From 2329fed82dd4ea4d68f1f8ab9eb82758a190ab09 Mon Sep 17 00:00:00 2001
From: Mike Henry <11765982+mikemhenry@users.noreply.github.com>
Date: Thu, 14 Sep 2023 14:16:07 -0700
Subject: [PATCH] 0.10.x merge into main (#1235)
MIME-Version: 1.0
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* run CI on new 0.10.x branch (#1212)

* run CI on new 0.10.x branch

* Update .github/workflows/CI.yaml

Co-authored-by: Iván Pulido <2949729+ijpulidos@users.noreply.github.com>

---------

Co-authored-by: Iván Pulido <2949729+ijpulidos@users.noreply.github.com>

* print perses version on startup (#1176)

* Update comments in `RESTCapableHybridTopologyFactory` (#1189)

* update comments

* bump ci

---------

Co-authored-by: Iván Pulido <2949729+ijpulidos@users.noreply.github.com>
Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com>

* use python executable from env (#1174)

* use python executable from env

* run tests using the shell

* parmed 4 seems to be giving us some issues

* actually I think we want the newer parmed

* pin pymbar for now

* ooof, parmed != pymbar

* add some more debugging to figure out how we are getting old parmed

* Update devtools/conda-envs/test_env.yaml

* see if shell=True fixes it

* removed parmed by mistake

* Support pymbar 4 (#1173)

* switch to using pymbar 3 & 4 support from openmmtools

* fix typo on import

* fix yaml

* switch to using pymbar 4

* missed a pymbar import

* missed another one

* bump ci

* missed a import

* go back to how it was

* Update devtools/conda-envs/test_env.yaml

---------

Co-authored-by: Iván Pulido <2949729+ijpulidos@users.noreply.github.com>

* Remove example testing (#1214)

* Store initial and final topologies for all phases -- small molecule pipeline (#1210)

* Initial and final topologies serialized per phase.

* Using properties instead of private attrs.

* Fix test

* Remove uneeded code/attributes

* bump ci

* Store phase topologies separately

* Fix tests. vacuum topologies expected.

* Better docstring.

---------

Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com>

* Improve docker building (#1200)

* Added note about example for adding oe license

* make docker file much simpler

* build images in CI

* forgot to add conda-forge

* fix permissions on a step

* get oe_license file mounted in docker container

* mount path must be absolute

* setup singulairty to test + fix testing on docker image

* add some testing deps to the image

* add -v for tests, fix envar

* tests are failing, want to test rest of pipeline

* use latest openmm version

* hardcode perses version for now

* bump ci

* make sure we can make openeye dir

* support a dev build as well

* don't hardcode value

* fix name clash

* forgot to add conda-forge

* bump ci

* test docker image and fix missing deps

* install ps

* also push latest tag

* don't build on tag since the conda-forge package won't exist yet

* don't test the examples

* Remove docker deb build, we can do these ourselves

* better document container use

* build a latest version for apptainer

* build with 11.2 to make things more compatable

* skip docker test to see if other bits build okay

* see if I can get the step to fail if there is an error

* skip docker tests to make sure apptainer builds okay

* Add mpiplus and mpi4py to docker image

* give correct path to oe license

* add mpi stuff to docker

* clean up diskspace before build

* skip tests for singularity now that the only failures come from a package bug

* Clean examples -- CLI protein-ligand example for Tyk2 (#1223)

* Improving examples dir structure and readme

* Adding Tyk2 CLI example

* removing new-cli/ripk2 example (deprecated)

* fix typo for link

* Clarify tyk2 cli example docs

* Realtime analysis interval to default to checkpoint interval (#1227)

* CI miscellaneous fixes (#1217)

* CI minor fixes. Allow codecov to fail.

* bump ci

---------

Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com>

* Changing offline freq default to checkpoint interval

* Fixing input yaml for example

* commenting offline-freq param

---------

Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com>

* MPI example with dipeptide mutation (#1228)

* peptide mutation MPI example added

* better documentation of motivation

* Fix/issue 1194 (#1230)

* set cutoff distance in sterics_custom_nonbonded_force

* matching cutoff for custom forces. Improving logic.

* test for HTF nonbonded cutoff

---------

Co-authored-by: Iván Pulido <2949729+ijpulidos@users.noreply.github.com>

* Fix/issue 1196 (#1229)

* CI miscellaneous fixes (#1217)

* CI minor fixes. Allow codecov to fail.

* bump ci

---------

Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com>

* added dels to contexts

* Update perses/app/setup_relative_calculation.py

---------

Co-authored-by: Iván Pulido <2949729+ijpulidos@users.noreply.github.com>

* Fix spectator support (#1233)

* fix spectator support. Enabling test.

* Test to run on GPU CI.

* pin <4 for pymbar on GPU

---------

Co-authored-by: Iván Pulido <2949729+ijpulidos@users.noreply.github.com>
Co-authored-by: Ivy Zhang <35546250+zhang-ivy@users.noreply.github.com>
---
 .github/workflows/CI.yaml                     |    2 +
 .github/workflows/docker.yaml                 |  164 +
 .github/workflows/self-hosted-gpu-test.yml    |    2 +
 devtools/conda-envs/test_env.yaml             |    4 +-
 docker/Dockerfile                             |   33 +
 docker/Dockerfile-dev                         |   45 -
 docker/Dockerfile-dev-cuda-11                 |   44 -
 docker/Dockerfile-dev-cuda-11-openmm-dev      |   45 -
 docker/Dockerfile-dev-cuda-9                  |   46 -
 docker/Dockerfile-nvidia-11                   |   49 -
 docker/Dockerfile-perses-0-10-0-nvidia-11-6-0 |   43 -
 docker/Dockerfile-perses-0-9-3-nvidia-11-6-0  |   43 -
 docker/README.md                              |   22 +-
 examples/README.md                            |   19 +-
 .../dipeptide-mutation-repex-rest/README.md   |   42 +
 .../dipeptide-mutation-repex-rest/configfile  |    2 +
 .../generate_htfs.py                          |   82 +
 .../dipeptide-mutation-repex-rest/hostfile    |    2 +
 .../run_repex.py                              |  113 +
 .../README.md                                 |    0
 .../run_example.py                            |    0
 examples/new-cli/README.md                    |  125 -
 examples/new-cli/analyze-benchmark.py         |  336 --
 examples/new-cli/ligands.sdf                  | 1881 -------
 examples/new-cli/ripk2_receptor.pdb           | 4533 ---------------
 examples/protein-ligand-repex/cli/README.md   |   24 +
 .../cli/protein-ligand.yaml}                  |   25 +-
 .../cli/scripts_utils}/cleanup.sh             |    0
 .../cli/scripts_utils}/run_star_map.sh        |    0
 .../cli/scripts_utils}/submit-dense-map.sh    |    4 +-
 .../scripts_utils/submit-star-map-serial.sh}  |    4 +-
 .../protein-ligand-repex/cli/tyk2_ligands.sdf | 2689 +++++++++
 .../protein-ligand-repex/cli/tyk2_protein.pdb | 4997 +++++++++++++++++
 .../cli/Tyk2_ligands_shifted.sdf              | 1356 -----
 examples/protein-ligand/cli/Tyk2_protein.pdb  | 4672 ---------------
 .../protein-ligand/cli/protein-ligand.yaml    |   79 -
 perses/analysis/analysis.py                   |    4 +-
 perses/analysis/fah_analysis.py               |    6 +-
 perses/annihilation/relative.py               |   60 +-
 perses/app/cli.py                             |    2 +
 perses/app/relative_hydration.py              |    6 +-
 perses/app/relative_setup.py                  |   94 +-
 perses/app/setup_relative_calculation.py      |   14 +-
 perses/dispersed/smc.py                       |    6 +-
 perses/dispersed/utils.py                     |    6 +-
 perses/tests/test_examples.py                 |   69 -
 perses/tests/test_relative.py                 |   46 +-
 perses/tests/test_relative_setup.py           |  110 +-
 perses/tests/utils.py                         |    8 +-
 49 files changed, 8430 insertions(+), 13528 deletions(-)
 create mode 100644 .github/workflows/docker.yaml
 create mode 100644 docker/Dockerfile
 delete mode 100644 docker/Dockerfile-dev
 delete mode 100644 docker/Dockerfile-dev-cuda-11
 delete mode 100644 docker/Dockerfile-dev-cuda-11-openmm-dev
 delete mode 100644 docker/Dockerfile-dev-cuda-9
 delete mode 100644 docker/Dockerfile-nvidia-11
 delete mode 100644 docker/Dockerfile-perses-0-10-0-nvidia-11-6-0
 delete mode 100644 docker/Dockerfile-perses-0-9-3-nvidia-11-6-0
 create mode 100644 examples/dipeptide-mutation-repex-rest/README.md
 create mode 100644 examples/dipeptide-mutation-repex-rest/configfile
 create mode 100644 examples/dipeptide-mutation-repex-rest/generate_htfs.py
 create mode 100644 examples/dipeptide-mutation-repex-rest/hostfile
 create mode 100644 examples/dipeptide-mutation-repex-rest/run_repex.py
 rename examples/{protein-neq-switching => dipeptide-neq-switching}/README.md (100%)
 rename examples/{protein-neq-switching => dipeptide-neq-switching}/run_example.py (100%)
 delete mode 100644 examples/new-cli/README.md
 delete mode 100644 examples/new-cli/analyze-benchmark.py
 delete mode 100644 examples/new-cli/ligands.sdf
 delete mode 100644 examples/new-cli/ripk2_receptor.pdb
 create mode 100644 examples/protein-ligand-repex/cli/README.md
 rename examples/{new-cli/template.yaml => protein-ligand-repex/cli/protein-ligand.yaml} (79%)
 rename examples/{new-cli => protein-ligand-repex/cli/scripts_utils}/cleanup.sh (100%)
 rename examples/{new-cli => protein-ligand-repex/cli/scripts_utils}/run_star_map.sh (100%)
 rename examples/{new-cli => protein-ligand-repex/cli/scripts_utils}/submit-dense-map.sh (94%)
 rename examples/{new-cli/submit-star-map.sh => protein-ligand-repex/cli/scripts_utils/submit-star-map-serial.sh} (93%)
 create mode 100644 examples/protein-ligand-repex/cli/tyk2_ligands.sdf
 create mode 100644 examples/protein-ligand-repex/cli/tyk2_protein.pdb
 delete mode 100644 examples/protein-ligand/cli/Tyk2_ligands_shifted.sdf
 delete mode 100644 examples/protein-ligand/cli/Tyk2_protein.pdb
 delete mode 100644 examples/protein-ligand/cli/protein-ligand.yaml
 delete mode 100644 perses/tests/test_examples.py

diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml
index 3b3abae13..dd072768d 100644
--- a/.github/workflows/CI.yaml
+++ b/.github/workflows/CI.yaml
@@ -5,12 +5,14 @@ on:
   pull_request:
     branches:
       - "main"
+      - "0.10.*"
   schedule:
     # nightly tests
     - cron: "0 0 * * *"
   push:
     branches:
       - main
+      - "0.10.x"
 
 concurrency:
   group: "${{ github.workflow }}-${{ github.ref }}"
diff --git a/.github/workflows/docker.yaml b/.github/workflows/docker.yaml
new file mode 100644
index 000000000..7b4730f6a
--- /dev/null
+++ b/.github/workflows/docker.yaml
@@ -0,0 +1,164 @@
+# This workflow uses actions that are not certified by GitHub.
+# They are provided by a third-party and are governed by
+# separate terms of service, privacy policy, and support
+# documentation.
+
+# GitHub recommends pinning actions to a commit SHA.
+# To get a newer version, you will need to update the SHA.
+# You can also reference a tag or branch, but the action may change without warning.
+
+name: Create and publish a Docker image
+
+on:
+  push:
+    branches:
+      - feat/improve_docker_building 
+  workflow_dispatch:
+
+defaults:
+  run:
+    shell: bash -l {0}
+
+env:
+  REGISTRY: ghcr.io
+  IMAGE_NAME: choderalab/perses
+
+jobs:
+  build-and-push-image:
+    runs-on: ubuntu-latest
+    permissions:
+      contents: read
+      packages: write
+
+    steps:
+      - name: Free disk space
+        run: |
+          run: |
+          sudo docker rmi $(docker image ls -aq) >/dev/null 2>&1 || true
+          sudo rm -rf \
+            /usr/share/dotnet /usr/local/lib/android /opt/ghc \
+            /usr/local/share/powershell /usr/share/swift /usr/local/.ghcup \
+            /usr/lib/jvm || true
+          echo "some directories deleted"
+          sudo apt install aptitude -y >/dev/null 2>&1
+          sudo aptitude purge aria2 ansible azure-cli shellcheck rpm xorriso zsync \
+            esl-erlang firefox gfortran-8 gfortran-9 google-chrome-stable \
+            google-cloud-sdk imagemagick \
+            libmagickcore-dev libmagickwand-dev libmagic-dev ant ant-optional kubectl \
+            mercurial apt-transport-https mono-complete libmysqlclient \
+            unixodbc-dev yarn chrpath libssl-dev libxft-dev \
+            libfreetype6 libfreetype6-dev libfontconfig1 libfontconfig1-dev \
+            snmp pollinate libpq-dev postgresql-client powershell ruby-full \
+            sphinxsearch subversion mongodb-org azure-cli microsoft-edge-stable \
+            -y -f >/dev/null 2>&1
+          sudo aptitude purge google-cloud-sdk -f -y >/dev/null 2>&1
+          sudo aptitude purge microsoft-edge-stable -f -y >/dev/null 2>&1 || true
+          sudo apt purge microsoft-edge-stable -f -y >/dev/null 2>&1 || true
+          sudo aptitude purge '~n ^mysql' -f -y >/dev/null 2>&1
+          sudo aptitude purge '~n ^php' -f -y >/dev/null 2>&1
+          sudo aptitude purge '~n ^dotnet' -f -y >/dev/null 2>&1
+          sudo apt-get autoremove -y >/dev/null 2>&1
+          sudo apt-get autoclean -y >/dev/null 2>&1
+          echo "some packages purged"
+
+      - name: Checkout repository
+        uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
+
+      - name: Get Latest Version
+        id: latest-version
+        run: |
+          LATEST_TAG=$(git describe --tags $(git rev-list --tags --max-count=1))
+          echo $LATEST_TAG
+          echo "LATEST_TAG=$LATEST_TAG" >> $GITHUB_OUTPUT
+          # In this case the version is the same as the latest_tag
+          VERSION=$LATEST_TAG
+          echo $VERSION
+          echo "VERSION=$VERSION" >> $GITHUB_OUTPUT
+
+      - name: Print Latest Version
+        run: echo ${{ steps.latest-version.outputs.VERSION }}
+
+      - name: Create fully qualified image registry path
+        id: fqirp
+        run: |
+          FQIRP=${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}:${{ steps.latest-version.outputs.VERSION }}
+          echo "FQIRP=$FQIRP" >> $GITHUB_OUTPUT
+
+      - name: Print FQIRP
+        run: echo ${{ steps.fqirp.outputs.FQIRP  }}
+
+      - name: Log in to the Container registry
+        uses: docker/login-action@f054a8b539a109f9f41c372932f1ae047eff08c9
+        with:
+          registry: ${{ env.REGISTRY }}
+          username: ${{ github.actor }}
+          password: ${{ secrets.GITHUB_TOKEN }}
+
+      - name: Extract metadata (tags, labels) for Docker
+        id: meta
+        uses: docker/metadata-action@98669ae865ea3cffbcbaa878cf57c20bbf1c6c38
+        with:
+          images: ${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}
+          tags: |
+            type=schedule,pattern=nightly,enable=true,priority=1000
+            type=ref,event=branch,enable=true,priority=600
+            type=ref,event=tag,enable=true,priority=600
+            type=ref,event=pr,prefix=pr-,enable=true,priority=600
+            type=semver,pattern={{major}}.{{minor}}
+            type=semver,pattern={{version}}
+            type=sha
+            ${{ steps.latest-version.outputs.VERSION }}
+            latest
+
+      - name: Build and export to Docker
+        uses: docker/build-push-action@v4
+        with:
+          context: .
+          file: docker/Dockerfile
+          load: true
+          push: false
+          tags: ${{ steps.meta.outputs.tags }}
+          labels: ${{ steps.meta.outputs.labels }}
+          build-args: |
+            VERSION=${{ steps.latest-version.outputs.VERSION }}
+
+      - name: Test image
+        run: |
+          mkdir oe_license_dir
+          # Write out license to a file
+          echo "${{ secrets.OE_LICENSE }}" > oe_license_dir/oe_license.txt
+          docker run --rm ${{ steps.fqirp.outputs.FQIRP }} perses-cli --help
+          # Mount oe_license_dir (which should have the license file) to /openeye on container for testing
+          #docker run -e GITHUB_ACTIONS=true --mount type=bind,source=$PWD/oe_license_dir/,target=/openeye/,readonly --rm ${{ steps.fqirp.outputs.FQIRP }} pytest --pyargs perses -a "not advanced" -n auto -m "not gpu_needed" -v
+
+      - name: Push Docker image
+        uses: docker/build-push-action@ad44023a93711e3deb337508980b4b5e9bcdc5dc
+        with:
+          context: .
+          file: docker/Dockerfile
+          push: true
+          tags: ${{ steps.meta.outputs.tags }}
+          labels: ${{ steps.meta.outputs.labels }}
+          build-args: |
+            VERSION=${{ steps.latest-version.outputs.VERSION }}
+
+      - name: Setup Apptainer
+        uses: eWaterCycle/setup-apptainer@v2
+        with:
+          apptainer-version: 1.1.2
+
+      - name: Build Apptainer Image
+        run: singularity build perses_${{ steps.latest-version.outputs.VERSION }}.sif docker-daemon:${{ steps.fqirp.outputs.FQIRP }}
+
+      - name: Test & Push Apptainer Image
+        run: |
+          set -e 
+          mkdir test_apptainer
+          cd test_apptainer
+          singularity run ../perses_${{ steps.latest-version.outputs.VERSION }}.sif perses-cli --help
+          #singularity run --bind ../oe_license_dir/:/openeye/ --env "GITHUB_ACTIONS=true" ../perses_${{ steps.latest-version.outputs.VERSION }}.sif pytest --pyargs perses -a "not advanced" -n auto -m "not gpu_needed" -v
+          echo ${{ secrets.GITHUB_TOKEN }} | singularity remote login -u ${{ secrets.GHCR_USERNAME }} --password-stdin oras://ghcr.io
+          singularity push ../perses_${{ steps.latest-version.outputs.VERSION }}.sif oras://${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}:${{ steps.latest-version.outputs.VERSION }}-apptainer
+          singularity push ../perses_${{ steps.latest-version.outputs.VERSION }}.sif oras://${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}:latest-apptainer
diff --git a/.github/workflows/self-hosted-gpu-test.yml b/.github/workflows/self-hosted-gpu-test.yml
index 55986fa38..a05cb6f96 100644
--- a/.github/workflows/self-hosted-gpu-test.yml
+++ b/.github/workflows/self-hosted-gpu-test.yml
@@ -3,6 +3,7 @@ on:
   push:
     branches:
       - main
+      - "0.10.x"
   workflow_dispatch:
   schedule:
     # nightly tests
@@ -68,6 +69,7 @@ jobs:
             python==3.9
             openmm>=8.0
             cudatoolkit==11.7
+            pymbar<4
       
       - name: Additional info about the build
         run: |
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index d2f3a1117..72deaa087 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -30,11 +30,11 @@ dependencies:
   - openmmforcefields >=0.9.0
   - openmmtools >=0.23 # may need to sort out ambermini/ambertools/parmed dependencies
   - openmoltools # may need to sort out ambermini/ambertools/parmed dependencies (we don't want ambertools)
-  - parmed # may need to sort out ambermini/ambertools/parmed dependencies
+  - parmed
   - pdbfixer
   - pip
   - progressbar2
-  - pymbar <4
+  - pymbar
   - pytest
   - pytest-attrib
   - pytest-cov
diff --git a/docker/Dockerfile b/docker/Dockerfile
new file mode 100644
index 000000000..d5ae91d9d
--- /dev/null
+++ b/docker/Dockerfile
@@ -0,0 +1,33 @@
+FROM mambaorg/micromamba:latest
+
+LABEL org.opencontainers.image.source = "https://github.com/choderalab/perses"
+LABEL org.opencontainers.image.description="Experiments with expanded ensemble simulation to explore chemical and mutational space."
+LABEL org.opencontainers.image.authors = "John D. Chodera"
+LABEL org.opencontainers.image.licenses=MIT
+# perses version we want to build
+ARG VERSION
+
+# install ps
+USER root
+RUN apt-get update && apt-get install -y --no-install-recommends \
+    procps \
+    && rm -rf /var/lib/apt/lists/*
+USER $MAMBA_USER
+
+# Don't buffer stdout & stderr streams, so if there is a crash no partial buffer output is lost
+# https://docs.python.org/3/using/cmdline.html#cmdoption-u
+ENV PYTHONUNBUFFERED=1
+
+RUN micromamba install -y -n base -c conda-forge -c openeye openeye-toolkits git pytest-xdist pytest-attrib mpiplus mpich mpi mpi4py clusterutils  "perses==$VERSION" cudatoolkit=11.2 && \
+    micromamba clean --all --yes
+
+# Make directory and tell openeye where to find
+# license file
+USER root
+RUN mkdir /openeye
+USER $MAMBA_USER
+ENV OE_LICENSE=/openeye/oe_license.txt
+
+# Ensure that conda environment is automatically activated
+# https://github.com/mamba-org/micromamba-docker#running-commands-in-dockerfile-within-the-conda-environment
+ARG MAMBA_DOCKERFILE_ACTIVATE=1
diff --git a/docker/Dockerfile-dev b/docker/Dockerfile-dev
deleted file mode 100644
index 51ca228d2..000000000
--- a/docker/Dockerfile-dev
+++ /dev/null
@@ -1,45 +0,0 @@
-FROM nvidia/cuda:11.6.0-runtime-ubuntu20.04
-
-# Use bash for all RUN directives
-SHELL ["/bin/bash", "-c"]
-
-# Install wget and update OS packages
-RUN apt update && \
-    apt upgrade -y && \
-    apt install -y wget git && \ 
-    apt autoremove -y && \
-    rm -rf /var/lib/apt/lists/*
-
-# Set language to make apk happy
-ENV LANG=C.UTF-8 LC_ALL=C.UTF-8
-# Name of conda env
-# We use base so we don't have to remember to
-# activate it
-ENV ENV_NAME="base"
-# Location of conda install
-ENV MAMBA_ROOT_PREFIX="/opt/conda"
-# Set home dir
-ENV HOME="/home/micromamba"
-# Tell bash which rc file to use
-ENV BASH_ENV="$HOME/.bashrc"
-# Ensure mamba installed binaries are in path
-ENV PATH "$MAMBA_ROOT_PREFIX/bin:$PATH"
-
-# Instead of using conda which is slow,
-# We will use micromamba which is fast
-# and quick to install and works like conda
-# See https://github.com/mamba-org/mamba#micromamba for more details
-RUN wget -qO- https://micromamba.snakepit.net/api/micromamba/linux-64/latest | tar -xvj bin/micromamba && \
-    mkdir -p "$HOME" && \
-    ./bin/micromamba shell init -s bash -p "$MAMBA_ROOT_PREFIX" && \
-    echo "micromamba activate $ENV_NAME" >> "$BASH_ENV" && \
-    chmod -R a+rwx "$HOME" "$BASH_ENV" "$MAMBA_ROOT_PREFIX" && \
-    micromamba install -n "$ENV_NAME" -c jaimergp/label/unsupported-cudatoolkit-shim -c conda-forge -c openeye --strict-channel-priority --yes python==3.9 rich click perses==0.9.5 openeye-toolkits && \
-    micromamba clean -a && \
-    python -m pip install git+https://github.com/choderalab/perses.git@main && \
-    python -c "import perses; print(perses.__version__)"
-
-# Make directory and tell openeye where to find
-# license file
-RUN mkdir /openeye
-ENV OE_LICENSE=/openeye/oe_license.txt
diff --git a/docker/Dockerfile-dev-cuda-11 b/docker/Dockerfile-dev-cuda-11
deleted file mode 100644
index 1b184def7..000000000
--- a/docker/Dockerfile-dev-cuda-11
+++ /dev/null
@@ -1,44 +0,0 @@
-FROM nvidia/cuda:11.7.0-runtime-ubuntu20.04
-
-# Use bash for all RUN directives
-SHELL ["/bin/bash", "-c"]
-# Install wget and update OS packages
-RUN apt update && \
-    apt upgrade -y && \
-    apt install -y wget git bzip2 && \ 
-    apt autoremove -y && \
-    rm -rf /var/lib/apt/lists/*
-
-# Set language to make apk happy
-ENV LANG=C.UTF-8 LC_ALL=C.UTF-8
-# Name of conda env
-# We use base so we don't have to remember to
-# activate it
-ENV ENV_NAME="base"
-# Location of conda install
-ENV MAMBA_ROOT_PREFIX="/opt/conda"
-# Set home dir
-ENV HOME="/home/micromamba"
-# Tell bash which rc file to use
-ENV BASH_ENV="$HOME/.bashrc"
-# Ensure mamba installed binaries are in path
-ENV PATH "$MAMBA_ROOT_PREFIX/bin:$PATH"
-
-# Instead of using conda which is slow,
-# We will use micromamba which is fast
-# and quick to install and works like conda
-# See https://github.com/mamba-org/mamba#micromamba for more details
-RUN wget -qO- https://micromamba.snakepit.net/api/micromamba/linux-64/latest | tar -xvj bin/micromamba && \
-    mkdir -p "$HOME" && \
-    ./bin/micromamba shell init -s bash -p "$MAMBA_ROOT_PREFIX" && \
-    echo "micromamba activate $ENV_NAME" >> "$BASH_ENV" && \
-    chmod -R a+rwx "$HOME" "$BASH_ENV" "$MAMBA_ROOT_PREFIX" && \
-    micromamba install -n "$ENV_NAME" -c jaimergp/label/unsupported-cudatoolkit-shim -c conda-forge -c openeye --strict-channel-priority --yes python==3.9 cloudpathlib-all rich click perses==0.10.1 openeye-toolkits && \
-    micromamba clean -a && \
-    python -m pip install git+https://github.com/choderalab/perses.git@feat/enable_cloud_io && \
-    python -c "import perses; print(perses.__version__)"
-
-# Make directory and tell openeye where to find
-# license file
-RUN mkdir /openeye
-ENV OE_LICENSE=/openeye/oe_license.txt
diff --git a/docker/Dockerfile-dev-cuda-11-openmm-dev b/docker/Dockerfile-dev-cuda-11-openmm-dev
deleted file mode 100644
index ef1e69c4a..000000000
--- a/docker/Dockerfile-dev-cuda-11-openmm-dev
+++ /dev/null
@@ -1,45 +0,0 @@
-FROM nvidia/cuda:11.6.0-devel-ubuntu20.04
-
-# Use bash for all RUN directives
-SHELL ["/bin/bash", "-c"]
-# Install wget and update OS packages
-RUN apt update && \
-    apt upgrade -y && \
-    apt install -y wget git bzip2 && \ 
-    apt autoremove -y && \
-    rm -rf /var/lib/apt/lists/*
-
-# Set language to make apk happy
-ENV LANG=C.UTF-8 LC_ALL=C.UTF-8
-# Name of conda env
-# We use base so we don't have to remember to
-# activate it
-ENV ENV_NAME="base"
-# Location of conda install
-ENV MAMBA_ROOT_PREFIX="/opt/conda"
-# Set home dir
-ENV HOME="/home/micromamba"
-# Tell bash which rc file to use
-ENV BASH_ENV="$HOME/.bashrc"
-# Ensure mamba installed binaries are in path
-ENV PATH="$MAMBA_ROOT_PREFIX/bin:$PATH"
-# Make sure to set the CUDA version we want
-ENV CONDA_OVERRIDE_CUDA=11.0
-# Instead of using conda which is slow,
-# We will use micromamba which is fast
-# and quick to install and works like conda
-# See https://github.com/mamba-org/mamba#micromamba for more details
-RUN wget -qO- https://micromamba.snakepit.net/api/micromamba/linux-64/latest | tar -xvj bin/micromamba && \
-    mkdir -p "$HOME" && \
-    ./bin/micromamba shell init -s bash -p "$MAMBA_ROOT_PREFIX" && \
-    echo "micromamba activate $ENV_NAME" >> "$BASH_ENV" && \
-    chmod -R a+rwx "$HOME" "$BASH_ENV" "$MAMBA_ROOT_PREFIX" && \
-    micromamba install -n "$ENV_NAME" -c omnia-dev/label/cuda110 -c jaimergp/label/unsupported-cudatoolkit-shim -c conda-forge -c openeye --strict-channel-priority --yes python==3.9 cloudpathlib-all rich click perses==0.10.1 openeye-toolkits && \
-    micromamba clean -a && \
-    python -m pip install git+https://github.com/choderalab/perses.git@main && \
-    python -c "import perses; print(perses.__version__)" && \
-    python -c "import openmm; print(openmm.version.git_revision)"
-# Make directory and tell openeye where to find
-# license file
-RUN mkdir /openeye
-ENV OE_LICENSE=/openeye/oe_license.txt
diff --git a/docker/Dockerfile-dev-cuda-9 b/docker/Dockerfile-dev-cuda-9
deleted file mode 100644
index e470783b7..000000000
--- a/docker/Dockerfile-dev-cuda-9
+++ /dev/null
@@ -1,46 +0,0 @@
-FROM nvidia/cuda:9.0-runtime-ubuntu16.04
-
-# Use bash for all RUN directives
-SHELL ["/bin/bash", "-c"]
-RUN rm /etc/apt/sources.list.d/cuda.list
-RUN rm /etc/apt/sources.list.d/nvidia-ml.list
-# Install wget and update OS packages
-RUN apt update && \
-    apt upgrade -y && \
-    apt install -y wget git bzip2 && \ 
-    apt autoremove -y && \
-    rm -rf /var/lib/apt/lists/*
-
-# Set language to make apk happy
-ENV LANG=C.UTF-8 LC_ALL=C.UTF-8
-# Name of conda env
-# We use base so we don't have to remember to
-# activate it
-ENV ENV_NAME="base"
-# Location of conda install
-ENV MAMBA_ROOT_PREFIX="/opt/conda"
-# Set home dir
-ENV HOME="/home/micromamba"
-# Tell bash which rc file to use
-ENV BASH_ENV="$HOME/.bashrc"
-# Ensure mamba installed binaries are in path
-ENV PATH "$MAMBA_ROOT_PREFIX/bin:$PATH"
-
-# Instead of using conda which is slow,
-# We will use micromamba which is fast
-# and quick to install and works like conda
-# See https://github.com/mamba-org/mamba#micromamba for more details
-RUN wget -qO- https://micromamba.snakepit.net/api/micromamba/linux-64/latest | tar -xvj bin/micromamba && \
-    mkdir -p "$HOME" && \
-    ./bin/micromamba shell init -s bash -p "$MAMBA_ROOT_PREFIX" && \
-    echo "micromamba activate $ENV_NAME" >> "$BASH_ENV" && \
-    chmod -R a+rwx "$HOME" "$BASH_ENV" "$MAMBA_ROOT_PREFIX" && \
-    micromamba install -n "$ENV_NAME" -c jaimergp/label/unsupported-cudatoolkit-shim -c conda-forge -c openeye --strict-channel-priority --yes python==3.9 cloudpathlib-all rich click perses==0.10.1 openeye-toolkits && \
-    micromamba clean -a && \
-    python -m pip install git+https://github.com/choderalab/perses.git@feat/enable_cloud_io && \
-    python -c "import perses; print(perses.__version__)"
-
-# Make directory and tell openeye where to find
-# license file
-RUN mkdir /openeye
-ENV OE_LICENSE=/openeye/oe_license.txt
diff --git a/docker/Dockerfile-nvidia-11 b/docker/Dockerfile-nvidia-11
deleted file mode 100644
index 4243d99d1..000000000
--- a/docker/Dockerfile-nvidia-11
+++ /dev/null
@@ -1,49 +0,0 @@
-FROM nvidia/cuda:11.2.2-runtime-ubuntu20.04
-
-# metainformation
-LABEL org.opencontainers.image.version = "0.10.1"
-LABEL org.opencontainers.image.authors = "John D. Chodera"
-LABEL org.opencontainers.image.source = "https://github.com/choderalab/perses"
-LABEL org.opencontainers.image.licenses = "MIT"
-
-# Use bash for all RUN directives
-SHELL ["/bin/bash", "-c"]
-
-# Install wget and update OS packages
-RUN apt update && \
-    apt upgrade -y && \
-    apt install -y wget && \ 
-    apt autoremove -y && \
-    rm -rf /var/lib/apt/lists/*
-
-# Set language to make apk happy
-ENV LANG=C.UTF-8 LC_ALL=C.UTF-8
-# Name of conda env
-# We use base so we don't have to remember to
-# activate it
-ENV ENV_NAME="base"
-# Location of conda install
-ENV MAMBA_ROOT_PREFIX="/opt/conda"
-# Set home dir
-ENV HOME="/home/micromamba"
-# Tell bash which rc file to use
-ENV BASH_ENV="$HOME/.bashrc"
-# Ensure mamba installed binaries are in path
-ENV PATH "$MAMBA_ROOT_PREFIX/bin:$PATH"
-
-# Instead of using conda which is slow,
-# We will use micromamba which is fast
-# and quick to install and works like conda
-# See https://github.com/mamba-org/mamba#micromamba for more details
-RUN wget -qO- https://micromamba.snakepit.net/api/micromamba/linux-64/latest | tar -xvj bin/micromamba && \
-    mkdir -p "$HOME" && \
-    ./bin/micromamba shell init -s bash -p "$MAMBA_ROOT_PREFIX" && \
-    echo "micromamba activate $ENV_NAME" >> "$BASH_ENV" && \
-    chmod -R a+rwx "$HOME" "$BASH_ENV" "$MAMBA_ROOT_PREFIX" && \
-    micromamba install -n "$ENV_NAME" -c jaimergp/label/unsupported-cudatoolkit-shim -c conda-forge -c openeye --strict-channel-priority --yes perses==0.9.2 openeye-toolkits && \
-    micromamba clean -a
-
-# Make directory and tell openeye where to find
-# license file
-RUN mkdir /openeye
-ENV OE_LICENSE=/openeye/oe_license.txt
diff --git a/docker/Dockerfile-perses-0-10-0-nvidia-11-6-0 b/docker/Dockerfile-perses-0-10-0-nvidia-11-6-0
deleted file mode 100644
index 1874f3c70..000000000
--- a/docker/Dockerfile-perses-0-10-0-nvidia-11-6-0
+++ /dev/null
@@ -1,43 +0,0 @@
-FROM nvidia/cuda:11.6.0-runtime-ubuntu20.04
-
-# Use bash for all RUN directives
-SHELL ["/bin/bash", "-c"]
-
-# Install wget and update OS packages
-RUN apt update && \
-    apt upgrade -y && \
-    apt install -y wget && \ 
-    apt autoremove -y && \
-    rm -rf /var/lib/apt/lists/*
-
-# Set language to make apk happy
-ENV LANG=C.UTF-8 LC_ALL=C.UTF-8
-# Name of conda env
-# We use base so we don't have to remember to
-# activate it
-ENV ENV_NAME="base"
-# Location of conda install
-ENV MAMBA_ROOT_PREFIX="/opt/conda"
-# Set home dir
-ENV HOME="/home/micromamba"
-# Tell bash which rc file to use
-ENV BASH_ENV="$HOME/.bashrc"
-# Ensure mamba installed binaries are in path
-ENV PATH "$MAMBA_ROOT_PREFIX/bin:$PATH"
-
-# Instead of using conda which is slow,
-# We will use micromamba which is fast
-# and quick to install and works like conda
-# See https://github.com/mamba-org/mamba#micromamba for more details
-RUN wget -qO- https://micromamba.snakepit.net/api/micromamba/linux-64/latest | tar -xvj bin/micromamba && \
-    mkdir -p "$HOME" && \
-    ./bin/micromamba shell init -s bash -p "$MAMBA_ROOT_PREFIX" && \
-    echo "micromamba activate $ENV_NAME" >> "$BASH_ENV" && \
-    chmod -R a+rwx "$HOME" "$BASH_ENV" "$MAMBA_ROOT_PREFIX" && \
-    micromamba install -n "$ENV_NAME" -c jaimergp/label/unsupported-cudatoolkit-shim -c conda-forge -c openeye --strict-channel-priority --yes perses==0.10.0 openmmtools==0.21.4 openeye-toolkits && \
-    micromamba clean -a
-
-# Make directory and tell openeye where to find
-# license file
-RUN mkdir /openeye
-ENV OE_LICENSE=/openeye/oe_license.txt
diff --git a/docker/Dockerfile-perses-0-9-3-nvidia-11-6-0 b/docker/Dockerfile-perses-0-9-3-nvidia-11-6-0
deleted file mode 100644
index f0cccff8b..000000000
--- a/docker/Dockerfile-perses-0-9-3-nvidia-11-6-0
+++ /dev/null
@@ -1,43 +0,0 @@
-FROM nvidia/cuda:11.6.0-runtime-ubuntu20.04
-
-# Use bash for all RUN directives
-SHELL ["/bin/bash", "-c"]
-
-# Install wget and update OS packages
-RUN apt update && \
-    apt upgrade -y && \
-    apt install -y wget && \ 
-    apt autoremove -y && \
-    rm -rf /var/lib/apt/lists/*
-
-# Set language to make apk happy
-ENV LANG=C.UTF-8 LC_ALL=C.UTF-8
-# Name of conda env
-# We use base so we don't have to remember to
-# activate it
-ENV ENV_NAME="base"
-# Location of conda install
-ENV MAMBA_ROOT_PREFIX="/opt/conda"
-# Set home dir
-ENV HOME="/home/micromamba"
-# Tell bash which rc file to use
-ENV BASH_ENV="$HOME/.bashrc"
-# Ensure mamba installed binaries are in path
-ENV PATH "$MAMBA_ROOT_PREFIX/bin:$PATH"
-
-# Instead of using conda which is slow,
-# We will use micromamba which is fast
-# and quick to install and works like conda
-# See https://github.com/mamba-org/mamba#micromamba for more details
-RUN wget -qO- https://micromamba.snakepit.net/api/micromamba/linux-64/latest | tar -xvj bin/micromamba && \
-    mkdir -p "$HOME" && \
-    ./bin/micromamba shell init -s bash -p "$MAMBA_ROOT_PREFIX" && \
-    echo "micromamba activate $ENV_NAME" >> "$BASH_ENV" && \
-    chmod -R a+rwx "$HOME" "$BASH_ENV" "$MAMBA_ROOT_PREFIX" && \
-    micromamba install -n "$ENV_NAME" -c jaimergp/label/unsupported-cudatoolkit-shim -c conda-forge -c openeye --strict-channel-priority --yes perses==0.9.3 openeye-toolkits && \
-    micromamba clean -a
-
-# Make directory and tell openeye where to find
-# license file
-RUN mkdir /openeye
-ENV OE_LICENSE=/openeye/oe_license.txt
diff --git a/docker/README.md b/docker/README.md
index f0f023bf1..7e6848791 100644
--- a/docker/README.md
+++ b/docker/README.md
@@ -1,6 +1,6 @@
 # Perses Container
 
-The container can be downloaded with `docker pull choderalab/perses:0.9.2`
+The container can be downloaded with `docker pull ghcr.io/choderalab/perses:latest`
 
 ## OpenEye License
 
@@ -11,15 +11,19 @@ To do that use the `--mount` option.
 For example, if you have an `oe_license.txt` file in `$HOME/.OpenEye/`.
 
 ```
-$ docker run --rm --mount type=bind,source=$HOME/.OpenEye/,target=/openeye/,readonly choderalab/perses:0.9.2 python -c "import openeye; assert openeye.oechem.OEChemIsLicensed(), 'OpenEye license checks failed!'"
+$ docker run --rm --mount type=bind,source=$HOME/.OpenEye/,target=/openeye/,readonly ghcr.io/choderalab/perses:latest python -c "import openeye; assert openeye.oechem.OEChemIsLicensed(), 'OpenEye license checks failed!'"
 ```
 
+There is also an example file `Dockerfile-add-license` if you want to build a new container with the openeye license file inside it.
+If you use this method, be sure to push the container to private locations only. 
+Anyone with access to the container can extract the license. 
+
 ## GPU Support
 
 Pass the option `--gpus device=0` to use the host's GPU:
 
 ```
-$ docker run -it --rm --gpus device=0 --mount type=bind,source=$HOME/.OpenEye/,target=/openeye/,readonly choderalab/perses:0.9.2 python -m simtk.testInstallation
+$ docker run -it --rm --gpus device=0 --mount type=bind,source=$HOME/.OpenEye/,target=/openeye/,readonly ghcr.io/choderalab/perses:latest python -m simtk.testInstallation
 OpenMM Version: 7.5.1
 Git Revision: a9cfd7fb9343e21c3dbb76e377c721328830a3ee
 
@@ -40,6 +44,18 @@ All differences are within tolerance.
 Note: `perses` currently works best on a single GPU. 
 See the documentation [here](https://docs.docker.com/config/containers/resource_constraints/#access-an-nvidia-gpu) for how to specify a single GPU on a multi-GPU system.
 
+## Apptainer (formally singularity) image
+
+The apptainer image is pre-built and can be pulled with:
+
+singularity pull oras://ghcr.io/choderalab/perses:latest-apptainer
+
+And can be used like:
+
+```
+$ singularity run --nv perses_latest-apptainer.sif python -m openmm.testInstallation
+```
+
 ## Running perses examples from the container in GPUs using CUDA
 
 If you plan to use our docker container and CUDA/GPUs, quick instructions to get the examples running are as follows.
diff --git a/examples/README.md b/examples/README.md
index 5d59b071b..0ed93151d 100644
--- a/examples/README.md
+++ b/examples/README.md
@@ -1,11 +1,16 @@
 Examples
 ========
-This directory contains examples of expanded ensemble simulations using various methods.
+This directory contains examples of the different modules in perses that can are used expanded
+ensemble simulations using various methods.
 
-Example types
--------------
-* rjmc - Examples using the Reversible Jump MCMC framework
+Subdirectories
+--------------
+The examples are organized in subdirectories as follows. More information on each example in the `README` files inside
+each subdirectory.
 
-* multitopology - Examples which use the multitopology-based framework
-
-* dualtopology - Examples using dual topology tools
+* [`atom-mapping`](atom-mapping) - Notebooks and script with examples on how to use perses atom mapping capabilities.
+* [`barnase-barstar-neq-switching`](barnase-barstar-neq-switching) - FE estimate using NEQ switching in protein:protein barnase-barnase complex.
+* [`dipeptide-neq-switching`](dipeptide-neq-switching) - Alanine dipeptide mutation using NEQ switching.
+* [`kinase-neq-switching`](kinase-neq-switching) - NTKR1 kinase protein-ligand FE simulation using NEQ cycling
+* [`moonshot-mainseries`](moonshot-mainseries) - Scripts used to prepare simulations to run with perses CLI for the COVID Moonshot
+* [`protein-ligand-repex`](protein-ligand-repex) - Tyk2 protein-ligand benchmark Replica Exchange simulation examples, using perses CLI.
\ No newline at end of file
diff --git a/examples/dipeptide-mutation-repex-rest/README.md b/examples/dipeptide-mutation-repex-rest/README.md
new file mode 100644
index 000000000..3121fc168
--- /dev/null
+++ b/examples/dipeptide-mutation-repex-rest/README.md
@@ -0,0 +1,42 @@
+# Barnase-Barstar protein-protein interaction example
+
+This example is based on the tools and work by Ivy Zhang in https://pubs.acs.org/doi/full/10.1021/acs.jctc.3c00333
+
+More info: https://github.com/choderalab/perses-barnase-barstar-paper
+
+## How to run
+
+This example assumes that you will be running on an HPC infrastructure using MPI, running with
+multiple GPUs.
+
+### Why MPI?
+
+Sampling protein-protein interactions for Free Energy calculations is a very computationally costly task, by
+parallelizing the replica propagation (lambda windows) using MPI and multiple GPUs a higher throughput can be
+achieved.
+
+### Running environment
+
+Make sure your environment has a `mpiplus` and `mpi4py` installed in your environment, besides of `perses`.
+
+### Pipeline
+
+Please note that in order to run in an MPI environment we have to separate the generation of the Hybrid Topology
+with respect to the actual computation parts of the repex algorithm.
+
+1. Generate HTFs with
+```bash
+python generate_htfs.py ala_vacuum.pdb 2 THR results_dir
+```
+Input pdb file can be found in https://github.com/choderalab/perses/blob/main/perses/data/ala_vacuum.pdb .
+Please download the files from the mentioned URL to run this command.
+
+
+
+2. Run with MPI (same host with 2 different GPUs) using
+```bash
+mpiexec -f hostfile -configfile configfile
+```
+you may need to adapt the command and the `hostfile` and `configfile` to your MPI environment. We have
+previously prepared the config files for practical purposes. How to set up an MPI environment and files
+is beyond the scope of this example.
diff --git a/examples/dipeptide-mutation-repex-rest/configfile b/examples/dipeptide-mutation-repex-rest/configfile
new file mode 100644
index 000000000..e857a8b47
--- /dev/null
+++ b/examples/dipeptide-mutation-repex-rest/configfile
@@ -0,0 +1,2 @@
+-np 1 -env CUDA_VISIBLE_DEVICES 0 run_repex.py results_dir solvent 36 10000 300
+-np 1 -env CUDA_VISIBLE_DEVICES 1 run_repex.py results_dir solvent 36 10000 300
diff --git a/examples/dipeptide-mutation-repex-rest/generate_htfs.py b/examples/dipeptide-mutation-repex-rest/generate_htfs.py
new file mode 100644
index 000000000..8a0c936b0
--- /dev/null
+++ b/examples/dipeptide-mutation-repex-rest/generate_htfs.py
@@ -0,0 +1,82 @@
+import os
+import pickle
+import argparse
+from pathlib import Path
+
+import openmm
+from openmm import unit, app
+from perses.app.relative_point_mutation_setup import PointMutationExecutor
+from perses.utils.smallmolecules import  render_protein_residue_atom_mapping
+
+# Read args
+parser = argparse.ArgumentParser(description='run equilibration')
+parser.add_argument('input_filename', type=str, help='protein file')
+parser.add_argument('resid', type=str, help='residue id')
+parser.add_argument('mutant_aa', type=str, help='amino acid to mutate to')
+parser.add_argument('outdir', type=str, help='output directory')
+parser.add_argument('--ligand_input', type=str, help='ligand input file')
+parser.add_argument('--is_vacuum', action='store_true', help='whether to generate a vacuum htf')
+parser.add_argument('--old_residue', type=str, help='old residue nonstandard name')
+args = parser.parse_args()
+
+# Set parameters for input to `PointMutationExecutor`
+forcefield_files = ['amber14/protein.ff14SB.xml', 'amber14/tip3p.xml']
+forcefield_kwargs = {'removeCMMotion': False, 'constraints' : app.HBonds, 'rigidWater': True, 'hydrogenMass' : 3 * unit.amus}
+
+if not args.is_vacuum:
+    is_vacuum = False
+    is_solvated = True
+    barostat = openmm.MonteCarloBarostat(1.0 * unit.atmosphere, 300 * unit.kelvin, 50)
+    periodic_forcefield_kwargs = {'nonbondedMethod': app.PME, 'ewaldErrorTolerance': 0.00025}
+    nonperiodic_forcefield_kwargs = None
+else:
+    is_vacuum = True
+    is_solvated = False
+    barostat = None
+    periodic_forcefield_kwargs = None
+    nonperiodic_forcefield_kwargs = {'nonbondedMethod': app.NoCutoff}
+
+conduct_endstate_validation = False
+w_lifting = 0.3 * unit.nanometer
+generate_unmodified_hybrid_topology_factory = False
+generate_rest_capable_hybrid_topology_factory = True
+
+# Generate htfs
+solvent_delivery = PointMutationExecutor(args.input_filename,
+                        '1',
+                        args.resid,
+                        args.mutant_aa,
+                        old_residue=args.old_residue,
+                        is_vacuum=is_vacuum,
+                        is_solvated=is_solvated,
+                        forcefield_files=forcefield_files,
+                        barostat=barostat,
+                        forcefield_kwargs=forcefield_kwargs,
+                        periodic_forcefield_kwargs=periodic_forcefield_kwargs,
+                        nonperiodic_forcefield_kwargs=nonperiodic_forcefield_kwargs,
+                        conduct_endstate_validation=conduct_endstate_validation,
+                        w_lifting=w_lifting,
+                        generate_unmodified_hybrid_topology_factory=generate_unmodified_hybrid_topology_factory,
+                        generate_rest_capable_hybrid_topology_factory=generate_rest_capable_hybrid_topology_factory
+                       )
+
+# Saving htfs as pickles
+print("Saving htfs as pickles")
+apo_rest_htf = solvent_delivery.get_apo_rest_htf()
+phase = 'vacuum' if args.is_vacuum else 'apo'
+
+results_dir = args.outdir
+
+if not os.path.exists(results_dir):
+    os.makedirs(results_dir)
+with open(os.path.join(args.outdir, f"htf_{phase}.pickle"), "wb") as f:
+    pickle.dump(apo_rest_htf, f)
+
+# Render atom map
+atom_map_filename = f'{args.outdir}/atom_map.png'
+render_protein_residue_atom_mapping(apo_rest_htf._topology_proposal, atom_map_filename)
+
+# Save pdbs
+app.PDBFile.writeFile(apo_rest_htf._topology_proposal.old_topology, apo_rest_htf.old_positions(apo_rest_htf.hybrid_positions), open(os.path.join(results_dir, f"{phase}_old.pdb"), "w"), keepIds=True)
+app.PDBFile.writeFile(apo_rest_htf._topology_proposal.new_topology, apo_rest_htf.new_positions(apo_rest_htf.hybrid_positions), open(os.path.join(results_dir, f"{phase}_new.pdb"), "w"), keepIds=True)
+
diff --git a/examples/dipeptide-mutation-repex-rest/hostfile b/examples/dipeptide-mutation-repex-rest/hostfile
new file mode 100644
index 000000000..4114e2510
--- /dev/null
+++ b/examples/dipeptide-mutation-repex-rest/hostfile
@@ -0,0 +1,2 @@
+node1
+node1
diff --git a/examples/dipeptide-mutation-repex-rest/run_repex.py b/examples/dipeptide-mutation-repex-rest/run_repex.py
new file mode 100644
index 000000000..335f479ba
--- /dev/null
+++ b/examples/dipeptide-mutation-repex-rest/run_repex.py
@@ -0,0 +1,113 @@
+import os
+import pickle
+import argparse
+import logging
+from pathlib import Path
+
+from simtk import openmm
+from simtk.openmm import unit
+
+from openmmtools import mcmc
+from openmmtools import cache, utils
+from openmmtools.multistate import MultiStateReporter
+
+from perses.dispersed.utils import configure_platform
+from perses.samplers.multistate import HybridRepexSampler
+
+from mdtraj.core.residue_names import _SOLVENT_TYPES
+
+# Set up logger
+_logger = logging.getLogger()
+_logger.setLevel(logging.INFO)
+
+# Configure platform
+platform = configure_platform(utils.get_fastest_platform().getName())
+#platform.setPropertyDefaultValue('UseBlockingSync', 'false')
+
+# Load arguments
+parser = argparse.ArgumentParser(description='run repex')
+parser.add_argument('dir', type=str, help='path to input/output dir')
+parser.add_argument('phase', type=str, help='phase of the simulation to use in storage filename')
+parser.add_argument('n_states', type=int, help='number of states')
+parser.add_argument('n_cycles', type=int, help='number of iterations to run')
+parser.add_argument('t_max', type=int, help='maximum temperature to use for rest scaling')
+parser.add_argument('--restraint', type=str, help="the atoms to restrain, if any: 'CA', 'heavy', 'heavy-solvent'")
+parser.add_argument('--force_constant', type=float, help='the force constant to use for restraints in kcal/molA^2')
+args = parser.parse_args()
+
+# Load hybrid topology factory
+directory_number = Path(args.dir).parts[-2]
+htf = pickle.load(open(os.path.join(args.dir, f"{directory_number}_{args.phase}.pickle"), "rb" ))
+hybrid_system = htf.hybrid_system
+hybrid_positions = htf.hybrid_positions
+
+# Make sure LRC is set correctly
+force_dict = {force.getName(): index for index, force in enumerate(hybrid_system.getForces())}
+htf_class_name = htf.__class__.__name__
+custom_force_name = 'CustomNonbondedForce'
+nonbonded_force_name = 'NonbondedForce'
+if htf_class_name == 'RESTCapableHybridTopologyFactory':
+    custom_force_name += '_sterics'
+    nonbonded_force_name += '_sterics'
+custom_force = hybrid_system.getForce(force_dict[custom_force_name])
+nonbonded_force = hybrid_system.getForce(force_dict[nonbonded_force_name])
+_logger.info(f"{custom_force_name} use LRC? {custom_force.getUseLongRangeCorrection()}")
+_logger.info(f"{nonbonded_force_name} use LRC? {nonbonded_force.getUseDispersionCorrection()}")
+
+# Add virtual bond for complex phase
+if args.phase == 'complex':
+    chain_A = 0
+    chain_B = 2
+    chains = list(htf.hybrid_topology.chains)
+    atom_A = list(chains[chain_A].atoms)[0]
+    atom_B = list(chains[chain_B].atoms)[0]
+    force = openmm.CustomBondForce('0')
+    force.addBond(atom_A.index, atom_B.index, [])
+    hybrid_system.addForce(force)
+    _logger.info(f"Added virtual bond between {atom_A} and {atom_B}")
+
+# Add restraints
+if args.restraint is not None:
+    topology = htf.hybrid_topology
+    solvent_types = list(_SOLVENT_TYPES)
+    force_constant = args.force_constant*unit.kilocalories_per_mole/unit.angstrom**2 if args.force_constant is not None else 50*unit.kilocalories_per_mole/unit.angstrom**2
+    _logger.info(f"Adding restraint to {args.restraint} atoms with force constant {force_constant}")
+
+    if args.restraint == 'heavy':
+        atom_indices = [atom.index for atom in topology.atoms if atom.residue.name not in solvent_types and atom.element.name != 'hydrogen']
+    elif args.restraint == 'CA':
+        atom_indices = [atom.index for atom in topology.atoms if atom.residue.name not in solvent_types and atom.name == 'CA']
+    elif args.restraint == 'heavy-solvent':
+        atom_indices = [atom.index for atom in topology.atoms if atom.element.name != 'hydrogen']
+    else:
+        raise Exception("Invalid restraint string specified")
+
+    _logger.info(atom_indices)
+    custom_cv_force = openmm.CustomCVForce('(K_RMSD/2)*(RMSD)^2')
+    custom_cv_force.addGlobalParameter('K_RMSD', force_constant * 2)
+    rmsd_force = openmm.RMSDForce(hybrid_positions, atom_indices)
+    custom_cv_force.addCollectiveVariable('RMSD', rmsd_force)
+    hybrid_system.addForce(custom_cv_force)
+
+# Instantiate sampler 
+_logger.setLevel(logging.DEBUG)
+reporter_file = os.path.join(os.path.join(args.dir, f"{directory_number}_{args.phase}.nc"))
+reporter = MultiStateReporter(reporter_file, checkpoint_interval=100)
+move = mcmc.LangevinDynamicsMove(timestep= 4.0 * unit.femtoseconds,
+                                          collision_rate=1.0 / unit.picosecond,
+                                          n_steps=250,
+                                          reassign_velocities=False,
+                                          constraint_tolerance=1e-06)
+sampler = HybridRepexSampler(mcmc_moves=move,
+                             replica_mixing_scheme='swap-all',
+                             hybrid_factory=htf, 
+                             online_analysis_interval=None)
+sampler.setup(n_states=args.n_states, temperature=300*unit.kelvin, t_max=args.t_max * unit.kelvin, storage_file=reporter, endstates=True)
+
+# Create context caches
+sampler.energy_context_cache = cache.ContextCache(capacity=None, time_to_live=None, platform=platform)
+sampler.sampler_context_cache = cache.ContextCache(capacity=None, time_to_live=None, platform=platform)
+
+# Run simulation
+sampler.extend(args.n_cycles)
+
diff --git a/examples/protein-neq-switching/README.md b/examples/dipeptide-neq-switching/README.md
similarity index 100%
rename from examples/protein-neq-switching/README.md
rename to examples/dipeptide-neq-switching/README.md
diff --git a/examples/protein-neq-switching/run_example.py b/examples/dipeptide-neq-switching/run_example.py
similarity index 100%
rename from examples/protein-neq-switching/run_example.py
rename to examples/dipeptide-neq-switching/run_example.py
diff --git a/examples/new-cli/README.md b/examples/new-cli/README.md
deleted file mode 100644
index a63cb8ce4..000000000
--- a/examples/new-cli/README.md
+++ /dev/null
@@ -1,125 +0,0 @@
-# New CLI
-
-## Setup and Overview
-
-NOTE: This CLI tool is under active development and the API is expected to change!
-
-After installing `perses` check to see if the CLI tool works with `perses-cli --help`, it should look something like this:
-
-```bash
-$ perses-cli --help
-Usage: perses-cli [OPTIONS]
-
-  test
-
-Options:
-  --yaml FILE           [required]
-  --platform-name TEXT
-  --override TEXT
-  --help                Show this message and exit.
-```
-The `--yaml` argument is the path to the yaml file.
-
-If `--platform-name` is used e.g. `--platform-name CUDA` then an error will be raised if the requested platform is unavailable.
-This is useful since by default, we attempt to use the fastest platform available.
-If there is misconfiguration issue on a GPU node for example, we will fall back to using the CPU which is likely undesirable.
-Hence, it is recommended to use `--platform-name CUDA` when running on a system with GPU resources.
-Options for `--platform-name` are `Reference`, `CPU`, `CUDA`, and `OpenCL`.
-
-The `--overrride` option is used to specify and option that will override an option set in the yaml.
-For example, if your yaml file contained
-
-```yaml
-old_ligand_index: 0
-new_ligand_index: 1
-trajectory_directory: lig0to1
-```
-
-and you wanted to instead use ligand at index 2 for the old and ligand 3 for the new, you would run:
-
-```bash
-$ perses-cli --yaml template.yaml --override old_ligand_index:2 --override new_ligand_index:3 --override trajectory_directory:lig2to3
-```
-This will override the options in the yaml (be sure to change the `trajectory_directory` so you don't overwrite your previous simulation.
-Currently only `key:value` parts of the yaml can be overridden i.e. not sequences or lists.
-
-To view all options ultimately used in the simulation, a file named `perses-$date-$yaml_name.yaml` is created under the simulation/experiment directory.
-
-The `LOGLEVEL` environment variable is used to control the logging messages printed to the terminal.
-Two common methods to set this environmental variable are:
-1. Setting the environmental variable for all applications ran in the terminal session
-```bash
-$ export LOGLEVEL=DEBUG # This will set the log level to DEBUG for all programs ran after this export 
-$ perses-cli --yaml template.yaml
-```
-2. Setting the environmental variable for only one command
-```bash
-$ LOGLEVEL=DEBUG  perses-cli --yaml template.yaml
-```
-
-
-## Example Use Case
-
-In this example folder we have a protein: [2ZFF](https://www.rcsb.org/structure/2zff) and some ligands which we will use for a series of free energy calculations.
-We will use a geometric based atom mapping.
-Our yaml file `template.yaml` is setup to do an alchemical transformation from ligand 0 to ligand 1 for the solvent, and complex phase.
-We will use a bash loop (see `run_star_map.sh`) to do a star map with 6 different ligands.
-We will put the ligand at index 0 at the center of star map with the following bash script:
-
-```bash
-#!/usr/bin/env bash
-
-set -xeuo pipefail
-
-old_ligand_idx=0
-for new_ligand_idx in $(seq 1 10)
-do 
-	perses-cli --yaml template.yaml --override old_ligand_index:"$old_ligand_idx" --override new_ligand_index:"$new_ligand_idx" --override trajectory_directory:lig"$old_ligand_idx"to"$new_ligand_idx"
-done
-```
-
-This is equivalent to running all of these commands manually:
-
-```bash
-$ perses-cli --yaml template.yaml --override old_ligand_index:0 --override new_ligand_index:1 --override trajectory_directory:lig0to1
-$ perses-cli --yaml template.yaml --override old_ligand_index:0 --override new_ligand_index:2 --override trajectory_directory:lig0to2
-$ perses-cli --yaml template.yaml --override old_ligand_index:0 --override new_ligand_index:3 --override trajectory_directory:lig0to3
-$ perses-cli --yaml template.yaml --override old_ligand_index:0 --override new_ligand_index:4 --override trajectory_directory:lig0to4
-$ perses-cli --yaml template.yaml --override old_ligand_index:0 --override new_ligand_index:5 --override trajectory_directory:lig0to5
-```
-
-## Analysis 
-To analyze the data, we provide a command line tool `analyze-benchmark.py` in the examples directory that can be run as follows:
-
-```bash
-python analyze-benchmark.py
-```
-This requires the `ligands.sdf` file to have the experimental data in `<EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>` and `<EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>` tags.
-
-So far, both the `ligands.sdf` file and subdirectories with the results must live in the same base directory where this script is run. This will be improved in the future to allow custom paths and filenames.
-
-## Docker Example
-
-First, grab the dev image of perses that has the new CLI tool with `docker pull choderalab/perses:dev`.
-General docker instructions for using perses and docker can be found [here](https://github.com/choderalab/perses/tree/main/docker#readme).
-
-The following examples expect a local copy of the perses source tree.
-
-### Running single edge simulation
-To perform a single edge simulation using the provided container, use the following docker command, for example for the `0` to `5` ligand transformation:
-
-```bash
-docker run --rm --gpus device=0 --mount type=bind,source=$HOME/.OpenEye/,target=/openeye/,readonly --mount type=bind,source=$HOME/workdir/repos/perses/examples/,target=/mnt/ -w /mnt/new-cli choderalab/perses:dev perses-cli --yaml template.yaml --override old_ligand_index:0 --override new_ligand_index:5 --override trajectory_directory:lig0to5
-```
-Of importance there are the paths to the OpenEye license file (in this example is `$HOME/.OpenEye/`), path to the examples directory in perses (`$HOME/Projects/perses/examples/`).
-
-### Running serial star map
-
-To run the star map in serial using the same container you can use the following docker command (to make it easier to read the command is split across multiple lines but this is not necessary).
-```bash
-docker run -it --rm --gpus device=0 --mount type=bind,source=$HOME/.OpenEye/,target=/openeye/,readonly \
-                                    --mount type=bind,source=$HOME/repos/perses/examples/,target=/mnt/ \
-                                    -w /mnt/new-cli choderalab/perses:dev bash ./run_star_map.sh
-```
-
-
diff --git a/examples/new-cli/analyze-benchmark.py b/examples/new-cli/analyze-benchmark.py
deleted file mode 100644
index 83d7db228..000000000
--- a/examples/new-cli/analyze-benchmark.py
+++ /dev/null
@@ -1,336 +0,0 @@
-"""
-Analyze perses calculations for a benchmark set of ligands annotated with experimental data
-
-"""
-
-# SDF filename containing all ligands annotated with experimental data
-# Ligands should be annotated with experimental data using the SD tags
-# EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL
-# EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR
-
-import argparse
-import numpy as np
-
-
-def get_perses_realtime_statistics(basepath, trajectory_prefix='out'):
-    """
-    Retrieve contents of perses realtime analysis YAML files for a given perses output directory.
-    
-    Parameters
-    ----------
-    basepath : str
-        Filepath pointing to the output of a single perses transformation
-    trajectory_prefix : str, optional, default='out'
-        trajectory_prefix used for output files in setup YAML file
-
-    Returns
-    -------
-    statistics : dict
-        statistics[phase] is the contents of the analysis YAML 
-
-    """
-    
-    statistics = dict()
-
-    import yaml
-    import os
-    # TODO: Auto-detect phase names from filenames that are present
-    for phase in ['vacuum', 'complex', 'solvent']:
-        filename = f'{basepath}/{trajectory_prefix}-{phase}_real_time_analysis.yaml'
-        if os.path.exists(filename):
-            with open(filename, 'rt') as infile:
-                statistics[phase] = yaml.safe_load(infile)
-
-    return statistics
-
-def get_molecule_titles(filename):
-    """
-    Get the list of molecule titles (names) from the specified SDF file
-
-    Parameters
-    ----------
-    filename : str
-        The filename to read molecules from
-
-    Returns
-    -------
-    titles : list of str
-        List of molecule titles from the provided SDF file
-    """
-    titles = list()
-    from openeye import oechem
-    with oechem.oemolistream(filename) as ifs:
-        oemol = oechem.OEGraphMol()
-        while oechem.OEReadMolecule(ifs, oemol):
-            titles.append( oemol.GetTitle() )
-
-    return titles
-
-def get_molecule_experimental_data(filename):
-    """
-    Get experimental data for molecules using an SDF file
-
-    The following SD tags will be examined
-    * `EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL`
-    * `EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR`
-    
-
-    Parameters
-    ----------
-    filename : str
-        The filename to read molecules from
-
-    Returns
-    -------
-    graph : networkx.DiGraph
-        graph.nodes[title] contains the following attributes for the molecule with title 'title':
-            exp_g_i : the experimental free energy of binding in kT
-            exp_dg_i : standard error in exp_g_i
-
-        300 K is assumed for the experimental measurements in converting from kcal/mol to kT
-     
-    """
-    import networkx as nx
-    graph = nx.DiGraph()
-
-    from openmm import unit
-    from openmmtools.constants import kB
-    kT = kB * 300 * unit.kelvin # thermal energy at 300 K
-
-    from openeye import oechem
-    with oechem.oemolistream(filename) as ifs:
-        oemol = oechem.OEGraphMol()
-        while oechem.OEReadMolecule(ifs, oemol):
-            title = oemol.GetTitle()
-            tagname = 'EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL'
-            if oechem.OEHasSDData(oemol, tagname):
-                node_data = {
-                    'exp_g_i' : float(oechem.OEGetSDData(oemol, tagname)) * unit.kilocalories_per_mole / kT,
-                    'exp_dg_i' : float(oechem.OEGetSDData(oemol, tagname+'_STDERR')) * unit.kilocalories_per_mole  / kT
-                    }
-
-                graph.add_node(title, **node_data)
-
-    return graph
-
-def get_perses_network_results(basepath, trajectory_prefix='out'):
-    """
-    Read real-time statistics for all perses transformations in 'basepath' launched via the perses CLI and build a network of estimated free energies.
-
-    .. todo ::
-    
-    * Enable user to specify one or more experimental measurements that can be passed to DiffNet to improve the resulting estimate
-
-    Parameters
-    ----------
-    basepath : str
-        Filepath pointing to the output of a single perses transformation
-    trajectory_prefix : str, optional, default='out'
-        trajectory_prefix used for output files in setup YAML file
-
-    Returns
-    -------
-    graph : networkx.DiGraph()
-        NetworkX graph containing the estimated free energies of all edges and overall MLE free energy estimate solution.
-        graph.edges(data=True) will return a list of (i, j, properties) directed i -> j edges with these properties:
-           'g_ij' : MBAR free energy estimate for i -> j transformation (in units of kT); negative indicates j should bind more tightly than i
-           'g_dij' : standard error uncertainty estimate for g_ij (also in units of kT)
-        
-    """
-    # Get list of all YAML files generated by the CLI
-    import glob
-    yaml_filenames = glob.glob(f'{basepath}/*/perses-*.yaml')
-
-    # Read each transformation summary and assemble the statistics into a graph
-    import networkx as nx
-    graph = nx.DiGraph() # graph of free energy estimates
-    
-    import yaml
-    import numpy as np
-    from rich.progress import track
-    for filename in track(yaml_filenames, description='[blue]Retrieving results of perses calculations...'):
-        try:
-            with open(filename, 'rt') as infile:
-                perses_input = yaml.safe_load(infile)
-        except yaml.scanner.ScannerError as e:
-            # Some files may become corrupted for unknown reasons
-            print(e)
-            continue
-            
-        # Extract initial and final ligand indices
-        old_ligand_index = perses_input['old_ligand_index']
-        new_ligand_index = perses_input['new_ligand_index']
-        path = perses_input['trajectory_directory']
-        # Extract names of molecules from the input SDF file used to launch simulations
-        # NOTE: This requires the ligand SDF file to be present and have the same path name
-        # TODO: We don't need to do this over and over again if the ligand file is the same
-        ligand_titles = get_molecule_titles(perses_input['ligand_file'])
-        old_ligand_title = ligand_titles[old_ligand_index]
-        new_ligand_title = ligand_titles[new_ligand_index]
-
-        # DEBUG: Exclude charge change and major ring changes (aromatic to non-aromatic)
-        exclude_list =  ['0001_Nuv0252', '487_Nuv0273', '490_Nuv0671'] 
-        if (old_ligand_title in exclude_list) or (new_ligand_title in exclude_list):
-            continue
-        
-        # Retrieve realtime statistics for this edge
-        statistics = get_perses_realtime_statistics(path, trajectory_prefix=trajectory_prefix)
-        # Include this edge if both complex and solvent have useful data
-        if ('solvent' in statistics) and ('complex' in statistics):
-            # TODO: Extract more statistics about run completion
-            # NOTE: We will provide an API for making it easier to gather information about overall binding free energy statistics
-
-            # Package up edge attributes
-            edge_attributes = {
-                'g_ij' : statistics['complex'][-1]['mbar_analysis']['free_energy_in_kT'] - statistics['solvent'][-1]['mbar_analysis']['free_energy_in_kT'],
-                'g_dij' : np.sqrt(statistics['complex'][-1]['mbar_analysis']['standard_error_in_kT']**2 + statistics['solvent'][-1]['mbar_analysis']['standard_error_in_kT']**2),
-            }
-
-            graph.add_edge(old_ligand_title, new_ligand_title, **edge_attributes)
-
-    print(f'Read {len(graph.edges)} perses transformations')
-
-    # Use DiffNet maximum likelihood estimator (MLE) to estimate overall absolute free energies of each ligand 
-    # omitting any experimental measurements
-    #
-    # https://pubs.acs.org/doi/abs/10.1021/acs.jcim.9b00528
-    from openff.arsenic import stats
-    g_i, C_ij = stats.mle(graph, factor='g_ij')
-
-    # Populate graph with MLE estimates
-    dg_i = np.sqrt(np.diag(C_ij))
-    for node, g, dg in zip(graph.nodes, g_i, dg_i):
-        graph.nodes[node]["mle_g_i"] = g
-        graph.nodes[node]["mle_dg_i"] = dg
-
-    return graph
-
-def generate_arsenic_plots(experimental_data_graph, perses_graph, arsenic_csv_filename='benchmark.csv', target='benchmark',
-                           relative_plot_filename='relative.pdf', absolute_plot_filename='absolute.pdf'):
-    """
-    Generate an arsenic CSV file and arsenic plots
-
-    .. warning:: The CSV file will be deprecated once arsenic object model is improved.
-
-    Parameters
-    ----------
-    experimental_data_graph : networkx.DiGraph
-        graph.nodes[title] contains the following attributes for the molecule with title 'title':
-            exp_g_i : the experimental free energy of binding in kT
-            exp_dg_i : standard error in exp_g_i
-    perses_graph : networkx.DiGraph()
-        NetworkX graph containing the estimated free energies of all edges and overall MLE free energy estimate solution.
-        graph.edges(data=True) will return a list of (i, j, properties) directed i -> j edges with these properties:
-           'g_ij' : MBAR free energy estimate for i -> j transformation (in units of kT); negative indicates j should bind more tightly than i
-           'g_dij' : standard error uncertainty estimate for g_ij (also in units of kT)
-    arsenic_csv_filename : str, optional, default='arsenic.csv'
-        Path to arsenic CSV input file to be generated
-    target : str, optional, default='target'
-        Target name to use in plots
-    relative_plot_filename : str, optional, default='relative.pdf'
-        Relative free energy comparison with experiment plot
-        This plot compares the direct computed edges (without MLE corrections) with experimental free energy differences
-    absolute_plot_filename : str, optional, default='absolute.pdf'
-        Absolute free energy comparison with experiment plot
-        This plot compares the MLE-derived absolute comptued free energies with experimental free energies
-        with the computed free energies shifted to the experimental mean
-    """
-    # Write arsenic CSV file
-    with open(arsenic_csv_filename, 'w') as csv_file:
-        # Experimental block
-        # print header for block
-        csv_file.write("# Experimental block\n")
-        csv_file.write("# Ligand, expt_DG, expt_dDG\n")
-        # Extract ligand name, expt_DG and expt_dDG from ligands dictionary
-        for ligand_name, data in experimental_data_graph.nodes(data=True):
-            csv_file.write(f"{ligand_name}, {data['exp_g_i']}, {data['exp_dg_i']}\n")            
-
-        # Calculated block
-        # print header for block
-        csv_file.write("# Calculated block\n")
-        csv_file.write("# Ligand1,Ligand2, calc_DDG, calc_dDDG(MBAR), calc_dDDG(additional)\n")
-        # Loop through simulation, extract ligand1 and ligand2 indices, convert to names, create string with
-        # ligand1, ligand2, calc_DDG, calc_dDDG(MBAR), calc_dDDG(additional)
-        # write string in csv file
-        for ligand1, ligand2, data in perses_graph.edges(data=True):
-            csv_file.write(
-                f"{ligand1}, {ligand2}, {data['g_ij']}, {data['g_dij']}, 0.0\n")  # hardcoding additional error as 0.0
-
-    # Generate comparison plots
-    from openff.arsenic import plotting, wrangle
-
-    # Generate arsenic plots comparing experimental and calculated free energies
-    fe = wrangle.FEMap(arsenic_csv_filename)
-
-    # Generate relative plot
-    print(f'Generating {relative_plot_filename}...')
-    plotting.plot_DDGs(fe.graph,
-                       target_name=f'{target}',
-                       title=f'Relative binding energies - {target}',
-                       figsize=5,
-                       units='kT',
-                       filename=relative_plot_filename,
-                   )
-
-    # Generate absolute plot, with experimental data shifted to correct mean
-    print(f'Generating {absolute_plot_filename}...')
-    #experimental_mean_dg = np.asarray([node[1]["exp_DG"] for node in fe.graph.nodes(data=True)]).mean()
-    experimental_mean_dg = np.asarray([data['exp_g_i'] for node, data in experimental_data_graph.nodes(data=True)]).mean()
-    plotting.plot_DGs(fe.graph,
-                      target_name=f'{target}',
-                      title=f'Absolute binding energies - {target}',
-                      figsize=5,
-                      units='kT',
-                      filename=absolute_plot_filename,
-                      shift=experimental_mean_dg,
-                  )
-
-def display_predictions(graph):
-    """
-    Display the predicted free energies in a table.
-    """
-    from rich.console import Console
-    from rich.table import Table
-
-    table = Table(title="perses free energy estimates (up to additive constant)")
-
-    table.add_column("ligand", justify="left", style="cyan", no_wrap=True)
-    table.add_column("perses ΔG / kT", justify="centered", style="magenta")
-
-    # Sort ligands
-    sorted_ligands = list(graph.nodes)
-    sorted_ligands.sort(key = lambda ligand_name : graph.nodes[ligand_name]['mle_g_i'])
-    for ligand_name in sorted_ligands:
-        data = graph.nodes[ligand_name]
-        table.add_row(ligand_name, f"{data['mle_g_i']:6.1f} ± {data['mle_dg_i']:5.1f}")
-
-    console = Console()
-    console.print(table)
-
-if __name__ == '__main__':
-
-    arg_parser = argparse.ArgumentParser(prog='analyze-benchmark.py',
-                                         formatter_class=argparse.ArgumentDefaultsHelpFormatter)
-    arg_parser.add_argument("--base-directory", type=str, help="Base directory where results live", default='.')
-    arg_parser.add_argument("--ligands-file", type=str, help="Name of the ligands sdf file in the base directory.",
-                            default='ligands.sdf')
-    args = arg_parser.parse_args()
-    basepath = args.base_directory
-    ligands_file = args.ligands_file
-    # Get molecule experimental data
-    experimental_data_graph = get_molecule_experimental_data(ligands_file)
-
-    # Get perses free energy estimates and MLE estimates
-    perses_graph = get_perses_network_results(basepath)
-
-    # Check that we have sufficient data to analyze the graph
-    if len(perses_graph.nodes) == 0:
-        raise Exception('No edges have generated sufficient data to compare with experiment yet. Both solvent and complex phases must have provided data to analyze.')
-
-    # Show the predictions
-    display_predictions(perses_graph)
-
-    # Generate arsenic plots comparing experimental and calculated
-    arsenic_csv_filename = 'arsenic.csv' # CSV file to generate containing experimental absolute free energies and raw edge computed free energies from perses    
-    target_name = 'benchmark'
-    generate_arsenic_plots(experimental_data_graph, perses_graph, arsenic_csv_filename=arsenic_csv_filename, target=target_name)
diff --git a/examples/new-cli/ligands.sdf b/examples/new-cli/ligands.sdf
deleted file mode 100644
index 04e2374bd..000000000
--- a/examples/new-cli/ligands.sdf
+++ /dev/null
@@ -1,1881 +0,0 @@
-ligand0001
-  -OEChem-05082202433D
-ITL:ligand0001
- 63 66  0     0  0  0  0  0  0999 V2000
-   11.5693    2.5798   -7.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9902    3.5130   -7.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6355    4.4001   -8.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.7995    4.0060   -9.8554 S   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9419    5.2770  -10.5818 O   0  0  0  0  0  0  0  0  0  0  0  0
-   11.6893    3.1023  -10.1917 O   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3858    3.0509  -10.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.5718    2.6867  -11.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4935    2.1255  -11.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6222    3.5813  -12.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.7426    2.0798  -11.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5628    3.9260   -9.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.6833    4.8021  -10.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4147    4.2725   -8.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
-   16.5036    3.3762   -9.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3131    1.7639   -9.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.5265    1.0962   -9.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.2517    1.2105   -9.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.1144    1.9811   -8.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1761    5.6040   -7.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.6957    6.2924   -8.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.0370    5.9071   -6.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4440    6.8277   -5.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3643    5.0065   -5.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.8574    3.8033   -5.9626 N   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2659    3.1210   -4.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.4107    3.8982   -3.7896 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.0844    3.7102   -2.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0927    5.0669   -4.1007 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6314    1.8558   -4.9160 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6928    1.3621   -4.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3261    1.9360   -3.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4211    0.0832   -4.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2282   -0.1335   -5.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.3257   -1.0213   -6.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9463    0.9377   -5.8615 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5530   -0.9173   -3.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0867   -2.2056   -3.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0986   -2.4167   -3.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3579   -3.2142   -2.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0277   -2.9680   -2.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4469   -3.7336   -2.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4742   -1.6910   -2.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4673   -1.4945   -2.3947 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2338   -0.6558   -3.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.6019    0.7188   -3.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5183    0.6663   -3.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.9782    1.3925   -2.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.8192    1.1500   -4.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0547   -4.4894   -2.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2079   -4.4416   -2.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3758   -5.6298   -2.7684 N   0  0  0  0  0  0  0  0  0  0  0  0
-    7.4179   -5.5918   -3.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9578   -6.9488   -2.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.8715   -7.5447   -3.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0310   -6.8741   -2.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.2705   -7.6605   -1.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.6459   -6.9640   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.5978   -8.4260   -1.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.2721   -8.3214   -0.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.7591   -8.8188    0.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.8825   -9.0602   -0.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.9529   -7.5887    0.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 25  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  2  0  0  0  0
-  4  7  1  0  0  0  0
-  7  8  1  0  0  0  0
-  7 12  1  0  0  0  0
-  7 16  1  0  0  0  0
-  8  9  1  0  0  0  0
-  8 10  1  0  0  0  0
-  8 11  1  0  0  0  0
- 12 13  1  0  0  0  0
- 12 14  1  0  0  0  0
- 12 15  1  0  0  0  0
- 16 17  1  0  0  0  0
- 16 18  1  0  0  0  0
- 16 19  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  2  0  0  0  0
- 22 23  1  0  0  0  0
- 22 24  1  0  0  0  0
- 24 25  1  0  0  0  0
- 24 29  2  0  0  0  0
- 25 26  1  0  0  0  0
- 26 27  2  0  0  0  0
- 26 30  1  0  0  0  0
- 27 28  1  0  0  0  0
- 27 29  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 36  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 33  2  0  0  0  0
- 33 34  1  0  0  0  0
- 33 37  1  0  0  0  0
- 34 35  1  0  0  0  0
- 34 36  2  0  0  0  0
- 37 38  2  0  0  0  0
- 37 45  1  0  0  0  0
- 38 39  1  0  0  0  0
- 38 40  1  0  0  0  0
- 40 41  2  0  0  0  0
- 40 50  1  0  0  0  0
- 41 42  1  0  0  0  0
- 41 43  1  0  0  0  0
- 43 44  1  0  0  0  0
- 43 45  2  0  0  0  0
- 45 46  1  0  0  0  0
- 46 47  1  0  0  0  0
- 46 48  1  0  0  0  0
- 46 49  1  0  0  0  0
- 50 51  2  0  0  0  0
- 50 52  1  0  0  0  0
- 52 53  1  0  0  0  0
- 52 54  1  0  0  0  0
- 54 55  1  0  0  0  0
- 54 56  1  0  0  0  0
- 54 57  1  0  0  0  0
- 57 58  1  0  0  0  0
- 57 59  1  0  0  0  0
- 57 60  1  0  0  0  0
- 60 61  1  0  0  0  0
- 60 62  1  0  0  0  0
- 60 63  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--10.21
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0002
-  -OEChem-05082202433D
-ITL:3212_Nuv0286_conf1
- 66 69  0     0  0  0  0  0  0999 V2000
-   11.5644    2.5700   -7.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9670    3.5056   -7.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6073    4.4013   -8.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.8025    4.0007   -9.8687 S   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9394    5.2726  -10.5953 O   0  0  0  0  0  0  0  0  0  0  0  0
-   11.7050    3.0884  -10.2203 O   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3970    3.0574  -10.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6129    2.7129  -11.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5470    2.1681  -11.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6695    3.6184  -12.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.8017    2.0981  -11.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5579    3.9317   -9.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.6351    4.8656  -10.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4129    4.1804   -8.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
-   16.5130    3.4181   -9.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3172    1.7618   -9.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4918    1.1290   -9.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.2322    1.1734   -9.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.1724    1.9814   -8.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1406    5.6053   -7.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.6598    6.2994   -8.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9974    5.9111   -6.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.3889    6.8360   -5.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3303    5.0035   -5.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.8341    3.8016   -5.9774 N   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2493    3.1154   -4.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.3865    3.8914   -3.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.0586    3.7071   -2.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0645    5.0600   -4.1126 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6189    1.8516   -4.9277 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6910    1.3603   -4.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3396    1.9350   -3.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3987    0.0875   -4.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2025   -0.1327   -5.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2973   -1.0211   -6.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9269    0.9357   -5.8770 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5375   -0.9106   -3.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0739   -2.1965   -3.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0894   -2.4004   -3.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3416   -3.2152   -2.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0138   -2.9593   -2.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4300   -3.7294   -2.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4578   -1.6877   -2.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4517   -1.4917   -2.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2193   -0.6515   -3.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.5951    0.7292   -3.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5816    0.7557   -3.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.1782    1.4661   -2.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.5567    1.0508   -4.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0476   -4.4829   -2.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2093   -4.4262   -2.1396 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3763   -5.6319   -2.7130 N   0  0  0  0  0  0  0  0  0  0  0  0
-    7.4255   -5.6176   -3.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0009   -6.9368   -2.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3420   -7.2855   -3.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.9148   -6.8241   -1.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.1030   -7.9697   -1.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.1990   -7.4639   -1.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.7354   -9.0681   -2.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5456   -9.6121   -3.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0644   -9.8067   -2.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2144   -8.6280   -3.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.7281   -8.5830   -0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6425   -9.1358   -0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9660   -7.8116    0.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.0257   -9.2649   -0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 25  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  2  0  0  0  0
-  4  7  1  0  0  0  0
-  7  8  1  0  0  0  0
-  7 12  1  0  0  0  0
-  7 16  1  0  0  0  0
-  8  9  1  0  0  0  0
-  8 10  1  0  0  0  0
-  8 11  1  0  0  0  0
- 12 13  1  0  0  0  0
- 12 14  1  0  0  0  0
- 12 15  1  0  0  0  0
- 16 17  1  0  0  0  0
- 16 18  1  0  0  0  0
- 16 19  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  2  0  0  0  0
- 22 23  1  0  0  0  0
- 22 24  1  0  0  0  0
- 24 25  1  0  0  0  0
- 24 29  2  0  0  0  0
- 25 26  1  0  0  0  0
- 26 27  2  0  0  0  0
- 26 30  1  0  0  0  0
- 27 28  1  0  0  0  0
- 27 29  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 36  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 33  2  0  0  0  0
- 33 34  1  0  0  0  0
- 33 37  1  0  0  0  0
- 34 35  1  0  0  0  0
- 34 36  2  0  0  0  0
- 37 38  2  0  0  0  0
- 37 45  1  0  0  0  0
- 38 39  1  0  0  0  0
- 38 40  1  0  0  0  0
- 40 41  2  0  0  0  0
- 40 50  1  0  0  0  0
- 41 42  1  0  0  0  0
- 41 43  1  0  0  0  0
- 43 44  1  0  0  0  0
- 43 45  2  0  0  0  0
- 45 46  1  0  0  0  0
- 46 47  1  0  0  0  0
- 46 48  1  0  0  0  0
- 46 49  1  0  0  0  0
- 50 51  2  0  0  0  0
- 50 52  1  0  0  0  0
- 52 53  1  0  0  0  0
- 52 54  1  0  0  0  0
- 54 55  1  0  0  0  0
- 54 56  1  0  0  0  0
- 54 57  1  0  0  0  0
- 57 58  1  0  0  0  0
- 57 59  1  0  0  0  0
- 57 63  1  0  0  0  0
- 59 60  1  0  0  0  0
- 59 61  1  0  0  0  0
- 59 62  1  0  0  0  0
- 63 64  1  0  0  0  0
- 63 65  1  0  0  0  0
- 63 66  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--8.52
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0003
-  -OEChem-05082202433D
-ITL:ligand0003
- 61 65  0     0  0  0  0  0  0999 V2000
-   13.6990    6.2921   -8.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1806    5.6043   -7.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6392    4.4002   -8.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.7986    4.0075   -9.8536 S   0  0  0  0  0  0  0  0  0  0  0  0
-   11.6864    3.1047  -10.1857 O   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9407    5.2778  -10.5807 O   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3852    3.0520  -10.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3096    1.7663   -9.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.2273    1.1833   -9.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4877    1.1248   -9.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.1616    1.9893   -8.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5635    3.9257   -9.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.6902    4.7948  -10.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4141    4.2838   -8.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
-   16.5006    3.3702   -9.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.5710    2.6857  -11.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6887    3.5778  -12.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4588    2.0684  -11.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.7122    2.1325  -11.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9946    3.5119   -7.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.5731    2.5793   -7.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.8627    3.8031   -5.9626 N   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3680    5.0076   -5.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.0410    5.9081   -6.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4463    6.8287   -5.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0944    5.0694   -4.1017 N   0  0  0  0  0  0  0  0  0  0  0  0
-   11.4139    3.8997   -3.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.0864    3.7137   -2.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2687    3.1221   -4.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6366    1.8551   -4.9136 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6934    1.3624   -4.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3249    1.9363   -3.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4247    0.0814   -4.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2296   -0.1337   -5.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.3247   -1.0208   -6.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9492    0.9376   -5.8600 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5567   -0.9198   -3.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0897   -2.2106   -3.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0983   -2.4206   -3.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3673   -3.2182   -2.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0355   -2.9705   -2.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4485   -3.7373   -2.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4801   -1.6923   -2.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4701   -1.4968   -2.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2386   -0.6561   -3.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.6049    0.7171   -3.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5209    0.6622   -3.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.9763    1.3923   -2.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.8250    1.1470   -4.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0646   -4.4924   -2.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2171   -4.4583   -2.1213 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3820   -5.6308   -2.7286 N   0  0  0  0  0  0  0  0  0  0  0  0
-    7.4304   -5.5857   -3.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9497   -6.9268   -2.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0370   -6.9866   -2.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.1981   -7.9257   -1.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.7847   -8.6086   -1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2588   -7.6050   -1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.2571   -8.1048   -3.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.3506   -7.9132   -3.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.8797   -8.9091   -3.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  1  0  0  0  0
-  2 24  2  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  2  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  2  0  0  0  0
-  4  7  1  0  0  0  0
-  7  8  1  0  0  0  0
-  7 12  1  0  0  0  0
-  7 16  1  0  0  0  0
-  8  9  1  0  0  0  0
-  8 10  1  0  0  0  0
-  8 11  1  0  0  0  0
- 12 13  1  0  0  0  0
- 12 14  1  0  0  0  0
- 12 15  1  0  0  0  0
- 16 17  1  0  0  0  0
- 16 18  1  0  0  0  0
- 16 19  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  1  0  0  0  0
- 22 23  1  0  0  0  0
- 22 29  1  0  0  0  0
- 23 24  1  0  0  0  0
- 23 26  2  0  0  0  0
- 24 25  1  0  0  0  0
- 26 27  1  0  0  0  0
- 27 28  1  0  0  0  0
- 27 29  2  0  0  0  0
- 29 30  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 36  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 33  2  0  0  0  0
- 33 34  1  0  0  0  0
- 33 37  1  0  0  0  0
- 34 35  1  0  0  0  0
- 34 36  2  0  0  0  0
- 37 38  2  0  0  0  0
- 37 45  1  0  0  0  0
- 38 39  1  0  0  0  0
- 38 40  1  0  0  0  0
- 40 41  2  0  0  0  0
- 40 50  1  0  0  0  0
- 41 42  1  0  0  0  0
- 41 43  1  0  0  0  0
- 43 44  1  0  0  0  0
- 43 45  2  0  0  0  0
- 45 46  1  0  0  0  0
- 46 47  1  0  0  0  0
- 46 48  1  0  0  0  0
- 46 49  1  0  0  0  0
- 50 51  2  0  0  0  0
- 50 52  1  0  0  0  0
- 52 53  1  0  0  0  0
- 52 54  1  0  0  0  0
- 54 55  1  0  0  0  0
- 54 56  1  0  0  0  0
- 54 59  1  0  0  0  0
- 56 57  1  0  0  0  0
- 56 58  1  0  0  0  0
- 56 59  1  0  0  0  0
- 59 60  1  0  0  0  0
- 59 61  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--12.65
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0004
-  -OEChem-05082202433D
-ITL:ligand0004
- 60 64  0     0  0  0  0  0  0999 V2000
-    5.4592    0.6532   -3.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.5446    0.7004   -3.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.9071    1.3431   -2.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.7748    1.1619   -4.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.1601   -0.6881   -3.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.4799   -0.9567   -3.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9884   -2.2646   -3.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0058   -2.4636   -4.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.2245   -3.2954   -3.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.9017   -3.0297   -2.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.2917   -3.8002   -2.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.3828   -1.7303   -2.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.3746   -1.5325   -2.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.8798   -4.6086   -2.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0399   -4.6162   -2.4737 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.1582   -5.7209   -3.1172 N   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2101   -5.6272   -3.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.6537   -7.0649   -3.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.8618   -7.5457   -3.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4796   -7.5422   -1.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2092   -8.3338   -1.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.7371   -6.8203   -1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.0391   -7.9605   -1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.3370   -7.5199   -1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.8385   -8.9959   -2.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3471    0.0844   -4.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6522    1.3320   -3.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.2777    1.8030   -3.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.5933    1.8317   -4.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.8256    0.9483   -5.8879 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0365   -0.1711   -5.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2676    3.1280   -4.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.4377    3.9350   -3.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.1146    3.7668   -2.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.1299    5.0879   -4.1212 N   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3851    5.0015   -5.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.0513    5.8925   -6.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4601    6.8175   -5.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1768    5.5784   -7.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.6881    6.2621   -8.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6376    4.3682   -8.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9939    3.4900   -7.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.5703    2.5585   -7.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.8646    3.7890   -5.9572 N   0  0  0  0  0  0  0  0  0  0  0  0
-   12.8084    3.9750   -9.8642 S   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9358    5.2448  -10.5911 O   0  0  0  0  0  0  0  0  0  0  0  0
-   11.7023    3.0652  -10.1996 O   0  0  0  0  0  0  0  0  0  0  0  0
-   14.4026    3.0336  -10.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6134    2.7078  -11.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5410    2.1575  -11.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6717    3.6172  -12.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.7953    2.1037  -11.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3156    1.7330   -9.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.1862    1.9456   -8.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4772    1.1134   -9.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.2238    1.1394   -9.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5673    3.9008   -9.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4712    4.0762   -8.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
-   16.5286    3.4111   -9.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.6087    4.8659  -10.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2  5  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5 12  2  0  0  0  0
-  6  7  2  0  0  0  0
-  6 26  1  0  0  0  0
-  7  8  1  0  0  0  0
-  7  9  1  0  0  0  0
-  9 10  2  0  0  0  0
-  9 14  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 12  1  0  0  0  0
- 12 13  1  0  0  0  0
- 14 15  2  0  0  0  0
- 14 16  1  0  0  0  0
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- 18 19  1  0  0  0  0
- 18 20  1  0  0  0  0
- 18 23  1  0  0  0  0
- 20 21  1  0  0  0  0
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- 20 23  1  0  0  0  0
- 23 24  1  0  0  0  0
- 23 25  1  0  0  0  0
- 26 27  2  0  0  0  0
- 26 31  1  0  0  0  0
- 27 28  1  0  0  0  0
- 27 29  1  0  0  0  0
- 29 30  2  0  0  0  0
- 29 32  1  0  0  0  0
- 30 31  1  0  0  0  0
- 32 33  2  0  0  0  0
- 32 44  1  0  0  0  0
- 33 34  1  0  0  0  0
- 33 35  1  0  0  0  0
- 35 36  2  0  0  0  0
- 36 37  1  0  0  0  0
- 36 44  1  0  0  0  0
- 37 38  1  0  0  0  0
- 37 39  2  0  0  0  0
- 39 40  1  0  0  0  0
- 39 41  1  0  0  0  0
- 41 42  2  0  0  0  0
- 41 45  1  0  0  0  0
- 42 43  1  0  0  0  0
- 42 44  1  0  0  0  0
- 45 46  2  0  0  0  0
- 45 47  2  0  0  0  0
- 45 48  1  0  0  0  0
- 48 49  1  0  0  0  0
- 48 53  1  0  0  0  0
- 48 57  1  0  0  0  0
- 49 50  1  0  0  0  0
- 49 51  1  0  0  0  0
- 49 52  1  0  0  0  0
- 53 54  1  0  0  0  0
- 53 55  1  0  0  0  0
- 53 56  1  0  0  0  0
- 57 58  1  0  0  0  0
- 57 59  1  0  0  0  0
- 57 60  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--12.25
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0005
-  -OEChem-05082202433D
-ITL:ligand0005
- 63 66  0     0  0  0  0  0  0999 V2000
-   11.5664    2.5669   -7.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9812    3.5019   -7.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6322    4.3887   -8.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.8162    3.9947   -9.8583 S   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9623    5.2654  -10.5826 O   0  0  0  0  0  0  0  0  0  0  0  0
-   11.7145    3.0863  -10.2100 O   0  0  0  0  0  0  0  0  0  0  0  0
-   14.4038    3.0419  -10.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6126    2.6932  -11.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5355    2.1331  -11.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
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-   13.7881    2.0925  -11.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
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-   15.6736    4.8197  -10.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
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-   16.5214    3.3784   -9.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
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-   15.2465    1.1801   -9.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.1251    1.9593   -8.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1642    5.5949   -7.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.6845    6.2840   -8.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.0172    5.8992   -6.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4204    6.8209   -5.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3428    4.9975   -5.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.8419    3.7931   -5.9688 N   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2494    3.1113   -4.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.3881    3.8880   -3.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.0592    3.6972   -2.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0693    5.0576   -4.1037 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6173    1.8469   -4.9222 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6842    1.3526   -4.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3172    1.9245   -3.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4078    0.0765   -4.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2248   -0.1439   -5.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.3281   -1.0338   -6.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9374    0.9286   -5.8639 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5374   -0.9242   -3.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0705   -2.2122   -3.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0886   -2.4137   -3.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3383   -3.2252   -2.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0353   -4.5089   -2.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.1928   -4.4639   -2.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3532   -5.6461   -2.7430 N   0  0  0  0  0  0  0  0  0  0  0  0
-    7.4014   -5.5989   -3.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9251   -6.9719   -2.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0025   -6.9317   -2.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3035   -7.7054   -1.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.7089   -8.7123   -1.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5001   -7.2222   -0.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2239   -7.7622   -1.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5939   -7.8829   -3.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0564   -8.8615   -3.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.5196   -8.0188   -3.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9282   -7.4867   -4.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0099   -2.9694   -2.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4280   -3.7283   -2.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4643   -1.6907   -2.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4468   -1.4944   -2.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2146   -0.6587   -3.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.5875    0.7172   -3.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5055    0.6722   -3.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.9779    1.3911   -2.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.7921    1.1458   -4.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 25  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  2  0  0  0  0
-  4  7  1  0  0  0  0
-  7  8  1  0  0  0  0
-  7 12  1  0  0  0  0
-  7 16  1  0  0  0  0
-  8  9  1  0  0  0  0
-  8 10  1  0  0  0  0
-  8 11  1  0  0  0  0
- 12 13  1  0  0  0  0
- 12 14  1  0  0  0  0
- 12 15  1  0  0  0  0
- 16 17  1  0  0  0  0
- 16 18  1  0  0  0  0
- 16 19  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  2  0  0  0  0
- 22 23  1  0  0  0  0
- 22 24  1  0  0  0  0
- 24 25  1  0  0  0  0
- 24 29  2  0  0  0  0
- 25 26  1  0  0  0  0
- 26 27  2  0  0  0  0
- 26 30  1  0  0  0  0
- 27 28  1  0  0  0  0
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- 30 31  1  0  0  0  0
- 30 36  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 33  2  0  0  0  0
- 33 34  1  0  0  0  0
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- 34 35  1  0  0  0  0
- 34 36  2  0  0  0  0
- 37 38  2  0  0  0  0
- 37 59  1  0  0  0  0
- 38 39  1  0  0  0  0
- 38 40  1  0  0  0  0
- 40 41  1  0  0  0  0
- 40 55  2  0  0  0  0
- 41 42  2  0  0  0  0
- 41 43  1  0  0  0  0
- 43 44  1  0  0  0  0
- 43 45  1  0  0  0  0
- 45 46  1  0  0  0  0
- 45 47  1  0  0  0  0
- 45 51  1  0  0  0  0
- 47 48  1  0  0  0  0
- 47 49  1  0  0  0  0
- 47 50  1  0  0  0  0
- 51 52  1  0  0  0  0
- 51 53  1  0  0  0  0
- 51 54  1  0  0  0  0
- 55 56  1  0  0  0  0
- 55 57  1  0  0  0  0
- 57 58  1  0  0  0  0
- 57 59  2  0  0  0  0
- 59 60  1  0  0  0  0
- 60 61  1  0  0  0  0
- 60 62  1  0  0  0  0
- 60 63  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--10.30
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0006
-  -OEChem-05082202433D
-ITL:ligand0006
- 64 68  0     0  0  0  0  0  0999 V2000
-   11.5574    2.5679   -7.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9798    3.5001   -7.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6234    4.3894   -8.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.8142    3.9954   -9.8687 S   0  0  0  0  0  0  0  0  0  0  0  0
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-   14.4031    3.0534  -10.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5666    3.9305   -9.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
-   16.5282    3.4198   -9.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4430    4.1719   -8.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
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-   14.1680    1.9671   -8.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1605    5.5946   -7.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.6802    6.2821   -8.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
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-   11.2478    3.1037   -4.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
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-   10.6096    1.8450   -4.9380 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6858    1.3461   -4.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3330    1.9267   -3.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4043    0.0731   -4.4407 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    8.5382   -0.9249   -3.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0782   -2.2165   -3.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    8.3468   -3.2384   -2.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    6.4473   -3.7431   -2.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4623   -1.7061   -2.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4611   -1.5106   -2.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2206   -0.6735   -3.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    6.5818    0.9986   -4.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0424   -4.5081   -2.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.1926   -4.4608   -2.1361 O   0  0  0  0  0  0  0  0  0  0  0  0
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-    7.4487   -5.6571   -3.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
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-    9.9835   -6.9328   -2.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.0533   -7.8998   -1.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5655   -8.5575   -1.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2032   -7.4133   -1.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.7375   -8.5918   -3.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.7534   -9.6819   -3.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.9373   -8.1899   -3.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9385   -7.9156   -3.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
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-  1  2  1  0  0  0  0
-  2  3  2  0  0  0  0
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-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  2  0  0  0  0
-  4  7  1  0  0  0  0
-  7  8  1  0  0  0  0
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-  8  9  1  0  0  0  0
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- 46 47  1  0  0  0  0
- 46 48  1  0  0  0  0
- 46 49  1  0  0  0  0
- 50 51  2  0  0  0  0
- 50 52  1  0  0  0  0
- 52 53  1  0  0  0  0
- 52 54  1  0  0  0  0
- 54 55  1  0  0  0  0
- 54 56  1  0  0  0  0
- 54 62  1  0  0  0  0
- 56 57  1  0  0  0  0
- 56 58  1  0  0  0  0
- 56 59  1  0  0  0  0
- 59 60  1  0  0  0  0
- 59 61  1  0  0  0  0
- 59 62  1  0  0  0  0
- 62 63  1  0  0  0  0
- 62 64  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--11.00
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0007
-  -OEChem-05082202433D
-ITL:ligand0007
- 57 60  0     0  0  0  0  0  0999 V2000
-   11.5668    2.5821   -7.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9872    3.5148   -7.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6338    4.4024   -8.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.8039    4.0094   -9.8606 S   0  0  0  0  0  0  0  0  0  0  0  0
-   11.6949    3.1064  -10.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9490    5.2800  -10.5866 O   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3897    3.0528  -10.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3097    1.7662   -9.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.2256    1.1813   -9.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4844    1.1286   -9.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.1646    1.9879   -8.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5644    3.9255   -9.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.6785    4.8122  -10.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4171    4.2555   -8.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
-   16.5079    3.3805   -9.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.5834    2.6887  -11.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6903    3.5821  -12.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4791    2.0829  -11.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.7322    2.1249  -11.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1716    5.6071   -7.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.6919    6.2957   -8.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.0316    5.9095   -6.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4375    6.8306   -5.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3581    5.0083   -5.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.8532    3.8048   -5.9696 N   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2625    3.1224   -4.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.4056    3.8997   -3.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.0797    3.7097   -2.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0871    5.0691   -4.1066 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6287    1.8573   -4.9226 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6972    1.3591   -4.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3312    1.9310   -3.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4208    0.0831   -4.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2272   -0.1324   -5.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.3227   -1.0185   -6.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9418    0.9407   -5.8694 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5540   -0.9183   -3.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0882   -2.2083   -3.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.1006   -2.4168   -3.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3560   -3.2198   -2.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0461   -4.5031   -2.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2017   -4.4770   -2.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3541   -5.6352   -2.7619 N   0  0  0  0  0  0  0  0  0  0  0  0
-    7.4037   -5.5880   -3.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9131   -6.9493   -2.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.1847   -7.7249   -2.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.7938   -7.1129   -3.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.2088   -7.0593   -1.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0267   -2.9668   -2.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4424   -3.7307   -2.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4733   -1.6886   -2.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4646   -1.4928   -2.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2333   -0.6555   -3.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.6026    0.7199   -3.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5196    0.6696   -3.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.9848    1.3950   -2.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.8144    1.1477   -4.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 25  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  2  0  0  0  0
-  4  7  1  0  0  0  0
-  7  8  1  0  0  0  0
-  7 12  1  0  0  0  0
-  7 16  1  0  0  0  0
-  8  9  1  0  0  0  0
-  8 10  1  0  0  0  0
-  8 11  1  0  0  0  0
- 12 13  1  0  0  0  0
- 12 14  1  0  0  0  0
- 12 15  1  0  0  0  0
- 16 17  1  0  0  0  0
- 16 18  1  0  0  0  0
- 16 19  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  2  0  0  0  0
- 22 23  1  0  0  0  0
- 22 24  1  0  0  0  0
- 24 25  1  0  0  0  0
- 24 29  2  0  0  0  0
- 25 26  1  0  0  0  0
- 26 27  2  0  0  0  0
- 26 30  1  0  0  0  0
- 27 28  1  0  0  0  0
- 27 29  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 36  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 33  2  0  0  0  0
- 33 34  1  0  0  0  0
- 33 37  1  0  0  0  0
- 34 35  1  0  0  0  0
- 34 36  2  0  0  0  0
- 37 38  2  0  0  0  0
- 37 53  1  0  0  0  0
- 38 39  1  0  0  0  0
- 38 40  1  0  0  0  0
- 40 41  1  0  0  0  0
- 40 49  2  0  0  0  0
- 41 42  2  0  0  0  0
- 41 43  1  0  0  0  0
- 43 44  1  0  0  0  0
- 43 45  1  0  0  0  0
- 45 46  1  0  0  0  0
- 45 47  1  0  0  0  0
- 45 48  1  0  0  0  0
- 49 50  1  0  0  0  0
- 49 51  1  0  0  0  0
- 51 52  1  0  0  0  0
- 51 53  2  0  0  0  0
- 53 54  1  0  0  0  0
- 54 55  1  0  0  0  0
- 54 56  1  0  0  0  0
- 54 57  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--11.21
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0008
-  -OEChem-05082202433D
-ITL:ligand0008
- 60 63  0     0  0  0  0  0  0999 V2000
-   11.5671    2.5812   -7.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9879    3.5142   -7.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6349    4.4005   -8.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.7989    4.0058   -9.8560 S   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9417    5.2772  -10.5819 O   0  0  0  0  0  0  0  0  0  0  0  0
-   11.6898    3.1014  -10.1935 O   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3859    3.0513  -10.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.5716    2.6865  -11.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4933    2.1251  -11.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6236    3.5812  -12.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.7418    2.0804  -11.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5627    3.9265   -9.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.6762    4.8083  -10.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4180    4.2625   -8.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
-   16.5056    3.3812   -9.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3135    1.7643   -9.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.5291    1.0949   -9.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.2540    1.2135   -9.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.1122    1.9819   -8.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1759    5.6044   -7.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.6952    6.2927   -8.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.0356    5.9081   -6.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4432    6.8283   -5.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3638    5.0067   -5.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.8570    3.8038   -5.9632 N   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2643    3.1214   -4.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.4082    3.8979   -3.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.0817    3.7116   -2.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0920    5.0660   -4.1001 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6310    1.8560   -4.9168 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6918    1.3632   -4.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3293    1.9358   -3.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4223    0.0835   -4.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2269   -0.1327   -5.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.3262   -1.0213   -6.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9460    0.9380   -5.8620 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5545   -0.9167   -3.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0889   -2.2052   -3.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.1030   -2.4150   -3.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3584   -3.2109   -2.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0549   -4.4872   -2.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2107   -4.4506   -2.1436 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3699   -5.6267   -2.7544 N   0  0  0  0  0  0  0  0  0  0  0  0
-    7.4078   -5.5846   -3.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9383   -6.9488   -2.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0335   -6.9250   -2.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.6379   -7.2958   -1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.4700   -7.9378   -3.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.8844   -8.9261   -3.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.3856   -8.0289   -3.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.7789   -7.6317   -4.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0247   -2.9684   -2.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4444   -3.7305   -2.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4715   -1.6900   -2.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4666   -1.4928   -2.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2343   -0.6547   -3.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.6021    0.7198   -3.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5184    0.6673   -3.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.9785    1.3935   -2.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.8193    1.1509   -4.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 25  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  2  0  0  0  0
-  4  7  1  0  0  0  0
-  7  8  1  0  0  0  0
-  7 12  1  0  0  0  0
-  7 16  1  0  0  0  0
-  8  9  1  0  0  0  0
-  8 10  1  0  0  0  0
-  8 11  1  0  0  0  0
- 12 13  1  0  0  0  0
- 12 14  1  0  0  0  0
- 12 15  1  0  0  0  0
- 16 17  1  0  0  0  0
- 16 18  1  0  0  0  0
- 16 19  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  2  0  0  0  0
- 22 23  1  0  0  0  0
- 22 24  1  0  0  0  0
- 24 25  1  0  0  0  0
- 24 29  2  0  0  0  0
- 25 26  1  0  0  0  0
- 26 27  2  0  0  0  0
- 26 30  1  0  0  0  0
- 27 28  1  0  0  0  0
- 27 29  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 36  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 33  2  0  0  0  0
- 33 34  1  0  0  0  0
- 33 37  1  0  0  0  0
- 34 35  1  0  0  0  0
- 34 36  2  0  0  0  0
- 37 38  2  0  0  0  0
- 37 56  1  0  0  0  0
- 38 39  1  0  0  0  0
- 38 40  1  0  0  0  0
- 40 41  1  0  0  0  0
- 40 52  2  0  0  0  0
- 41 42  2  0  0  0  0
- 41 43  1  0  0  0  0
- 43 44  1  0  0  0  0
- 43 45  1  0  0  0  0
- 45 46  1  0  0  0  0
- 45 47  1  0  0  0  0
- 45 48  1  0  0  0  0
- 48 49  1  0  0  0  0
- 48 50  1  0  0  0  0
- 48 51  1  0  0  0  0
- 52 53  1  0  0  0  0
- 52 54  1  0  0  0  0
- 54 55  1  0  0  0  0
- 54 56  2  0  0  0  0
- 56 57  1  0  0  0  0
- 57 58  1  0  0  0  0
- 57 59  1  0  0  0  0
- 57 60  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--11.59
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0009
-  -OEChem-05082202433D
-ITL:ligand0009
- 58 62  0     0  0  0  0  0  0999 V2000
-   16.5188    3.4266   -9.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5578    3.9207   -9.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4462    4.1099   -8.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.6114    4.8817  -10.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3911    3.0580  -10.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6044    2.7227  -11.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.7859    2.1217  -11.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6690    3.6325  -12.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5335    2.1687  -11.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.2994    1.7598   -9.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4617    1.1426   -9.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.2050    1.1616   -9.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.1682    1.9738   -8.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.8017    4.0098   -9.8692 S   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9519    5.2829  -10.5940 O   0  0  0  0  0  0  0  0  0  0  0  0
-   11.6992    3.1025  -10.2207 O   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6158    4.3985   -8.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1455    5.6063   -7.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.6579    6.3010   -8.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.0036    5.9109   -6.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.3991    6.8364   -5.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3374    5.0052   -5.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.8422    3.7964   -5.9779 N   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9793    3.5045   -7.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.5614    2.5669   -7.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2603    3.1104   -4.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.3950    3.8910   -3.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.0639    3.7022   -2.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0624    5.0672   -4.1172 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6334    1.8460   -4.9213 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6708    1.3820   -4.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.2789    1.9807   -3.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3950    0.1048   -4.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2542   -0.1603   -5.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.3721   -1.0652   -6.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9760    0.9029   -5.8359 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.4919   -0.8075   -3.8306 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9733   -2.1144   -3.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0090   -2.2520   -3.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.2436   -3.0954   -3.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.8995   -2.7719   -2.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.2562   -3.5249   -2.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4414   -1.5063   -2.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4473   -1.2723   -2.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2521   -0.4325   -3.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.8263    0.7170   -3.5114 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9161   -4.3393   -2.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.1348   -4.4193   -2.6182 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.0965   -5.3831   -2.5742 N   0  0  0  0  0  0  0  0  0  0  0  0
-    7.1113   -5.2943   -2.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5293   -6.6106   -1.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.5492   -6.6427   -1.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.5379   -7.4168   -1.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.9085   -7.9535   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.5458   -6.9884   -1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.0082   -7.9065   -2.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.3495   -7.8318   -3.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.6948   -8.7509   -2.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2  5  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5 10  1  0  0  0  0
-  5 14  1  0  0  0  0
-  6  7  1  0  0  0  0
-  6  8  1  0  0  0  0
-  6  9  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 12  1  0  0  0  0
- 10 13  1  0  0  0  0
- 14 15  2  0  0  0  0
- 14 16  2  0  0  0  0
- 14 17  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 24  2  0  0  0  0
- 18 19  1  0  0  0  0
- 18 20  2  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  1  0  0  0  0
- 22 23  1  0  0  0  0
- 22 29  2  0  0  0  0
- 23 24  1  0  0  0  0
- 23 26  1  0  0  0  0
- 24 25  1  0  0  0  0
- 26 27  2  0  0  0  0
- 26 30  1  0  0  0  0
- 27 28  1  0  0  0  0
- 27 29  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 36  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 33  2  0  0  0  0
- 33 34  1  0  0  0  0
- 33 37  1  0  0  0  0
- 34 35  1  0  0  0  0
- 34 36  2  0  0  0  0
- 37 38  1  0  0  0  0
- 37 45  1  0  0  0  0
- 38 39  1  0  0  0  0
- 38 40  2  0  0  0  0
- 40 41  1  0  0  0  0
- 40 47  1  0  0  0  0
- 41 42  1  0  0  0  0
- 41 43  2  0  0  0  0
- 43 44  1  0  0  0  0
- 43 45  1  0  0  0  0
- 45 46  2  0  0  0  0
- 47 48  2  0  0  0  0
- 47 49  1  0  0  0  0
- 49 50  1  0  0  0  0
- 49 51  1  0  0  0  0
- 51 52  1  0  0  0  0
- 51 53  1  0  0  0  0
- 51 56  1  0  0  0  0
- 53 54  1  0  0  0  0
- 53 55  1  0  0  0  0
- 53 56  1  0  0  0  0
- 56 57  1  0  0  0  0
- 56 58  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--6.42
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0010
-  -OEChem-05082202433D
-ITL:ligand0010
- 64 68  0     0  0  0  0  0  0999 V2000
-   11.5361    2.5995   -7.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9633    3.5289   -7.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6176    4.4125   -8.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.8065    4.0176   -9.8715 S   0  0  0  0  0  0  0  0  0  0  0  0
-   11.6996    3.1173  -10.2255 O   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9648    5.2902  -10.5932 O   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3913    3.0566  -10.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.2935    1.7644   -9.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.1951    1.1590   -9.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4479    1.1470   -9.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.1739    1.9837   -8.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5555    3.9233   -9.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.6296    4.8634  -10.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4107    4.1618   -8.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
-   16.5169    3.4169   -9.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6113    2.7155  -11.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6704    3.6188  -12.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5458    2.1713  -11.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.8062    2.1021  -11.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1512    5.6162   -7.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.6706    6.3052   -8.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.0099    5.9175   -6.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4229    6.8349   -5.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3387    5.0176   -5.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.8310    3.8166   -5.9834 N   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2421    3.1308   -4.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.3903    3.9037   -3.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.0677    3.7081   -2.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0691    5.0750   -4.1167 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6136    1.8659   -4.9428 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6965    1.3633   -4.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3415    1.9262   -3.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4262    0.0890   -4.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2289   -0.1311   -5.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.3300   -1.0278   -6.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9226    0.9529   -5.8935 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5691   -0.9071   -3.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.1153   -2.1886   -3.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.1307   -2.3979   -3.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3913   -3.1893   -2.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0562   -2.9233   -2.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4789   -3.6525   -1.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4908   -1.6556   -2.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4860   -1.4501   -2.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2465   -0.6406   -3.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.6127    0.7277   -3.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5303    0.6885   -3.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0142    1.4264   -2.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.8073    1.1271   -4.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0893   -4.4773   -2.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2235   -4.4535   -2.0597 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.4285   -5.6212   -2.7130 N   0  0  0  0  0  0  0  0  0  0  0  0
-    7.3374   -5.5828   -3.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.5374   -5.6981   -2.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.1565   -4.7146   -4.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.3872   -6.3493   -4.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9797   -6.9327   -2.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0664   -6.9922   -2.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.2494   -7.9344   -1.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.8569   -8.5951   -1.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.3117   -7.6183   -1.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.2921   -8.1429   -3.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.3034   -8.1784   -3.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9464   -8.9181   -3.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 25  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  2  0  0  0  0
-  4  7  1  0  0  0  0
-  7  8  1  0  0  0  0
-  7 12  1  0  0  0  0
-  7 16  1  0  0  0  0
-  8  9  1  0  0  0  0
-  8 10  1  0  0  0  0
-  8 11  1  0  0  0  0
- 12 13  1  0  0  0  0
- 12 14  1  0  0  0  0
- 12 15  1  0  0  0  0
- 16 17  1  0  0  0  0
- 16 18  1  0  0  0  0
- 16 19  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  2  0  0  0  0
- 22 23  1  0  0  0  0
- 22 24  1  0  0  0  0
- 24 25  1  0  0  0  0
- 24 29  2  0  0  0  0
- 25 26  1  0  0  0  0
- 26 27  2  0  0  0  0
- 26 30  1  0  0  0  0
- 27 28  1  0  0  0  0
- 27 29  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 36  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 33  2  0  0  0  0
- 33 34  1  0  0  0  0
- 33 37  1  0  0  0  0
- 34 35  1  0  0  0  0
- 34 36  2  0  0  0  0
- 37 38  2  0  0  0  0
- 37 45  1  0  0  0  0
- 38 39  1  0  0  0  0
- 38 40  1  0  0  0  0
- 40 41  2  0  0  0  0
- 40 50  1  0  0  0  0
- 41 42  1  0  0  0  0
- 41 43  1  0  0  0  0
- 43 44  1  0  0  0  0
- 43 45  2  0  0  0  0
- 45 46  1  0  0  0  0
- 46 47  1  0  0  0  0
- 46 48  1  0  0  0  0
- 46 49  1  0  0  0  0
- 50 51  2  0  0  0  0
- 50 52  1  0  0  0  0
- 52 53  1  0  0  0  0
- 52 57  1  0  0  0  0
- 53 54  1  0  0  0  0
- 53 55  1  0  0  0  0
- 53 56  1  0  0  0  0
- 57 58  1  0  0  0  0
- 57 59  1  0  0  0  0
- 57 62  1  0  0  0  0
- 59 60  1  0  0  0  0
- 59 61  1  0  0  0  0
- 59 62  1  0  0  0  0
- 62 63  1  0  0  0  0
- 62 64  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--9.00
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0011
-  -OEChem-05082202433D
-ITL:ligand0011
- 55 60  0     0  0  0  0  0  0999 V2000
-   12.5925    6.7874   -6.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1288    5.8485   -6.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.0993    5.9803   -5.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.3378    5.4904   -7.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.7203    6.3842   -8.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1538    4.2087   -8.0475 N   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4578    3.7765   -9.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6284    3.8388  -10.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.8360    4.0220   -9.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.8977    4.2476  -11.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5991    4.4990   -9.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.4220    2.6245   -9.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.9073    2.1930   -8.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.2093    1.9224  -10.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3387    3.2299   -7.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.8885    2.2890   -7.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.4267    3.0293   -7.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9750    3.6387   -5.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2689    3.0766   -4.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.3380    3.9787   -3.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9315    3.8903   -2.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0047    5.0695   -4.1394 N   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3781    4.8539   -5.4260 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6358    1.8150   -4.9192 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6961    1.3248   -4.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3423    1.8980   -3.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4052    0.0568   -4.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2083   -0.1597   -5.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2940   -1.0442   -6.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9317    0.9074   -5.8821 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5367   -0.9395   -3.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2167   -0.6743   -3.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.5904    0.7036   -3.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5165    0.6713   -3.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0256    1.3948   -2.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.7477    1.1034   -4.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4609   -1.7050   -2.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4533   -1.5066   -2.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0152   -2.9852   -2.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4317   -3.7453   -2.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3450   -3.2403   -2.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0749   -2.2249   -3.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0926   -2.4260   -3.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0493   -4.5144   -2.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2039   -4.4666   -2.1565 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3777   -5.6588   -2.7726 N   0  0  0  0  0  0  0  0  0  0  0  0
-    7.4351   -5.6205   -3.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9496   -6.9502   -2.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0356   -7.0059   -2.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.2108   -7.9464   -1.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2851   -7.6144   -1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.8086   -8.6288   -1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.2524   -8.1316   -3.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.8856   -8.9215   -3.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.3395   -7.9489   -3.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2 23  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  1  0  0  0  0
-  6  7  1  0  0  0  0
-  6 15  1  0  0  0  0
-  7  8  1  0  0  0  0
-  7  9  1  0  0  0  0
-  7 12  1  0  0  0  0
-  9 10  1  0  0  0  0
-  9 11  1  0  0  0  0
-  9 12  1  0  0  0  0
- 12 13  1  0  0  0  0
- 12 14  1  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 15 18  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 23  1  0  0  0  0
- 19 20  1  0  0  0  0
- 19 24  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  2  0  0  0  0
- 22 23  1  0  0  0  0
- 24 25  1  0  0  0  0
- 24 30  1  0  0  0  0
- 25 26  1  0  0  0  0
- 25 27  2  0  0  0  0
- 27 28  1  0  0  0  0
- 27 31  1  0  0  0  0
- 28 29  1  0  0  0  0
- 28 30  2  0  0  0  0
- 31 32  2  0  0  0  0
- 31 42  1  0  0  0  0
- 32 33  1  0  0  0  0
- 32 37  1  0  0  0  0
- 33 34  1  0  0  0  0
- 33 35  1  0  0  0  0
- 33 36  1  0  0  0  0
- 37 38  1  0  0  0  0
- 37 39  2  0  0  0  0
- 39 40  1  0  0  0  0
- 39 41  1  0  0  0  0
- 41 42  2  0  0  0  0
- 41 44  1  0  0  0  0
- 42 43  1  0  0  0  0
- 44 45  2  0  0  0  0
- 44 46  1  0  0  0  0
- 46 47  1  0  0  0  0
- 46 48  1  0  0  0  0
- 48 49  1  0  0  0  0
- 48 50  1  0  0  0  0
- 48 53  1  0  0  0  0
- 50 51  1  0  0  0  0
- 50 52  1  0  0  0  0
- 50 53  1  0  0  0  0
- 53 54  1  0  0  0  0
- 53 55  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--10.93
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0012
-  -OEChem-05082202433D
-ITL:ligand0012
- 48 52  0     0  0  0  0  0  0999 V2000
-   12.5734    6.8171   -6.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1030    5.8723   -6.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.0748    5.9807   -5.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.3060    5.5280   -7.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.8703    6.3372   -8.3958 O   0  0  0  0  0  0  0  0  0  0  0  0
-   12.8650    4.3505   -8.1390 N   0  0  0  0  0  0  0  0  0  0  0  0
-   13.0443    4.1640   -9.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.1633    3.3123   -7.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.7525    2.3961   -7.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2163    3.1097   -7.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9043    3.6739   -5.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2629    3.0829   -4.9011 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.3734    3.9731   -3.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.0084    3.8752   -2.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0429    5.0626   -4.1508 N   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3566    4.8730   -5.4562 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6325    1.8206   -4.9231 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6915    1.3350   -4.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3349    1.9090   -3.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4049    0.0642   -4.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2137   -0.1568   -5.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.3067   -1.0442   -6.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9370    0.9104   -5.8819 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5384   -0.9334   -3.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2182   -0.6711   -3.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.5903    0.7072   -3.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5103    0.6629   -3.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.9889    1.3855   -2.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.7874    1.1307   -4.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4608   -1.7045   -2.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4540   -1.5069   -2.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0168   -2.9813   -2.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4342   -3.7440   -2.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3461   -3.2297   -2.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0749   -2.2192   -3.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0895   -2.4261   -3.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0498   -4.5010   -2.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2093   -4.4557   -2.1528 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3707   -5.6453   -2.7476 N   0  0  0  0  0  0  0  0  0  0  0  0
-    7.4235   -5.6077   -3.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9374   -6.9391   -2.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0228   -7.0031   -2.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.1859   -7.9306   -1.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2567   -7.6013   -1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.7777   -8.6105   -1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.2432   -8.1167   -3.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
-    8.8700   -8.9140   -3.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.3376   -7.9309   -3.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2 16  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  1  0  0  0  0
-  6  7  1  0  0  0  0
-  6  8  1  0  0  0  0
-  8  9  1  0  0  0  0
-  8 10  1  0  0  0  0
-  8 11  1  0  0  0  0
- 11 12  2  0  0  0  0
- 11 16  1  0  0  0  0
- 12 13  1  0  0  0  0
- 12 17  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 23  1  0  0  0  0
- 18 19  1  0  0  0  0
- 18 20  2  0  0  0  0
- 20 21  1  0  0  0  0
- 20 24  1  0  0  0  0
- 21 22  1  0  0  0  0
- 21 23  2  0  0  0  0
- 24 25  2  0  0  0  0
- 24 35  1  0  0  0  0
- 25 26  1  0  0  0  0
- 25 30  1  0  0  0  0
- 26 27  1  0  0  0  0
- 26 28  1  0  0  0  0
- 26 29  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 32  2  0  0  0  0
- 32 33  1  0  0  0  0
- 32 34  1  0  0  0  0
- 34 35  2  0  0  0  0
- 34 37  1  0  0  0  0
- 35 36  1  0  0  0  0
- 37 38  2  0  0  0  0
- 37 39  1  0  0  0  0
- 39 40  1  0  0  0  0
- 39 41  1  0  0  0  0
- 41 42  1  0  0  0  0
- 41 43  1  0  0  0  0
- 41 46  1  0  0  0  0
- 43 44  1  0  0  0  0
- 43 45  1  0  0  0  0
- 43 46  1  0  0  0  0
- 46 47  1  0  0  0  0
- 46 48  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--11.26
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0013
-  -OEChem-05082202433D
-ITL:ligand0013
- 52 55  0     0  0  0  0  0  0999 V2000
-   11.5803    2.5662   -7.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9909    3.5033   -7.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6286    4.3964   -8.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.8035    4.0007   -9.8561 S   0  0  0  0  0  0  0  0  0  0  0  0
-   11.7004    3.0897  -10.1964 O   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9431    5.2721  -10.5824 O   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3932    3.0558  -10.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3150    1.7622   -9.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.2348    1.1797   -9.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4938    1.1226   -9.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.1615    1.9774   -8.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5610    3.9300   -9.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.6714    4.8231  -10.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4126    4.2537   -8.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
-   16.5057    3.3887   -9.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.5942    2.7039  -11.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6985    3.6023  -12.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4932    2.1025  -11.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.7483    2.1377  -11.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1638    5.6019   -7.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.6828    6.2924   -8.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.0240    5.9055   -6.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4263    6.8283   -5.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3534    5.0027   -5.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.8512    3.7966   -5.9657 N   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2612    3.1154   -4.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.4010    3.8972   -3.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.0749    3.7072   -2.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0749    5.0693   -4.1070 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6340    1.8461   -4.9175 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.6980    1.3517   -4.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3301    1.9261   -3.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4234    0.0740   -4.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2333   -0.1456   -5.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.3305   -1.0359   -6.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9515    0.9261   -5.8611 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5534   -0.9244   -3.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0886   -2.2105   -3.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0968   -2.4270   -3.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3595   -3.2218   -2.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0187   -2.9721   -2.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4294   -3.7474   -2.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.4666   -1.6916   -2.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.4481   -1.5023   -2.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2305   -0.6571   -3.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.6011    0.7194   -3.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5168    0.6734   -3.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.9879    1.4021   -2.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.8179    1.1330   -4.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0357   -4.5163   -2.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2216   -4.4652   -2.1506 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3905   -5.5843   -2.6280 O   0  5  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 25  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  2  0  0  0  0
-  4  7  1  0  0  0  0
-  7  8  1  0  0  0  0
-  7 12  1  0  0  0  0
-  7 16  1  0  0  0  0
-  8  9  1  0  0  0  0
-  8 10  1  0  0  0  0
-  8 11  1  0  0  0  0
- 12 13  1  0  0  0  0
- 12 14  1  0  0  0  0
- 12 15  1  0  0  0  0
- 16 17  1  0  0  0  0
- 16 18  1  0  0  0  0
- 16 19  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  2  0  0  0  0
- 22 23  1  0  0  0  0
- 22 24  1  0  0  0  0
- 24 25  1  0  0  0  0
- 24 29  2  0  0  0  0
- 25 26  1  0  0  0  0
- 26 27  2  0  0  0  0
- 26 30  1  0  0  0  0
- 27 28  1  0  0  0  0
- 27 29  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 36  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 33  2  0  0  0  0
- 33 34  1  0  0  0  0
- 33 37  1  0  0  0  0
- 34 35  1  0  0  0  0
- 34 36  2  0  0  0  0
- 37 38  2  0  0  0  0
- 37 45  1  0  0  0  0
- 38 39  1  0  0  0  0
- 38 40  1  0  0  0  0
- 40 41  2  0  0  0  0
- 40 50  1  0  0  0  0
- 41 42  1  0  0  0  0
- 41 43  1  0  0  0  0
- 43 44  1  0  0  0  0
- 43 45  2  0  0  0  0
- 45 46  1  0  0  0  0
- 46 47  1  0  0  0  0
- 46 48  1  0  0  0  0
- 46 49  1  0  0  0  0
- 50 51  2  0  0  0  0
- 50 52  1  0  0  0  0
-M  CHG  1  52  -1
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--7.87
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
-ligand0014
-  -OEChem-05082202433D
-ITL:3260_Nuv0101_conf1
- 60 63  0     0  0  0  0  0  0999 V2000
-   11.5636    2.5889   -7.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
-   11.9824    3.5229   -7.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.6318    4.4079   -8.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
-   12.8140    4.0070   -9.8716 S   0  0  0  0  0  0  0  0  0  0  0  0
-   12.9640    5.2781  -10.6006 O   0  0  0  0  0  0  0  0  0  0  0  0
-   11.7115    3.1031  -10.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
-   14.4015    3.0510  -10.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6039    2.6913  -11.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5274    2.1302  -11.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.6595    3.5862  -12.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.7806    2.0834  -11.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.5691    3.9246   -9.5377 C   0  0  0  0  0  0  0  0  0  0  0  0
-   15.6675    4.8298  -10.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.4228    4.2210   -8.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
-   16.5207    3.3947   -9.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.3153    1.7615   -9.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4989    1.1208   -9.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
-   15.2361    1.1813   -9.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
-   14.1529    1.9814   -8.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.1664    5.6134   -7.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.6859    6.3021   -8.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
-   13.0272    5.9164   -6.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
-   13.4329    6.8362   -5.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.3561    5.0146   -5.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.8511    3.8112   -5.9814 N   0  0  0  0  0  0  0  0  0  0  0  0
-   11.2649    3.1280   -4.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.4088    3.9016   -3.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
-   11.0859    3.7061   -2.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
-   12.0885    5.0731   -4.1165 N   0  0  0  0  0  0  0  0  0  0  0  0
-   10.6349    1.8625   -4.9375 N   0  0  0  0  0  0  0  0  0  0  0  0
-    9.7092    1.3618   -4.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.3478    1.9310   -3.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.4314    0.0905   -4.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2411   -0.1256   -5.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.3422   -1.0114   -6.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
-   10.9496    0.9502   -5.8862 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.5604   -0.9148   -3.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
-    9.1113   -2.1934   -3.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.1185   -2.4040   -3.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3841   -3.1932   -2.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0516   -2.9284   -2.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.5170   -3.5558   -1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.5001   -1.6481   -2.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5170   -1.4292   -2.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.2462   -0.6399   -3.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.6162    0.7433   -3.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
-    5.5336    0.7002   -3.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0130    1.4282   -2.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.8153    1.1692   -4.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
-    9.0689   -4.4810   -2.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.2225   -4.4858   -2.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
-    8.3940   -5.6322   -2.6952 N   0  0  0  0  0  0  0  0  0  0  0  0
-    8.9967   -6.9366   -2.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
-   10.0731   -6.9220   -2.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.8097   -7.2936   -1.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
-    8.6027   -7.6804   -3.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.0929   -5.6864   -3.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
-    6.3068   -5.0071   -2.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
-    7.3379   -5.6414   -4.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
-    6.6726   -6.6057   -2.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 25  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  6  2  0  0  0  0
-  4  7  1  0  0  0  0
-  7  8  1  0  0  0  0
-  7 12  1  0  0  0  0
-  7 16  1  0  0  0  0
-  8  9  1  0  0  0  0
-  8 10  1  0  0  0  0
-  8 11  1  0  0  0  0
- 12 13  1  0  0  0  0
- 12 14  1  0  0  0  0
- 12 15  1  0  0  0  0
- 16 17  1  0  0  0  0
- 16 18  1  0  0  0  0
- 16 19  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  2  0  0  0  0
- 22 23  1  0  0  0  0
- 22 24  1  0  0  0  0
- 24 25  1  0  0  0  0
- 24 29  2  0  0  0  0
- 25 26  1  0  0  0  0
- 26 27  2  0  0  0  0
- 26 30  1  0  0  0  0
- 27 28  1  0  0  0  0
- 27 29  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 36  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 33  2  0  0  0  0
- 33 34  1  0  0  0  0
- 33 37  1  0  0  0  0
- 34 35  1  0  0  0  0
- 34 36  2  0  0  0  0
- 37 38  2  0  0  0  0
- 37 45  1  0  0  0  0
- 38 39  1  0  0  0  0
- 38 40  1  0  0  0  0
- 40 41  2  0  0  0  0
- 40 50  1  0  0  0  0
- 41 42  1  0  0  0  0
- 41 43  1  0  0  0  0
- 43 44  1  0  0  0  0
- 43 45  2  0  0  0  0
- 45 46  1  0  0  0  0
- 46 47  1  0  0  0  0
- 46 48  1  0  0  0  0
- 46 49  1  0  0  0  0
- 50 51  2  0  0  0  0
- 50 52  1  0  0  0  0
- 52 53  1  0  0  0  0
- 52 57  1  0  0  0  0
- 53 54  1  0  0  0  0
- 53 55  1  0  0  0  0
- 53 56  1  0  0  0  0
- 57 58  1  0  0  0  0
- 57 59  1  0  0  0  0
- 57 60  1  0  0  0  0
-M  END
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL>
--9.21
-
-> <EXP_BINDING_AFFINITY_IN_KCAL_PER_MOL_STDERR>
-0.1
-
-$$$$
diff --git a/examples/new-cli/ripk2_receptor.pdb b/examples/new-cli/ripk2_receptor.pdb
deleted file mode 100644
index bef9a86fe..000000000
--- a/examples/new-cli/ripk2_receptor.pdb
+++ /dev/null
@@ -1,4533 +0,0 @@
-TITLE     pRIPK2_NV-I099
-REMARK   4      COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006
-REMARK 888
-REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC)
-ATOM      1  CH3 ACE A   4       4.888 -15.610  22.438  1.00  0.00           C  
-ATOM      2  C   ACE A   4       4.536 -15.007  21.086  1.00  0.00           C  
-ATOM      3  O   ACE A   4       3.355 -14.917  20.757  1.00  0.00           O  
-ATOM      4 1H   ACE A   4       3.987 -15.905  22.978  1.00  0.00           H  
-ATOM      5 2H   ACE A   4       5.514 -16.492  22.311  1.00  0.00           H  
-ATOM      6 3H   ACE A   4       5.429 -14.886  23.047  1.00  0.00           H  
-ATOM      7  N   ALA A   5       5.561 -14.603  20.313  1.00160.41           N  
-ATOM      8  CA  ALA A   5       5.454 -13.968  18.993  1.00151.95           C  
-ATOM      9  C   ALA A   5       4.710 -12.622  19.067  1.00158.68           C  
-ATOM     10  O   ALA A   5       3.479 -12.593  19.028  1.00160.26           O  
-ATOM     11  CB  ALA A   5       4.810 -14.931  17.974  1.00143.13           C  
-ATOM     12  H1  ALA A   5       6.502 -14.720  20.658  1.00160.41           H  
-ATOM     13  HA  ALA A   5       6.475 -13.773  18.660  1.00151.95           H  
-ATOM     14  HB1 ALA A   5       4.815 -14.494  16.975  1.00143.13           H  
-ATOM     15  HB2 ALA A   5       5.363 -15.868  17.919  1.00143.13           H  
-ATOM     16  HB3 ALA A   5       3.775 -15.173  18.215  1.00143.13           H  
-ATOM     17  N   ILE A   6       5.481 -11.534  19.212  1.00156.20           N  
-ATOM     18  CA  ILE A   6       4.963 -10.186  19.447  1.00136.66           C  
-ATOM     19  C   ILE A   6       4.616  -9.531  18.093  1.00126.37           C  
-ATOM     20  O   ILE A   6       5.519  -9.128  17.359  1.00132.25           O  
-ATOM     21  CB  ILE A   6       6.006  -9.305  20.202  1.00136.70           C  
-ATOM     22  CG1 ILE A   6       6.691 -10.039  21.381  1.00138.75           C  
-ATOM     23  CG2 ILE A   6       5.397  -7.967  20.670  1.00138.36           C  
-ATOM     24  CD1 ILE A   6       5.746 -10.772  22.346  1.00140.32           C  
-ATOM     25  H   ILE A   6       6.485 -11.629  19.225  1.00156.20           H  
-ATOM     26  HA  ILE A   6       4.057 -10.247  20.053  1.00136.66           H  
-ATOM     27  HB  ILE A   6       6.817  -9.051  19.517  1.00136.70           H  
-ATOM     28 HG13 ILE A   6       7.313  -9.339  21.940  1.00138.75           H  
-ATOM     29 HG12 ILE A   6       7.391 -10.772  20.979  1.00138.75           H  
-ATOM     30 HG21 ILE A   6       6.138  -7.362  21.193  1.00138.36           H  
-ATOM     31 HG22 ILE A   6       5.036  -7.371  19.834  1.00138.36           H  
-ATOM     32 HG23 ILE A   6       4.559  -8.124  21.349  1.00138.36           H  
-ATOM     33 HD11 ILE A   6       6.200 -10.861  23.332  1.00140.32           H  
-ATOM     34 HD12 ILE A   6       4.800 -10.247  22.468  1.00140.32           H  
-ATOM     35 HD13 ILE A   6       5.525 -11.782  22.000  1.00140.32           H  
-ATOM     36  N   CYS A   7       3.313  -9.487  17.770  1.00124.48           N  
-ATOM     37  CA  CYS A   7       2.794  -9.023  16.479  1.00121.56           C  
-ATOM     38  C   CYS A   7       2.675  -7.490  16.413  1.00116.87           C  
-ATOM     39  O   CYS A   7       2.548  -6.828  17.443  1.00109.43           O  
-ATOM     40  CB  CYS A   7       1.426  -9.668  16.169  1.00120.53           C  
-ATOM     41  SG  CYS A   7       1.641 -11.415  15.729  1.00133.04           S  
-ATOM     42  H   CYS A   7       2.629  -9.846  18.420  1.00124.48           H  
-ATOM     43  HA  CYS A   7       3.494  -9.325  15.697  1.00121.56           H  
-ATOM     44  HB3 CYS A   7       0.941  -9.179  15.325  1.00120.53           H  
-ATOM     45  HB2 CYS A   7       0.748  -9.583  17.019  1.00120.53           H  
-ATOM     46  HG  CYS A   7       2.043 -11.819  16.937  1.00133.04           H  
-ATOM     47  N   SER A   8       2.679  -6.973  15.176  1.00120.50           N  
-ATOM     48  CA  SER A   8       2.417  -5.577  14.840  1.00125.86           C  
-ATOM     49  C   SER A   8       1.620  -5.552  13.537  1.00122.34           C  
-ATOM     50  O   SER A   8       2.131  -6.011  12.514  1.00138.92           O  
-ATOM     51  CB  SER A   8       3.744  -4.797  14.701  1.00132.07           C  
-ATOM     52  OG  SER A   8       3.544  -3.492  14.185  1.00130.64           O  
-ATOM     53  H   SER A   8       2.791  -7.590  14.385  1.00120.50           H  
-ATOM     54  HA  SER A   8       1.816  -5.112  15.623  1.00125.86           H  
-ATOM     55  HB3 SER A   8       4.432  -5.322  14.038  1.00132.07           H  
-ATOM     56  HB2 SER A   8       4.238  -4.718  15.670  1.00132.07           H  
-ATOM     57  HG  SER A   8       3.206  -3.558  13.289  1.00130.64           H  
-ATOM     58  N   ALA A   9       0.414  -4.964  13.588  1.00117.35           N  
-ATOM     59  CA  ALA A   9      -0.358  -4.627  12.398  1.00106.86           C  
-ATOM     60  C   ALA A   9       0.377  -3.553  11.586  1.00 96.37           C  
-ATOM     61  O   ALA A   9       0.869  -2.578  12.156  1.00 88.54           O  
-ATOM     62  CB  ALA A   9      -1.756  -4.141  12.809  1.00114.22           C  
-ATOM     63  H   ALA A   9       0.065  -4.605  14.464  1.00117.35           H  
-ATOM     64  HA  ALA A   9      -0.471  -5.528  11.793  1.00106.86           H  
-ATOM     65  HB1 ALA A   9      -2.358  -3.894  11.934  1.00114.22           H  
-ATOM     66  HB2 ALA A   9      -2.291  -4.910  13.365  1.00114.22           H  
-ATOM     67  HB3 ALA A   9      -1.705  -3.251  13.437  1.00114.22           H  
-ATOM     68  N   LEU A  10       0.438  -3.765  10.269  1.00 90.34           N  
-ATOM     69  CA  LEU A  10       0.948  -2.796   9.309  1.00 85.44           C  
-ATOM     70  C   LEU A  10      -0.126  -1.696   9.147  1.00 87.78           C  
-ATOM     71  O   LEU A  10      -1.265  -2.060   8.849  1.00100.19           O  
-ATOM     72  CB  LEU A  10       1.195  -3.585   8.006  1.00 87.26           C  
-ATOM     73  CG  LEU A  10       1.898  -2.813   6.877  1.00 92.87           C  
-ATOM     74  CD1 LEU A  10       3.353  -2.429   7.223  1.00 93.08           C  
-ATOM     75  CD2 LEU A  10       1.811  -3.589   5.553  1.00 98.79           C  
-ATOM     76  H   LEU A  10       0.019  -4.596   9.878  1.00 90.34           H  
-ATOM     77  HA  LEU A  10       1.896  -2.416   9.683  1.00 85.44           H  
-ATOM     78  HB3 LEU A  10       0.239  -3.967   7.646  1.00 87.26           H  
-ATOM     79  HB2 LEU A  10       1.796  -4.469   8.229  1.00 87.26           H  
-ATOM     80  HG  LEU A  10       1.324  -1.902   6.732  1.00 92.87           H  
-ATOM     81 HD11 LEU A  10       3.536  -1.373   7.028  1.00 93.08           H  
-ATOM     82 HD12 LEU A  10       3.601  -2.615   8.266  1.00 93.08           H  
-ATOM     83 HD13 LEU A  10       4.070  -2.994   6.631  1.00 93.08           H  
-ATOM     84 HD21 LEU A  10       1.783  -2.902   4.708  1.00 98.79           H  
-ATOM     85 HD22 LEU A  10       2.656  -4.262   5.416  1.00 98.79           H  
-ATOM     86 HD23 LEU A  10       0.911  -4.201   5.494  1.00 98.79           H  
-ATOM     87  N   PRO A  11       0.205  -0.402   9.387  1.00 89.91           N  
-ATOM     88  CA  PRO A  11      -0.755   0.711   9.224  1.00 87.28           C  
-ATOM     89  C   PRO A  11      -1.495   0.708   7.880  1.00 96.01           C  
-ATOM     90  O   PRO A  11      -0.850   0.533   6.849  1.00 96.38           O  
-ATOM     91  CB  PRO A  11       0.118   1.971   9.352  1.00 93.00           C  
-ATOM     92  CG  PRO A  11       1.268   1.544  10.241  1.00 97.42           C  
-ATOM     93  CD  PRO A  11       1.511   0.099   9.826  1.00 96.05           C  
-ATOM     94  HA  PRO A  11      -1.463   0.663  10.053  1.00 87.28           H  
-ATOM     95  HB3 PRO A  11      -0.427   2.821   9.763  1.00 93.00           H  
-ATOM     96  HB2 PRO A  11       0.518   2.277   8.384  1.00 93.00           H  
-ATOM     97  HG3 PRO A  11       0.946   1.573  11.282  1.00 97.42           H  
-ATOM     98  HG2 PRO A  11       2.151   2.177  10.144  1.00 97.42           H  
-ATOM     99  HD2 PRO A  11       2.205   0.051   8.987  1.00 96.05           H  
-ATOM    100  HD3 PRO A  11       1.932  -0.463  10.659  1.00 96.05           H  
-ATOM    101  N   THR A  12      -2.824   0.887   7.918  1.00107.91           N  
-ATOM    102  CA  THR A  12      -3.601   1.127   6.706  1.00106.88           C  
-ATOM    103  C   THR A  12      -3.635   2.643   6.434  1.00 95.29           C  
-ATOM    104  O   THR A  12      -3.934   3.419   7.341  1.00 89.76           O  
-ATOM    105  CB  THR A  12      -5.035   0.554   6.778  1.00109.97           C  
-ATOM    106  OG1 THR A  12      -4.935  -0.846   6.962  1.00 94.69           O  
-ATOM    107  CG2 THR A  12      -5.870   0.783   5.504  1.00111.07           C  
-ATOM    108  H   THR A  12      -3.301   1.020   8.798  1.00107.91           H  
-ATOM    109  HA  THR A  12      -3.117   0.612   5.885  1.00106.88           H  
-ATOM    110  HB  THR A  12      -5.563   0.970   7.636  1.00109.97           H  
-ATOM    111  HG1 THR A  12      -4.426  -1.015   7.758  1.00 94.69           H  
-ATOM    112 HG21 THR A  12      -6.834   0.277   5.571  1.00111.07           H  
-ATOM    113 HG22 THR A  12      -6.076   1.839   5.335  1.00111.07           H  
-ATOM    114 HG23 THR A  12      -5.358   0.399   4.621  1.00111.07           H  
-ATOM    115  N   ILE A  13      -3.275   3.025   5.203  1.00 89.11           N  
-ATOM    116  CA  ILE A  13      -3.082   4.408   4.779  1.00 93.98           C  
-ATOM    117  C   ILE A  13      -4.178   4.736   3.742  1.00109.74           C  
-ATOM    118  O   ILE A  13      -4.245   4.047   2.729  1.00 99.78           O  
-ATOM    119  CB  ILE A  13      -1.677   4.579   4.128  1.00 91.77           C  
-ATOM    120  CG1 ILE A  13      -0.572   4.235   5.159  1.00100.57           C  
-ATOM    121  CG2 ILE A  13      -1.464   6.003   3.561  1.00 92.99           C  
-ATOM    122  CD1 ILE A  13       0.857   4.349   4.618  1.00104.49           C  
-ATOM    123  H   ILE A  13      -3.037   2.317   4.519  1.00 89.11           H  
-ATOM    124  HA  ILE A  13      -3.095   5.073   5.637  1.00 93.98           H  
-ATOM    125  HB  ILE A  13      -1.585   3.874   3.300  1.00 91.77           H  
-ATOM    126 HG13 ILE A  13      -0.705   3.222   5.537  1.00100.57           H  
-ATOM    127 HG12 ILE A  13      -0.668   4.891   6.024  1.00100.57           H  
-ATOM    128 HG21 ILE A  13      -0.478   6.121   3.115  1.00 92.99           H  
-ATOM    129 HG22 ILE A  13      -2.172   6.245   2.769  1.00 92.99           H  
-ATOM    130 HG23 ILE A  13      -1.573   6.759   4.338  1.00 92.99           H  
-ATOM    131 HD11 ILE A  13       1.573   3.855   5.270  1.00104.49           H  
-ATOM    132 HD12 ILE A  13       0.939   3.886   3.637  1.00104.49           H  
-ATOM    133 HD13 ILE A  13       1.173   5.388   4.531  1.00104.49           H  
-ATOM    134  N   PRO A  14      -5.043   5.742   3.999  1.00116.06           N  
-ATOM    135  CA  PRO A  14      -6.070   6.158   3.026  1.00100.50           C  
-ATOM    136  C   PRO A  14      -5.454   6.880   1.817  1.00 88.79           C  
-ATOM    137  O   PRO A  14      -4.583   7.723   2.028  1.00 84.94           O  
-ATOM    138  CB  PRO A  14      -6.981   7.111   3.825  1.00111.46           C  
-ATOM    139  CG  PRO A  14      -6.584   6.958   5.280  1.00115.20           C  
-ATOM    140  CD  PRO A  14      -5.127   6.539   5.218  1.00118.16           C  
-ATOM    141  HA  PRO A  14      -6.619   5.270   2.717  1.00100.50           H  
-ATOM    142  HB3 PRO A  14      -8.041   6.908   3.667  1.00111.46           H  
-ATOM    143  HB2 PRO A  14      -6.809   8.148   3.535  1.00111.46           H  
-ATOM    144  HG3 PRO A  14      -7.166   6.145   5.717  1.00115.20           H  
-ATOM    145  HG2 PRO A  14      -6.758   7.852   5.877  1.00115.20           H  
-ATOM    146  HD2 PRO A  14      -4.463   7.398   5.127  1.00118.16           H  
-ATOM    147  HD3 PRO A  14      -4.886   6.001   6.133  1.00118.16           H  
-ATOM    148  N   TYR A  15      -5.923   6.567   0.595  1.00 95.68           N  
-ATOM    149  CA  TYR A  15      -5.441   7.155  -0.667  1.00 97.37           C  
-ATOM    150  C   TYR A  15      -5.402   8.692  -0.677  1.00101.15           C  
-ATOM    151  O   TYR A  15      -4.490   9.260  -1.277  1.00104.61           O  
-ATOM    152  CB  TYR A  15      -6.274   6.623  -1.856  1.00102.66           C  
-ATOM    153  CG  TYR A  15      -5.974   7.244  -3.211  1.00108.26           C  
-ATOM    154  CD1 TYR A  15      -6.591   8.455  -3.593  1.00114.04           C  
-ATOM    155  CE1 TYR A  15      -6.267   9.061  -4.818  1.00114.80           C  
-ATOM    156  CZ  TYR A  15      -5.359   8.436  -5.692  1.00115.76           C  
-ATOM    157  OH  TYR A  15      -5.058   9.012  -6.890  1.00110.21           O  
-ATOM    158  CE2 TYR A  15      -4.761   7.216  -5.328  1.00116.87           C  
-ATOM    159  CD2 TYR A  15      -5.054   6.632  -4.083  1.00114.76           C  
-ATOM    160  H   TYR A  15      -6.662   5.880   0.505  1.00 95.68           H  
-ATOM    161  HA  TYR A  15      -4.415   6.809  -0.797  1.00 97.37           H  
-ATOM    162  HB3 TYR A  15      -7.331   6.806  -1.659  1.00102.66           H  
-ATOM    163  HB2 TYR A  15      -6.160   5.541  -1.932  1.00102.66           H  
-ATOM    164  HD1 TYR A  15      -7.298   8.937  -2.934  1.00114.04           H  
-ATOM    165  HE1 TYR A  15      -6.732   9.997  -5.091  1.00114.80           H  
-ATOM    166  HH  TYR A  15      -5.517   9.842  -7.034  1.00110.21           H  
-ATOM    167  HE2 TYR A  15      -4.055   6.740  -5.992  1.00116.87           H  
-ATOM    168  HD2 TYR A  15      -4.556   5.723  -3.788  1.00114.76           H  
-ATOM    169  N   HIS A  16      -6.382   9.334  -0.018  1.00116.74           N  
-ATOM    170  CA  HIS A  16      -6.499  10.790   0.047  1.00110.48           C  
-ATOM    171  C   HIS A  16      -5.371  11.474   0.853  1.00108.54           C  
-ATOM    172  O   HIS A  16      -5.221  12.688   0.728  1.00 98.10           O  
-ATOM    173  CB  HIS A  16      -7.916  11.181   0.520  1.00105.23           C  
-ATOM    174  CG  HIS A  16      -8.220  10.956   1.981  1.00101.42           C  
-ATOM    175  ND1 HIS A  16      -8.874   9.838   2.474  1.00105.28           N  
-ATOM    176  CE1 HIS A  16      -8.998  10.010   3.793  1.00105.47           C  
-ATOM    177  NE2 HIS A  16      -8.479  11.154   4.224  1.00 99.63           N  
-ATOM    178  CD2 HIS A  16      -7.991  11.763   3.071  1.00 96.20           C  
-ATOM    179  H   HIS A  16      -7.093   8.801   0.460  1.00116.74           H  
-ATOM    180  HA  HIS A  16      -6.403  11.150  -0.979  1.00110.48           H  
-ATOM    181  HB3 HIS A  16      -8.663  10.656  -0.077  1.00105.23           H  
-ATOM    182  HB2 HIS A  16      -8.077  12.241   0.316  1.00105.23           H  
-ATOM    183  HD1 HIS A  16      -9.211   9.047   1.942  1.00105.28           H  
-ATOM    184  HE1 HIS A  16      -9.471   9.288   4.442  1.00105.47           H  
-ATOM    185  HD2 HIS A  16      -7.514  12.731   3.112  1.00 96.20           H  
-ATOM    186  N   LYS A  17      -4.585  10.696   1.624  1.00110.63           N  
-ATOM    187  CA  LYS A  17      -3.368  11.149   2.303  1.00104.42           C  
-ATOM    188  C   LYS A  17      -2.134  11.190   1.386  1.00 94.01           C  
-ATOM    189  O   LYS A  17      -1.160  11.833   1.765  1.00 96.70           O  
-ATOM    190  CB  LYS A  17      -3.069  10.261   3.535  1.00103.15           C  
-ATOM    191  CG  LYS A  17      -4.133  10.302   4.643  1.00111.84           C  
-ATOM    192  CD  LYS A  17      -4.317  11.693   5.264  1.00115.81           C  
-ATOM    193  CE  LYS A  17      -5.410  11.710   6.338  1.00118.75           C  
-ATOM    194  NZ  LYS A  17      -5.668  13.076   6.822  1.00125.18           N1+
-ATOM    195  H   LYS A  17      -4.773   9.703   1.677  1.00110.63           H  
-ATOM    196  HA  LYS A  17      -3.517  12.177   2.631  1.00104.42           H  
-ATOM    197  HB3 LYS A  17      -2.120  10.568   3.979  1.00103.15           H  
-ATOM    198  HB2 LYS A  17      -2.915   9.230   3.220  1.00103.15           H  
-ATOM    199  HG3 LYS A  17      -3.844   9.606   5.429  1.00111.84           H  
-ATOM    200  HG2 LYS A  17      -5.085   9.939   4.253  1.00111.84           H  
-ATOM    201  HD3 LYS A  17      -4.584  12.411   4.491  1.00115.81           H  
-ATOM    202  HD2 LYS A  17      -3.367  12.028   5.683  1.00115.81           H  
-ATOM    203  HE3 LYS A  17      -5.145  11.066   7.174  1.00118.75           H  
-ATOM    204  HE2 LYS A  17      -6.340  11.318   5.928  1.00118.75           H  
-ATOM    205  HZ1 LYS A  17      -4.816  13.437   7.240  1.00125.18           H  
-ATOM    206  HZ2 LYS A  17      -5.946  13.668   6.054  1.00125.18           H  
-ATOM    207  HZ3 LYS A  17      -6.396  13.057   7.521  1.00125.18           H  
-ATOM    208  N   LEU A  18      -2.177  10.527   0.220  1.00 93.77           N  
-ATOM    209  CA  LEU A  18      -1.065  10.454  -0.727  1.00 91.39           C  
-ATOM    210  C   LEU A  18      -1.155  11.618  -1.728  1.00 84.26           C  
-ATOM    211  O   LEU A  18      -1.686  11.448  -2.824  1.00103.41           O  
-ATOM    212  CB  LEU A  18      -1.082   9.080  -1.440  1.00 96.96           C  
-ATOM    213  CG  LEU A  18      -1.027   7.849  -0.509  1.00 96.08           C  
-ATOM    214  CD1 LEU A  18      -1.264   6.561  -1.312  1.00 90.66           C  
-ATOM    215  CD2 LEU A  18       0.280   7.767   0.302  1.00 90.79           C  
-ATOM    216  H   LEU A  18      -3.021  10.041  -0.052  1.00 93.77           H  
-ATOM    217  HA  LEU A  18      -0.118  10.547  -0.194  1.00 91.39           H  
-ATOM    218  HB3 LEU A  18      -0.249   9.030  -2.143  1.00 96.96           H  
-ATOM    219  HB2 LEU A  18      -1.982   9.002  -2.049  1.00 96.96           H  
-ATOM    220  HG  LEU A  18      -1.853   7.914   0.201  1.00 96.08           H  
-ATOM    221 HD11 LEU A  18      -1.234   5.683  -0.666  1.00 90.66           H  
-ATOM    222 HD12 LEU A  18      -2.238   6.571  -1.802  1.00 90.66           H  
-ATOM    223 HD13 LEU A  18      -0.508   6.429  -2.084  1.00 90.66           H  
-ATOM    224 HD21 LEU A  18       0.773   6.801   0.189  1.00 90.79           H  
-ATOM    225 HD22 LEU A  18       1.002   8.526   0.000  1.00 90.79           H  
-ATOM    226 HD23 LEU A  18       0.084   7.909   1.365  1.00 90.79           H  
-ATOM    227  N   ALA A  19      -0.628  12.787  -1.327  1.00 78.95           N  
-ATOM    228  CA  ALA A  19      -0.487  13.977  -2.170  1.00 86.43           C  
-ATOM    229  C   ALA A  19       0.644  13.822  -3.199  1.00 90.57           C  
-ATOM    230  O   ALA A  19       1.414  12.867  -3.107  1.00112.29           O  
-ATOM    231  CB  ALA A  19      -0.262  15.195  -1.263  1.00 82.60           C  
-ATOM    232  H   ALA A  19      -0.199  12.841  -0.414  1.00 78.95           H  
-ATOM    233  HA  ALA A  19      -1.415  14.127  -2.724  1.00 86.43           H  
-ATOM    234  HB1 ALA A  19       0.079  16.070  -1.816  1.00 82.60           H  
-ATOM    235  HB2 ALA A  19      -1.191  15.473  -0.764  1.00 82.60           H  
-ATOM    236  HB3 ALA A  19       0.462  14.985  -0.483  1.00 82.60           H  
-ATOM    237  N   ASP A  20       0.703  14.758  -4.164  1.00 95.19           N  
-ATOM    238  CA  ASP A  20       1.692  14.868  -5.254  1.00 93.60           C  
-ATOM    239  C   ASP A  20       2.125  13.519  -5.852  1.00 89.69           C  
-ATOM    240  O   ASP A  20       3.321  13.233  -5.921  1.00106.89           O  
-ATOM    241  CB  ASP A  20       2.923  15.747  -4.901  1.00101.29           C  
-ATOM    242  CG  ASP A  20       2.625  17.160  -4.378  1.00117.91           C  
-ATOM    243  OD1 ASP A  20       1.514  17.678  -4.631  1.00132.95           O  
-ATOM    244  OD2 ASP A  20       3.571  17.755  -3.819  1.00125.05           O1-
-ATOM    245  H   ASP A  20       0.028  15.507  -4.144  1.00 95.19           H  
-ATOM    246  HA  ASP A  20       1.164  15.369  -6.066  1.00 93.60           H  
-ATOM    247  HB3 ASP A  20       3.554  15.869  -5.783  1.00101.29           H  
-ATOM    248  HB2 ASP A  20       3.521  15.236  -4.144  1.00101.29           H  
-ATOM    249  N   LEU A  21       1.133  12.700  -6.242  1.00 82.41           N  
-ATOM    250  CA  LEU A  21       1.352  11.437  -6.940  1.00 85.27           C  
-ATOM    251  C   LEU A  21       2.006  11.709  -8.305  1.00 94.91           C  
-ATOM    252  O   LEU A  21       1.569  12.612  -9.018  1.00109.39           O  
-ATOM    253  CB  LEU A  21       0.013  10.668  -7.067  1.00 84.04           C  
-ATOM    254  CG  LEU A  21      -0.039   9.385  -6.212  1.00 90.93           C  
-ATOM    255  CD1 LEU A  21      -1.486   8.921  -5.986  1.00100.27           C  
-ATOM    256  CD2 LEU A  21       0.814   8.258  -6.820  1.00 93.01           C  
-ATOM    257  H   LEU A  21       0.173  12.987  -6.124  1.00 82.41           H  
-ATOM    258  HA  LEU A  21       2.032  10.848  -6.331  1.00 85.27           H  
-ATOM    259  HB3 LEU A  21      -0.207  10.414  -8.105  1.00 84.04           H  
-ATOM    260  HB2 LEU A  21      -0.807  11.322  -6.767  1.00 84.04           H  
-ATOM    261  HG  LEU A  21       0.361   9.620  -5.225  1.00 90.93           H  
-ATOM    262 HD11 LEU A  21      -1.521   7.943  -5.507  1.00100.27           H  
-ATOM    263 HD12 LEU A  21      -2.022   9.615  -5.339  1.00100.27           H  
-ATOM    264 HD13 LEU A  21      -2.033   8.852  -6.926  1.00100.27           H  
-ATOM    265 HD21 LEU A  21       0.243   7.343  -6.984  1.00 93.01           H  
-ATOM    266 HD22 LEU A  21       1.234   8.548  -7.782  1.00 93.01           H  
-ATOM    267 HD23 LEU A  21       1.644   8.011  -6.158  1.00 93.01           H  
-ATOM    268  N   ARG A  22       3.051  10.939  -8.621  1.00 98.11           N  
-ATOM    269  CA  ARG A  22       3.772  10.998  -9.886  1.00103.85           C  
-ATOM    270  C   ARG A  22       4.336   9.609 -10.149  1.00103.76           C  
-ATOM    271  O   ARG A  22       5.108   9.119  -9.329  1.00105.56           O  
-ATOM    272  CB  ARG A  22       4.925  12.031  -9.834  1.00106.90           C  
-ATOM    273  CG  ARG A  22       4.545  13.400 -10.410  1.00123.02           C  
-ATOM    274  CD  ARG A  22       5.766  14.319 -10.572  1.00134.93           C  
-ATOM    275  NE  ARG A  22       5.466  15.482 -11.423  1.00145.94           N  
-ATOM    276  CZ  ARG A  22       6.199  16.603 -11.552  1.00148.27           C  
-ATOM    277  NH1 ARG A  22       7.329  16.802 -10.857  1.00144.10           N  
-ATOM    278  NH2 ARG A  22       5.786  17.553 -12.400  1.00141.32           N1+
-ATOM    279  H   ARG A  22       3.389  10.261  -7.952  1.00 98.11           H  
-ATOM    280  HA  ARG A  22       3.086  11.239 -10.700  1.00103.85           H  
-ATOM    281  HB3 ARG A  22       5.755  11.668 -10.444  1.00106.90           H  
-ATOM    282  HB2 ARG A  22       5.326  12.123  -8.825  1.00106.90           H  
-ATOM    283  HG3 ARG A  22       3.871  13.858  -9.686  1.00123.02           H  
-ATOM    284  HG2 ARG A  22       3.981  13.315 -11.339  1.00123.02           H  
-ATOM    285  HD3 ARG A  22       6.664  13.786 -10.887  1.00134.93           H  
-ATOM    286  HD2 ARG A  22       5.980  14.737  -9.588  1.00134.93           H  
-ATOM    287  HE  ARG A  22       4.622  15.405 -11.970  1.00145.94           H  
-ATOM    288 HH12 ARG A  22       7.858  17.656 -10.961  1.00144.10           H  
-ATOM    289 HH11 ARG A  22       7.658  16.092 -10.220  1.00144.10           H  
-ATOM    290 HH22 ARG A  22       6.316  18.405 -12.511  1.00141.32           H  
-ATOM    291 HH21 ARG A  22       4.938  17.429 -12.933  1.00141.32           H  
-ATOM    292  N   TYR A  23       4.007   9.053 -11.326  1.00102.39           N  
-ATOM    293  CA  TYR A  23       4.637   7.874 -11.925  1.00 96.27           C  
-ATOM    294  C   TYR A  23       6.176   7.965 -11.878  1.00 93.08           C  
-ATOM    295  O   TYR A  23       6.727   8.957 -12.354  1.00 90.24           O  
-ATOM    296  CB  TYR A  23       4.107   7.734 -13.374  1.00103.65           C  
-ATOM    297  CG  TYR A  23       4.927   6.848 -14.297  1.00110.13           C  
-ATOM    298  CD1 TYR A  23       5.976   7.401 -15.063  1.00112.03           C  
-ATOM    299  CE1 TYR A  23       6.784   6.575 -15.862  1.00114.09           C  
-ATOM    300  CZ  TYR A  23       6.528   5.193 -15.921  1.00119.42           C  
-ATOM    301  OH  TYR A  23       7.309   4.389 -16.696  1.00114.67           O  
-ATOM    302  CE2 TYR A  23       5.469   4.642 -15.175  1.00118.03           C  
-ATOM    303  CD2 TYR A  23       4.674   5.465 -14.360  1.00116.51           C  
-ATOM    304  H   TYR A  23       3.364   9.546 -11.927  1.00102.39           H  
-ATOM    305  HA  TYR A  23       4.319   7.001 -11.354  1.00 96.27           H  
-ATOM    306  HB3 TYR A  23       4.079   8.720 -13.842  1.00103.65           H  
-ATOM    307  HB2 TYR A  23       3.073   7.387 -13.360  1.00103.65           H  
-ATOM    308  HD1 TYR A  23       6.183   8.460 -15.017  1.00112.03           H  
-ATOM    309  HE1 TYR A  23       7.596   7.005 -16.428  1.00114.09           H  
-ATOM    310  HH  TYR A  23       8.023   4.864 -17.128  1.00114.67           H  
-ATOM    311  HE2 TYR A  23       5.271   3.583 -15.212  1.00118.03           H  
-ATOM    312  HD2 TYR A  23       3.878   5.033 -13.773  1.00116.51           H  
-ATOM    313  N   LEU A  24       6.821   6.930 -11.321  1.00 83.34           N  
-ATOM    314  CA  LEU A  24       8.273   6.760 -11.329  1.00 90.66           C  
-ATOM    315  C   LEU A  24       8.669   5.736 -12.397  1.00 89.25           C  
-ATOM    316  O   LEU A  24       9.520   6.047 -13.228  1.00 89.10           O  
-ATOM    317  CB  LEU A  24       8.789   6.288  -9.951  1.00 88.00           C  
-ATOM    318  CG  LEU A  24       8.911   7.381  -8.877  1.00 84.00           C  
-ATOM    319  CD1 LEU A  24       9.246   6.731  -7.525  1.00 88.92           C  
-ATOM    320  CD2 LEU A  24       9.948   8.460  -9.248  1.00 85.33           C  
-ATOM    321  H   LEU A  24       6.292   6.154 -10.942  1.00 83.34           H  
-ATOM    322  HA  LEU A  24       8.763   7.698 -11.590  1.00 90.66           H  
-ATOM    323  HB3 LEU A  24       9.777   5.840 -10.068  1.00 88.00           H  
-ATOM    324  HB2 LEU A  24       8.160   5.482  -9.579  1.00 88.00           H  
-ATOM    325  HG  LEU A  24       7.940   7.866  -8.781  1.00 84.00           H  
-ATOM    326 HD11 LEU A  24       9.448   7.471  -6.756  1.00 88.92           H  
-ATOM    327 HD12 LEU A  24       8.413   6.128  -7.168  1.00 88.92           H  
-ATOM    328 HD13 LEU A  24      10.115   6.080  -7.599  1.00 88.92           H  
-ATOM    329 HD21 LEU A  24      10.696   8.594  -8.467  1.00 85.33           H  
-ATOM    330 HD22 LEU A  24      10.493   8.220 -10.161  1.00 85.33           H  
-ATOM    331 HD23 LEU A  24       9.464   9.425  -9.398  1.00 85.33           H  
-ATOM    332  N   SER A  25       8.064   4.537 -12.348  1.00 88.81           N  
-ATOM    333  CA  SER A  25       8.381   3.424 -13.242  1.00 93.96           C  
-ATOM    334  C   SER A  25       7.265   2.371 -13.237  1.00108.26           C  
-ATOM    335  O   SER A  25       6.395   2.394 -12.371  1.00 96.14           O  
-ATOM    336  CB  SER A  25       9.751   2.806 -12.870  1.00 94.94           C  
-ATOM    337  OG  SER A  25       9.653   1.892 -11.797  1.00 99.87           O  
-ATOM    338  H   SER A  25       7.366   4.348 -11.641  1.00 88.81           H  
-ATOM    339  HA  SER A  25       8.450   3.825 -14.253  1.00 93.96           H  
-ATOM    340  HB3 SER A  25      10.495   3.566 -12.629  1.00 94.94           H  
-ATOM    341  HB2 SER A  25      10.147   2.259 -13.725  1.00 94.94           H  
-ATOM    342  HG  SER A  25      10.158   2.243 -11.054  1.00 99.87           H  
-ATOM    343  N   ARG A  26       7.357   1.437 -14.192  1.00124.95           N  
-ATOM    344  CA  ARG A  26       6.514   0.252 -14.275  1.00131.96           C  
-ATOM    345  C   ARG A  26       7.409  -0.960 -14.546  1.00129.08           C  
-ATOM    346  O   ARG A  26       8.082  -1.009 -15.575  1.00140.45           O  
-ATOM    347  CB  ARG A  26       5.395   0.441 -15.324  1.00135.28           C  
-ATOM    348  CG  ARG A  26       5.838   0.982 -16.705  1.00142.62           C  
-ATOM    349  CD  ARG A  26       4.680   1.159 -17.700  1.00153.66           C  
-ATOM    350  NE  ARG A  26       3.741   2.230 -17.310  1.00170.70           N  
-ATOM    351  CZ  ARG A  26       3.613   3.459 -17.842  1.00166.31           C  
-ATOM    352  NH1 ARG A  26       4.371   3.882 -18.863  1.00155.17           N  
-ATOM    353  NH2 ARG A  26       2.691   4.287 -17.335  1.00156.45           N1+
-ATOM    354  H   ARG A  26       8.114   1.478 -14.859  1.00124.95           H  
-ATOM    355  HA  ARG A  26       6.038   0.071 -13.313  1.00131.96           H  
-ATOM    356  HB3 ARG A  26       4.667   1.133 -14.899  1.00135.28           H  
-ATOM    357  HB2 ARG A  26       4.859  -0.500 -15.451  1.00135.28           H  
-ATOM    358  HG3 ARG A  26       6.628   0.388 -17.163  1.00142.62           H  
-ATOM    359  HG2 ARG A  26       6.280   1.961 -16.536  1.00142.62           H  
-ATOM    360  HD3 ARG A  26       4.070   0.256 -17.663  1.00153.66           H  
-ATOM    361  HD2 ARG A  26       5.032   1.221 -18.729  1.00153.66           H  
-ATOM    362  HE  ARG A  26       3.139   1.994 -16.535  1.00170.70           H  
-ATOM    363 HH12 ARG A  26       4.249   4.806 -19.249  1.00155.17           H  
-ATOM    364 HH11 ARG A  26       5.082   3.276 -19.244  1.00155.17           H  
-ATOM    365 HH22 ARG A  26       2.576   5.216 -17.712  1.00156.45           H  
-ATOM    366 HH21 ARG A  26       2.109   3.996 -16.563  1.00156.45           H  
-ATOM    367  N   GLY A  27       7.388  -1.909 -13.602  1.00122.73           N  
-ATOM    368  CA  GLY A  27       7.999  -3.228 -13.730  1.00117.66           C  
-ATOM    369  C   GLY A  27       6.887  -4.278 -13.631  1.00131.57           C  
-ATOM    370  O   GLY A  27       5.697  -3.950 -13.612  1.00135.88           O  
-ATOM    371  H   GLY A  27       6.808  -1.772 -12.786  1.00122.73           H  
-ATOM    372  HA3 GLY A  27       8.712  -3.369 -12.918  1.00117.66           H  
-ATOM    373  HA2 GLY A  27       8.538  -3.353 -14.670  1.00117.66           H  
-ATOM    374  N   ALA A  28       7.286  -5.556 -13.536  1.00138.59           N  
-ATOM    375  CA  ALA A  28       6.394  -6.656 -13.166  1.00136.77           C  
-ATOM    376  C   ALA A  28       5.970  -6.530 -11.692  1.00144.20           C  
-ATOM    377  O   ALA A  28       6.752  -6.040 -10.878  1.00153.18           O  
-ATOM    378  CB  ALA A  28       7.107  -7.991 -13.424  1.00132.43           C  
-ATOM    379  H   ALA A  28       8.270  -5.775 -13.566  1.00138.59           H  
-ATOM    380  HA  ALA A  28       5.504  -6.612 -13.796  1.00136.77           H  
-ATOM    381  HB1 ALA A  28       6.463  -8.836 -13.178  1.00132.43           H  
-ATOM    382  HB2 ALA A  28       7.386  -8.089 -14.473  1.00132.43           H  
-ATOM    383  HB3 ALA A  28       8.015  -8.082 -12.828  1.00132.43           H  
-ATOM    384  N   SER A  29       4.735  -6.961 -11.391  1.00141.19           N  
-ATOM    385  CA  SER A  29       4.078  -6.895 -10.079  1.00134.94           C  
-ATOM    386  C   SER A  29       3.548  -5.502  -9.675  1.00116.71           C  
-ATOM    387  O   SER A  29       2.882  -5.425  -8.642  1.00106.97           O  
-ATOM    388  CB  SER A  29       4.907  -7.584  -8.960  1.00138.46           C  
-ATOM    389  OG  SER A  29       5.667  -6.689  -8.167  1.00139.54           O  
-ATOM    390  H   SER A  29       4.170  -7.354 -12.130  1.00141.19           H  
-ATOM    391  HA  SER A  29       3.187  -7.509 -10.217  1.00134.94           H  
-ATOM    392  HB3 SER A  29       5.562  -8.355  -9.365  1.00138.46           H  
-ATOM    393  HB2 SER A  29       4.226  -8.099  -8.281  1.00138.46           H  
-ATOM    394  HG  SER A  29       5.681  -7.030  -7.268  1.00139.54           H  
-ATOM    395  N   GLY A  30       3.785  -4.450 -10.482  1.00101.86           N  
-ATOM    396  CA  GLY A  30       3.097  -3.179 -10.281  1.00108.67           C  
-ATOM    397  C   GLY A  30       3.838  -1.974 -10.871  1.00108.32           C  
-ATOM    398  O   GLY A  30       5.054  -1.993 -11.062  1.00109.48           O  
-ATOM    399  H   GLY A  30       4.364  -4.548 -11.303  1.00101.86           H  
-ATOM    400  HA3 GLY A  30       2.975  -2.980  -9.216  1.00108.67           H  
-ATOM    401  HA2 GLY A  30       2.100  -3.258 -10.713  1.00108.67           H  
-ATOM    402  N   THR A  31       3.064  -0.892 -11.075  1.00113.00           N  
-ATOM    403  CA  THR A  31       3.529   0.473 -11.322  1.00113.97           C  
-ATOM    404  C   THR A  31       3.922   1.121  -9.992  1.00100.33           C  
-ATOM    405  O   THR A  31       3.202   0.946  -9.018  1.00 99.11           O  
-ATOM    406  CB  THR A  31       2.419   1.371 -11.930  1.00112.12           C  
-ATOM    407  OG1 THR A  31       2.038   0.857 -13.176  1.00124.73           O  
-ATOM    408  CG2 THR A  31       2.824   2.831 -12.198  1.00101.44           C  
-ATOM    409  H   THR A  31       2.088  -0.957 -10.820  1.00113.00           H  
-ATOM    410  HA  THR A  31       4.387   0.453 -11.990  1.00113.97           H  
-ATOM    411  HB  THR A  31       1.535   1.349 -11.292  1.00112.12           H  
-ATOM    412  HG1 THR A  31       1.623   0.003 -13.033  1.00124.73           H  
-ATOM    413 HG21 THR A  31       2.049   3.358 -12.753  1.00101.44           H  
-ATOM    414 HG22 THR A  31       2.985   3.390 -11.276  1.00101.44           H  
-ATOM    415 HG23 THR A  31       3.741   2.880 -12.784  1.00101.44           H  
-ATOM    416  N   VAL A  32       5.033   1.865  -9.996  1.00 96.79           N  
-ATOM    417  CA  VAL A  32       5.611   2.525  -8.834  1.00 91.60           C  
-ATOM    418  C   VAL A  32       5.554   4.048  -9.043  1.00 85.04           C  
-ATOM    419  O   VAL A  32       5.878   4.514 -10.133  1.00 70.64           O  
-ATOM    420  CB  VAL A  32       7.082   2.076  -8.618  1.00 96.10           C  
-ATOM    421  CG1 VAL A  32       7.815   2.834  -7.493  1.00 95.02           C  
-ATOM    422  CG2 VAL A  32       7.155   0.564  -8.336  1.00 97.59           C  
-ATOM    423  H   VAL A  32       5.546   1.989 -10.861  1.00 96.79           H  
-ATOM    424  HA  VAL A  32       5.054   2.244  -7.952  1.00 91.60           H  
-ATOM    425  HB  VAL A  32       7.639   2.256  -9.540  1.00 96.10           H  
-ATOM    426 HG11 VAL A  32       8.797   2.400  -7.303  1.00 95.02           H  
-ATOM    427 HG12 VAL A  32       7.982   3.880  -7.741  1.00 95.02           H  
-ATOM    428 HG13 VAL A  32       7.254   2.795  -6.559  1.00 95.02           H  
-ATOM    429 HG21 VAL A  32       8.184   0.241  -8.176  1.00 97.59           H  
-ATOM    430 HG22 VAL A  32       6.584   0.302  -7.446  1.00 97.59           H  
-ATOM    431 HG23 VAL A  32       6.764  -0.023  -9.167  1.00 97.59           H  
-ATOM    432  N   SER A  33       5.137   4.782  -8.001  1.00 76.90           N  
-ATOM    433  CA  SER A  33       4.942   6.232  -8.012  1.00 78.32           C  
-ATOM    434  C   SER A  33       5.522   6.847  -6.732  1.00 74.58           C  
-ATOM    435  O   SER A  33       5.532   6.176  -5.706  1.00 73.87           O  
-ATOM    436  CB  SER A  33       3.431   6.525  -8.053  1.00 85.57           C  
-ATOM    437  OG  SER A  33       2.807   5.953  -9.179  1.00 82.98           O  
-ATOM    438  H   SER A  33       4.879   4.312  -7.142  1.00 76.90           H  
-ATOM    439  HA  SER A  33       5.442   6.671  -8.873  1.00 78.32           H  
-ATOM    440  HB3 SER A  33       3.265   7.600  -8.077  1.00 85.57           H  
-ATOM    441  HB2 SER A  33       2.935   6.139  -7.161  1.00 85.57           H  
-ATOM    442  HG  SER A  33       3.071   6.454  -9.954  1.00 82.98           H  
-ATOM    443  N   SER A  34       5.943   8.121  -6.801  1.00 75.13           N  
-ATOM    444  CA  SER A  34       6.347   8.934  -5.651  1.00 81.47           C  
-ATOM    445  C   SER A  34       5.156   9.778  -5.180  1.00 82.14           C  
-ATOM    446  O   SER A  34       4.362  10.215  -6.009  1.00 82.01           O  
-ATOM    447  CB  SER A  34       7.573   9.810  -6.018  1.00 83.93           C  
-ATOM    448  OG  SER A  34       7.260  11.114  -6.475  1.00 95.51           O  
-ATOM    449  H   SER A  34       5.871   8.613  -7.682  1.00 75.13           H  
-ATOM    450  HA  SER A  34       6.654   8.266  -4.847  1.00 81.47           H  
-ATOM    451  HB3 SER A  34       8.190   9.328  -6.773  1.00 83.93           H  
-ATOM    452  HB2 SER A  34       8.207   9.924  -5.139  1.00 83.93           H  
-ATOM    453  HG  SER A  34       6.794  11.041  -7.311  1.00 95.51           H  
-ATOM    454  N   ALA A  35       5.099  10.029  -3.871  1.00 90.15           N  
-ATOM    455  CA  ALA A  35       4.099  10.866  -3.220  1.00 90.60           C  
-ATOM    456  C   ALA A  35       4.730  11.557  -2.008  1.00 88.01           C  
-ATOM    457  O   ALA A  35       5.902  11.331  -1.707  1.00 96.17           O  
-ATOM    458  CB  ALA A  35       2.895   9.985  -2.830  1.00 86.01           C  
-ATOM    459  H   ALA A  35       5.807   9.645  -3.260  1.00 90.15           H  
-ATOM    460  HA  ALA A  35       3.770  11.651  -3.899  1.00 90.60           H  
-ATOM    461  HB1 ALA A  35       2.154  10.523  -2.241  1.00 86.01           H  
-ATOM    462  HB2 ALA A  35       2.389   9.610  -3.718  1.00 86.01           H  
-ATOM    463  HB3 ALA A  35       3.210   9.120  -2.248  1.00 86.01           H  
-ATOM    464  N   ARG A  36       3.920  12.363  -1.316  1.00 95.01           N  
-ATOM    465  CA  ARG A  36       4.178  12.787   0.053  1.00 96.39           C  
-ATOM    466  C   ARG A  36       2.920  12.456   0.873  1.00 86.95           C  
-ATOM    467  O   ARG A  36       1.808  12.578   0.360  1.00 98.78           O  
-ATOM    468  CB  ARG A  36       4.592  14.277   0.093  1.00 95.86           C  
-ATOM    469  CG  ARG A  36       3.557  15.253  -0.488  1.00113.16           C  
-ATOM    470  CD  ARG A  36       3.903  16.732  -0.251  1.00124.58           C  
-ATOM    471  NE  ARG A  36       2.712  17.587  -0.389  1.00129.03           N  
-ATOM    472  CZ  ARG A  36       1.718  17.704   0.513  1.00127.83           C  
-ATOM    473  NH1 ARG A  36       1.731  17.033   1.675  1.00133.36           N  
-ATOM    474  NH2 ARG A  36       0.680  18.504   0.245  1.00135.19           N1+
-ATOM    475  H   ARG A  36       2.980  12.525  -1.655  1.00 95.01           H  
-ATOM    476  HA  ARG A  36       4.991  12.194   0.467  1.00 96.39           H  
-ATOM    477  HB3 ARG A  36       5.537  14.401  -0.437  1.00 95.86           H  
-ATOM    478  HB2 ARG A  36       4.797  14.546   1.130  1.00 95.86           H  
-ATOM    479  HG3 ARG A  36       2.560  15.024  -0.131  1.00113.16           H  
-ATOM    480  HG2 ARG A  36       3.535  15.081  -1.565  1.00113.16           H  
-ATOM    481  HD3 ARG A  36       4.557  17.058  -1.060  1.00124.58           H  
-ATOM    482  HD2 ARG A  36       4.453  16.904   0.674  1.00124.58           H  
-ATOM    483  HE  ARG A  36       2.622  18.056  -1.281  1.00129.03           H  
-ATOM    484 HH12 ARG A  36       0.956  17.093   2.317  1.00133.36           H  
-ATOM    485 HH11 ARG A  36       2.509  16.427   1.892  1.00133.36           H  
-ATOM    486 HH22 ARG A  36      -0.088  18.594   0.892  1.00135.19           H  
-ATOM    487 HH21 ARG A  36       0.651  19.018  -0.624  1.00135.19           H  
-ATOM    488  N   HIS A  37       3.117  12.026   2.127  1.00 80.00           N  
-ATOM    489  CA  HIS A  37       2.033  11.767   3.075  1.00 83.68           C  
-ATOM    490  C   HIS A  37       1.598  13.102   3.702  1.00 89.82           C  
-ATOM    491  O   HIS A  37       2.455  13.864   4.151  1.00 75.71           O  
-ATOM    492  CB  HIS A  37       2.522  10.756   4.128  1.00 81.12           C  
-ATOM    493  CG  HIS A  37       1.430  10.071   4.921  1.00 87.48           C  
-ATOM    494  ND1 HIS A  37       0.710  10.715   5.933  1.00 87.14           N  
-ATOM    495  CE1 HIS A  37      -0.119   9.794   6.409  1.00 85.98           C  
-ATOM    496  NE2 HIS A  37       0.008   8.619   5.798  1.00 82.69           N  
-ATOM    497  CD2 HIS A  37       0.983   8.770   4.829  1.00 87.17           C  
-ATOM    498  H   HIS A  37       4.060  11.930   2.481  1.00 80.00           H  
-ATOM    499  HA  HIS A  37       1.204  11.310   2.536  1.00 83.68           H  
-ATOM    500  HB3 HIS A  37       3.215  11.240   4.815  1.00 81.12           H  
-ATOM    501  HB2 HIS A  37       3.096   9.970   3.634  1.00 81.12           H  
-ATOM    502  HE1 HIS A  37      -0.826   9.964   7.205  1.00 85.98           H  
-ATOM    503  HD2 HIS A  37       1.288   7.957   4.186  1.00 87.17           H  
-ATOM    504  HE2 HIS A  37      -0.504   7.776   6.012  1.00 82.69           H  
-ATOM    505  N   ALA A  38       0.282  13.362   3.710  1.00 95.53           N  
-ATOM    506  CA  ALA A  38      -0.309  14.600   4.219  1.00 90.23           C  
-ATOM    507  C   ALA A  38      -0.119  14.797   5.731  1.00 85.10           C  
-ATOM    508  O   ALA A  38       0.100  15.933   6.147  1.00 78.86           O  
-ATOM    509  CB  ALA A  38      -1.795  14.660   3.836  1.00 94.93           C  
-ATOM    510  H   ALA A  38      -0.356  12.699   3.287  1.00 95.53           H  
-ATOM    511  HA  ALA A  38       0.194  15.428   3.717  1.00 90.23           H  
-ATOM    512  HB1 ALA A  38      -2.255  15.585   4.184  1.00 94.93           H  
-ATOM    513  HB2 ALA A  38      -1.924  14.616   2.755  1.00 94.93           H  
-ATOM    514  HB3 ALA A  38      -2.352  13.830   4.270  1.00 94.93           H  
-ATOM    515  N   ASP A  39      -0.178  13.707   6.515  1.00 80.58           N  
-ATOM    516  CA  ASP A  39      -0.038  13.735   7.976  1.00 89.20           C  
-ATOM    517  C   ASP A  39       1.413  13.587   8.439  1.00 97.32           C  
-ATOM    518  O   ASP A  39       1.823  14.330   9.328  1.00 91.91           O  
-ATOM    519  CB  ASP A  39      -0.885  12.667   8.711  1.00 99.20           C  
-ATOM    520  CG  ASP A  39      -2.391  12.684   8.430  1.00 99.97           C  
-ATOM    521  OD1 ASP A  39      -2.918  13.755   8.056  1.00103.72           O  
-ATOM    522  OD2 ASP A  39      -3.026  11.648   8.722  1.00 94.93           O1-
-ATOM    523  H   ASP A  39      -0.339  12.800   6.099  1.00 80.58           H  
-ATOM    524  HA  ASP A  39      -0.377  14.710   8.334  1.00 89.20           H  
-ATOM    525  HB3 ASP A  39      -0.774  12.804   9.787  1.00 99.20           H  
-ATOM    526  HB2 ASP A  39      -0.501  11.673   8.491  1.00 99.20           H  
-ATOM    527  N   TRP A  40       2.140  12.606   7.877  1.00 98.68           N  
-ATOM    528  CA  TRP A  40       3.472  12.213   8.349  1.00 85.35           C  
-ATOM    529  C   TRP A  40       4.590  13.144   7.874  1.00 83.21           C  
-ATOM    530  O   TRP A  40       5.608  13.235   8.557  1.00 73.65           O  
-ATOM    531  CB  TRP A  40       3.772  10.756   7.961  1.00 84.88           C  
-ATOM    532  CG  TRP A  40       2.821   9.712   8.464  1.00 73.20           C  
-ATOM    533  CD1 TRP A  40       1.939   9.846   9.482  1.00 77.90           C  
-ATOM    534  NE1 TRP A  40       1.257   8.665   9.668  1.00 81.56           N  
-ATOM    535  CE2 TRP A  40       1.692   7.690   8.800  1.00 72.21           C  
-ATOM    536  CD2 TRP A  40       2.700   8.331   8.016  1.00 74.93           C  
-ATOM    537  CE3 TRP A  40       3.333   7.556   7.020  1.00 70.06           C  
-ATOM    538  CZ3 TRP A  40       2.968   6.213   6.813  1.00 75.73           C  
-ATOM    539  CH2 TRP A  40       1.987   5.603   7.616  1.00 80.37           C  
-ATOM    540  CZ2 TRP A  40       1.336   6.346   8.613  1.00 77.87           C  
-ATOM    541  H   TRP A  40       1.725  12.023   7.163  1.00 98.68           H  
-ATOM    542  HA  TRP A  40       3.471  12.269   9.438  1.00 85.35           H  
-ATOM    543  HB3 TRP A  40       4.765  10.480   8.317  1.00 84.88           H  
-ATOM    544  HB2 TRP A  40       3.812  10.662   6.878  1.00 84.88           H  
-ATOM    545  HD1 TRP A  40       1.787  10.749  10.053  1.00 77.90           H  
-ATOM    546  HE1 TRP A  40       0.544   8.553  10.374  1.00 81.56           H  
-ATOM    547  HE3 TRP A  40       4.093   8.006   6.398  1.00 70.06           H  
-ATOM    548  HZ3 TRP A  40       3.436   5.653   6.022  1.00 75.73           H  
-ATOM    549  HH2 TRP A  40       1.729   4.565   7.466  1.00 80.37           H  
-ATOM    550  HZ2 TRP A  40       0.572   5.889   9.225  1.00 77.87           H  
-ATOM    551  N   ARG A  41       4.364  13.857   6.759  1.00 76.18           N  
-ATOM    552  CA  ARG A  41       5.232  14.919   6.237  1.00 75.05           C  
-ATOM    553  C   ARG A  41       6.558  14.404   5.664  1.00 72.92           C  
-ATOM    554  O   ARG A  41       7.587  15.062   5.816  1.00 72.59           O  
-ATOM    555  CB  ARG A  41       5.448  16.044   7.283  1.00 79.01           C  
-ATOM    556  CG  ARG A  41       4.170  16.565   7.966  1.00 77.81           C  
-ATOM    557  CD  ARG A  41       3.038  16.961   7.008  1.00 78.21           C  
-ATOM    558  NE  ARG A  41       3.423  18.114   6.180  1.00 85.83           N  
-ATOM    559  CZ  ARG A  41       2.692  18.707   5.224  1.00 83.45           C  
-ATOM    560  NH1 ARG A  41       1.474  18.267   4.885  1.00 79.98           N  
-ATOM    561  NH2 ARG A  41       3.191  19.778   4.599  1.00 77.36           N1+
-ATOM    562  H   ARG A  41       3.496  13.718   6.260  1.00 76.18           H  
-ATOM    563  HA  ARG A  41       4.702  15.342   5.384  1.00 75.05           H  
-ATOM    564  HB3 ARG A  41       5.950  16.883   6.801  1.00 79.01           H  
-ATOM    565  HB2 ARG A  41       6.136  15.713   8.061  1.00 79.01           H  
-ATOM    566  HG3 ARG A  41       4.450  17.435   8.562  1.00 77.81           H  
-ATOM    567  HG2 ARG A  41       3.801  15.848   8.695  1.00 77.81           H  
-ATOM    568  HD3 ARG A  41       2.127  17.169   7.569  1.00 78.21           H  
-ATOM    569  HD2 ARG A  41       2.799  16.136   6.339  1.00 78.21           H  
-ATOM    570  HE  ARG A  41       4.333  18.501   6.387  1.00 85.83           H  
-ATOM    571 HH12 ARG A  41       0.913  18.773   4.218  1.00 79.98           H  
-ATOM    572 HH11 ARG A  41       1.073  17.473   5.373  1.00 79.98           H  
-ATOM    573 HH22 ARG A  41       2.663  20.245   3.878  1.00 77.36           H  
-ATOM    574 HH21 ARG A  41       4.102  20.136   4.847  1.00 77.36           H  
-ATOM    575  N   VAL A  42       6.504  13.235   5.017  1.00 68.67           N  
-ATOM    576  CA  VAL A  42       7.650  12.577   4.402  1.00 75.96           C  
-ATOM    577  C   VAL A  42       7.286  12.203   2.965  1.00 72.55           C  
-ATOM    578  O   VAL A  42       6.116  11.932   2.685  1.00 70.10           O  
-ATOM    579  CB  VAL A  42       8.032  11.277   5.168  1.00 72.50           C  
-ATOM    580  CG1 VAL A  42       8.500  11.584   6.599  1.00 70.35           C  
-ATOM    581  CG2 VAL A  42       6.949  10.178   5.182  1.00 75.93           C  
-ATOM    582  H   VAL A  42       5.621  12.755   4.924  1.00 68.67           H  
-ATOM    583  HA  VAL A  42       8.514  13.243   4.368  1.00 75.96           H  
-ATOM    584  HB  VAL A  42       8.898  10.847   4.662  1.00 72.50           H  
-ATOM    585 HG11 VAL A  42       8.887  10.689   7.086  1.00 70.35           H  
-ATOM    586 HG12 VAL A  42       9.298  12.327   6.600  1.00 70.35           H  
-ATOM    587 HG13 VAL A  42       7.687  11.966   7.214  1.00 70.35           H  
-ATOM    588 HG21 VAL A  42       7.254   9.335   5.801  1.00 75.93           H  
-ATOM    589 HG22 VAL A  42       6.004  10.550   5.580  1.00 75.93           H  
-ATOM    590 HG23 VAL A  42       6.762   9.780   4.189  1.00 75.93           H  
-ATOM    591  N   GLN A  43       8.309  12.137   2.098  1.00 72.50           N  
-ATOM    592  CA  GLN A  43       8.198  11.482   0.800  1.00 71.55           C  
-ATOM    593  C   GLN A  43       8.041   9.969   0.985  1.00 68.45           C  
-ATOM    594  O   GLN A  43       8.641   9.401   1.898  1.00 64.57           O  
-ATOM    595  CB  GLN A  43       9.417  11.803  -0.082  1.00 80.98           C  
-ATOM    596  CG  GLN A  43       9.479  13.282  -0.499  1.00 85.32           C  
-ATOM    597  CD  GLN A  43      10.282  13.457  -1.784  1.00 97.20           C  
-ATOM    598  OE1 GLN A  43      11.510  13.455  -1.765  1.00101.04           O  
-ATOM    599  NE2 GLN A  43       9.584  13.595  -2.912  1.00 92.26           N  
-ATOM    600  H   GLN A  43       9.242  12.380   2.398  1.00 72.50           H  
-ATOM    601  HA  GLN A  43       7.307  11.868   0.309  1.00 71.55           H  
-ATOM    602  HB3 GLN A  43       9.355  11.182  -0.978  1.00 80.98           H  
-ATOM    603  HB2 GLN A  43      10.345  11.517   0.415  1.00 80.98           H  
-ATOM    604  HG3 GLN A  43       9.914  13.888   0.297  1.00 85.32           H  
-ATOM    605  HG2 GLN A  43       8.473  13.670  -0.663  1.00 85.32           H  
-ATOM    606 HE22 GLN A  43      10.068  13.709  -3.790  1.00 92.26           H  
-ATOM    607 HE21 GLN A  43       8.575  13.580  -2.899  1.00 92.26           H  
-ATOM    608  N   VAL A  44       7.227   9.351   0.126  1.00 65.62           N  
-ATOM    609  CA  VAL A  44       6.984   7.912   0.129  1.00 61.62           C  
-ATOM    610  C   VAL A  44       6.955   7.409  -1.321  1.00 64.70           C  
-ATOM    611  O   VAL A  44       6.933   8.211  -2.255  1.00 61.14           O  
-ATOM    612  CB  VAL A  44       5.650   7.545   0.850  1.00 74.96           C  
-ATOM    613  CG1 VAL A  44       5.605   8.056   2.298  1.00 73.95           C  
-ATOM    614  CG2 VAL A  44       4.364   7.949   0.106  1.00 79.31           C  
-ATOM    615  H   VAL A  44       6.771   9.878  -0.607  1.00 65.62           H  
-ATOM    616  HA  VAL A  44       7.809   7.393   0.621  1.00 61.62           H  
-ATOM    617  HB  VAL A  44       5.630   6.460   0.931  1.00 74.96           H  
-ATOM    618 HG11 VAL A  44       4.765   7.625   2.842  1.00 73.95           H  
-ATOM    619 HG12 VAL A  44       6.515   7.790   2.835  1.00 73.95           H  
-ATOM    620 HG13 VAL A  44       5.495   9.139   2.332  1.00 73.95           H  
-ATOM    621 HG21 VAL A  44       3.481   7.717   0.701  1.00 79.31           H  
-ATOM    622 HG22 VAL A  44       4.350   9.019  -0.098  1.00 79.31           H  
-ATOM    623 HG23 VAL A  44       4.252   7.418  -0.839  1.00 79.31           H  
-ATOM    624  N   ALA A  45       6.974   6.082  -1.473  1.00 62.90           N  
-ATOM    625  CA  ALA A  45       6.810   5.399  -2.747  1.00 71.50           C  
-ATOM    626  C   ALA A  45       5.624   4.442  -2.630  1.00 76.67           C  
-ATOM    627  O   ALA A  45       5.424   3.870  -1.565  1.00 72.95           O  
-ATOM    628  CB  ALA A  45       8.106   4.663  -3.103  1.00 81.09           C  
-ATOM    629  H   ALA A  45       7.019   5.487  -0.656  1.00 62.90           H  
-ATOM    630  HA  ALA A  45       6.601   6.121  -3.531  1.00 71.50           H  
-ATOM    631  HB1 ALA A  45       8.009   4.117  -4.041  1.00 81.09           H  
-ATOM    632  HB2 ALA A  45       8.933   5.364  -3.216  1.00 81.09           H  
-ATOM    633  HB3 ALA A  45       8.385   3.951  -2.331  1.00 81.09           H  
-ATOM    634  N   VAL A  46       4.854   4.308  -3.715  1.00 83.53           N  
-ATOM    635  CA  VAL A  46       3.601   3.558  -3.764  1.00 89.28           C  
-ATOM    636  C   VAL A  46       3.668   2.606  -4.963  1.00 82.20           C  
-ATOM    637  O   VAL A  46       4.014   3.072  -6.043  1.00 79.21           O  
-ATOM    638  CB  VAL A  46       2.378   4.496  -4.002  1.00 95.63           C  
-ATOM    639  CG1 VAL A  46       1.041   3.766  -3.761  1.00 94.48           C  
-ATOM    640  CG2 VAL A  46       2.433   5.781  -3.156  1.00 96.96           C  
-ATOM    641  H   VAL A  46       5.091   4.822  -4.554  1.00 83.53           H  
-ATOM    642  HA  VAL A  46       3.450   2.989  -2.849  1.00 89.28           H  
-ATOM    643  HB  VAL A  46       2.373   4.833  -5.040  1.00 95.63           H  
-ATOM    644 HG11 VAL A  46       0.196   4.443  -3.888  1.00 94.48           H  
-ATOM    645 HG12 VAL A  46       0.894   2.941  -4.458  1.00 94.48           H  
-ATOM    646 HG13 VAL A  46       0.988   3.359  -2.752  1.00 94.48           H  
-ATOM    647 HG21 VAL A  46       1.546   6.394  -3.314  1.00 96.96           H  
-ATOM    648 HG22 VAL A  46       2.494   5.553  -2.092  1.00 96.96           H  
-ATOM    649 HG23 VAL A  46       3.289   6.405  -3.414  1.00 96.96           H  
-ATOM    650  N   LYS A  47       3.316   1.325  -4.768  1.00 73.68           N  
-ATOM    651  CA  LYS A  47       3.272   0.319  -5.828  1.00 93.07           C  
-ATOM    652  C   LYS A  47       1.829  -0.176  -6.014  1.00 85.78           C  
-ATOM    653  O   LYS A  47       1.376  -0.993  -5.217  1.00 82.20           O  
-ATOM    654  CB  LYS A  47       4.272  -0.824  -5.545  1.00 95.27           C  
-ATOM    655  CG  LYS A  47       4.268  -1.922  -6.628  1.00 98.23           C  
-ATOM    656  CD  LYS A  47       5.210  -3.103  -6.359  1.00104.56           C  
-ATOM    657  CE  LYS A  47       6.622  -2.923  -6.933  1.00113.01           C  
-ATOM    658  NZ  LYS A  47       7.343  -4.207  -6.953  1.00114.27           N1+
-ATOM    659  H   LYS A  47       3.054   1.013  -3.842  1.00 73.68           H  
-ATOM    660  HA  LYS A  47       3.609   0.772  -6.748  1.00 93.07           H  
-ATOM    661  HB3 LYS A  47       4.051  -1.272  -4.575  1.00 95.27           H  
-ATOM    662  HB2 LYS A  47       5.277  -0.412  -5.471  1.00 95.27           H  
-ATOM    663  HG3 LYS A  47       4.486  -1.481  -7.601  1.00 98.23           H  
-ATOM    664  HG2 LYS A  47       3.265  -2.339  -6.720  1.00 98.23           H  
-ATOM    665  HD3 LYS A  47       4.749  -4.003  -6.770  1.00104.56           H  
-ATOM    666  HD2 LYS A  47       5.278  -3.277  -5.285  1.00104.56           H  
-ATOM    667  HE3 LYS A  47       7.182  -2.192  -6.349  1.00113.01           H  
-ATOM    668  HE2 LYS A  47       6.576  -2.556  -7.958  1.00113.01           H  
-ATOM    669  HZ1 LYS A  47       6.874  -4.856  -7.571  1.00114.27           H  
-ATOM    670  HZ2 LYS A  47       8.294  -4.064  -7.265  1.00114.27           H  
-ATOM    671  HZ3 LYS A  47       7.363  -4.596  -6.021  1.00114.27           H  
-ATOM    672  N   HIS A  48       1.160   0.309  -7.071  1.00105.69           N  
-ATOM    673  CA  HIS A  48      -0.180  -0.101  -7.518  1.00116.71           C  
-ATOM    674  C   HIS A  48      -0.090  -0.919  -8.822  1.00120.44           C  
-ATOM    675  O   HIS A  48       1.003  -1.331  -9.190  1.00112.08           O  
-ATOM    676  CB  HIS A  48      -1.088   1.141  -7.636  1.00118.24           C  
-ATOM    677  CG  HIS A  48      -0.510   2.294  -8.415  1.00125.68           C  
-ATOM    678  ND1 HIS A  48      -0.605   2.387  -9.806  1.00133.05           N  
-ATOM    679  CE1 HIS A  48       0.021   3.514 -10.115  1.00140.46           C  
-ATOM    680  NE2 HIS A  48       0.512   4.143  -9.050  1.00122.77           N  
-ATOM    681  CD2 HIS A  48       0.190   3.384  -7.943  1.00124.14           C  
-ATOM    682  H   HIS A  48       1.648   0.937  -7.696  1.00105.69           H  
-ATOM    683  HA  HIS A  48      -0.629  -0.770  -6.783  1.00116.71           H  
-ATOM    684  HB3 HIS A  48      -1.299   1.496  -6.629  1.00118.24           H  
-ATOM    685  HB2 HIS A  48      -2.061   0.884  -8.055  1.00118.24           H  
-ATOM    686  HE1 HIS A  48       0.135   3.875 -11.125  1.00140.46           H  
-ATOM    687  HD2 HIS A  48       0.491   3.663  -6.946  1.00124.14           H  
-ATOM    688  HE2 HIS A  48       1.068   4.990  -9.055  1.00122.77           H  
-ATOM    689  N   LEU A  49      -1.232  -1.209  -9.466  1.00135.32           N  
-ATOM    690  CA  LEU A  49      -1.338  -2.225 -10.518  1.00139.59           C  
-ATOM    691  C   LEU A  49      -0.974  -1.683 -11.914  1.00132.85           C  
-ATOM    692  O   LEU A  49      -1.842  -1.157 -12.608  1.00131.90           O  
-ATOM    693  CB  LEU A  49      -2.761  -2.844 -10.503  1.00140.10           C  
-ATOM    694  CG  LEU A  49      -3.370  -3.143  -9.113  1.00145.20           C  
-ATOM    695  CD1 LEU A  49      -4.709  -3.885  -9.265  1.00147.27           C  
-ATOM    696  CD2 LEU A  49      -2.421  -3.885  -8.151  1.00133.59           C  
-ATOM    697  H   LEU A  49      -2.103  -0.824  -9.132  1.00135.32           H  
-ATOM    698  HA  LEU A  49      -0.633  -3.028 -10.296  1.00139.59           H  
-ATOM    699  HB3 LEU A  49      -2.737  -3.760 -11.096  1.00140.10           H  
-ATOM    700  HB2 LEU A  49      -3.465  -2.185 -11.011  1.00140.10           H  
-ATOM    701  HG  LEU A  49      -3.604  -2.188  -8.642  1.00145.20           H  
-ATOM    702 HD11 LEU A  49      -5.067  -4.270  -8.310  1.00147.27           H  
-ATOM    703 HD12 LEU A  49      -5.480  -3.219  -9.651  1.00147.27           H  
-ATOM    704 HD13 LEU A  49      -4.627  -4.729  -9.950  1.00147.27           H  
-ATOM    705 HD21 LEU A  49      -2.885  -4.771  -7.718  1.00133.59           H  
-ATOM    706 HD22 LEU A  49      -1.506  -4.225  -8.634  1.00133.59           H  
-ATOM    707 HD23 LEU A  49      -2.131  -3.241  -7.320  1.00133.59           H  
-ATOM    708  N   NMA A  49A      0.287  -1.867 -12.331  1.00  0.00           N  
-ATOM    709  CA  NMA A  49A      0.685  -1.627 -13.711  1.00  0.00           C  
-ATOM    710  H   NMA A  49A      0.950  -2.325 -11.724  1.00  0.00           H  
-ATOM    711 1HA  NMA A  49A      0.261  -0.708 -14.116  1.00  0.00           H  
-ATOM    712 2HA  NMA A  49A      1.772  -1.604 -13.798  1.00  0.00           H  
-ATOM    713 3HA  NMA A  49A      0.336  -2.450 -14.334  1.00  0.00           H  
-ATOM    714  CH3 ACE A  54      -6.080  -2.618 -12.778  1.00  0.00           C  
-ATOM    715  C   ACE A  54      -7.533  -3.070 -12.696  1.00  0.00           C  
-ATOM    716  O   ACE A  54      -7.977  -3.810 -13.571  1.00  0.00           O  
-ATOM    717 1H   ACE A  54      -5.838  -2.300 -13.791  1.00  0.00           H  
-ATOM    718 2H   ACE A  54      -5.883  -1.784 -12.104  1.00  0.00           H  
-ATOM    719 3H   ACE A  54      -5.417  -3.439 -12.509  1.00  0.00           H  
-ATOM    720  N   LEU A  55      -8.262  -2.623 -11.654  1.00159.78           N  
-ATOM    721  CA  LEU A  55      -9.671  -2.950 -11.383  1.00168.47           C  
-ATOM    722  C   LEU A  55      -9.847  -4.462 -11.128  1.00173.45           C  
-ATOM    723  O   LEU A  55     -10.023  -5.208 -12.086  1.00172.14           O  
-ATOM    724  CB  LEU A  55     -10.569  -2.367 -12.520  1.00167.33           C  
-ATOM    725  CG  LEU A  55     -12.092  -2.637 -12.464  1.00159.41           C  
-ATOM    726  CD1 LEU A  55     -12.526  -3.972 -13.102  1.00146.93           C  
-ATOM    727  CD2 LEU A  55     -12.703  -2.412 -11.072  1.00154.38           C  
-ATOM    728  H1  LEU A  55      -7.823  -2.012 -10.982  1.00159.78           H  
-ATOM    729  HA  LEU A  55      -9.917  -2.435 -10.455  1.00168.47           H  
-ATOM    730  HB3 LEU A  55     -10.213  -2.668 -13.504  1.00167.33           H  
-ATOM    731  HB2 LEU A  55     -10.431  -1.286 -12.499  1.00167.33           H  
-ATOM    732  HG  LEU A  55     -12.523  -1.869 -13.106  1.00159.41           H  
-ATOM    733 HD11 LEU A  55     -13.426  -3.835 -13.700  1.00146.93           H  
-ATOM    734 HD12 LEU A  55     -11.766  -4.374 -13.772  1.00146.93           H  
-ATOM    735 HD13 LEU A  55     -12.748  -4.735 -12.357  1.00146.93           H  
-ATOM    736 HD21 LEU A  55     -13.675  -1.926 -11.154  1.00154.38           H  
-ATOM    737 HD22 LEU A  55     -12.852  -3.348 -10.533  1.00154.38           H  
-ATOM    738 HD23 LEU A  55     -12.084  -1.769 -10.448  1.00154.38           H  
-ATOM    739  N   LEU A  56      -9.747  -4.891  -9.858  1.00174.41           N  
-ATOM    740  CA  LEU A  56      -9.741  -6.308  -9.464  1.00172.70           C  
-ATOM    741  C   LEU A  56     -10.030  -6.499  -7.963  1.00163.78           C  
-ATOM    742  O   LEU A  56     -10.098  -5.524  -7.213  1.00140.17           O  
-ATOM    743  CB  LEU A  56      -8.381  -6.961  -9.849  1.00169.91           C  
-ATOM    744  CG  LEU A  56      -8.408  -7.816 -11.131  1.00162.05           C  
-ATOM    745  CD1 LEU A  56      -6.988  -8.276 -11.493  1.00158.32           C  
-ATOM    746  CD2 LEU A  56      -9.409  -8.987 -11.037  1.00156.10           C  
-ATOM    747  H   LEU A  56      -9.611  -4.229  -9.108  1.00174.41           H  
-ATOM    748  HA  LEU A  56     -10.562  -6.799  -9.988  1.00172.70           H  
-ATOM    749  HB3 LEU A  56      -8.008  -7.599  -9.047  1.00169.91           H  
-ATOM    750  HB2 LEU A  56      -7.619  -6.186  -9.948  1.00169.91           H  
-ATOM    751  HG  LEU A  56      -8.725  -7.206 -11.971  1.00162.05           H  
-ATOM    752 HD11 LEU A  56      -6.988  -9.191 -12.084  1.00158.32           H  
-ATOM    753 HD12 LEU A  56      -6.488  -7.520 -12.098  1.00158.32           H  
-ATOM    754 HD13 LEU A  56      -6.372  -8.440 -10.610  1.00158.32           H  
-ATOM    755 HD21 LEU A  56      -8.978  -9.930 -11.369  1.00156.10           H  
-ATOM    756 HD22 LEU A  56      -9.768  -9.142 -10.022  1.00156.10           H  
-ATOM    757 HD23 LEU A  56     -10.280  -8.800 -11.665  1.00156.10           H  
-ATOM    758  N   ASP A  57     -10.171  -7.779  -7.568  1.00159.08           N  
-ATOM    759  CA  ASP A  57     -10.380  -8.236  -6.192  1.00175.15           C  
-ATOM    760  C   ASP A  57      -9.790  -9.645  -5.965  1.00177.47           C  
-ATOM    761  O   ASP A  57      -9.330  -9.917  -4.858  1.00182.53           O  
-ATOM    762  CB  ASP A  57     -11.876  -8.159  -5.780  1.00175.43           C  
-ATOM    763  CG  ASP A  57     -12.198  -8.551  -4.327  1.00172.26           C  
-ATOM    764  OD1 ASP A  57     -12.350  -9.764  -4.059  1.00166.48           O  
-ATOM    765  OD2 ASP A  57     -12.150  -7.639  -3.475  1.00162.24           O1-
-ATOM    766  H   ASP A  57     -10.087  -8.506  -8.261  1.00159.08           H  
-ATOM    767  HA  ASP A  57      -9.820  -7.566  -5.538  1.00175.15           H  
-ATOM    768  HB3 ASP A  57     -12.466  -8.784  -6.452  1.00175.43           H  
-ATOM    769  HB2 ASP A  57     -12.246  -7.149  -5.960  1.00175.43           H  
-ATOM    770  N   SER A  58      -9.839 -10.524  -6.981  1.00164.95           N  
-ATOM    771  CA  SER A  58      -9.430 -11.932  -6.908  1.00158.10           C  
-ATOM    772  C   SER A  58      -8.003 -12.166  -6.378  1.00151.35           C  
-ATOM    773  O   SER A  58      -7.857 -12.849  -5.364  1.00117.38           O  
-ATOM    774  CB  SER A  58      -9.722 -12.625  -8.253  1.00157.16           C  
-ATOM    775  OG  SER A  58      -9.275 -11.867  -9.356  1.00149.17           O  
-ATOM    776  H   SER A  58     -10.241 -10.248  -7.863  1.00164.95           H  
-ATOM    777  HA  SER A  58     -10.093 -12.398  -6.177  1.00158.10           H  
-ATOM    778  HB3 SER A  58     -10.796 -12.772  -8.367  1.00157.16           H  
-ATOM    779  HB2 SER A  58      -9.267 -13.615  -8.290  1.00157.16           H  
-ATOM    780  HG  SER A  58      -8.320 -11.954  -9.462  1.00149.17           H  
-ATOM    781  N   GLU A  59      -7.002 -11.535  -7.013  1.00163.10           N  
-ATOM    782  CA  GLU A  59      -5.612 -11.504  -6.553  1.00153.45           C  
-ATOM    783  C   GLU A  59      -5.309 -10.187  -5.812  1.00139.86           C  
-ATOM    784  O   GLU A  59      -4.328  -9.510  -6.113  1.00127.87           O  
-ATOM    785  CB  GLU A  59      -4.647 -11.817  -7.719  1.00154.05           C  
-ATOM    786  CG  GLU A  59      -4.793 -10.930  -8.971  1.00163.82           C  
-ATOM    787  CD  GLU A  59      -5.533 -11.644 -10.102  1.00171.24           C  
-ATOM    788  OE1 GLU A  59      -6.672 -11.227 -10.383  1.00177.51           O  
-ATOM    789  OE2 GLU A  59      -4.962 -12.603 -10.663  1.00160.52           O1-
-ATOM    790  H   GLU A  59      -7.202 -10.987  -7.838  1.00163.10           H  
-ATOM    791  HA  GLU A  59      -5.451 -12.291  -5.815  1.00153.45           H  
-ATOM    792  HB3 GLU A  59      -4.739 -12.875  -7.967  1.00154.05           H  
-ATOM    793  HB2 GLU A  59      -3.620 -11.718  -7.382  1.00154.05           H  
-ATOM    794  HG3 GLU A  59      -3.801 -10.668  -9.341  1.00163.82           H  
-ATOM    795  HG2 GLU A  59      -5.273  -9.980  -8.732  1.00163.82           H  
-ATOM    796  N   ARG A  60      -6.156  -9.871  -4.820  1.00132.08           N  
-ATOM    797  CA  ARG A  60      -5.892  -8.875  -3.781  1.00132.01           C  
-ATOM    798  C   ARG A  60      -5.078  -9.503  -2.642  1.00136.51           C  
-ATOM    799  O   ARG A  60      -4.197  -8.839  -2.099  1.00130.23           O  
-ATOM    800  CB  ARG A  60      -7.238  -8.340  -3.267  1.00131.89           C  
-ATOM    801  CG  ARG A  60      -7.183  -7.349  -2.089  1.00133.48           C  
-ATOM    802  CD  ARG A  60      -8.577  -7.013  -1.543  1.00131.53           C  
-ATOM    803  NE  ARG A  60      -9.367  -6.252  -2.519  1.00134.77           N  
-ATOM    804  CZ  ARG A  60      -9.365  -4.923  -2.712  1.00133.64           C  
-ATOM    805  NH1 ARG A  60      -8.677  -4.083  -1.927  1.00135.82           N  
-ATOM    806  NH2 ARG A  60     -10.081  -4.422  -3.723  1.00124.62           N1+
-ATOM    807  H   ARG A  60      -6.981 -10.439  -4.686  1.00132.08           H  
-ATOM    808  HA  ARG A  60      -5.321  -8.045  -4.201  1.00132.01           H  
-ATOM    809  HB3 ARG A  60      -7.841  -9.190  -2.946  1.00131.89           H  
-ATOM    810  HB2 ARG A  60      -7.767  -7.883  -4.102  1.00131.89           H  
-ATOM    811  HG3 ARG A  60      -6.737  -6.435  -2.479  1.00133.48           H  
-ATOM    812  HG2 ARG A  60      -6.537  -7.653  -1.273  1.00133.48           H  
-ATOM    813  HD3 ARG A  60      -8.538  -6.556  -0.553  1.00131.53           H  
-ATOM    814  HD2 ARG A  60      -9.136  -7.940  -1.419  1.00131.53           H  
-ATOM    815  HE  ARG A  60      -9.981  -6.809  -3.102  1.00134.77           H  
-ATOM    816 HH12 ARG A  60      -8.717  -3.085  -2.089  1.00135.82           H  
-ATOM    817 HH11 ARG A  60      -8.134  -4.434  -1.150  1.00135.82           H  
-ATOM    818 HH22 ARG A  60     -10.113  -3.426  -3.887  1.00124.62           H  
-ATOM    819 HH21 ARG A  60     -10.602  -5.038  -4.331  1.00124.62           H  
-ATOM    820  N   LYS A  61      -5.380 -10.775  -2.321  1.00140.65           N  
-ATOM    821  CA  LYS A  61      -4.639 -11.618  -1.378  1.00144.73           C  
-ATOM    822  C   LYS A  61      -3.192 -11.857  -1.815  1.00139.19           C  
-ATOM    823  O   LYS A  61      -2.310 -11.859  -0.959  1.00126.29           O  
-ATOM    824  CB  LYS A  61      -5.399 -12.946  -1.151  1.00142.22           C  
-ATOM    825  CG  LYS A  61      -6.410 -12.909   0.009  1.00145.57           C  
-ATOM    826  CD  LYS A  61      -7.321 -11.672   0.018  1.00148.35           C  
-ATOM    827  CE  LYS A  61      -8.357 -11.687   1.144  1.00138.04           C  
-ATOM    828  NZ  LYS A  61      -9.066 -10.398   1.230  1.00135.01           N1+
-ATOM    829  H   LYS A  61      -6.130 -11.235  -2.817  1.00140.65           H  
-ATOM    830  HA  LYS A  61      -4.579 -11.081  -0.432  1.00144.73           H  
-ATOM    831  HB3 LYS A  61      -4.695 -13.746  -0.917  1.00142.22           H  
-ATOM    832  HB2 LYS A  61      -5.888 -13.258  -2.074  1.00142.22           H  
-ATOM    833  HG3 LYS A  61      -5.863 -12.951   0.951  1.00145.57           H  
-ATOM    834  HG2 LYS A  61      -7.022 -13.812  -0.023  1.00145.57           H  
-ATOM    835  HD3 LYS A  61      -7.828 -11.595  -0.945  1.00148.35           H  
-ATOM    836  HD2 LYS A  61      -6.719 -10.772   0.117  1.00148.35           H  
-ATOM    837  HE3 LYS A  61      -7.869 -11.870   2.101  1.00138.04           H  
-ATOM    838  HE2 LYS A  61      -9.079 -12.490   0.990  1.00138.04           H  
-ATOM    839  HZ1 LYS A  61      -9.546 -10.219   0.361  1.00135.01           H  
-ATOM    840  HZ2 LYS A  61      -9.739 -10.434   1.981  1.00135.01           H  
-ATOM    841  HZ3 LYS A  61      -8.403  -9.658   1.409  1.00135.01           H  
-ATOM    842  N   ASP A  62      -2.980 -11.968  -3.137  1.00140.79           N  
-ATOM    843  CA  ASP A  62      -1.680 -11.965  -3.807  1.00147.10           C  
-ATOM    844  C   ASP A  62      -0.794 -10.796  -3.322  1.00143.49           C  
-ATOM    845  O   ASP A  62       0.321 -11.038  -2.863  1.00148.24           O  
-ATOM    846  CB  ASP A  62      -1.890 -11.951  -5.338  1.00155.35           C  
-ATOM    847  CG  ASP A  62      -0.634 -12.077  -6.211  1.00160.16           C  
-ATOM    848  OD1 ASP A  62       0.011 -11.037  -6.463  1.00153.41           O  
-ATOM    849  OD2 ASP A  62      -0.275 -13.235  -6.514  1.00159.93           O1-
-ATOM    850  H   ASP A  62      -3.779 -11.952  -3.754  1.00140.79           H  
-ATOM    851  HA  ASP A  62      -1.181 -12.897  -3.537  1.00147.10           H  
-ATOM    852  HB3 ASP A  62      -2.397 -11.028  -5.609  1.00155.35           H  
-ATOM    853  HB2 ASP A  62      -2.586 -12.747  -5.604  1.00155.35           H  
-ATOM    854  N   VAL A  63      -1.346  -9.571  -3.379  1.00131.99           N  
-ATOM    855  CA  VAL A  63      -0.672  -8.326  -3.004  1.00113.32           C  
-ATOM    856  C   VAL A  63      -0.455  -8.175  -1.485  1.00114.43           C  
-ATOM    857  O   VAL A  63       0.610  -7.709  -1.082  1.00126.20           O  
-ATOM    858  CB  VAL A  63      -1.449  -7.084  -3.530  1.00105.78           C  
-ATOM    859  CG1 VAL A  63      -0.891  -5.724  -3.056  1.00 99.87           C  
-ATOM    860  CG2 VAL A  63      -1.524  -7.098  -5.066  1.00117.34           C  
-ATOM    861  H   VAL A  63      -2.279  -9.470  -3.751  1.00131.99           H  
-ATOM    862  HA  VAL A  63       0.314  -8.333  -3.475  1.00113.32           H  
-ATOM    863  HB  VAL A  63      -2.474  -7.142  -3.167  1.00105.78           H  
-ATOM    864 HG11 VAL A  63      -1.387  -4.899  -3.564  1.00 99.87           H  
-ATOM    865 HG12 VAL A  63      -1.036  -5.561  -1.989  1.00 99.87           H  
-ATOM    866 HG13 VAL A  63       0.174  -5.641  -3.273  1.00 99.87           H  
-ATOM    867 HG21 VAL A  63      -2.040  -6.220  -5.451  1.00117.34           H  
-ATOM    868 HG22 VAL A  63      -0.528  -7.112  -5.509  1.00117.34           H  
-ATOM    869 HG23 VAL A  63      -2.061  -7.972  -5.435  1.00117.34           H  
-ATOM    870  N   LEU A  64      -1.445  -8.571  -0.666  1.00110.24           N  
-ATOM    871  CA  LEU A  64      -1.369  -8.531   0.801  1.00113.52           C  
-ATOM    872  C   LEU A  64      -0.254  -9.427   1.361  1.00105.63           C  
-ATOM    873  O   LEU A  64       0.407  -9.023   2.316  1.00 91.92           O  
-ATOM    874  CB  LEU A  64      -2.723  -8.956   1.401  1.00131.88           C  
-ATOM    875  CG  LEU A  64      -3.846  -7.906   1.277  1.00138.12           C  
-ATOM    876  CD1 LEU A  64      -5.222  -8.585   1.248  1.00150.36           C  
-ATOM    877  CD2 LEU A  64      -3.775  -6.857   2.402  1.00134.24           C  
-ATOM    878  H   LEU A  64      -2.301  -8.932  -1.063  1.00110.24           H  
-ATOM    879  HA  LEU A  64      -1.152  -7.505   1.103  1.00113.52           H  
-ATOM    880  HB3 LEU A  64      -2.615  -9.226   2.452  1.00131.88           H  
-ATOM    881  HB2 LEU A  64      -3.029  -9.877   0.904  1.00131.88           H  
-ATOM    882  HG  LEU A  64      -3.729  -7.383   0.327  1.00138.12           H  
-ATOM    883 HD11 LEU A  64      -6.009  -7.940   1.640  1.00150.36           H  
-ATOM    884 HD12 LEU A  64      -5.496  -8.845   0.231  1.00150.36           H  
-ATOM    885 HD13 LEU A  64      -5.231  -9.506   1.830  1.00150.36           H  
-ATOM    886 HD21 LEU A  64      -3.906  -5.853   2.002  1.00134.24           H  
-ATOM    887 HD22 LEU A  64      -4.550  -7.005   3.153  1.00134.24           H  
-ATOM    888 HD23 LEU A  64      -2.819  -6.883   2.924  1.00134.24           H  
-ATOM    889  N   ARG A  65      -0.044 -10.602   0.740  1.00107.77           N  
-ATOM    890  CA  ARG A  65       1.058 -11.508   1.057  1.00110.09           C  
-ATOM    891  C   ARG A  65       2.425 -10.855   0.783  1.00105.04           C  
-ATOM    892  O   ARG A  65       3.299 -10.952   1.640  1.00 93.21           O  
-ATOM    893  CB  ARG A  65       0.869 -12.849   0.315  1.00115.89           C  
-ATOM    894  CG  ARG A  65       2.028 -13.845   0.504  1.00120.96           C  
-ATOM    895  CD  ARG A  65       1.867 -15.125  -0.326  1.00133.35           C  
-ATOM    896  NE  ARG A  65       3.176 -15.752  -0.584  1.00139.37           N  
-ATOM    897  CZ  ARG A  65       3.984 -15.493  -1.633  1.00137.62           C  
-ATOM    898  NH1 ARG A  65       3.630 -14.654  -2.620  1.00135.94           N  
-ATOM    899  NH2 ARG A  65       5.180 -16.089  -1.699  1.00128.76           N1+
-ATOM    900  H   ARG A  65      -0.638 -10.872  -0.032  1.00107.77           H  
-ATOM    901  HA  ARG A  65       1.011 -11.719   2.127  1.00110.09           H  
-ATOM    902  HB3 ARG A  65       0.766 -12.647  -0.751  1.00115.89           H  
-ATOM    903  HB2 ARG A  65      -0.069 -13.312   0.624  1.00115.89           H  
-ATOM    904  HG3 ARG A  65       2.039 -14.114   1.560  1.00120.96           H  
-ATOM    905  HG2 ARG A  65       2.996 -13.388   0.302  1.00120.96           H  
-ATOM    906  HD3 ARG A  65       1.259 -14.987  -1.220  1.00133.35           H  
-ATOM    907  HD2 ARG A  65       1.336 -15.857   0.283  1.00133.35           H  
-ATOM    908  HE  ARG A  65       3.503 -16.388   0.127  1.00139.37           H  
-ATOM    909 HH12 ARG A  65       4.240 -14.486  -3.405  1.00135.94           H  
-ATOM    910 HH11 ARG A  65       2.735 -14.186  -2.585  1.00135.94           H  
-ATOM    911 HH22 ARG A  65       5.791 -15.926  -2.485  1.00128.76           H  
-ATOM    912 HH21 ARG A  65       5.477 -16.721  -0.969  1.00128.76           H  
-ATOM    913  N   GLU A  66       2.564 -10.164  -0.364  1.00 90.57           N  
-ATOM    914  CA  GLU A  66       3.742  -9.369  -0.721  1.00 97.63           C  
-ATOM    915  C   GLU A  66       4.108  -8.328   0.359  1.00 93.39           C  
-ATOM    916  O   GLU A  66       5.248  -8.325   0.811  1.00 97.61           O  
-ATOM    917  CB  GLU A  66       3.592  -8.818  -2.163  1.00102.04           C  
-ATOM    918  CG  GLU A  66       4.675  -7.817  -2.630  1.00115.36           C  
-ATOM    919  CD  GLU A  66       4.627  -7.397  -4.109  1.00122.91           C  
-ATOM    920  OE1 GLU A  66       5.463  -6.540  -4.476  1.00106.02           O  
-ATOM    921  OE2 GLU A  66       3.790  -7.936  -4.866  1.00129.00           O1-
-ATOM    922  H   GLU A  66       1.793 -10.126  -1.015  1.00 90.57           H  
-ATOM    923  HA  GLU A  66       4.579 -10.070  -0.750  1.00 97.63           H  
-ATOM    924  HB3 GLU A  66       2.614  -8.369  -2.303  1.00102.04           H  
-ATOM    925  HB2 GLU A  66       3.608  -9.679  -2.832  1.00102.04           H  
-ATOM    926  HG3 GLU A  66       5.641  -8.282  -2.486  1.00115.36           H  
-ATOM    927  HG2 GLU A  66       4.660  -6.919  -2.013  1.00115.36           H  
-ATOM    928  N   ALA A  67       3.115  -7.564   0.848  1.00 76.33           N  
-ATOM    929  CA  ALA A  67       3.274  -6.632   1.968  1.00 78.26           C  
-ATOM    930  C   ALA A  67       3.718  -7.299   3.280  1.00 78.43           C  
-ATOM    931  O   ALA A  67       4.581  -6.746   3.959  1.00 83.63           O  
-ATOM    932  CB  ALA A  67       1.964  -5.868   2.190  1.00 80.77           C  
-ATOM    933  H   ALA A  67       2.188  -7.641   0.452  1.00 76.33           H  
-ATOM    934  HA  ALA A  67       4.041  -5.910   1.680  1.00 78.26           H  
-ATOM    935  HB1 ALA A  67       2.084  -5.072   2.923  1.00 80.77           H  
-ATOM    936  HB2 ALA A  67       1.623  -5.415   1.264  1.00 80.77           H  
-ATOM    937  HB3 ALA A  67       1.165  -6.520   2.542  1.00 80.77           H  
-ATOM    938  N   GLU A  68       3.140  -8.472   3.597  1.00 79.54           N  
-ATOM    939  CA  GLU A  68       3.437  -9.246   4.803  1.00 84.32           C  
-ATOM    940  C   GLU A  68       4.885  -9.761   4.815  1.00 77.70           C  
-ATOM    941  O   GLU A  68       5.524  -9.707   5.863  1.00 77.93           O  
-ATOM    942  CB  GLU A  68       2.426 -10.402   4.948  1.00 90.25           C  
-ATOM    943  CG  GLU A  68       2.515 -11.155   6.299  1.00 93.98           C  
-ATOM    944  CD  GLU A  68       1.900 -12.560   6.283  1.00110.23           C  
-ATOM    945  OE1 GLU A  68       2.249 -13.341   5.369  1.00105.03           O  
-ATOM    946  OE2 GLU A  68       1.116 -12.852   7.212  1.00122.52           O1-
-ATOM    947  H   GLU A  68       2.435  -8.859   2.984  1.00 79.54           H  
-ATOM    948  HA  GLU A  68       3.310  -8.577   5.656  1.00 84.32           H  
-ATOM    949  HB3 GLU A  68       2.561 -11.088   4.114  1.00 90.25           H  
-ATOM    950  HB2 GLU A  68       1.413 -10.012   4.838  1.00 90.25           H  
-ATOM    951  HG3 GLU A  68       2.053 -10.546   7.078  1.00 93.98           H  
-ATOM    952  HG2 GLU A  68       3.550 -11.290   6.609  1.00 93.98           H  
-ATOM    953  N   ILE A  69       5.382 -10.207   3.647  1.00 83.09           N  
-ATOM    954  CA  ILE A  69       6.770 -10.610   3.444  1.00 82.84           C  
-ATOM    955  C   ILE A  69       7.724  -9.426   3.660  1.00 79.27           C  
-ATOM    956  O   ILE A  69       8.629  -9.573   4.475  1.00 70.78           O  
-ATOM    957  CB  ILE A  69       7.019 -11.255   2.050  1.00 81.19           C  
-ATOM    958  CG1 ILE A  69       6.252 -12.592   1.930  1.00 92.56           C  
-ATOM    959  CG2 ILE A  69       8.507 -11.507   1.718  1.00 88.25           C  
-ATOM    960  CD1 ILE A  69       6.078 -13.078   0.487  1.00101.51           C  
-ATOM    961  H   ILE A  69       4.782 -10.236   2.834  1.00 83.09           H  
-ATOM    962  HA  ILE A  69       7.000 -11.361   4.202  1.00 82.84           H  
-ATOM    963  HB  ILE A  69       6.623 -10.572   1.298  1.00 81.19           H  
-ATOM    964 HG13 ILE A  69       5.261 -12.508   2.372  1.00 92.56           H  
-ATOM    965 HG12 ILE A  69       6.758 -13.361   2.513  1.00 92.56           H  
-ATOM    966 HG21 ILE A  69       8.632 -11.886   0.705  1.00 88.25           H  
-ATOM    967 HG22 ILE A  69       9.140 -10.627   1.796  1.00 88.25           H  
-ATOM    968 HG23 ILE A  69       8.915 -12.250   2.400  1.00 88.25           H  
-ATOM    969 HD11 ILE A  69       5.360 -13.895   0.447  1.00101.51           H  
-ATOM    970 HD12 ILE A  69       5.709 -12.282  -0.159  1.00101.51           H  
-ATOM    971 HD13 ILE A  69       7.014 -13.448   0.071  1.00101.51           H  
-ATOM    972  N   LEU A  70       7.477  -8.273   3.002  1.00 71.08           N  
-ATOM    973  CA  LEU A  70       8.277  -7.049   3.171  1.00 68.58           C  
-ATOM    974  C   LEU A  70       8.364  -6.607   4.645  1.00 69.57           C  
-ATOM    975  O   LEU A  70       9.444  -6.247   5.108  1.00 79.29           O  
-ATOM    976  CB  LEU A  70       7.717  -5.888   2.302  1.00 72.63           C  
-ATOM    977  CG  LEU A  70       8.737  -5.171   1.381  1.00 77.75           C  
-ATOM    978  CD1 LEU A  70       8.210  -3.796   0.929  1.00 76.40           C  
-ATOM    979  CD2 LEU A  70      10.161  -5.042   1.936  1.00 76.88           C  
-ATOM    980  H   LEU A  70       6.696  -8.220   2.364  1.00 71.08           H  
-ATOM    981  HA  LEU A  70       9.280  -7.318   2.842  1.00 68.58           H  
-ATOM    982  HB3 LEU A  70       7.256  -5.141   2.951  1.00 72.63           H  
-ATOM    983  HB2 LEU A  70       6.891  -6.241   1.685  1.00 72.63           H  
-ATOM    984  HG  LEU A  70       8.834  -5.786   0.492  1.00 77.75           H  
-ATOM    985 HD11 LEU A  70       8.450  -3.613  -0.115  1.00 76.40           H  
-ATOM    986 HD12 LEU A  70       7.128  -3.714   1.033  1.00 76.40           H  
-ATOM    987 HD13 LEU A  70       8.654  -2.983   1.503  1.00 76.40           H  
-ATOM    988 HD21 LEU A  70      10.685  -4.197   1.491  1.00 76.88           H  
-ATOM    989 HD22 LEU A  70      10.169  -4.912   3.011  1.00 76.88           H  
-ATOM    990 HD23 LEU A  70      10.751  -5.923   1.699  1.00 76.88           H  
-ATOM    991  N   HIS A  71       7.225  -6.688   5.350  1.00 69.30           N  
-ATOM    992  CA  HIS A  71       7.061  -6.325   6.754  1.00 74.64           C  
-ATOM    993  C   HIS A  71       7.714  -7.320   7.732  1.00 69.82           C  
-ATOM    994  O   HIS A  71       8.141  -6.905   8.807  1.00 70.46           O  
-ATOM    995  CB  HIS A  71       5.553  -6.147   7.017  1.00 83.80           C  
-ATOM    996  CG  HIS A  71       5.172  -5.841   8.439  1.00 82.66           C  
-ATOM    997  ND1 HIS A  71       5.622  -4.705   9.114  1.00 90.04           N  
-ATOM    998  CE1 HIS A  71       5.113  -4.807  10.333  1.00 90.43           C  
-ATOM    999  NE2 HIS A  71       4.361  -5.894  10.489  1.00 94.62           N  
-ATOM   1000  CD2 HIS A  71       4.378  -6.577   9.288  1.00 93.98           C  
-ATOM   1001  H   HIS A  71       6.383  -6.993   4.880  1.00 69.30           H  
-ATOM   1002  HA  HIS A  71       7.549  -5.363   6.918  1.00 74.64           H  
-ATOM   1003  HB3 HIS A  71       5.021  -7.051   6.720  1.00 83.80           H  
-ATOM   1004  HB2 HIS A  71       5.151  -5.350   6.395  1.00 83.80           H  
-ATOM   1005  HE1 HIS A  71       5.273  -4.076  11.111  1.00 90.43           H  
-ATOM   1006  HD2 HIS A  71       3.847  -7.506   9.140  1.00 93.98           H  
-ATOM   1007  HE2 HIS A  71       3.847  -6.156  11.320  1.00 94.62           H  
-ATOM   1008  N   LYS A  72       7.797  -8.602   7.348  1.00 72.13           N  
-ATOM   1009  CA  LYS A  72       8.488  -9.639   8.110  1.00 74.33           C  
-ATOM   1010  C   LYS A  72      10.007  -9.590   7.866  1.00 74.31           C  
-ATOM   1011  O   LYS A  72      10.763  -9.926   8.770  1.00 60.34           O  
-ATOM   1012  CB  LYS A  72       7.903 -11.017   7.741  1.00 82.94           C  
-ATOM   1013  CG  LYS A  72       8.380 -12.167   8.645  1.00 86.43           C  
-ATOM   1014  CD  LYS A  72       8.032 -13.547   8.081  1.00 95.50           C  
-ATOM   1015  CE  LYS A  72       8.669 -14.678   8.900  1.00 98.44           C  
-ATOM   1016  NZ  LYS A  72       8.654 -15.949   8.162  1.00102.11           N1+
-ATOM   1017  H   LYS A  72       7.391  -8.887   6.468  1.00 72.13           H  
-ATOM   1018  HA  LYS A  72       8.312  -9.473   9.174  1.00 74.33           H  
-ATOM   1019  HB3 LYS A  72       8.140 -11.237   6.699  1.00 82.94           H  
-ATOM   1020  HB2 LYS A  72       6.815 -10.979   7.800  1.00 82.94           H  
-ATOM   1021  HG3 LYS A  72       7.937 -12.054   9.635  1.00 86.43           H  
-ATOM   1022  HG2 LYS A  72       9.455 -12.120   8.796  1.00 86.43           H  
-ATOM   1023  HD3 LYS A  72       8.365 -13.596   7.043  1.00 95.50           H  
-ATOM   1024  HD2 LYS A  72       6.948 -13.669   8.062  1.00 95.50           H  
-ATOM   1025  HE3 LYS A  72       8.161 -14.797   9.857  1.00 98.44           H  
-ATOM   1026  HE2 LYS A  72       9.713 -14.446   9.116  1.00 98.44           H  
-ATOM   1027  HZ1 LYS A  72       9.103 -16.666   8.717  1.00102.11           H  
-ATOM   1028  HZ2 LYS A  72       7.700 -16.220   7.975  1.00102.11           H  
-ATOM   1029  HZ3 LYS A  72       9.152 -15.843   7.291  1.00102.11           H  
-ATOM   1030  N   ALA A  73      10.421  -9.168   6.662  1.00 66.94           N  
-ATOM   1031  CA  ALA A  73      11.808  -9.060   6.218  1.00 67.76           C  
-ATOM   1032  C   ALA A  73      12.498  -7.750   6.632  1.00 66.20           C  
-ATOM   1033  O   ALA A  73      13.614  -7.518   6.173  1.00 62.97           O  
-ATOM   1034  CB  ALA A  73      11.839  -9.251   4.695  1.00 64.08           C  
-ATOM   1035  H   ALA A  73       9.724  -8.931   5.968  1.00 66.94           H  
-ATOM   1036  HA  ALA A  73      12.385  -9.863   6.672  1.00 67.76           H  
-ATOM   1037  HB1 ALA A  73      12.849  -9.170   4.295  1.00 64.08           H  
-ATOM   1038  HB2 ALA A  73      11.459 -10.234   4.415  1.00 64.08           H  
-ATOM   1039  HB3 ALA A  73      11.221  -8.503   4.198  1.00 64.08           H  
-ATOM   1040  N   ARG A  74      11.853  -6.932   7.486  1.00 62.95           N  
-ATOM   1041  CA  ARG A  74      12.367  -5.661   8.006  1.00 65.23           C  
-ATOM   1042  C   ARG A  74      13.784  -5.761   8.566  1.00 61.21           C  
-ATOM   1043  O   ARG A  74      14.035  -6.565   9.460  1.00 59.52           O  
-ATOM   1044  CB  ARG A  74      11.490  -5.152   9.152  1.00 68.02           C  
-ATOM   1045  CG  ARG A  74      10.229  -4.445   8.696  1.00 74.77           C  
-ATOM   1046  CD  ARG A  74       9.440  -4.018   9.935  1.00 84.53           C  
-ATOM   1047  NE  ARG A  74       8.273  -3.219   9.588  1.00 87.29           N  
-ATOM   1048  CZ  ARG A  74       8.241  -1.935   9.211  1.00 88.89           C  
-ATOM   1049  NH1 ARG A  74       9.348  -1.193   9.051  1.00 93.80           N  
-ATOM   1050  NH2 ARG A  74       7.041  -1.395   8.996  1.00 94.11           N1+
-ATOM   1051  H   ARG A  74      10.934  -7.199   7.811  1.00 62.95           H  
-ATOM   1052  HA  ARG A  74      12.354  -4.945   7.188  1.00 65.23           H  
-ATOM   1053  HB3 ARG A  74      12.045  -4.422   9.745  1.00 68.02           H  
-ATOM   1054  HB2 ARG A  74      11.252  -5.970   9.834  1.00 68.02           H  
-ATOM   1055  HG3 ARG A  74       9.657  -5.144   8.094  1.00 74.77           H  
-ATOM   1056  HG2 ARG A  74      10.449  -3.605   8.038  1.00 74.77           H  
-ATOM   1057  HD3 ARG A  74      10.062  -3.530  10.686  1.00 84.53           H  
-ATOM   1058  HD2 ARG A  74       9.032  -4.908  10.412  1.00 84.53           H  
-ATOM   1059  HE  ARG A  74       7.399  -3.732   9.577  1.00 87.29           H  
-ATOM   1060 HH12 ARG A  74       9.282  -0.236   8.736  1.00 93.80           H  
-ATOM   1061 HH11 ARG A  74      10.256  -1.598   9.224  1.00 93.80           H  
-ATOM   1062 HH22 ARG A  74       6.966  -0.458   8.622  1.00 94.11           H  
-ATOM   1063 HH21 ARG A  74       6.203  -1.941   9.130  1.00 94.11           H  
-ATOM   1064  N   PHE A  75      14.662  -4.902   8.049  1.00 55.04           N  
-ATOM   1065  CA  PHE A  75      16.062  -4.854   8.426  1.00 53.38           C  
-ATOM   1066  C   PHE A  75      16.674  -3.575   7.858  1.00 53.93           C  
-ATOM   1067  O   PHE A  75      16.101  -2.943   6.972  1.00 59.70           O  
-ATOM   1068  CB  PHE A  75      16.781  -6.117   7.903  1.00 51.17           C  
-ATOM   1069  CG  PHE A  75      18.162  -6.354   8.473  1.00 52.21           C  
-ATOM   1070  CD1 PHE A  75      18.333  -6.459   9.868  1.00 50.33           C  
-ATOM   1071  CE1 PHE A  75      19.589  -6.720  10.393  1.00 50.91           C  
-ATOM   1072  CZ  PHE A  75      20.676  -6.895   9.548  1.00 52.93           C  
-ATOM   1073  CD2 PHE A  75      19.272  -6.532   7.624  1.00 49.86           C  
-ATOM   1074  CE2 PHE A  75      20.518  -6.805   8.172  1.00 50.24           C  
-ATOM   1075  H   PHE A  75      14.369  -4.231   7.350  1.00 55.04           H  
-ATOM   1076  HA  PHE A  75      16.111  -4.805   9.514  1.00 53.38           H  
-ATOM   1077  HB3 PHE A  75      16.843  -6.071   6.820  1.00 51.17           H  
-ATOM   1078  HB2 PHE A  75      16.207  -7.016   8.117  1.00 51.17           H  
-ATOM   1079  HD1 PHE A  75      17.489  -6.353  10.534  1.00 50.33           H  
-ATOM   1080  HE1 PHE A  75      19.719  -6.803  11.461  1.00 50.91           H  
-ATOM   1081  HZ  PHE A  75      21.649  -7.113   9.961  1.00 52.93           H  
-ATOM   1082  HD2 PHE A  75      19.160  -6.473   6.552  1.00 49.86           H  
-ATOM   1083  HE2 PHE A  75      21.368  -6.962   7.526  1.00 50.24           H  
-ATOM   1084  N   SER A  76      17.859  -3.232   8.372  1.00 51.98           N  
-ATOM   1085  CA  SER A  76      18.583  -2.000   8.069  1.00 48.49           C  
-ATOM   1086  C   SER A  76      18.945  -1.832   6.583  1.00 49.62           C  
-ATOM   1087  O   SER A  76      19.136  -0.698   6.154  1.00 50.60           O  
-ATOM   1088  CB  SER A  76      19.853  -1.978   8.930  1.00 48.14           C  
-ATOM   1089  OG  SER A  76      19.508  -2.088  10.295  1.00 54.87           O  
-ATOM   1090  H   SER A  76      18.281  -3.836   9.060  1.00 51.98           H  
-ATOM   1091  HA  SER A  76      17.947  -1.159   8.352  1.00 48.49           H  
-ATOM   1092  HB3 SER A  76      20.409  -1.052   8.780  1.00 48.14           H  
-ATOM   1093  HB2 SER A  76      20.519  -2.801   8.666  1.00 48.14           H  
-ATOM   1094  HG  SER A  76      19.037  -2.914  10.433  1.00 54.87           H  
-ATOM   1095  N   TYR A  77      19.020  -2.949   5.838  1.00 47.73           N  
-ATOM   1096  CA  TYR A  77      19.456  -3.006   4.440  1.00 50.70           C  
-ATOM   1097  C   TYR A  77      18.371  -3.539   3.493  1.00 50.63           C  
-ATOM   1098  O   TYR A  77      18.675  -3.841   2.340  1.00 52.93           O  
-ATOM   1099  CB  TYR A  77      20.764  -3.816   4.362  1.00 49.90           C  
-ATOM   1100  CG  TYR A  77      21.837  -3.241   5.264  1.00 46.07           C  
-ATOM   1101  CD1 TYR A  77      22.390  -1.985   4.957  1.00 46.85           C  
-ATOM   1102  CE1 TYR A  77      23.304  -1.385   5.835  1.00 45.42           C  
-ATOM   1103  CZ  TYR A  77      23.697  -2.051   7.005  1.00 49.51           C  
-ATOM   1104  OH  TYR A  77      24.615  -1.458   7.814  1.00 54.22           O  
-ATOM   1105  CE2 TYR A  77      23.149  -3.310   7.320  1.00 50.53           C  
-ATOM   1106  CD2 TYR A  77      22.217  -3.903   6.448  1.00 51.02           C  
-ATOM   1107  H   TYR A  77      18.836  -3.839   6.277  1.00 47.73           H  
-ATOM   1108  HA  TYR A  77      19.666  -1.999   4.087  1.00 50.70           H  
-ATOM   1109  HB3 TYR A  77      21.148  -3.829   3.342  1.00 49.90           H  
-ATOM   1110  HB2 TYR A  77      20.581  -4.854   4.638  1.00 49.90           H  
-ATOM   1111  HD1 TYR A  77      22.097  -1.464   4.059  1.00 46.85           H  
-ATOM   1112  HE1 TYR A  77      23.714  -0.413   5.603  1.00 45.42           H  
-ATOM   1113  HH  TYR A  77      24.668  -1.852   8.694  1.00 54.22           H  
-ATOM   1114  HE2 TYR A  77      23.447  -3.824   8.221  1.00 50.53           H  
-ATOM   1115  HD2 TYR A  77      21.787  -4.860   6.694  1.00 51.02           H  
-ATOM   1116  N   ILE A  78      17.126  -3.603   3.981  1.00 50.33           N  
-ATOM   1117  CA  ILE A  78      15.928  -3.927   3.214  1.00 52.82           C  
-ATOM   1118  C   ILE A  78      15.042  -2.667   3.200  1.00 58.00           C  
-ATOM   1119  O   ILE A  78      14.973  -1.982   4.220  1.00 61.41           O  
-ATOM   1120  CB  ILE A  78      15.152  -5.093   3.895  1.00 52.20           C  
-ATOM   1121  CG1 ILE A  78      16.034  -6.356   4.066  1.00 52.09           C  
-ATOM   1122  CG2 ILE A  78      13.825  -5.437   3.193  1.00 56.64           C  
-ATOM   1123  CD1 ILE A  78      16.558  -6.990   2.774  1.00 58.46           C  
-ATOM   1124  H   ILE A  78      16.957  -3.308   4.932  1.00 50.33           H  
-ATOM   1125  HA  ILE A  78      16.176  -4.200   2.188  1.00 52.82           H  
-ATOM   1126  HB  ILE A  78      14.889  -4.778   4.906  1.00 52.20           H  
-ATOM   1127 HG13 ILE A  78      15.500  -7.115   4.630  1.00 52.09           H  
-ATOM   1128 HG12 ILE A  78      16.904  -6.112   4.670  1.00 52.09           H  
-ATOM   1129 HG21 ILE A  78      13.383  -6.346   3.601  1.00 56.64           H  
-ATOM   1130 HG22 ILE A  78      13.083  -4.648   3.308  1.00 56.64           H  
-ATOM   1131 HG23 ILE A  78      13.985  -5.585   2.130  1.00 56.64           H  
-ATOM   1132 HD11 ILE A  78      16.770  -8.047   2.923  1.00 58.46           H  
-ATOM   1133 HD12 ILE A  78      15.849  -6.914   1.951  1.00 58.46           H  
-ATOM   1134 HD13 ILE A  78      17.489  -6.517   2.461  1.00 58.46           H  
-ATOM   1135  N   LEU A  79      14.384  -2.385   2.061  1.00 54.57           N  
-ATOM   1136  CA  LEU A  79      13.443  -1.271   1.875  1.00 58.15           C  
-ATOM   1137  C   LEU A  79      12.313  -1.308   2.928  1.00 63.38           C  
-ATOM   1138  O   LEU A  79      11.526  -2.252   2.889  1.00 56.56           O  
-ATOM   1139  CB  LEU A  79      12.875  -1.352   0.440  1.00 58.23           C  
-ATOM   1140  CG  LEU A  79      11.853  -0.249   0.067  1.00 65.37           C  
-ATOM   1141  CD1 LEU A  79      12.408   1.179   0.243  1.00 64.12           C  
-ATOM   1142  CD2 LEU A  79      11.315  -0.471  -1.354  1.00 63.61           C  
-ATOM   1143  H   LEU A  79      14.494  -3.001   1.266  1.00 54.57           H  
-ATOM   1144  HA  LEU A  79      14.006  -0.348   1.937  1.00 58.15           H  
-ATOM   1145  HB3 LEU A  79      12.413  -2.330   0.292  1.00 58.23           H  
-ATOM   1146  HB2 LEU A  79      13.706  -1.310  -0.267  1.00 58.23           H  
-ATOM   1147  HG  LEU A  79      10.993  -0.353   0.728  1.00 65.37           H  
-ATOM   1148 HD11 LEU A  79      12.156   1.828  -0.594  1.00 64.12           H  
-ATOM   1149 HD12 LEU A  79      11.996   1.644   1.138  1.00 64.12           H  
-ATOM   1150 HD13 LEU A  79      13.494   1.187   0.331  1.00 64.12           H  
-ATOM   1151 HD21 LEU A  79      10.254  -0.246  -1.411  1.00 63.61           H  
-ATOM   1152 HD22 LEU A  79      11.819   0.157  -2.088  1.00 63.61           H  
-ATOM   1153 HD23 LEU A  79      11.436  -1.503  -1.682  1.00 63.61           H  
-ATOM   1154  N   PRO A  80      12.259  -0.333   3.867  1.00 63.15           N  
-ATOM   1155  CA  PRO A  80      11.210  -0.295   4.897  1.00 64.74           C  
-ATOM   1156  C   PRO A  80       9.832  -0.008   4.299  1.00 63.84           C  
-ATOM   1157  O   PRO A  80       9.660   0.998   3.612  1.00 65.24           O  
-ATOM   1158  CB  PRO A  80      11.663   0.797   5.880  1.00 64.07           C  
-ATOM   1159  CG  PRO A  80      13.142   0.961   5.601  1.00 62.35           C  
-ATOM   1160  CD  PRO A  80      13.224   0.736   4.103  1.00 64.86           C  
-ATOM   1161  HA  PRO A  80      11.208  -1.243   5.426  1.00 64.74           H  
-ATOM   1162  HB3 PRO A  80      11.470   0.528   6.918  1.00 64.07           H  
-ATOM   1163  HB2 PRO A  80      11.152   1.741   5.691  1.00 64.07           H  
-ATOM   1164  HG3 PRO A  80      13.690   0.166   6.108  1.00 62.35           H  
-ATOM   1165  HG2 PRO A  80      13.559   1.903   5.946  1.00 62.35           H  
-ATOM   1166  HD2 PRO A  80      12.938   1.625   3.541  1.00 64.86           H  
-ATOM   1167  HD3 PRO A  80      14.241   0.462   3.855  1.00 64.86           H  
-ATOM   1168  N   ILE A  81       8.888  -0.913   4.573  1.00 70.52           N  
-ATOM   1169  CA  ILE A  81       7.471  -0.731   4.281  1.00 68.09           C  
-ATOM   1170  C   ILE A  81       6.851   0.185   5.354  1.00 67.41           C  
-ATOM   1171  O   ILE A  81       7.213   0.078   6.521  1.00 64.91           O  
-ATOM   1172  CB  ILE A  81       6.754  -2.106   4.220  1.00 71.13           C  
-ATOM   1173  CG1 ILE A  81       5.273  -1.993   3.796  1.00 74.84           C  
-ATOM   1174  CG2 ILE A  81       6.911  -2.936   5.506  1.00 68.75           C  
-ATOM   1175  CD1 ILE A  81       4.625  -3.336   3.444  1.00 79.16           C  
-ATOM   1176  H   ILE A  81       9.124  -1.726   5.122  1.00 70.52           H  
-ATOM   1177  HA  ILE A  81       7.371  -0.254   3.307  1.00 68.09           H  
-ATOM   1178  HB  ILE A  81       7.257  -2.668   3.434  1.00 71.13           H  
-ATOM   1179 HG13 ILE A  81       5.198  -1.350   2.921  1.00 74.84           H  
-ATOM   1180 HG12 ILE A  81       4.684  -1.512   4.577  1.00 74.84           H  
-ATOM   1181 HG21 ILE A  81       6.576  -3.953   5.339  1.00 68.75           H  
-ATOM   1182 HG22 ILE A  81       7.948  -3.006   5.832  1.00 68.75           H  
-ATOM   1183 HG23 ILE A  81       6.332  -2.524   6.331  1.00 68.75           H  
-ATOM   1184 HD11 ILE A  81       3.582  -3.196   3.167  1.00 79.16           H  
-ATOM   1185 HD12 ILE A  81       5.130  -3.811   2.604  1.00 79.16           H  
-ATOM   1186 HD13 ILE A  81       4.642  -4.032   4.279  1.00 79.16           H  
-ATOM   1187  N   LEU A  82       5.984   1.112   4.940  1.00 72.60           N  
-ATOM   1188  CA  LEU A  82       5.407   2.137   5.809  1.00 79.39           C  
-ATOM   1189  C   LEU A  82       3.938   1.854   6.130  1.00 83.28           C  
-ATOM   1190  O   LEU A  82       3.498   2.169   7.235  1.00 79.63           O  
-ATOM   1191  CB  LEU A  82       5.562   3.511   5.134  1.00 72.18           C  
-ATOM   1192  CG  LEU A  82       6.996   4.071   5.164  1.00 76.02           C  
-ATOM   1193  CD1 LEU A  82       7.058   5.414   4.422  1.00 79.48           C  
-ATOM   1194  CD2 LEU A  82       7.546   4.214   6.594  1.00 81.01           C  
-ATOM   1195  H   LEU A  82       5.720   1.152   3.963  1.00 72.60           H  
-ATOM   1196  HA  LEU A  82       5.917   2.152   6.771  1.00 79.39           H  
-ATOM   1197  HB3 LEU A  82       4.925   4.228   5.643  1.00 72.18           H  
-ATOM   1198  HB2 LEU A  82       5.197   3.457   4.110  1.00 72.18           H  
-ATOM   1199  HG  LEU A  82       7.638   3.374   4.626  1.00 76.02           H  
-ATOM   1200 HD11 LEU A  82       8.065   5.614   4.064  1.00 79.48           H  
-ATOM   1201 HD12 LEU A  82       6.391   5.429   3.561  1.00 79.48           H  
-ATOM   1202 HD13 LEU A  82       6.773   6.244   5.069  1.00 79.48           H  
-ATOM   1203 HD21 LEU A  82       8.085   5.152   6.731  1.00 81.01           H  
-ATOM   1204 HD22 LEU A  82       6.758   4.191   7.348  1.00 81.01           H  
-ATOM   1205 HD23 LEU A  82       8.247   3.411   6.819  1.00 81.01           H  
-ATOM   1206  N   GLY A  83       3.222   1.246   5.179  1.00 76.18           N  
-ATOM   1207  CA  GLY A  83       1.842   0.846   5.373  1.00 84.26           C  
-ATOM   1208  C   GLY A  83       1.298   0.284   4.063  1.00 85.97           C  
-ATOM   1209  O   GLY A  83       1.958   0.331   3.026  1.00 96.39           O  
-ATOM   1210  H   GLY A  83       3.643   1.019   4.289  1.00 76.18           H  
-ATOM   1211  HA3 GLY A  83       1.235   1.694   5.682  1.00 84.26           H  
-ATOM   1212  HA2 GLY A  83       1.784   0.105   6.164  1.00 84.26           H  
-ATOM   1213  N   ILE A  84       0.069  -0.236   4.126  1.00 87.10           N  
-ATOM   1214  CA  ILE A  84      -0.690  -0.700   2.970  1.00 96.25           C  
-ATOM   1215  C   ILE A  84      -1.856   0.268   2.717  1.00 99.84           C  
-ATOM   1216  O   ILE A  84      -2.416   0.818   3.655  1.00 95.28           O  
-ATOM   1217  CB  ILE A  84      -1.218  -2.145   3.189  1.00108.80           C  
-ATOM   1218  CG1 ILE A  84      -1.851  -2.734   1.908  1.00120.61           C  
-ATOM   1219  CG2 ILE A  84      -2.159  -2.313   4.402  1.00 98.34           C  
-ATOM   1220  CD1 ILE A  84      -1.539  -4.215   1.689  1.00133.79           C  
-ATOM   1221  H   ILE A  84      -0.430  -0.222   5.005  1.00 87.10           H  
-ATOM   1222  HA  ILE A  84      -0.057  -0.704   2.081  1.00 96.25           H  
-ATOM   1223  HB  ILE A  84      -0.332  -2.745   3.405  1.00108.80           H  
-ATOM   1224 HG13 ILE A  84      -1.463  -2.218   1.034  1.00120.61           H  
-ATOM   1225 HG12 ILE A  84      -2.925  -2.561   1.896  1.00120.61           H  
-ATOM   1226 HG21 ILE A  84      -2.400  -3.363   4.564  1.00 98.34           H  
-ATOM   1227 HG22 ILE A  84      -1.701  -1.943   5.319  1.00 98.34           H  
-ATOM   1228 HG23 ILE A  84      -3.102  -1.784   4.266  1.00 98.34           H  
-ATOM   1229 HD11 ILE A  84      -2.174  -4.637   0.911  1.00133.79           H  
-ATOM   1230 HD12 ILE A  84      -0.505  -4.350   1.373  1.00133.79           H  
-ATOM   1231 HD13 ILE A  84      -1.686  -4.792   2.601  1.00133.79           H  
-ATOM   1232  N   CYS A  85      -2.186   0.473   1.443  1.00102.32           N  
-ATOM   1233  CA  CYS A  85      -3.224   1.375   0.976  1.00112.03           C  
-ATOM   1234  C   CYS A  85      -4.311   0.513   0.325  1.00120.86           C  
-ATOM   1235  O   CYS A  85      -4.281   0.338  -0.885  1.00126.00           O  
-ATOM   1236  CB  CYS A  85      -2.598   2.436   0.041  1.00105.36           C  
-ATOM   1237  SG  CYS A  85      -3.716   3.824  -0.270  1.00136.35           S  
-ATOM   1238  H   CYS A  85      -1.671  -0.006   0.713  1.00102.32           H  
-ATOM   1239  HA  CYS A  85      -3.685   1.880   1.820  1.00112.03           H  
-ATOM   1240  HB3 CYS A  85      -2.280   2.005  -0.908  1.00105.36           H  
-ATOM   1241  HB2 CYS A  85      -1.703   2.852   0.505  1.00105.36           H  
-ATOM   1242  HG  CYS A  85      -3.837   4.192   1.011  1.00136.35           H  
-ATOM   1243  N   ASN A  86      -5.200  -0.063   1.154  1.00130.06           N  
-ATOM   1244  CA  ASN A  86      -6.223  -1.044   0.770  1.00127.82           C  
-ATOM   1245  C   ASN A  86      -7.614  -0.418   0.953  1.00123.67           C  
-ATOM   1246  O   ASN A  86      -8.087  -0.284   2.082  1.00113.86           O  
-ATOM   1247  CB  ASN A  86      -5.992  -2.326   1.614  1.00115.59           C  
-ATOM   1248  CG  ASN A  86      -7.152  -3.332   1.619  1.00108.14           C  
-ATOM   1249  OD1 ASN A  86      -7.207  -4.233   0.789  1.00105.25           O  
-ATOM   1250  ND2 ASN A  86      -8.081  -3.185   2.566  1.00 97.78           N  
-ATOM   1251  H   ASN A  86      -5.148   0.143   2.140  1.00130.06           H  
-ATOM   1252  HA  ASN A  86      -6.065  -1.302  -0.277  1.00127.82           H  
-ATOM   1253  HB3 ASN A  86      -5.798  -2.050   2.652  1.00115.59           H  
-ATOM   1254  HB2 ASN A  86      -5.093  -2.835   1.268  1.00115.59           H  
-ATOM   1255 HD22 ASN A  86      -8.860  -3.824   2.621  1.00 97.78           H  
-ATOM   1256 HD21 ASN A  86      -8.029  -2.410   3.213  1.00 97.78           H  
-ATOM   1257  N   GLU A  87      -8.241  -0.074  -0.174  1.00120.42           N  
-ATOM   1258  CA  GLU A  87      -9.579   0.502  -0.271  1.00124.69           C  
-ATOM   1259  C   GLU A  87     -10.339  -0.167  -1.430  1.00141.56           C  
-ATOM   1260  O   GLU A  87      -9.699  -0.811  -2.267  1.00149.52           O  
-ATOM   1261  CB  GLU A  87      -9.440   2.023  -0.484  1.00116.15           C  
-ATOM   1262  CG  GLU A  87      -9.006   2.779   0.790  1.00110.70           C  
-ATOM   1263  CD  GLU A  87      -8.783   4.282   0.593  1.00112.03           C  
-ATOM   1264  OE1 GLU A  87      -8.425   4.687  -0.532  1.00113.86           O  
-ATOM   1265  OE2 GLU A  87      -8.947   5.017   1.590  1.00103.95           O1-
-ATOM   1266  H   GLU A  87      -7.766  -0.193  -1.060  1.00120.42           H  
-ATOM   1267  HA  GLU A  87     -10.130   0.305   0.649  1.00124.69           H  
-ATOM   1268  HB3 GLU A  87     -10.367   2.455  -0.853  1.00116.15           H  
-ATOM   1269  HB2 GLU A  87      -8.710   2.189  -1.279  1.00116.15           H  
-ATOM   1270  HG3 GLU A  87      -8.068   2.375   1.167  1.00110.70           H  
-ATOM   1271  HG2 GLU A  87      -9.748   2.619   1.573  1.00110.70           H  
-ATOM   1272  N   PRO A  88     -11.681   0.009  -1.498  1.00150.24           N  
-ATOM   1273  CA  PRO A  88     -12.475  -0.481  -2.638  1.00135.76           C  
-ATOM   1274  C   PRO A  88     -12.013  -0.008  -4.033  1.00120.54           C  
-ATOM   1275  O   PRO A  88     -12.097  -0.799  -4.969  1.00109.59           O  
-ATOM   1276  CB  PRO A  88     -13.928  -0.084  -2.312  1.00146.09           C  
-ATOM   1277  CG  PRO A  88     -13.860   0.882  -1.138  1.00149.15           C  
-ATOM   1278  CD  PRO A  88     -12.544   0.552  -0.447  1.00150.86           C  
-ATOM   1279  HA  PRO A  88     -12.409  -1.571  -2.637  1.00135.76           H  
-ATOM   1280  HB3 PRO A  88     -14.474  -0.978  -2.009  1.00146.09           H  
-ATOM   1281  HB2 PRO A  88     -14.468   0.344  -3.156  1.00146.09           H  
-ATOM   1282  HG3 PRO A  88     -14.721   0.806  -0.474  1.00149.15           H  
-ATOM   1283  HG2 PRO A  88     -13.841   1.900  -1.515  1.00149.15           H  
-ATOM   1284  HD2 PRO A  88     -12.146   1.435   0.052  1.00150.86           H  
-ATOM   1285  HD3 PRO A  88     -12.693  -0.221   0.307  1.00150.86           H  
-ATOM   1286  N   GLU A  89     -11.495   1.228  -4.137  1.00107.93           N  
-ATOM   1287  CA  GLU A  89     -11.033   1.833  -5.387  1.00117.26           C  
-ATOM   1288  C   GLU A  89      -9.519   1.684  -5.646  1.00133.14           C  
-ATOM   1289  O   GLU A  89      -9.145   1.704  -6.817  1.00125.56           O  
-ATOM   1290  CB  GLU A  89     -11.472   3.316  -5.446  1.00120.80           C  
-ATOM   1291  CG  GLU A  89     -10.865   4.278  -4.392  1.00122.66           C  
-ATOM   1292  CD  GLU A  89     -11.773   4.544  -3.183  1.00123.10           C  
-ATOM   1293  OE1 GLU A  89     -12.058   5.733  -2.927  1.00120.27           O  
-ATOM   1294  OE2 GLU A  89     -12.166   3.564  -2.520  1.00114.59           O1-
-ATOM   1295  H   GLU A  89     -11.499   1.841  -3.331  1.00107.93           H  
-ATOM   1296  HA  GLU A  89     -11.536   1.333  -6.216  1.00117.26           H  
-ATOM   1297  HB3 GLU A  89     -12.562   3.363  -5.413  1.00120.80           H  
-ATOM   1298  HB2 GLU A  89     -11.216   3.702  -6.433  1.00120.80           H  
-ATOM   1299  HG3 GLU A  89     -10.649   5.228  -4.884  1.00122.66           H  
-ATOM   1300  HG2 GLU A  89      -9.903   3.925  -4.025  1.00122.66           H  
-ATOM   1301  N   PHE A  90      -8.679   1.556  -4.599  1.00141.89           N  
-ATOM   1302  CA  PHE A  90      -7.214   1.587  -4.735  1.00132.94           C  
-ATOM   1303  C   PHE A  90      -6.544   0.545  -3.829  1.00124.21           C  
-ATOM   1304  O   PHE A  90      -6.872   0.470  -2.647  1.00100.40           O  
-ATOM   1305  CB  PHE A  90      -6.702   3.010  -4.417  1.00132.21           C  
-ATOM   1306  CG  PHE A  90      -5.245   3.266  -4.772  1.00131.25           C  
-ATOM   1307  CD2 PHE A  90      -4.208   2.968  -3.862  1.00132.44           C  
-ATOM   1308  CE2 PHE A  90      -2.884   3.177  -4.223  1.00119.64           C  
-ATOM   1309  CZ  PHE A  90      -2.572   3.647  -5.490  1.00115.24           C  
-ATOM   1310  CD1 PHE A  90      -4.906   3.681  -6.076  1.00126.05           C  
-ATOM   1311  CE1 PHE A  90      -3.575   3.881  -6.420  1.00126.76           C  
-ATOM   1312  H   PHE A  90      -9.044   1.512  -3.658  1.00141.89           H  
-ATOM   1313  HA  PHE A  90      -6.938   1.352  -5.764  1.00132.94           H  
-ATOM   1314  HB3 PHE A  90      -6.854   3.238  -3.361  1.00132.21           H  
-ATOM   1315  HB2 PHE A  90      -7.302   3.740  -4.961  1.00132.21           H  
-ATOM   1316  HD2 PHE A  90      -4.443   2.592  -2.877  1.00132.44           H  
-ATOM   1317  HE2 PHE A  90      -2.096   2.973  -3.514  1.00119.64           H  
-ATOM   1318  HZ  PHE A  90      -1.541   3.815  -5.757  1.00115.24           H  
-ATOM   1319  HD1 PHE A  90      -5.680   3.865  -6.805  1.00126.05           H  
-ATOM   1320  HE1 PHE A  90      -3.320   4.223  -7.411  1.00126.76           H  
-ATOM   1321  N   LEU A  91      -5.573  -0.190  -4.400  1.00114.58           N  
-ATOM   1322  CA  LEU A  91      -4.734  -1.163  -3.704  1.00111.39           C  
-ATOM   1323  C   LEU A  91      -3.255  -0.856  -3.990  1.00105.60           C  
-ATOM   1324  O   LEU A  91      -2.853  -0.908  -5.153  1.00 97.75           O  
-ATOM   1325  CB  LEU A  91      -5.132  -2.591  -4.131  1.00106.07           C  
-ATOM   1326  CG  LEU A  91      -4.399  -3.714  -3.366  1.00110.00           C  
-ATOM   1327  CD1 LEU A  91      -4.686  -3.668  -1.851  1.00110.78           C  
-ATOM   1328  CD2 LEU A  91      -4.745  -5.086  -3.965  1.00115.90           C  
-ATOM   1329  H   LEU A  91      -5.346  -0.041  -5.372  1.00114.58           H  
-ATOM   1330  HA  LEU A  91      -4.911  -1.097  -2.639  1.00111.39           H  
-ATOM   1331  HB3 LEU A  91      -4.954  -2.710  -5.201  1.00106.07           H  
-ATOM   1332  HB2 LEU A  91      -6.208  -2.716  -3.996  1.00106.07           H  
-ATOM   1333  HG  LEU A  91      -3.325  -3.585  -3.496  1.00110.00           H  
-ATOM   1334 HD11 LEU A  91      -4.866  -4.656  -1.427  1.00110.78           H  
-ATOM   1335 HD12 LEU A  91      -3.844  -3.236  -1.309  1.00110.78           H  
-ATOM   1336 HD13 LEU A  91      -5.567  -3.071  -1.624  1.00110.78           H  
-ATOM   1337 HD21 LEU A  91      -4.599  -5.896  -3.253  1.00115.90           H  
-ATOM   1338 HD22 LEU A  91      -5.778  -5.128  -4.314  1.00115.90           H  
-ATOM   1339 HD23 LEU A  91      -4.107  -5.301  -4.821  1.00115.90           H  
-ATOM   1340  N   GLY A  92      -2.474  -0.560  -2.938  1.00105.15           N  
-ATOM   1341  CA  GLY A  92      -1.053  -0.260  -3.079  1.00100.80           C  
-ATOM   1342  C   GLY A  92      -0.289  -0.554  -1.790  1.00 94.38           C  
-ATOM   1343  O   GLY A  92      -0.839  -0.482  -0.698  1.00 77.16           O  
-ATOM   1344  H   GLY A  92      -2.873  -0.510  -2.009  1.00105.15           H  
-ATOM   1345  HA3 GLY A  92      -0.915   0.784  -3.361  1.00100.80           H  
-ATOM   1346  HA2 GLY A  92      -0.640  -0.878  -3.872  1.00100.80           H  
-ATOM   1347  N   ILE A  93       1.008  -0.850  -1.931  1.00 99.64           N  
-ATOM   1348  CA  ILE A  93       1.950  -1.003  -0.823  1.00 85.96           C  
-ATOM   1349  C   ILE A  93       2.806   0.272  -0.785  1.00 80.83           C  
-ATOM   1350  O   ILE A  93       3.289   0.691  -1.836  1.00 77.74           O  
-ATOM   1351  CB  ILE A  93       2.869  -2.239  -1.034  1.00 89.45           C  
-ATOM   1352  CG1 ILE A  93       2.032  -3.533  -1.151  1.00 96.30           C  
-ATOM   1353  CG2 ILE A  93       3.933  -2.377   0.078  1.00 98.15           C  
-ATOM   1354  CD1 ILE A  93       2.825  -4.748  -1.650  1.00 93.37           C  
-ATOM   1355  H   ILE A  93       1.407  -0.900  -2.857  1.00 99.64           H  
-ATOM   1356  HA  ILE A  93       1.427  -1.116   0.128  1.00 85.96           H  
-ATOM   1357  HB  ILE A  93       3.380  -2.121  -1.988  1.00 89.45           H  
-ATOM   1358 HG13 ILE A  93       1.201  -3.396  -1.842  1.00 96.30           H  
-ATOM   1359 HG12 ILE A  93       1.572  -3.753  -0.190  1.00 96.30           H  
-ATOM   1360 HG21 ILE A  93       4.526  -3.284  -0.029  1.00 98.15           H  
-ATOM   1361 HG22 ILE A  93       4.638  -1.547   0.095  1.00 98.15           H  
-ATOM   1362 HG23 ILE A  93       3.450  -2.413   1.052  1.00 98.15           H  
-ATOM   1363 HD11 ILE A  93       2.158  -5.547  -1.970  1.00 93.37           H  
-ATOM   1364 HD12 ILE A  93       3.462  -4.493  -2.497  1.00 93.37           H  
-ATOM   1365 HD13 ILE A  93       3.458  -5.155  -0.864  1.00 93.37           H  
-ATOM   1366  N   VAL A  94       2.954   0.871   0.406  1.00 73.35           N  
-ATOM   1367  CA  VAL A  94       3.677   2.126   0.600  1.00 70.23           C  
-ATOM   1368  C   VAL A  94       4.979   1.852   1.363  1.00 64.96           C  
-ATOM   1369  O   VAL A  94       4.948   1.163   2.377  1.00 64.40           O  
-ATOM   1370  CB  VAL A  94       2.853   3.176   1.394  1.00 73.20           C  
-ATOM   1371  CG1 VAL A  94       3.582   4.527   1.553  1.00 77.46           C  
-ATOM   1372  CG2 VAL A  94       1.486   3.421   0.732  1.00 83.16           C  
-ATOM   1373  H   VAL A  94       2.537   0.471   1.237  1.00 73.35           H  
-ATOM   1374  HA  VAL A  94       3.900   2.557  -0.367  1.00 70.23           H  
-ATOM   1375  HB  VAL A  94       2.666   2.795   2.398  1.00 73.20           H  
-ATOM   1376 HG11 VAL A  94       2.956   5.252   2.073  1.00 77.46           H  
-ATOM   1377 HG12 VAL A  94       4.505   4.446   2.124  1.00 77.46           H  
-ATOM   1378 HG13 VAL A  94       3.830   4.947   0.580  1.00 77.46           H  
-ATOM   1379 HG21 VAL A  94       0.923   4.198   1.250  1.00 83.16           H  
-ATOM   1380 HG22 VAL A  94       1.602   3.736  -0.304  1.00 83.16           H  
-ATOM   1381 HG23 VAL A  94       0.868   2.522   0.741  1.00 83.16           H  
-ATOM   1382  N   THR A  95       6.086   2.410   0.862  1.00 58.84           N  
-ATOM   1383  CA  THR A  95       7.428   2.282   1.424  1.00 67.99           C  
-ATOM   1384  C   THR A  95       8.065   3.673   1.543  1.00 62.05           C  
-ATOM   1385  O   THR A  95       7.526   4.641   1.008  1.00 66.77           O  
-ATOM   1386  CB  THR A  95       8.323   1.386   0.518  1.00 65.85           C  
-ATOM   1387  OG1 THR A  95       8.808   2.038  -0.640  1.00 61.98           O  
-ATOM   1388  CG2 THR A  95       7.647   0.065   0.122  1.00 69.29           C  
-ATOM   1389  H   THR A  95       6.018   2.973   0.024  1.00 58.84           H  
-ATOM   1390  HA  THR A  95       7.383   1.864   2.429  1.00 67.99           H  
-ATOM   1391  HB  THR A  95       9.212   1.122   1.087  1.00 65.85           H  
-ATOM   1392  HG1 THR A  95       9.387   2.760  -0.372  1.00 61.98           H  
-ATOM   1393 HG21 THR A  95       8.311  -0.580  -0.449  1.00 69.29           H  
-ATOM   1394 HG22 THR A  95       7.339  -0.495   1.002  1.00 69.29           H  
-ATOM   1395 HG23 THR A  95       6.756   0.236  -0.476  1.00 69.29           H  
-ATOM   1396  N   GLU A  96       9.244   3.740   2.183  1.00 63.25           N  
-ATOM   1397  CA  GLU A  96      10.140   4.895   2.078  1.00 61.68           C  
-ATOM   1398  C   GLU A  96      10.515   5.174   0.615  1.00 58.62           C  
-ATOM   1399  O   GLU A  96      10.545   4.252  -0.202  1.00 57.57           O  
-ATOM   1400  CB  GLU A  96      11.414   4.658   2.905  1.00 53.73           C  
-ATOM   1401  CG  GLU A  96      11.173   4.607   4.425  1.00 60.22           C  
-ATOM   1402  CD  GLU A  96      12.445   4.437   5.272  1.00 66.45           C  
-ATOM   1403  OE1 GLU A  96      13.545   4.251   4.703  1.00 70.55           O  
-ATOM   1404  OE2 GLU A  96      12.292   4.480   6.511  1.00 77.03           O1-
-ATOM   1405  H   GLU A  96       9.626   2.916   2.628  1.00 63.25           H  
-ATOM   1406  HA  GLU A  96       9.624   5.775   2.464  1.00 61.68           H  
-ATOM   1407  HB3 GLU A  96      12.136   5.447   2.687  1.00 53.73           H  
-ATOM   1408  HB2 GLU A  96      11.875   3.723   2.583  1.00 53.73           H  
-ATOM   1409  HG3 GLU A  96      10.488   3.792   4.663  1.00 60.22           H  
-ATOM   1410  HG2 GLU A  96      10.675   5.525   4.738  1.00 60.22           H  
-ATOM   1411  N   TYR A  97      10.793   6.447   0.324  1.00 52.81           N  
-ATOM   1412  CA  TYR A  97      11.310   6.880  -0.964  1.00 62.62           C  
-ATOM   1413  C   TYR A  97      12.842   6.939  -0.891  1.00 60.92           C  
-ATOM   1414  O   TYR A  97      13.373   7.421   0.106  1.00 54.51           O  
-ATOM   1415  CB  TYR A  97      10.681   8.237  -1.311  1.00 64.52           C  
-ATOM   1416  CG  TYR A  97      11.213   8.862  -2.581  1.00 62.68           C  
-ATOM   1417  CD1 TYR A  97      10.922   8.281  -3.831  1.00 61.56           C  
-ATOM   1418  CE1 TYR A  97      11.471   8.832  -5.002  1.00 61.23           C  
-ATOM   1419  CZ  TYR A  97      12.287   9.975  -4.927  1.00 62.56           C  
-ATOM   1420  OH  TYR A  97      12.810  10.513  -6.064  1.00 71.33           O  
-ATOM   1421  CE2 TYR A  97      12.567  10.562  -3.681  1.00 64.40           C  
-ATOM   1422  CD2 TYR A  97      12.036  10.002  -2.508  1.00 64.93           C  
-ATOM   1423  H   TYR A  97      10.742   7.153   1.045  1.00 52.81           H  
-ATOM   1424  HA  TYR A  97      11.016   6.172  -1.740  1.00 62.62           H  
-ATOM   1425  HB3 TYR A  97      10.830   8.936  -0.487  1.00 64.52           H  
-ATOM   1426  HB2 TYR A  97       9.605   8.129  -1.418  1.00 64.52           H  
-ATOM   1427  HD1 TYR A  97      10.300   7.400  -3.894  1.00 61.56           H  
-ATOM   1428  HE1 TYR A  97      11.275   8.375  -5.958  1.00 61.23           H  
-ATOM   1429  HH  TYR A  97      12.628   9.988  -6.847  1.00 71.33           H  
-ATOM   1430  HE2 TYR A  97      13.199  11.437  -3.619  1.00 64.40           H  
-ATOM   1431  HD2 TYR A  97      12.272  10.447  -1.552  1.00 64.93           H  
-ATOM   1432  N   MET A  98      13.506   6.448  -1.946  1.00 62.74           N  
-ATOM   1433  CA  MET A  98      14.958   6.347  -2.070  1.00 65.57           C  
-ATOM   1434  C   MET A  98      15.429   7.397  -3.091  1.00 64.78           C  
-ATOM   1435  O   MET A  98      15.280   7.158  -4.289  1.00 77.81           O  
-ATOM   1436  CB  MET A  98      15.306   4.906  -2.501  1.00 61.21           C  
-ATOM   1437  CG  MET A  98      14.916   3.861  -1.443  1.00 57.04           C  
-ATOM   1438  SD  MET A  98      15.880   4.002   0.080  1.00 63.64           S  
-ATOM   1439  CE  MET A  98      14.573   4.180   1.314  1.00 61.72           C  
-ATOM   1440  H   MET A  98      12.978   6.068  -2.720  1.00 62.74           H  
-ATOM   1441  HA  MET A  98      15.446   6.502  -1.112  1.00 65.57           H  
-ATOM   1442  HB3 MET A  98      16.375   4.828  -2.693  1.00 61.21           H  
-ATOM   1443  HB2 MET A  98      14.822   4.657  -3.445  1.00 61.21           H  
-ATOM   1444  HG3 MET A  98      15.067   2.858  -1.832  1.00 57.04           H  
-ATOM   1445  HG2 MET A  98      13.853   3.922  -1.209  1.00 57.04           H  
-ATOM   1446  HE1 MET A  98      15.016   4.346   2.294  1.00 61.72           H  
-ATOM   1447  HE2 MET A  98      13.932   5.026   1.080  1.00 61.72           H  
-ATOM   1448  HE3 MET A  98      13.962   3.281   1.362  1.00 61.72           H  
-ATOM   1449  N   PRO A  99      15.940   8.563  -2.624  1.00 74.01           N  
-ATOM   1450  CA  PRO A  99      16.252   9.704  -3.508  1.00 74.41           C  
-ATOM   1451  C   PRO A  99      17.347   9.501  -4.566  1.00 71.74           C  
-ATOM   1452  O   PRO A  99      17.391  10.295  -5.501  1.00 68.68           O  
-ATOM   1453  CB  PRO A  99      16.660  10.835  -2.548  1.00 73.57           C  
-ATOM   1454  CG  PRO A  99      16.072  10.451  -1.208  1.00 79.82           C  
-ATOM   1455  CD  PRO A  99      16.159   8.937  -1.226  1.00 74.02           C  
-ATOM   1456  HA  PRO A  99      15.328   9.983  -4.015  1.00 74.41           H  
-ATOM   1457  HB3 PRO A  99      16.313  11.813  -2.882  1.00 73.57           H  
-ATOM   1458  HB2 PRO A  99      17.746  10.891  -2.452  1.00 73.57           H  
-ATOM   1459  HG3 PRO A  99      15.025  10.755  -1.169  1.00 79.82           H  
-ATOM   1460  HG2 PRO A  99      16.588  10.904  -0.362  1.00 79.82           H  
-ATOM   1461  HD2 PRO A  99      17.155   8.606  -0.944  1.00 74.02           H  
-ATOM   1462  HD3 PRO A  99      15.453   8.534  -0.509  1.00 74.02           H  
-ATOM   1463  N   ASN A 100      18.218   8.494  -4.401  1.00 69.40           N  
-ATOM   1464  CA  ASN A 100      19.368   8.265  -5.287  1.00 56.49           C  
-ATOM   1465  C   ASN A 100      19.157   7.062  -6.213  1.00 55.65           C  
-ATOM   1466  O   ASN A 100      20.123   6.592  -6.813  1.00 67.28           O  
-ATOM   1467  CB  ASN A 100      20.654   8.194  -4.438  1.00 57.70           C  
-ATOM   1468  CG  ASN A 100      20.999   9.567  -3.857  1.00 53.90           C  
-ATOM   1469  OD1 ASN A 100      21.160  10.533  -4.597  1.00 61.10           O  
-ATOM   1470  ND2 ASN A 100      21.120   9.672  -2.537  1.00 62.35           N  
-ATOM   1471  H   ASN A 100      18.131   7.868  -3.613  1.00 69.40           H  
-ATOM   1472  HA  ASN A 100      19.473   9.116  -5.961  1.00 56.49           H  
-ATOM   1473  HB3 ASN A 100      21.498   7.903  -5.061  1.00 57.70           H  
-ATOM   1474  HB2 ASN A 100      20.579   7.442  -3.654  1.00 57.70           H  
-ATOM   1475 HD22 ASN A 100      21.340  10.561  -2.113  1.00 62.35           H  
-ATOM   1476 HD21 ASN A 100      20.981   8.863  -1.943  1.00 62.35           H  
-ATOM   1477  N   GLY A 101      17.888   6.649  -6.374  1.00 55.36           N  
-ATOM   1478  CA  GLY A 101      17.456   5.664  -7.351  1.00 64.39           C  
-ATOM   1479  C   GLY A 101      18.041   4.291  -7.029  1.00 66.44           C  
-ATOM   1480  O   GLY A 101      17.930   3.839  -5.892  1.00 62.16           O  
-ATOM   1481  H   GLY A 101      17.161   7.098  -5.833  1.00 55.36           H  
-ATOM   1482  HA3 GLY A 101      17.750   6.007  -8.337  1.00 64.39           H  
-ATOM   1483  HA2 GLY A 101      16.369   5.614  -7.327  1.00 64.39           H  
-ATOM   1484  N   SER A 102      18.631   3.643  -8.044  1.00 67.24           N  
-ATOM   1485  CA  SER A 102      19.233   2.317  -7.945  1.00 68.83           C  
-ATOM   1486  C   SER A 102      20.735   2.351  -8.245  1.00 59.61           C  
-ATOM   1487  O   SER A 102      21.242   3.324  -8.806  1.00 64.02           O  
-ATOM   1488  CB  SER A 102      18.478   1.341  -8.869  1.00 68.38           C  
-ATOM   1489  OG  SER A 102      18.930   1.381 -10.206  1.00 69.65           O  
-ATOM   1490  H   SER A 102      18.683   4.085  -8.951  1.00 67.24           H  
-ATOM   1491  HA  SER A 102      19.125   1.963  -6.927  1.00 68.83           H  
-ATOM   1492  HB3 SER A 102      17.403   1.522  -8.840  1.00 68.38           H  
-ATOM   1493  HB2 SER A 102      18.624   0.324  -8.506  1.00 68.38           H  
-ATOM   1494  HG  SER A 102      18.524   2.136 -10.653  1.00 69.65           H  
-ATOM   1495  N   LEU A 103      21.404   1.241  -7.902  1.00 54.69           N  
-ATOM   1496  CA  LEU A 103      22.807   0.981  -8.203  1.00 56.39           C  
-ATOM   1497  C   LEU A 103      23.113   1.030  -9.709  1.00 49.67           C  
-ATOM   1498  O   LEU A 103      24.181   1.513 -10.069  1.00 54.22           O  
-ATOM   1499  CB  LEU A 103      23.208  -0.360  -7.555  1.00 58.01           C  
-ATOM   1500  CG  LEU A 103      24.688  -0.757  -7.696  1.00 52.62           C  
-ATOM   1501  CD1 LEU A 103      25.624   0.332  -7.140  1.00 52.19           C  
-ATOM   1502  CD2 LEU A 103      24.951  -2.131  -7.052  1.00 52.60           C  
-ATOM   1503  H   LEU A 103      20.908   0.498  -7.426  1.00 54.69           H  
-ATOM   1504  HA  LEU A 103      23.377   1.781  -7.729  1.00 56.39           H  
-ATOM   1505  HB3 LEU A 103      22.599  -1.158  -7.977  1.00 58.01           H  
-ATOM   1506  HB2 LEU A 103      22.959  -0.319  -6.494  1.00 58.01           H  
-ATOM   1507  HG  LEU A 103      24.898  -0.868  -8.757  1.00 52.62           H  
-ATOM   1508 HD11 LEU A 103      26.584  -0.073  -6.824  1.00 52.19           H  
-ATOM   1509 HD12 LEU A 103      25.838   1.093  -7.887  1.00 52.19           H  
-ATOM   1510 HD13 LEU A 103      25.178   0.842  -6.287  1.00 52.19           H  
-ATOM   1511 HD21 LEU A 103      25.361  -2.824  -7.785  1.00 52.60           H  
-ATOM   1512 HD22 LEU A 103      25.665  -2.078  -6.232  1.00 52.60           H  
-ATOM   1513 HD23 LEU A 103      24.042  -2.584  -6.656  1.00 52.60           H  
-ATOM   1514  N   ASN A 104      22.159   0.608 -10.558  1.00 56.99           N  
-ATOM   1515  CA  ASN A 104      22.254   0.682 -12.016  1.00 56.98           C  
-ATOM   1516  C   ASN A 104      22.551   2.105 -12.522  1.00 55.41           C  
-ATOM   1517  O   ASN A 104      23.508   2.276 -13.275  1.00 59.60           O  
-ATOM   1518  CB  ASN A 104      20.969   0.123 -12.663  1.00 70.71           C  
-ATOM   1519  CG  ASN A 104      21.160  -0.133 -14.157  1.00 78.03           C  
-ATOM   1520  OD1 ASN A 104      20.994   0.769 -14.972  1.00 92.96           O  
-ATOM   1521  ND2 ASN A 104      21.543  -1.355 -14.518  1.00 77.56           N  
-ATOM   1522  H   ASN A 104      21.290   0.247 -10.185  1.00 56.99           H  
-ATOM   1523  HA  ASN A 104      23.099   0.065 -12.329  1.00 56.98           H  
-ATOM   1524  HB3 ASN A 104      20.125   0.797 -12.518  1.00 70.71           H  
-ATOM   1525  HB2 ASN A 104      20.688  -0.816 -12.191  1.00 70.71           H  
-ATOM   1526 HD22 ASN A 104      21.706  -1.572 -15.490  1.00 77.56           H  
-ATOM   1527 HD21 ASN A 104      21.682  -2.073 -13.820  1.00 77.56           H  
-ATOM   1528  N   GLU A 105      21.763   3.092 -12.061  1.00 54.19           N  
-ATOM   1529  CA  GLU A 105      21.964   4.507 -12.376  1.00 58.61           C  
-ATOM   1530  C   GLU A 105      23.319   5.030 -11.900  1.00 64.13           C  
-ATOM   1531  O   GLU A 105      23.996   5.692 -12.682  1.00 63.79           O  
-ATOM   1532  CB  GLU A 105      20.813   5.355 -11.813  1.00 63.61           C  
-ATOM   1533  CG  GLU A 105      19.482   5.083 -12.541  1.00 79.74           C  
-ATOM   1534  CD  GLU A 105      18.354   4.642 -11.613  1.00 95.99           C  
-ATOM   1535  OE1 GLU A 105      17.919   5.477 -10.795  1.00 96.48           O  
-ATOM   1536  OE2 GLU A 105      17.928   3.477 -11.750  1.00127.14           O1-
-ATOM   1537  H   GLU A 105      21.002   2.875 -11.432  1.00 54.19           H  
-ATOM   1538  HA  GLU A 105      21.956   4.603 -13.463  1.00 58.61           H  
-ATOM   1539  HB3 GLU A 105      21.053   6.415 -11.902  1.00 63.61           H  
-ATOM   1540  HB2 GLU A 105      20.719   5.171 -10.742  1.00 63.61           H  
-ATOM   1541  HG3 GLU A 105      19.612   4.351 -13.341  1.00 79.74           H  
-ATOM   1542  HG2 GLU A 105      19.160   5.994 -13.043  1.00 79.74           H  
-ATOM   1543  N   LEU A 106      23.720   4.675 -10.668  1.00 62.36           N  
-ATOM   1544  CA  LEU A 106      25.025   5.044 -10.128  1.00 55.96           C  
-ATOM   1545  C   LEU A 106      26.193   4.534 -10.984  1.00 59.52           C  
-ATOM   1546  O   LEU A 106      27.090   5.318 -11.278  1.00 59.94           O  
-ATOM   1547  CB  LEU A 106      25.156   4.608  -8.654  1.00 57.63           C  
-ATOM   1548  CG  LEU A 106      26.464   5.082  -7.976  1.00 49.86           C  
-ATOM   1549  CD1 LEU A 106      26.619   6.615  -8.026  1.00 52.48           C  
-ATOM   1550  CD2 LEU A 106      26.586   4.540  -6.544  1.00 55.58           C  
-ATOM   1551  H   LEU A 106      23.121   4.111 -10.081  1.00 62.36           H  
-ATOM   1552  HA  LEU A 106      25.055   6.130 -10.159  1.00 55.96           H  
-ATOM   1553  HB3 LEU A 106      25.088   3.522  -8.589  1.00 57.63           H  
-ATOM   1554  HB2 LEU A 106      24.305   4.993  -8.090  1.00 57.63           H  
-ATOM   1555  HG  LEU A 106      27.306   4.651  -8.517  1.00 49.86           H  
-ATOM   1556 HD11 LEU A 106      27.022   7.014  -7.098  1.00 52.48           H  
-ATOM   1557 HD12 LEU A 106      27.299   6.913  -8.823  1.00 52.48           H  
-ATOM   1558 HD13 LEU A 106      25.669   7.121  -8.195  1.00 52.48           H  
-ATOM   1559 HD21 LEU A 106      27.612   4.245  -6.326  1.00 55.58           H  
-ATOM   1560 HD22 LEU A 106      26.290   5.276  -5.796  1.00 55.58           H  
-ATOM   1561 HD23 LEU A 106      25.967   3.657  -6.394  1.00 55.58           H  
-ATOM   1562  N   LEU A 107      26.149   3.252 -11.377  1.00 59.78           N  
-ATOM   1563  CA  LEU A 107      27.216   2.604 -12.133  1.00 61.27           C  
-ATOM   1564  C   LEU A 107      27.303   3.063 -13.594  1.00 63.70           C  
-ATOM   1565  O   LEU A 107      28.414   3.123 -14.114  1.00 61.29           O  
-ATOM   1566  CB  LEU A 107      27.056   1.070 -12.072  1.00 66.03           C  
-ATOM   1567  CG  LEU A 107      27.254   0.440 -10.679  1.00 64.37           C  
-ATOM   1568  CD1 LEU A 107      27.021  -1.076 -10.747  1.00 60.99           C  
-ATOM   1569  CD2 LEU A 107      28.608   0.772 -10.036  1.00 65.51           C  
-ATOM   1570  H   LEU A 107      25.370   2.668 -11.100  1.00 59.78           H  
-ATOM   1571  HA  LEU A 107      28.166   2.876 -11.673  1.00 61.27           H  
-ATOM   1572  HB3 LEU A 107      27.773   0.607 -12.752  1.00 66.03           H  
-ATOM   1573  HB2 LEU A 107      26.070   0.801 -12.455  1.00 66.03           H  
-ATOM   1574  HG  LEU A 107      26.499   0.846 -10.016  1.00 64.37           H  
-ATOM   1575 HD11 LEU A 107      26.761  -1.489  -9.777  1.00 60.99           H  
-ATOM   1576 HD12 LEU A 107      26.215  -1.329 -11.437  1.00 60.99           H  
-ATOM   1577 HD13 LEU A 107      27.915  -1.589 -11.092  1.00 60.99           H  
-ATOM   1578 HD21 LEU A 107      28.768   0.178  -9.138  1.00 65.51           H  
-ATOM   1579 HD22 LEU A 107      29.434   0.575 -10.718  1.00 65.51           H  
-ATOM   1580 HD23 LEU A 107      28.659   1.815  -9.726  1.00 65.51           H  
-ATOM   1581  N   HIS A 108      26.163   3.349 -14.243  1.00 67.78           N  
-ATOM   1582  CA  HIS A 108      26.103   3.470 -15.703  1.00 74.07           C  
-ATOM   1583  C   HIS A 108      25.764   4.872 -16.230  1.00 76.93           C  
-ATOM   1584  O   HIS A 108      25.993   5.098 -17.417  1.00 72.59           O  
-ATOM   1585  CB  HIS A 108      25.198   2.354 -16.264  1.00 68.36           C  
-ATOM   1586  CG  HIS A 108      25.713   0.973 -15.937  1.00 69.00           C  
-ATOM   1587  ND1 HIS A 108      27.020   0.580 -16.241  1.00 64.46           N  
-ATOM   1588  CE1 HIS A 108      27.139  -0.653 -15.781  1.00 64.87           C  
-ATOM   1589  NE2 HIS A 108      26.021  -1.083 -15.210  1.00 65.60           N  
-ATOM   1590  CD2 HIS A 108      25.088  -0.067 -15.289  1.00 68.08           C  
-ATOM   1591  H   HIS A 108      25.278   3.280 -13.758  1.00 67.78           H  
-ATOM   1592  HA  HIS A 108      27.091   3.288 -16.128  1.00 74.07           H  
-ATOM   1593  HB3 HIS A 108      25.125   2.437 -17.348  1.00 68.36           H  
-ATOM   1594  HB2 HIS A 108      24.184   2.458 -15.877  1.00 68.36           H  
-ATOM   1595  HE1 HIS A 108      28.044  -1.235 -15.846  1.00 64.87           H  
-ATOM   1596  HD2 HIS A 108      24.095  -0.160 -14.878  1.00 68.08           H  
-ATOM   1597  HE2 HIS A 108      25.866  -1.994 -14.788  1.00 65.60           H  
-ATOM   1598  N   ARG A 109      25.318   5.812 -15.375  1.00 73.30           N  
-ATOM   1599  CA  ARG A 109      25.236   7.238 -15.725  1.00 69.85           C  
-ATOM   1600  C   ARG A 109      26.578   7.913 -15.418  1.00 66.71           C  
-ATOM   1601  O   ARG A 109      26.736   8.527 -14.364  1.00 70.09           O  
-ATOM   1602  CB  ARG A 109      24.074   7.935 -14.995  1.00 73.68           C  
-ATOM   1603  CG  ARG A 109      22.694   7.427 -15.428  1.00 87.31           C  
-ATOM   1604  CD  ARG A 109      21.577   8.240 -14.771  1.00 98.40           C  
-ATOM   1605  NE  ARG A 109      20.240   7.772 -15.164  1.00123.18           N  
-ATOM   1606  CZ  ARG A 109      19.072   8.194 -14.648  1.00129.89           C  
-ATOM   1607  NH1 ARG A 109      19.020   9.091 -13.652  1.00123.54           N  
-ATOM   1608  NH2 ARG A 109      17.928   7.707 -15.143  1.00115.29           N1+
-ATOM   1609  H   ARG A 109      25.137   5.577 -14.409  1.00 73.30           H  
-ATOM   1610  HA  ARG A 109      25.052   7.351 -16.795  1.00 69.85           H  
-ATOM   1611  HB3 ARG A 109      24.118   9.004 -15.211  1.00 73.68           H  
-ATOM   1612  HB2 ARG A 109      24.186   7.856 -13.915  1.00 73.68           H  
-ATOM   1613  HG3 ARG A 109      22.574   6.362 -15.226  1.00 87.31           H  
-ATOM   1614  HG2 ARG A 109      22.627   7.545 -16.509  1.00 87.31           H  
-ATOM   1615  HD3 ARG A 109      21.646   9.269 -15.124  1.00 98.40           H  
-ATOM   1616  HD2 ARG A 109      21.700   8.264 -13.688  1.00 98.40           H  
-ATOM   1617  HE  ARG A 109      20.218   7.081 -15.899  1.00123.18           H  
-ATOM   1618 HH12 ARG A 109      18.138   9.381 -13.256  1.00123.54           H  
-ATOM   1619 HH11 ARG A 109      19.875   9.510 -13.309  1.00123.54           H  
-ATOM   1620 HH22 ARG A 109      17.041   7.995 -14.757  1.00115.29           H  
-ATOM   1621 HH21 ARG A 109      17.941   7.037 -15.898  1.00115.29           H  
-ATOM   1622  N   LYS A 110      27.533   7.753 -16.345  1.00 72.95           N  
-ATOM   1623  CA  LYS A 110      28.926   8.155 -16.157  1.00 69.67           C  
-ATOM   1624  C   LYS A 110      29.214   9.642 -16.402  1.00 72.86           C  
-ATOM   1625  O   LYS A 110      30.310  10.071 -16.059  1.00 75.79           O  
-ATOM   1626  CB  LYS A 110      29.842   7.305 -17.045  1.00 74.73           C  
-ATOM   1627  CG  LYS A 110      29.640   5.795 -16.880  1.00 79.83           C  
-ATOM   1628  CD  LYS A 110      30.945   5.039 -17.122  1.00 83.82           C  
-ATOM   1629  CE  LYS A 110      30.708   3.564 -17.425  1.00 91.35           C  
-ATOM   1630  NZ  LYS A 110      31.977   2.854 -17.644  1.00101.11           N1+
-ATOM   1631  H   LYS A 110      27.328   7.226 -17.182  1.00 72.95           H  
-ATOM   1632  HA  LYS A 110      29.200   7.955 -15.121  1.00 69.67           H  
-ATOM   1633  HB3 LYS A 110      30.876   7.557 -16.801  1.00 74.73           H  
-ATOM   1634  HB2 LYS A 110      29.712   7.564 -18.096  1.00 74.73           H  
-ATOM   1635  HG3 LYS A 110      28.873   5.458 -17.578  1.00 79.83           H  
-ATOM   1636  HG2 LYS A 110      29.269   5.557 -15.884  1.00 79.83           H  
-ATOM   1637  HD3 LYS A 110      31.576   5.139 -16.237  1.00 83.82           H  
-ATOM   1638  HD2 LYS A 110      31.493   5.501 -17.944  1.00 83.82           H  
-ATOM   1639  HE3 LYS A 110      30.105   3.477 -18.326  1.00 91.35           H  
-ATOM   1640  HE2 LYS A 110      30.160   3.092 -16.609  1.00 91.35           H  
-ATOM   1641  HZ1 LYS A 110      32.559   2.939 -16.824  1.00101.11           H  
-ATOM   1642  HZ2 LYS A 110      31.778   1.877 -17.812  1.00101.11           H  
-ATOM   1643  HZ3 LYS A 110      32.453   3.247 -18.442  1.00101.11           H  
-ATOM   1644  N   THR A 111      28.283  10.414 -16.979  1.00 79.90           N  
-ATOM   1645  CA  THR A 111      28.448  11.868 -17.087  1.00 87.45           C  
-ATOM   1646  C   THR A 111      27.832  12.572 -15.867  1.00 84.82           C  
-ATOM   1647  O   THR A 111      28.417  13.550 -15.404  1.00 80.32           O  
-ATOM   1648  CB  THR A 111      27.845  12.439 -18.390  1.00 88.28           C  
-ATOM   1649  OG1 THR A 111      26.452  12.213 -18.486  1.00 88.62           O  
-ATOM   1650  CG2 THR A 111      28.535  11.881 -19.644  1.00 94.20           C  
-ATOM   1651  H   THR A 111      27.407  10.025 -17.296  1.00 79.90           H  
-ATOM   1652  HA  THR A 111      29.508  12.128 -17.101  1.00 87.45           H  
-ATOM   1653  HB  THR A 111      27.987  13.521 -18.393  1.00 88.28           H  
-ATOM   1654  HG1 THR A 111      26.005  12.758 -17.835  1.00 88.62           H  
-ATOM   1655 HG21 THR A 111      28.126  12.334 -20.546  1.00 94.20           H  
-ATOM   1656 HG22 THR A 111      29.604  12.090 -19.629  1.00 94.20           H  
-ATOM   1657 HG23 THR A 111      28.407  10.803 -19.729  1.00 94.20           H  
-ATOM   1658  N   GLU A 112      26.733  12.026 -15.313  1.00 85.19           N  
-ATOM   1659  CA  GLU A 112      26.170  12.477 -14.042  1.00 82.00           C  
-ATOM   1660  C   GLU A 112      27.128  12.127 -12.878  1.00 81.88           C  
-ATOM   1661  O   GLU A 112      27.342  12.971 -12.010  1.00 69.20           O  
-ATOM   1662  CB  GLU A 112      24.746  11.890 -13.873  1.00 93.52           C  
-ATOM   1663  CG  GLU A 112      23.833  12.805 -13.029  1.00115.63           C  
-ATOM   1664  CD  GLU A 112      22.445  12.247 -12.667  1.00128.53           C  
-ATOM   1665  OE1 GLU A 112      21.934  11.351 -13.376  1.00119.24           O  
-ATOM   1666  OE2 GLU A 112      21.903  12.744 -11.657  1.00118.71           O1-
-ATOM   1667  H   GLU A 112      26.309  11.210 -15.729  1.00 85.19           H  
-ATOM   1668  HA  GLU A 112      26.087  13.564 -14.096  1.00 82.00           H  
-ATOM   1669  HB3 GLU A 112      24.805  10.907 -13.404  1.00 93.52           H  
-ATOM   1670  HB2 GLU A 112      24.288  11.726 -14.849  1.00 93.52           H  
-ATOM   1671  HG3 GLU A 112      23.687  13.752 -13.549  1.00115.63           H  
-ATOM   1672  HG2 GLU A 112      24.353  13.049 -12.101  1.00115.63           H  
-ATOM   1673  N   TYR A 113      27.741  10.929 -12.924  1.00 75.55           N  
-ATOM   1674  CA  TYR A 113      28.675  10.421 -11.918  1.00 66.27           C  
-ATOM   1675  C   TYR A 113      30.005  10.016 -12.573  1.00 63.29           C  
-ATOM   1676  O   TYR A 113      30.234   8.820 -12.734  1.00 74.12           O  
-ATOM   1677  CB  TYR A 113      28.050   9.208 -11.194  1.00 63.64           C  
-ATOM   1678  CG  TYR A 113      26.700   9.453 -10.567  1.00 65.29           C  
-ATOM   1679  CD1 TYR A 113      26.546  10.440  -9.575  1.00 69.65           C  
-ATOM   1680  CE1 TYR A 113      25.290  10.641  -8.976  1.00 70.80           C  
-ATOM   1681  CZ  TYR A 113      24.190   9.857  -9.371  1.00 67.50           C  
-ATOM   1682  OH  TYR A 113      22.978  10.037  -8.776  1.00 75.09           O  
-ATOM   1683  CE2 TYR A 113      24.338   8.887 -10.379  1.00 73.53           C  
-ATOM   1684  CD2 TYR A 113      25.593   8.686 -10.978  1.00 65.74           C  
-ATOM   1685  H   TYR A 113      27.516  10.292 -13.675  1.00 75.55           H  
-ATOM   1686  HA  TYR A 113      28.885  11.172 -11.158  1.00 66.27           H  
-ATOM   1687  HB3 TYR A 113      28.722   8.859 -10.409  1.00 63.64           H  
-ATOM   1688  HB2 TYR A 113      27.936   8.370 -11.883  1.00 63.64           H  
-ATOM   1689  HD1 TYR A 113      27.385  11.046  -9.267  1.00 69.65           H  
-ATOM   1690  HE1 TYR A 113      25.174  11.394  -8.210  1.00 70.80           H  
-ATOM   1691  HH  TYR A 113      22.283   9.496  -9.157  1.00 75.09           H  
-ATOM   1692  HE2 TYR A 113      23.495   8.288 -10.692  1.00 73.53           H  
-ATOM   1693  HD2 TYR A 113      25.699   7.935 -11.746  1.00 65.74           H  
-ATOM   1694  N   PRO A 114      30.882  10.974 -12.948  1.00 72.20           N  
-ATOM   1695  CA  PRO A 114      32.191  10.633 -13.544  1.00 74.76           C  
-ATOM   1696  C   PRO A 114      33.055   9.696 -12.691  1.00 70.78           C  
-ATOM   1697  O   PRO A 114      33.675   8.791 -13.250  1.00 87.21           O  
-ATOM   1698  CB  PRO A 114      32.852  11.995 -13.811  1.00 69.28           C  
-ATOM   1699  CG  PRO A 114      32.151  12.965 -12.873  1.00 62.79           C  
-ATOM   1700  CD  PRO A 114      30.731  12.419 -12.790  1.00 61.49           C  
-ATOM   1701  HA  PRO A 114      32.065  10.121 -14.491  1.00 74.76           H  
-ATOM   1702  HB3 PRO A 114      32.658  12.286 -14.843  1.00 69.28           H  
-ATOM   1703  HB2 PRO A 114      33.935  11.997 -13.672  1.00 69.28           H  
-ATOM   1704  HG3 PRO A 114      32.196  14.001 -13.208  1.00 62.79           H  
-ATOM   1705  HG2 PRO A 114      32.618  12.913 -11.890  1.00 62.79           H  
-ATOM   1706  HD2 PRO A 114      30.260  12.721 -11.855  1.00 61.49           H  
-ATOM   1707  HD3 PRO A 114      30.127  12.795 -13.613  1.00 61.49           H  
-ATOM   1708  N   ASP A 115      33.029   9.902 -11.366  1.00 76.13           N  
-ATOM   1709  CA  ASP A 115      33.891   9.236 -10.398  1.00 73.72           C  
-ATOM   1710  C   ASP A 115      33.063   8.734  -9.215  1.00 72.74           C  
-ATOM   1711  O   ASP A 115      32.497   9.541  -8.479  1.00 77.87           O  
-ATOM   1712  CB  ASP A 115      35.019  10.182  -9.918  1.00 77.98           C  
-ATOM   1713  CG  ASP A 115      35.966  10.650 -11.036  1.00101.93           C  
-ATOM   1714  OD1 ASP A 115      36.302   9.817 -11.906  1.00111.44           O  
-ATOM   1715  OD2 ASP A 115      36.440  11.802 -10.940  1.00120.60           O1-
-ATOM   1716  H   ASP A 115      32.462  10.651 -10.996  1.00 76.13           H  
-ATOM   1717  HA  ASP A 115      34.350   8.358 -10.856  1.00 73.72           H  
-ATOM   1718  HB3 ASP A 115      35.620   9.696  -9.150  1.00 77.98           H  
-ATOM   1719  HB2 ASP A 115      34.573  11.066  -9.458  1.00 77.98           H  
-ATOM   1720  N   VAL A 116      33.054   7.406  -9.038  1.00 65.54           N  
-ATOM   1721  CA  VAL A 116      32.483   6.738  -7.876  1.00 54.60           C  
-ATOM   1722  C   VAL A 116      33.661   6.076  -7.147  1.00 52.73           C  
-ATOM   1723  O   VAL A 116      34.183   5.071  -7.621  1.00 58.57           O  
-ATOM   1724  CB  VAL A 116      31.434   5.662  -8.278  1.00 57.64           C  
-ATOM   1725  CG1 VAL A 116      30.769   5.011  -7.049  1.00 63.85           C  
-ATOM   1726  CG2 VAL A 116      30.338   6.247  -9.185  1.00 62.40           C  
-ATOM   1727  H   VAL A 116      33.555   6.817  -9.685  1.00 65.54           H  
-ATOM   1728  HA  VAL A 116      32.000   7.447  -7.204  1.00 54.60           H  
-ATOM   1729  HB  VAL A 116      31.925   4.875  -8.851  1.00 57.64           H  
-ATOM   1730 HG11 VAL A 116      30.031   4.268  -7.352  1.00 63.85           H  
-ATOM   1731 HG12 VAL A 116      31.490   4.503  -6.412  1.00 63.85           H  
-ATOM   1732 HG13 VAL A 116      30.255   5.754  -6.438  1.00 63.85           H  
-ATOM   1733 HG21 VAL A 116      29.639   5.474  -9.504  1.00 62.40           H  
-ATOM   1734 HG22 VAL A 116      29.764   7.013  -8.668  1.00 62.40           H  
-ATOM   1735 HG23 VAL A 116      30.745   6.703 -10.083  1.00 62.40           H  
-ATOM   1736  N   ALA A 117      34.108   6.686  -6.040  1.00 55.22           N  
-ATOM   1737  CA  ALA A 117      35.276   6.243  -5.282  1.00 58.17           C  
-ATOM   1738  C   ALA A 117      35.089   4.840  -4.689  1.00 58.67           C  
-ATOM   1739  O   ALA A 117      33.972   4.475  -4.315  1.00 58.59           O  
-ATOM   1740  CB  ALA A 117      35.577   7.272  -4.189  1.00 53.47           C  
-ATOM   1741  H   ALA A 117      33.651   7.529  -5.711  1.00 55.22           H  
-ATOM   1742  HA  ALA A 117      36.124   6.220  -5.970  1.00 58.17           H  
-ATOM   1743  HB1 ALA A 117      36.506   7.040  -3.669  1.00 53.47           H  
-ATOM   1744  HB2 ALA A 117      35.685   8.272  -4.609  1.00 53.47           H  
-ATOM   1745  HB3 ALA A 117      34.779   7.308  -3.454  1.00 53.47           H  
-ATOM   1746  N   TRP A 118      36.208   4.100  -4.601  1.00 59.01           N  
-ATOM   1747  CA  TRP A 118      36.269   2.730  -4.096  1.00 55.96           C  
-ATOM   1748  C   TRP A 118      35.603   2.474  -2.743  1.00 54.64           C  
-ATOM   1749  O   TRP A 118      34.840   1.516  -2.688  1.00 56.11           O  
-ATOM   1750  CB  TRP A 118      37.711   2.196  -4.073  1.00 58.57           C  
-ATOM   1751  CG  TRP A 118      38.376   2.171  -5.405  1.00 62.62           C  
-ATOM   1752  CD1 TRP A 118      39.485   2.856  -5.765  1.00 56.16           C  
-ATOM   1753  NE1 TRP A 118      39.770   2.596  -7.089  1.00 66.83           N  
-ATOM   1754  CE2 TRP A 118      38.841   1.747  -7.650  1.00 58.12           C  
-ATOM   1755  CD2 TRP A 118      37.945   1.440  -6.584  1.00 61.41           C  
-ATOM   1756  CE3 TRP A 118      36.881   0.552  -6.863  1.00 62.95           C  
-ATOM   1757  CZ3 TRP A 118      36.703   0.025  -8.152  1.00 64.02           C  
-ATOM   1758  CH2 TRP A 118      37.584   0.372  -9.192  1.00 63.77           C  
-ATOM   1759  CZ2 TRP A 118      38.676   1.220  -8.939  1.00 57.32           C  
-ATOM   1760  H   TRP A 118      37.082   4.488  -4.925  1.00 59.01           H  
-ATOM   1761  HA  TRP A 118      35.707   2.136  -4.818  1.00 55.96           H  
-ATOM   1762  HB3 TRP A 118      37.711   1.172  -3.698  1.00 58.57           H  
-ATOM   1763  HB2 TRP A 118      38.332   2.770  -3.387  1.00 58.57           H  
-ATOM   1764  HD1 TRP A 118      40.052   3.497  -5.107  1.00 56.16           H  
-ATOM   1765  HE1 TRP A 118      40.569   2.990  -7.571  1.00 66.83           H  
-ATOM   1766  HE3 TRP A 118      36.191   0.275  -6.080  1.00 62.95           H  
-ATOM   1767  HZ3 TRP A 118      35.879  -0.641  -8.351  1.00 64.02           H  
-ATOM   1768  HH2 TRP A 118      37.436  -0.033 -10.181  1.00 63.77           H  
-ATOM   1769  HZ2 TRP A 118      39.374   1.469  -9.724  1.00 57.32           H  
-ATOM   1770  N   PRO A 119      35.805   3.327  -1.709  1.00 58.65           N  
-ATOM   1771  CA  PRO A 119      35.188   3.094  -0.396  1.00 56.33           C  
-ATOM   1772  C   PRO A 119      33.664   2.940  -0.482  1.00 52.03           C  
-ATOM   1773  O   PRO A 119      33.137   1.970   0.052  1.00 55.43           O  
-ATOM   1774  CB  PRO A 119      35.620   4.297   0.457  1.00 59.75           C  
-ATOM   1775  CG  PRO A 119      36.844   4.855  -0.246  1.00 54.29           C  
-ATOM   1776  CD  PRO A 119      36.566   4.574  -1.705  1.00 54.21           C  
-ATOM   1777  HA  PRO A 119      35.625   2.183   0.017  1.00 56.33           H  
-ATOM   1778  HB3 PRO A 119      35.828   4.021   1.490  1.00 59.75           H  
-ATOM   1779  HB2 PRO A 119      34.843   5.062   0.480  1.00 59.75           H  
-ATOM   1780  HG3 PRO A 119      37.733   4.313   0.068  1.00 54.29           H  
-ATOM   1781  HG2 PRO A 119      37.007   5.913  -0.049  1.00 54.29           H  
-ATOM   1782  HD2 PRO A 119      35.933   5.368  -2.095  1.00 54.21           H  
-ATOM   1783  HD3 PRO A 119      37.491   4.545  -2.278  1.00 54.21           H  
-ATOM   1784  N   LEU A 120      32.997   3.813  -1.251  1.00 49.28           N  
-ATOM   1785  CA  LEU A 120      31.562   3.704  -1.486  1.00 49.80           C  
-ATOM   1786  C   LEU A 120      31.150   2.407  -2.197  1.00 48.07           C  
-ATOM   1787  O   LEU A 120      30.166   1.803  -1.777  1.00 46.97           O  
-ATOM   1788  CB  LEU A 120      31.053   4.948  -2.228  1.00 48.51           C  
-ATOM   1789  CG  LEU A 120      29.526   4.986  -2.434  1.00 48.26           C  
-ATOM   1790  CD1 LEU A 120      28.760   4.914  -1.099  1.00 47.11           C  
-ATOM   1791  CD2 LEU A 120      29.120   6.209  -3.267  1.00 50.36           C  
-ATOM   1792  H   LEU A 120      33.484   4.567  -1.715  1.00 49.28           H  
-ATOM   1793  HA  LEU A 120      31.102   3.680  -0.498  1.00 49.80           H  
-ATOM   1794  HB3 LEU A 120      31.557   5.026  -3.192  1.00 48.51           H  
-ATOM   1795  HB2 LEU A 120      31.338   5.829  -1.660  1.00 48.51           H  
-ATOM   1796  HG  LEU A 120      29.239   4.121  -3.030  1.00 48.26           H  
-ATOM   1797 HD11 LEU A 120      27.960   5.650  -1.043  1.00 47.11           H  
-ATOM   1798 HD12 LEU A 120      28.298   3.935  -0.967  1.00 47.11           H  
-ATOM   1799 HD13 LEU A 120      29.402   5.095  -0.238  1.00 47.11           H  
-ATOM   1800 HD21 LEU A 120      28.374   5.935  -4.014  1.00 50.36           H  
-ATOM   1801 HD22 LEU A 120      28.694   7.002  -2.653  1.00 50.36           H  
-ATOM   1802 HD23 LEU A 120      29.967   6.642  -3.800  1.00 50.36           H  
-ATOM   1803  N   ARG A 121      31.908   1.986  -3.222  1.00 46.46           N  
-ATOM   1804  CA  ARG A 121      31.643   0.739  -3.939  1.00 51.31           C  
-ATOM   1805  C   ARG A 121      31.723  -0.498  -3.044  1.00 45.33           C  
-ATOM   1806  O   ARG A 121      30.813  -1.317  -3.090  1.00 51.74           O  
-ATOM   1807  CB  ARG A 121      32.587   0.556  -5.127  1.00 47.39           C  
-ATOM   1808  CG  ARG A 121      32.582   1.709  -6.123  1.00 52.35           C  
-ATOM   1809  CD  ARG A 121      33.068   1.218  -7.484  1.00 58.39           C  
-ATOM   1810  NE  ARG A 121      33.608   2.305  -8.297  1.00 58.53           N  
-ATOM   1811  CZ  ARG A 121      34.195   2.192  -9.497  1.00 60.87           C  
-ATOM   1812  NH1 ARG A 121      34.243   1.028 -10.155  1.00 60.72           N  
-ATOM   1813  NH2 ARG A 121      34.761   3.272 -10.042  1.00 59.08           N1+
-ATOM   1814  H   ARG A 121      32.719   2.518  -3.507  1.00 46.46           H  
-ATOM   1815  HA  ARG A 121      30.623   0.799  -4.326  1.00 51.31           H  
-ATOM   1816  HB3 ARG A 121      32.315  -0.364  -5.637  1.00 47.39           H  
-ATOM   1817  HB2 ARG A 121      33.611   0.402  -4.784  1.00 47.39           H  
-ATOM   1818  HG3 ARG A 121      33.143   2.568  -5.760  1.00 52.35           H  
-ATOM   1819  HG2 ARG A 121      31.548   2.038  -6.236  1.00 52.35           H  
-ATOM   1820  HD3 ARG A 121      32.189   0.884  -8.034  1.00 58.39           H  
-ATOM   1821  HD2 ARG A 121      33.745   0.366  -7.414  1.00 58.39           H  
-ATOM   1822  HE  ARG A 121      33.622   3.219  -7.858  1.00 58.53           H  
-ATOM   1823 HH12 ARG A 121      34.749   0.941 -11.024  1.00 60.72           H  
-ATOM   1824 HH11 ARG A 121      33.749   0.224  -9.789  1.00 60.72           H  
-ATOM   1825 HH22 ARG A 121      35.234   3.218 -10.933  1.00 59.08           H  
-ATOM   1826 HH21 ARG A 121      34.760   4.145  -9.531  1.00 59.08           H  
-ATOM   1827  N   PHE A 122      32.777  -0.583  -2.219  1.00 53.77           N  
-ATOM   1828  CA  PHE A 122      32.955  -1.651  -1.243  1.00 52.58           C  
-ATOM   1829  C   PHE A 122      31.874  -1.665  -0.156  1.00 50.39           C  
-ATOM   1830  O   PHE A 122      31.433  -2.748   0.218  1.00 48.39           O  
-ATOM   1831  CB  PHE A 122      34.375  -1.602  -0.653  1.00 53.62           C  
-ATOM   1832  CG  PHE A 122      35.434  -2.235  -1.533  1.00 53.34           C  
-ATOM   1833  CD1 PHE A 122      36.000  -1.528  -2.612  1.00 59.47           C  
-ATOM   1834  CE1 PHE A 122      36.905  -2.132  -3.464  1.00 61.85           C  
-ATOM   1835  CZ  PHE A 122      37.247  -3.457  -3.266  1.00 62.39           C  
-ATOM   1836  CD2 PHE A 122      35.768  -3.592  -1.371  1.00 60.43           C  
-ATOM   1837  CE2 PHE A 122      36.699  -4.174  -2.215  1.00 66.10           C  
-ATOM   1838  H   PHE A 122      33.483   0.142  -2.231  1.00 53.77           H  
-ATOM   1839  HA  PHE A 122      32.854  -2.599  -1.776  1.00 52.58           H  
-ATOM   1840  HB3 PHE A 122      34.407  -2.118   0.304  1.00 53.62           H  
-ATOM   1841  HB2 PHE A 122      34.662  -0.570  -0.445  1.00 53.62           H  
-ATOM   1842  HD1 PHE A 122      35.740  -0.515  -2.803  1.00 59.47           H  
-ATOM   1843  HE1 PHE A 122      37.327  -1.580  -4.290  1.00 61.85           H  
-ATOM   1844  HZ  PHE A 122      37.921  -3.941  -3.951  1.00 62.39           H  
-ATOM   1845  HD2 PHE A 122      35.322  -4.174  -0.577  1.00 60.43           H  
-ATOM   1846  HE2 PHE A 122      36.998  -5.193  -2.059  1.00 66.10           H  
-ATOM   1847  N   ARG A 123      31.424  -0.479   0.290  1.00 47.12           N  
-ATOM   1848  CA  ARG A 123      30.340  -0.357   1.261  1.00 53.70           C  
-ATOM   1849  C   ARG A 123      28.995  -0.834   0.703  1.00 48.45           C  
-ATOM   1850  O   ARG A 123      28.286  -1.550   1.403  1.00 50.65           O  
-ATOM   1851  CB  ARG A 123      30.251   1.078   1.795  1.00 52.16           C  
-ATOM   1852  CG  ARG A 123      29.410   1.165   3.081  1.00 53.77           C  
-ATOM   1853  CD  ARG A 123      29.197   2.588   3.597  1.00 49.74           C  
-ATOM   1854  NE  ARG A 123      28.295   3.341   2.719  1.00 52.72           N  
-ATOM   1855  CZ  ARG A 123      27.989   4.641   2.797  1.00 55.25           C  
-ATOM   1856  NH1 ARG A 123      28.522   5.438   3.728  1.00 53.30           N  
-ATOM   1857  NH2 ARG A 123      27.120   5.143   1.919  1.00 58.14           N1+
-ATOM   1858  H   ARG A 123      31.829   0.381  -0.054  1.00 47.12           H  
-ATOM   1859  HA  ARG A 123      30.594  -1.008   2.097  1.00 53.70           H  
-ATOM   1860  HB3 ARG A 123      29.864   1.743   1.022  1.00 52.16           H  
-ATOM   1861  HB2 ARG A 123      31.252   1.434   2.024  1.00 52.16           H  
-ATOM   1862  HG3 ARG A 123      29.833   0.547   3.868  1.00 53.77           H  
-ATOM   1863  HG2 ARG A 123      28.431   0.738   2.873  1.00 53.77           H  
-ATOM   1864  HD3 ARG A 123      30.152   3.111   3.566  1.00 49.74           H  
-ATOM   1865  HD2 ARG A 123      28.866   2.592   4.635  1.00 49.74           H  
-ATOM   1866  HE  ARG A 123      27.829   2.790   2.006  1.00 52.72           H  
-ATOM   1867 HH12 ARG A 123      28.255   6.415   3.781  1.00 53.30           H  
-ATOM   1868 HH11 ARG A 123      29.171   5.063   4.403  1.00 53.30           H  
-ATOM   1869 HH22 ARG A 123      26.808   6.103   1.991  1.00 58.14           H  
-ATOM   1870 HH21 ARG A 123      26.706   4.547   1.218  1.00 58.14           H  
-ATOM   1871  N   ILE A 124      28.694  -0.478  -0.554  1.00 44.09           N  
-ATOM   1872  CA  ILE A 124      27.511  -0.947  -1.271  1.00 49.90           C  
-ATOM   1873  C   ILE A 124      27.494  -2.480  -1.407  1.00 49.10           C  
-ATOM   1874  O   ILE A 124      26.473  -3.086  -1.094  1.00 48.01           O  
-ATOM   1875  CB  ILE A 124      27.366  -0.258  -2.659  1.00 47.76           C  
-ATOM   1876  CG1 ILE A 124      26.962   1.223  -2.479  1.00 47.89           C  
-ATOM   1877  CG2 ILE A 124      26.395  -0.960  -3.629  1.00 48.64           C  
-ATOM   1878  CD1 ILE A 124      27.119   2.085  -3.736  1.00 52.15           C  
-ATOM   1879  H   ILE A 124      29.320   0.128  -1.067  1.00 44.09           H  
-ATOM   1880  HA  ILE A 124      26.646  -0.672  -0.665  1.00 49.90           H  
-ATOM   1881  HB  ILE A 124      28.348  -0.264  -3.133  1.00 47.76           H  
-ATOM   1882 HG13 ILE A 124      27.567   1.679  -1.700  1.00 47.89           H  
-ATOM   1883 HG12 ILE A 124      25.931   1.281  -2.129  1.00 47.89           H  
-ATOM   1884 HG21 ILE A 124      26.273  -0.389  -4.542  1.00 48.64           H  
-ATOM   1885 HG22 ILE A 124      26.762  -1.939  -3.937  1.00 48.64           H  
-ATOM   1886 HG23 ILE A 124      25.407  -1.088  -3.192  1.00 48.64           H  
-ATOM   1887 HD11 ILE A 124      27.101   3.144  -3.478  1.00 52.15           H  
-ATOM   1888 HD12 ILE A 124      28.061   1.885  -4.246  1.00 52.15           H  
-ATOM   1889 HD13 ILE A 124      26.307   1.916  -4.441  1.00 52.15           H  
-ATOM   1890  N   LEU A 125      28.638  -3.081  -1.779  1.00 45.49           N  
-ATOM   1891  CA  LEU A 125      28.811  -4.534  -1.849  1.00 51.61           C  
-ATOM   1892  C   LEU A 125      28.601  -5.219  -0.497  1.00 49.70           C  
-ATOM   1893  O   LEU A 125      27.897  -6.227  -0.445  1.00 51.47           O  
-ATOM   1894  CB  LEU A 125      30.197  -4.874  -2.433  1.00 49.12           C  
-ATOM   1895  CG  LEU A 125      30.359  -4.462  -3.905  1.00 52.44           C  
-ATOM   1896  CD1 LEU A 125      31.820  -4.584  -4.373  1.00 59.86           C  
-ATOM   1897  CD2 LEU A 125      29.391  -5.218  -4.822  1.00 60.15           C  
-ATOM   1898  H   LEU A 125      29.446  -2.518  -2.012  1.00 45.49           H  
-ATOM   1899  HA  LEU A 125      28.035  -4.927  -2.504  1.00 51.61           H  
-ATOM   1900  HB3 LEU A 125      30.388  -5.945  -2.348  1.00 49.12           H  
-ATOM   1901  HB2 LEU A 125      30.968  -4.388  -1.834  1.00 49.12           H  
-ATOM   1902  HG  LEU A 125      30.083  -3.418  -4.005  1.00 52.44           H  
-ATOM   1903 HD11 LEU A 125      31.907  -5.132  -5.310  1.00 59.86           H  
-ATOM   1904 HD12 LEU A 125      32.255  -3.598  -4.542  1.00 59.86           H  
-ATOM   1905 HD13 LEU A 125      32.445  -5.091  -3.639  1.00 59.86           H  
-ATOM   1906 HD21 LEU A 125      29.603  -4.983  -5.859  1.00 60.15           H  
-ATOM   1907 HD22 LEU A 125      29.453  -6.296  -4.682  1.00 60.15           H  
-ATOM   1908 HD23 LEU A 125      28.358  -4.913  -4.665  1.00 60.15           H  
-ATOM   1909  N   HIS A 126      29.159  -4.633   0.571  1.00 48.40           N  
-ATOM   1910  CA  HIS A 126      29.002  -5.110   1.937  1.00 45.36           C  
-ATOM   1911  C   HIS A 126      27.536  -5.113   2.403  1.00 47.66           C  
-ATOM   1912  O   HIS A 126      27.101  -6.099   2.988  1.00 48.59           O  
-ATOM   1913  CB  HIS A 126      29.894  -4.268   2.861  1.00 45.41           C  
-ATOM   1914  CG  HIS A 126      30.011  -4.788   4.264  1.00 48.55           C  
-ATOM   1915  ND1 HIS A 126      30.210  -3.960   5.352  1.00 57.36           N  
-ATOM   1916  CE1 HIS A 126      30.265  -4.737   6.431  1.00 53.83           C  
-ATOM   1917  NE2 HIS A 126      30.119  -6.025   6.150  1.00 42.48           N  
-ATOM   1918  CD2 HIS A 126      29.957  -6.065   4.769  1.00 49.49           C  
-ATOM   1919  H   HIS A 126      29.725  -3.803   0.446  1.00 48.40           H  
-ATOM   1920  HA  HIS A 126      29.363  -6.140   1.954  1.00 45.36           H  
-ATOM   1921  HB3 HIS A 126      29.542  -3.238   2.905  1.00 45.41           H  
-ATOM   1922  HB2 HIS A 126      30.902  -4.229   2.453  1.00 45.41           H  
-ATOM   1923  HE1 HIS A 126      30.401  -4.356   7.432  1.00 53.83           H  
-ATOM   1924  HD2 HIS A 126      29.825  -6.999   4.246  1.00 49.49           H  
-ATOM   1925  HD1 HIS A 126      30.264  -2.948   5.346  1.00 57.36           H  
-ATOM   1926  N   GLU A 127      26.802  -4.032   2.104  1.00 42.50           N  
-ATOM   1927  CA  GLU A 127      25.411  -3.850   2.507  1.00 43.74           C  
-ATOM   1928  C   GLU A 127      24.410  -4.686   1.711  1.00 42.29           C  
-ATOM   1929  O   GLU A 127      23.432  -5.133   2.308  1.00 47.24           O  
-ATOM   1930  CB  GLU A 127      25.039  -2.378   2.421  1.00 45.29           C  
-ATOM   1931  CG  GLU A 127      25.788  -1.528   3.456  1.00 46.37           C  
-ATOM   1932  CD  GLU A 127      25.526  -0.032   3.341  1.00 48.12           C  
-ATOM   1933  OE1 GLU A 127      24.874   0.398   2.370  1.00 46.70           O  
-ATOM   1934  OE2 GLU A 127      26.006   0.674   4.247  1.00 46.23           O1-
-ATOM   1935  H   GLU A 127      27.233  -3.254   1.622  1.00 42.50           H  
-ATOM   1936  HA  GLU A 127      25.324  -4.150   3.551  1.00 43.74           H  
-ATOM   1937  HB3 GLU A 127      23.969  -2.265   2.589  1.00 45.29           H  
-ATOM   1938  HB2 GLU A 127      25.249  -2.020   1.411  1.00 45.29           H  
-ATOM   1939  HG3 GLU A 127      26.862  -1.686   3.393  1.00 46.37           H  
-ATOM   1940  HG2 GLU A 127      25.518  -1.863   4.455  1.00 46.37           H  
-ATOM   1941  N   ILE A 128      24.671  -4.924   0.413  1.00 49.38           N  
-ATOM   1942  CA  ILE A 128      23.904  -5.890  -0.377  1.00 47.73           C  
-ATOM   1943  C   ILE A 128      24.015  -7.294   0.244  1.00 50.12           C  
-ATOM   1944  O   ILE A 128      22.985  -7.931   0.449  1.00 54.54           O  
-ATOM   1945  CB  ILE A 128      24.344  -5.970  -1.867  1.00 45.88           C  
-ATOM   1946  CG1 ILE A 128      24.056  -4.663  -2.626  1.00 45.59           C  
-ATOM   1947  CG2 ILE A 128      23.704  -7.145  -2.644  1.00 50.33           C  
-ATOM   1948  CD1 ILE A 128      24.876  -4.512  -3.913  1.00 47.67           C  
-ATOM   1949  H   ILE A 128      25.475  -4.499  -0.032  1.00 49.38           H  
-ATOM   1950  HA  ILE A 128      22.857  -5.585  -0.348  1.00 47.73           H  
-ATOM   1951  HB  ILE A 128      25.425  -6.105  -1.871  1.00 45.88           H  
-ATOM   1952 HG13 ILE A 128      24.257  -3.804  -1.995  1.00 45.59           H  
-ATOM   1953 HG12 ILE A 128      22.994  -4.607  -2.860  1.00 45.59           H  
-ATOM   1954 HG21 ILE A 128      24.006  -7.144  -3.690  1.00 50.33           H  
-ATOM   1955 HG22 ILE A 128      23.979  -8.121  -2.250  1.00 50.33           H  
-ATOM   1956 HG23 ILE A 128      22.616  -7.082  -2.619  1.00 50.33           H  
-ATOM   1957 HD11 ILE A 128      24.950  -3.467  -4.204  1.00 47.67           H  
-ATOM   1958 HD12 ILE A 128      25.891  -4.893  -3.800  1.00 47.67           H  
-ATOM   1959 HD13 ILE A 128      24.407  -5.046  -4.737  1.00 47.67           H  
-ATOM   1960  N   ALA A 129      25.248  -7.706   0.592  1.00 47.91           N  
-ATOM   1961  CA  ALA A 129      25.522  -8.971   1.264  1.00 45.57           C  
-ATOM   1962  C   ALA A 129      24.852  -9.086   2.640  1.00 48.95           C  
-ATOM   1963  O   ALA A 129      24.294 -10.143   2.914  1.00 50.28           O  
-ATOM   1964  CB  ALA A 129      27.033  -9.220   1.348  1.00 44.85           C  
-ATOM   1965  H   ALA A 129      26.046  -7.111   0.411  1.00 47.91           H  
-ATOM   1966  HA  ALA A 129      25.098  -9.757   0.636  1.00 45.57           H  
-ATOM   1967  HB1 ALA A 129      27.256 -10.126   1.911  1.00 44.85           H  
-ATOM   1968  HB2 ALA A 129      27.459  -9.351   0.357  1.00 44.85           H  
-ATOM   1969  HB3 ALA A 129      27.557  -8.393   1.823  1.00 44.85           H  
-ATOM   1970  N   LEU A 130      24.851  -8.005   3.442  1.00 48.92           N  
-ATOM   1971  CA  LEU A 130      24.152  -7.939   4.732  1.00 53.00           C  
-ATOM   1972  C   LEU A 130      22.631  -8.101   4.600  1.00 54.36           C  
-ATOM   1973  O   LEU A 130      22.037  -8.810   5.410  1.00 52.48           O  
-ATOM   1974  CB  LEU A 130      24.460  -6.613   5.459  1.00 48.91           C  
-ATOM   1975  CG  LEU A 130      25.862  -6.515   6.090  1.00 44.20           C  
-ATOM   1976  CD1 LEU A 130      26.179  -5.066   6.508  1.00 46.79           C  
-ATOM   1977  CD2 LEU A 130      26.055  -7.517   7.247  1.00 46.63           C  
-ATOM   1978  H   LEU A 130      25.347  -7.171   3.157  1.00 48.92           H  
-ATOM   1979  HA  LEU A 130      24.506  -8.771   5.339  1.00 53.00           H  
-ATOM   1980  HB3 LEU A 130      23.734  -6.451   6.257  1.00 48.91           H  
-ATOM   1981  HB2 LEU A 130      24.305  -5.793   4.760  1.00 48.91           H  
-ATOM   1982  HG  LEU A 130      26.587  -6.773   5.324  1.00 44.20           H  
-ATOM   1983 HD11 LEU A 130      27.174  -4.778   6.167  1.00 46.79           H  
-ATOM   1984 HD12 LEU A 130      25.483  -4.350   6.075  1.00 46.79           H  
-ATOM   1985 HD13 LEU A 130      26.151  -4.919   7.587  1.00 46.79           H  
-ATOM   1986 HD21 LEU A 130      26.330  -7.031   8.181  1.00 46.63           H  
-ATOM   1987 HD22 LEU A 130      25.154  -8.096   7.450  1.00 46.63           H  
-ATOM   1988 HD23 LEU A 130      26.850  -8.225   7.018  1.00 46.63           H  
-ATOM   1989  N   GLY A 131      22.026  -7.463   3.586  1.00 49.14           N  
-ATOM   1990  CA  GLY A 131      20.589  -7.535   3.342  1.00 54.86           C  
-ATOM   1991  C   GLY A 131      20.181  -8.948   2.911  1.00 52.36           C  
-ATOM   1992  O   GLY A 131      19.239  -9.495   3.480  1.00 49.59           O  
-ATOM   1993  H   GLY A 131      22.576  -6.889   2.960  1.00 49.14           H  
-ATOM   1994  HA3 GLY A 131      20.321  -6.816   2.572  1.00 54.86           H  
-ATOM   1995  HA2 GLY A 131      20.043  -7.248   4.242  1.00 54.86           H  
-ATOM   1996  N   VAL A 132      20.913  -9.552   1.958  1.00 53.31           N  
-ATOM   1997  CA  VAL A 132      20.647 -10.907   1.468  1.00 53.71           C  
-ATOM   1998  C   VAL A 132      20.923 -11.980   2.536  1.00 52.84           C  
-ATOM   1999  O   VAL A 132      20.129 -12.913   2.648  1.00 54.14           O  
-ATOM   2000  CB  VAL A 132      21.461 -11.256   0.193  1.00 53.44           C  
-ATOM   2001  CG1 VAL A 132      21.213 -12.693  -0.309  1.00 60.67           C  
-ATOM   2002  CG2 VAL A 132      21.155 -10.290  -0.959  1.00 47.26           C  
-ATOM   2003  H   VAL A 132      21.686  -9.059   1.529  1.00 53.31           H  
-ATOM   2004  HA  VAL A 132      19.586 -10.961   1.214  1.00 53.71           H  
-ATOM   2005  HB  VAL A 132      22.522 -11.154   0.423  1.00 53.44           H  
-ATOM   2006 HG11 VAL A 132      21.646 -12.839  -1.295  1.00 60.67           H  
-ATOM   2007 HG12 VAL A 132      21.649 -13.444   0.347  1.00 60.67           H  
-ATOM   2008 HG13 VAL A 132      20.146 -12.904  -0.395  1.00 60.67           H  
-ATOM   2009 HG21 VAL A 132      21.851 -10.448  -1.780  1.00 47.26           H  
-ATOM   2010 HG22 VAL A 132      20.142 -10.427  -1.337  1.00 47.26           H  
-ATOM   2011 HG23 VAL A 132      21.251  -9.252  -0.664  1.00 47.26           H  
-ATOM   2012  N   ASN A 133      21.996 -11.808   3.332  1.00 52.85           N  
-ATOM   2013  CA  ASN A 133      22.308 -12.664   4.478  1.00 48.86           C  
-ATOM   2014  C   ASN A 133      21.155 -12.683   5.489  1.00 54.26           C  
-ATOM   2015  O   ASN A 133      20.816 -13.766   5.956  1.00 52.53           O  
-ATOM   2016  CB  ASN A 133      23.627 -12.226   5.152  1.00 52.09           C  
-ATOM   2017  CG  ASN A 133      24.044 -13.115   6.330  1.00 50.69           C  
-ATOM   2018  OD1 ASN A 133      23.943 -12.705   7.483  1.00 56.28           O  
-ATOM   2019  ND2 ASN A 133      24.512 -14.329   6.047  1.00 52.03           N  
-ATOM   2020  H   ASN A 133      22.620 -11.025   3.175  1.00 52.85           H  
-ATOM   2021  HA  ASN A 133      22.437 -13.676   4.089  1.00 48.86           H  
-ATOM   2022  HB3 ASN A 133      23.542 -11.199   5.505  1.00 52.09           H  
-ATOM   2023  HB2 ASN A 133      24.441 -12.220   4.435  1.00 52.09           H  
-ATOM   2024 HD22 ASN A 133      24.829 -14.930   6.793  1.00 52.03           H  
-ATOM   2025 HD21 ASN A 133      24.582 -14.650   5.093  1.00 52.03           H  
-ATOM   2026  N   TYR A 134      20.553 -11.510   5.762  1.00 52.65           N  
-ATOM   2027  CA  TYR A 134      19.392 -11.405   6.640  1.00 53.25           C  
-ATOM   2028  C   TYR A 134      18.206 -12.229   6.131  1.00 59.61           C  
-ATOM   2029  O   TYR A 134      17.629 -12.960   6.930  1.00 55.46           O  
-ATOM   2030  CB  TYR A 134      18.973  -9.945   6.882  1.00 50.47           C  
-ATOM   2031  CG  TYR A 134      17.916  -9.830   7.965  1.00 45.56           C  
-ATOM   2032  CD1 TYR A 134      18.319  -9.845   9.313  1.00 47.90           C  
-ATOM   2033  CE1 TYR A 134      17.361  -9.811  10.338  1.00 49.37           C  
-ATOM   2034  CZ  TYR A 134      15.993  -9.772  10.021  1.00 50.68           C  
-ATOM   2035  OH  TYR A 134      15.085  -9.760  11.035  1.00 56.81           O  
-ATOM   2036  CE2 TYR A 134      15.579  -9.753   8.675  1.00 52.38           C  
-ATOM   2037  CD2 TYR A 134      16.541  -9.778   7.646  1.00 49.03           C  
-ATOM   2038  H   TYR A 134      20.877 -10.657   5.328  1.00 52.65           H  
-ATOM   2039  HA  TYR A 134      19.694 -11.823   7.601  1.00 53.25           H  
-ATOM   2040  HB3 TYR A 134      18.609  -9.475   5.970  1.00 50.47           H  
-ATOM   2041  HB2 TYR A 134      19.843  -9.369   7.194  1.00 50.47           H  
-ATOM   2042  HD1 TYR A 134      19.369  -9.894   9.564  1.00 47.90           H  
-ATOM   2043  HE1 TYR A 134      17.678  -9.827  11.370  1.00 49.37           H  
-ATOM   2044  HH  TYR A 134      14.184  -9.563  10.747  1.00 56.81           H  
-ATOM   2045  HE2 TYR A 134      14.528  -9.724   8.425  1.00 52.38           H  
-ATOM   2046  HD2 TYR A 134      16.221  -9.777   6.615  1.00 49.03           H  
-ATOM   2047  N   LEU A 135      17.901 -12.131   4.824  1.00 53.85           N  
-ATOM   2048  CA  LEU A 135      16.848 -12.915   4.177  1.00 63.82           C  
-ATOM   2049  C   LEU A 135      17.070 -14.428   4.338  1.00 63.96           C  
-ATOM   2050  O   LEU A 135      16.159 -15.114   4.797  1.00 64.41           O  
-ATOM   2051  CB  LEU A 135      16.696 -12.538   2.685  1.00 54.78           C  
-ATOM   2052  CG  LEU A 135      16.295 -11.081   2.386  1.00 59.18           C  
-ATOM   2053  CD1 LEU A 135      16.155 -10.859   0.870  1.00 52.89           C  
-ATOM   2054  CD2 LEU A 135      15.032 -10.633   3.140  1.00 58.62           C  
-ATOM   2055  H   LEU A 135      18.434 -11.512   4.229  1.00 53.85           H  
-ATOM   2056  HA  LEU A 135      15.919 -12.683   4.697  1.00 63.82           H  
-ATOM   2057  HB3 LEU A 135      15.921 -13.168   2.254  1.00 54.78           H  
-ATOM   2058  HB2 LEU A 135      17.609 -12.783   2.144  1.00 54.78           H  
-ATOM   2059  HG  LEU A 135      17.111 -10.447   2.718  1.00 59.18           H  
-ATOM   2060 HD11 LEU A 135      16.450  -9.845   0.597  1.00 52.89           H  
-ATOM   2061 HD12 LEU A 135      16.783 -11.543   0.300  1.00 52.89           H  
-ATOM   2062 HD13 LEU A 135      15.130 -11.008   0.532  1.00 52.89           H  
-ATOM   2063 HD21 LEU A 135      14.367 -10.050   2.506  1.00 58.62           H  
-ATOM   2064 HD22 LEU A 135      14.455 -11.475   3.517  1.00 58.62           H  
-ATOM   2065 HD23 LEU A 135      15.291 -10.003   3.991  1.00 58.62           H  
-ATOM   2066  N   HIS A 136      18.287 -14.905   4.027  1.00 59.10           N  
-ATOM   2067  CA  HIS A 136      18.692 -16.310   4.153  1.00 59.13           C  
-ATOM   2068  C   HIS A 136      18.677 -16.851   5.596  1.00 61.17           C  
-ATOM   2069  O   HIS A 136      18.576 -18.064   5.759  1.00 74.01           O  
-ATOM   2070  CB  HIS A 136      20.085 -16.516   3.521  1.00 48.20           C  
-ATOM   2071  CG  HIS A 136      20.160 -16.366   2.024  1.00 44.73           C  
-ATOM   2072  ND1 HIS A 136      21.304 -16.726   1.306  1.00 50.55           N  
-ATOM   2073  CE1 HIS A 136      21.009 -16.464   0.044  1.00 54.05           C  
-ATOM   2074  NE2 HIS A 136      19.787 -15.968  -0.109  1.00 46.68           N  
-ATOM   2075  CD2 HIS A 136      19.217 -15.892   1.140  1.00 53.23           C  
-ATOM   2076  H   HIS A 136      18.990 -14.266   3.679  1.00 59.10           H  
-ATOM   2077  HA  HIS A 136      17.971 -16.913   3.597  1.00 59.13           H  
-ATOM   2078  HB3 HIS A 136      20.458 -17.514   3.754  1.00 48.20           H  
-ATOM   2079  HB2 HIS A 136      20.797 -15.818   3.963  1.00 48.20           H  
-ATOM   2080  HE1 HIS A 136      21.688 -16.625  -0.772  1.00 54.05           H  
-ATOM   2081  HD2 HIS A 136      18.225 -15.502   1.292  1.00 53.23           H  
-ATOM   2082  HE2 HIS A 136      19.362 -15.671  -0.981  1.00 46.68           H  
-ATOM   2083  N   ASN A 137      18.762 -15.961   6.601  1.00 61.41           N  
-ATOM   2084  CA  ASN A 137      18.710 -16.282   8.033  1.00 55.14           C  
-ATOM   2085  C   ASN A 137      17.314 -16.125   8.641  1.00 52.38           C  
-ATOM   2086  O   ASN A 137      17.180 -16.396   9.834  1.00 64.38           O  
-ATOM   2087  CB  ASN A 137      19.701 -15.378   8.798  1.00 57.65           C  
-ATOM   2088  CG  ASN A 137      21.112 -15.950   8.810  1.00 54.47           C  
-ATOM   2089  OD1 ASN A 137      21.480 -16.673   9.730  1.00 63.89           O  
-ATOM   2090  ND2 ASN A 137      21.909 -15.625   7.796  1.00 59.76           N  
-ATOM   2091  H   ASN A 137      18.846 -14.980   6.374  1.00 61.41           H  
-ATOM   2092  HA  ASN A 137      19.026 -17.322   8.135  1.00 55.14           H  
-ATOM   2093  HB3 ASN A 137      19.431 -15.294   9.851  1.00 57.65           H  
-ATOM   2094  HB2 ASN A 137      19.691 -14.356   8.418  1.00 57.65           H  
-ATOM   2095 HD22 ASN A 137      22.857 -15.968   7.770  1.00 59.76           H  
-ATOM   2096 HD21 ASN A 137      21.575 -15.013   7.062  1.00 59.76           H  
-ATOM   2097  N   MET A 138      16.294 -15.712   7.868  1.00 61.13           N  
-ATOM   2098  CA  MET A 138      14.907 -15.728   8.345  1.00 67.20           C  
-ATOM   2099  C   MET A 138      14.431 -17.166   8.587  1.00 76.24           C  
-ATOM   2100  O   MET A 138      15.096 -18.113   8.161  1.00 68.41           O  
-ATOM   2101  CB  MET A 138      13.985 -14.991   7.362  1.00 69.70           C  
-ATOM   2102  CG  MET A 138      14.165 -13.471   7.420  1.00 69.32           C  
-ATOM   2103  SD  MET A 138      13.249 -12.577   6.149  1.00 71.01           S  
-ATOM   2104  CE  MET A 138      11.574 -12.731   6.813  1.00 82.29           C  
-ATOM   2105  H   MET A 138      16.445 -15.494   6.893  1.00 61.13           H  
-ATOM   2106  HA  MET A 138      14.864 -15.213   9.306  1.00 67.20           H  
-ATOM   2107  HB3 MET A 138      12.943 -15.211   7.597  1.00 69.70           H  
-ATOM   2108  HB2 MET A 138      14.134 -15.358   6.347  1.00 69.70           H  
-ATOM   2109  HG3 MET A 138      15.211 -13.217   7.291  1.00 69.32           H  
-ATOM   2110  HG2 MET A 138      13.877 -13.089   8.399  1.00 69.32           H  
-ATOM   2111  HE1 MET A 138      10.876 -12.142   6.219  1.00 82.29           H  
-ATOM   2112  HE2 MET A 138      11.244 -13.769   6.797  1.00 82.29           H  
-ATOM   2113  HE3 MET A 138      11.548 -12.372   7.840  1.00 82.29           H  
-ATOM   2114  N   THR A 139      13.293 -17.300   9.279  1.00 97.04           N  
-ATOM   2115  CA  THR A 139      12.740 -18.595   9.650  1.00 99.57           C  
-ATOM   2116  C   THR A 139      11.290 -18.708   9.103  1.00 87.78           C  
-ATOM   2117  O   THR A 139      10.388 -18.066   9.643  1.00 96.34           O  
-ATOM   2118  CB  THR A 139      12.860 -18.802  11.184  1.00106.56           C  
-ATOM   2119  OG1 THR A 139      12.524 -20.135  11.505  1.00110.40           O  
-ATOM   2120  CG2 THR A 139      12.029 -17.871  12.086  1.00108.75           C  
-ATOM   2121  H   THR A 139      12.795 -16.485   9.604  1.00 97.04           H  
-ATOM   2122  HA  THR A 139      13.354 -19.391   9.239  1.00 99.57           H  
-ATOM   2123  HB  THR A 139      13.910 -18.674  11.452  1.00106.56           H  
-ATOM   2124  HG1 THR A 139      11.573 -20.243  11.423  1.00110.40           H  
-ATOM   2125 HG21 THR A 139      12.341 -17.977  13.125  1.00108.75           H  
-ATOM   2126 HG22 THR A 139      12.169 -16.825  11.815  1.00108.75           H  
-ATOM   2127 HG23 THR A 139      10.964 -18.092  12.057  1.00108.75           H  
-ATOM   2128  N   PRO A 140      11.078 -19.451   7.987  1.00 85.12           N  
-ATOM   2129  CA  PRO A 140      12.094 -20.165   7.188  1.00 92.19           C  
-ATOM   2130  C   PRO A 140      12.934 -19.192   6.333  1.00 85.58           C  
-ATOM   2131  O   PRO A 140      12.519 -18.040   6.174  1.00 73.71           O  
-ATOM   2132  CB  PRO A 140      11.241 -21.073   6.293  1.00 79.01           C  
-ATOM   2133  CG  PRO A 140       9.995 -20.253   6.020  1.00 79.37           C  
-ATOM   2134  CD  PRO A 140       9.760 -19.551   7.352  1.00 90.03           C  
-ATOM   2135  HA  PRO A 140      12.718 -20.794   7.819  1.00 92.19           H  
-ATOM   2136  HB3 PRO A 140      10.975 -21.977   6.840  1.00 79.01           H  
-ATOM   2137  HB2 PRO A 140      11.733 -21.385   5.372  1.00 79.01           H  
-ATOM   2138  HG3 PRO A 140       9.145 -20.852   5.690  1.00 79.37           H  
-ATOM   2139  HG2 PRO A 140      10.205 -19.515   5.244  1.00 79.37           H  
-ATOM   2140  HD2 PRO A 140       9.284 -18.583   7.205  1.00 90.03           H  
-ATOM   2141  HD3 PRO A 140       9.113 -20.155   7.990  1.00 90.03           H  
-ATOM   2142  N   PRO A 141      14.075 -19.667   5.775  1.00 75.71           N  
-ATOM   2143  CA  PRO A 141      14.885 -18.890   4.818  1.00 73.31           C  
-ATOM   2144  C   PRO A 141      14.055 -18.300   3.676  1.00 73.44           C  
-ATOM   2145  O   PRO A 141      13.210 -19.003   3.121  1.00 81.23           O  
-ATOM   2146  CB  PRO A 141      15.896 -19.910   4.271  1.00 72.87           C  
-ATOM   2147  CG  PRO A 141      16.041 -20.937   5.374  1.00 80.36           C  
-ATOM   2148  CD  PRO A 141      14.653 -20.993   5.999  1.00 80.00           C  
-ATOM   2149  HA  PRO A 141      15.404 -18.105   5.373  1.00 73.31           H  
-ATOM   2150  HB3 PRO A 141      16.850 -19.451   4.010  1.00 72.87           H  
-ATOM   2151  HB2 PRO A 141      15.517 -20.404   3.375  1.00 72.87           H  
-ATOM   2152  HG3 PRO A 141      16.751 -20.565   6.113  1.00 80.36           H  
-ATOM   2153  HG2 PRO A 141      16.399 -21.905   5.023  1.00 80.36           H  
-ATOM   2154  HD2 PRO A 141      14.043 -21.742   5.495  1.00 80.00           H  
-ATOM   2155  HD3 PRO A 141      14.726 -21.256   7.053  1.00 80.00           H  
-ATOM   2156  N   LEU A 142      14.296 -17.021   3.380  1.00 66.20           N  
-ATOM   2157  CA  LEU A 142      13.678 -16.327   2.263  1.00 64.54           C  
-ATOM   2158  C   LEU A 142      14.764 -16.089   1.216  1.00 65.91           C  
-ATOM   2159  O   LEU A 142      15.826 -15.571   1.550  1.00 67.05           O  
-ATOM   2160  CB  LEU A 142      13.025 -15.033   2.786  1.00 72.25           C  
-ATOM   2161  CG  LEU A 142      12.348 -14.145   1.723  1.00 79.24           C  
-ATOM   2162  CD1 LEU A 142      11.334 -14.897   0.837  1.00 99.83           C  
-ATOM   2163  CD2 LEU A 142      11.680 -12.949   2.407  1.00 91.81           C  
-ATOM   2164  H   LEU A 142      14.993 -16.500   3.896  1.00 66.20           H  
-ATOM   2165  HA  LEU A 142      12.904 -16.950   1.815  1.00 64.54           H  
-ATOM   2166  HB3 LEU A 142      13.772 -14.437   3.314  1.00 72.25           H  
-ATOM   2167  HB2 LEU A 142      12.284 -15.308   3.538  1.00 72.25           H  
-ATOM   2168  HG  LEU A 142      13.122 -13.742   1.068  1.00 79.24           H  
-ATOM   2169 HD11 LEU A 142      10.405 -14.340   0.715  1.00 99.83           H  
-ATOM   2170 HD12 LEU A 142      11.740 -15.061  -0.161  1.00 99.83           H  
-ATOM   2171 HD13 LEU A 142      11.058 -15.867   1.248  1.00 99.83           H  
-ATOM   2172 HD21 LEU A 142      11.133 -12.356   1.679  1.00 91.81           H  
-ATOM   2173 HD22 LEU A 142      10.982 -13.265   3.182  1.00 91.81           H  
-ATOM   2174 HD23 LEU A 142      12.416 -12.296   2.871  1.00 91.81           H  
-ATOM   2175  N   LEU A 143      14.484 -16.503  -0.023  1.00 61.97           N  
-ATOM   2176  CA  LEU A 143      15.410 -16.387  -1.143  1.00 63.44           C  
-ATOM   2177  C   LEU A 143      14.868 -15.292  -2.064  1.00 63.70           C  
-ATOM   2178  O   LEU A 143      13.671 -15.280  -2.354  1.00 69.79           O  
-ATOM   2179  CB  LEU A 143      15.531 -17.745  -1.871  1.00 65.06           C  
-ATOM   2180  CG  LEU A 143      15.700 -18.989  -0.963  1.00 72.11           C  
-ATOM   2181  CD1 LEU A 143      15.834 -20.266  -1.806  1.00 79.33           C  
-ATOM   2182  CD2 LEU A 143      16.846 -18.877   0.060  1.00 72.51           C  
-ATOM   2183  H   LEU A 143      13.584 -16.912  -0.230  1.00 61.97           H  
-ATOM   2184  HA  LEU A 143      16.403 -16.089  -0.800  1.00 63.44           H  
-ATOM   2185  HB3 LEU A 143      16.375 -17.686  -2.559  1.00 65.06           H  
-ATOM   2186  HB2 LEU A 143      14.650 -17.902  -2.494  1.00 65.06           H  
-ATOM   2187  HG  LEU A 143      14.775 -19.105  -0.397  1.00 72.11           H  
-ATOM   2188 HD11 LEU A 143      15.616 -21.151  -1.210  1.00 79.33           H  
-ATOM   2189 HD12 LEU A 143      15.139 -20.268  -2.644  1.00 79.33           H  
-ATOM   2190 HD13 LEU A 143      16.840 -20.375  -2.211  1.00 79.33           H  
-ATOM   2191 HD21 LEU A 143      17.526 -19.727   0.009  1.00 72.51           H  
-ATOM   2192 HD22 LEU A 143      17.451 -17.985  -0.092  1.00 72.51           H  
-ATOM   2193 HD23 LEU A 143      16.456 -18.838   1.077  1.00 72.51           H  
-ATOM   2194  N   HIS A 144      15.750 -14.376  -2.484  1.00 70.34           N  
-ATOM   2195  CA  HIS A 144      15.410 -13.233  -3.323  1.00 75.87           C  
-ATOM   2196  C   HIS A 144      15.013 -13.676  -4.742  1.00 70.68           C  
-ATOM   2197  O   HIS A 144      13.908 -13.363  -5.181  1.00 72.91           O  
-ATOM   2198  CB  HIS A 144      16.581 -12.225  -3.286  1.00 66.42           C  
-ATOM   2199  CG  HIS A 144      16.315 -10.872  -3.892  1.00 73.70           C  
-ATOM   2200  ND1 HIS A 144      15.773 -10.701  -5.164  1.00 72.75           N  
-ATOM   2201  CE1 HIS A 144      15.692  -9.391  -5.338  1.00 77.72           C  
-ATOM   2202  NE2 HIS A 144      16.156  -8.704  -4.300  1.00 84.05           N  
-ATOM   2203  CD2 HIS A 144      16.558  -9.629  -3.353  1.00 79.17           C  
-ATOM   2204  H   HIS A 144      16.730 -14.478  -2.247  1.00 70.34           H  
-ATOM   2205  HA  HIS A 144      14.539 -12.763  -2.868  1.00 75.87           H  
-ATOM   2206  HB3 HIS A 144      17.457 -12.628  -3.787  1.00 66.42           H  
-ATOM   2207  HB2 HIS A 144      16.880 -12.063  -2.251  1.00 66.42           H  
-ATOM   2208  HE1 HIS A 144      15.292  -8.924  -6.224  1.00 77.72           H  
-ATOM   2209  HD2 HIS A 144      16.972  -9.351  -2.400  1.00 79.17           H  
-ATOM   2210  HE2 HIS A 144      16.181  -7.697  -4.218  1.00 84.05           H  
-ATOM   2211  N   HIS A 145      15.926 -14.393  -5.414  1.00 71.42           N  
-ATOM   2212  CA  HIS A 145      15.837 -14.961  -6.764  1.00 79.51           C  
-ATOM   2213  C   HIS A 145      15.745 -13.968  -7.927  1.00 72.38           C  
-ATOM   2214  O   HIS A 145      15.704 -14.422  -9.069  1.00 82.23           O  
-ATOM   2215  CB  HIS A 145      14.740 -16.040  -6.869  1.00 75.69           C  
-ATOM   2216  CG  HIS A 145      15.038 -17.338  -6.180  1.00 85.83           C  
-ATOM   2217  ND1 HIS A 145      16.291 -17.706  -5.723  1.00 94.30           N  
-ATOM   2218  CE1 HIS A 145      16.152 -18.894  -5.144  1.00 99.89           C  
-ATOM   2219  NE2 HIS A 145      14.912 -19.359  -5.190  1.00 95.10           N  
-ATOM   2220  CD2 HIS A 145      14.199 -18.378  -5.865  1.00 95.56           C  
-ATOM   2221  H   HIS A 145      16.813 -14.567  -4.955  1.00 71.42           H  
-ATOM   2222  HA  HIS A 145      16.799 -15.444  -6.938  1.00 79.51           H  
-ATOM   2223  HB3 HIS A 145      14.551 -16.306  -7.908  1.00 75.69           H  
-ATOM   2224  HB2 HIS A 145      13.790 -15.663  -6.490  1.00 75.69           H  
-ATOM   2225  HD1 HIS A 145      17.138 -17.159  -5.781  1.00 94.30           H  
-ATOM   2226  HE1 HIS A 145      16.958 -19.404  -4.646  1.00 99.89           H  
-ATOM   2227  HD2 HIS A 145      13.140 -18.485  -6.048  1.00 95.56           H  
-ATOM   2228  N   ASP A 146      15.777 -12.655  -7.662  1.00 75.85           N  
-ATOM   2229  CA  ASP A 146      15.865 -11.653  -8.716  1.00 68.16           C  
-ATOM   2230  C   ASP A 146      16.756 -10.485  -8.272  1.00 70.69           C  
-ATOM   2231  O   ASP A 146      16.412  -9.334  -8.529  1.00 58.92           O  
-ATOM   2232  CB  ASP A 146      14.469 -11.222  -9.249  1.00 68.24           C  
-ATOM   2233  CG  ASP A 146      14.463 -10.476 -10.599  1.00 77.14           C  
-ATOM   2234  OD1 ASP A 146      15.441 -10.605 -11.370  1.00 79.25           O  
-ATOM   2235  OD2 ASP A 146      13.421  -9.850 -10.891  1.00 85.66           O1-
-ATOM   2236  H   ASP A 146      15.807 -12.319  -6.709  1.00 75.85           H  
-ATOM   2237  HA  ASP A 146      16.431 -12.099  -9.536  1.00 68.16           H  
-ATOM   2238  HB3 ASP A 146      13.962 -10.620  -8.493  1.00 68.24           H  
-ATOM   2239  HB2 ASP A 146      13.843 -12.107  -9.364  1.00 68.24           H  
-ATOM   2240  N   LEU A 147      17.896 -10.782  -7.621  1.00 64.69           N  
-ATOM   2241  CA  LEU A 147      18.927  -9.784  -7.321  1.00 64.38           C  
-ATOM   2242  C   LEU A 147      19.473  -9.206  -8.633  1.00 62.83           C  
-ATOM   2243  O   LEU A 147      19.863  -9.970  -9.515  1.00 66.07           O  
-ATOM   2244  CB  LEU A 147      20.111 -10.402  -6.531  1.00 68.49           C  
-ATOM   2245  CG  LEU A 147      20.340  -9.914  -5.091  1.00 71.79           C  
-ATOM   2246  CD1 LEU A 147      21.726 -10.400  -4.607  1.00 75.91           C  
-ATOM   2247  CD2 LEU A 147      20.197  -8.391  -4.936  1.00 71.69           C  
-ATOM   2248  H   LEU A 147      18.135 -11.750  -7.441  1.00 64.69           H  
-ATOM   2249  HA  LEU A 147      18.445  -8.990  -6.751  1.00 64.38           H  
-ATOM   2250  HB3 LEU A 147      21.038 -10.191  -7.063  1.00 68.49           H  
-ATOM   2251  HB2 LEU A 147      20.049 -11.485  -6.519  1.00 68.49           H  
-ATOM   2252  HG  LEU A 147      19.580 -10.374  -4.458  1.00 71.79           H  
-ATOM   2253 HD11 LEU A 147      22.320  -9.616  -4.139  1.00 75.91           H  
-ATOM   2254 HD12 LEU A 147      21.608 -11.201  -3.879  1.00 75.91           H  
-ATOM   2255 HD13 LEU A 147      22.339 -10.814  -5.408  1.00 75.91           H  
-ATOM   2256 HD21 LEU A 147      20.827  -8.010  -4.136  1.00 71.69           H  
-ATOM   2257 HD22 LEU A 147      20.461  -7.862  -5.851  1.00 71.69           H  
-ATOM   2258 HD23 LEU A 147      19.173  -8.122  -4.674  1.00 71.69           H  
-ATOM   2259  N   LYS A 148      19.515  -7.875  -8.715  1.00 66.70           N  
-ATOM   2260  CA  LYS A 148      20.039  -7.145  -9.861  1.00 66.66           C  
-ATOM   2261  C   LYS A 148      20.291  -5.698  -9.452  1.00 64.15           C  
-ATOM   2262  O   LYS A 148      19.644  -5.219  -8.523  1.00 58.87           O  
-ATOM   2263  CB  LYS A 148      19.073  -7.269 -11.056  1.00 77.19           C  
-ATOM   2264  CG  LYS A 148      17.624  -6.829 -10.831  1.00 83.04           C  
-ATOM   2265  CD  LYS A 148      16.820  -6.915 -12.132  1.00 85.18           C  
-ATOM   2266  CE  LYS A 148      15.311  -6.830 -11.905  1.00 89.54           C  
-ATOM   2267  NZ  LYS A 148      14.576  -6.854 -13.177  1.00 94.46           N1+
-ATOM   2268  H   LYS A 148      19.160  -7.305  -7.959  1.00 66.70           H  
-ATOM   2269  HA  LYS A 148      21.002  -7.580 -10.137  1.00 66.66           H  
-ATOM   2270  HB3 LYS A 148      19.050  -8.304 -11.392  1.00 77.19           H  
-ATOM   2271  HB2 LYS A 148      19.477  -6.694 -11.879  1.00 77.19           H  
-ATOM   2272  HG3 LYS A 148      17.579  -5.816 -10.433  1.00 83.04           H  
-ATOM   2273  HG2 LYS A 148      17.174  -7.482 -10.090  1.00 83.04           H  
-ATOM   2274  HD3 LYS A 148      17.053  -7.854 -12.637  1.00 85.18           H  
-ATOM   2275  HD2 LYS A 148      17.135  -6.121 -12.806  1.00 85.18           H  
-ATOM   2276  HE3 LYS A 148      15.065  -5.907 -11.380  1.00 89.54           H  
-ATOM   2277  HE2 LYS A 148      14.976  -7.652 -11.277  1.00 89.54           H  
-ATOM   2278  HZ1 LYS A 148      14.785  -7.719 -13.660  1.00 94.46           H  
-ATOM   2279  HZ2 LYS A 148      13.584  -6.809 -12.991  1.00 94.46           H  
-ATOM   2280  HZ3 LYS A 148      14.855  -6.071 -13.749  1.00 94.46           H  
-ATOM   2281  N   THR A 149      21.201  -5.002 -10.152  1.00 62.17           N  
-ATOM   2282  CA  THR A 149      21.557  -3.612  -9.832  1.00 65.27           C  
-ATOM   2283  C   THR A 149      20.373  -2.616  -9.910  1.00 68.19           C  
-ATOM   2284  O   THR A 149      20.440  -1.571  -9.268  1.00 68.88           O  
-ATOM   2285  CB  THR A 149      22.724  -3.096 -10.712  1.00 61.37           C  
-ATOM   2286  OG1 THR A 149      22.374  -3.013 -12.080  1.00 59.95           O  
-ATOM   2287  CG2 THR A 149      24.001  -3.928 -10.559  1.00 59.61           C  
-ATOM   2288  H   THR A 149      21.683  -5.421 -10.935  1.00 62.17           H  
-ATOM   2289  HA  THR A 149      21.902  -3.602  -8.797  1.00 65.27           H  
-ATOM   2290  HB  THR A 149      22.970  -2.084 -10.392  1.00 61.37           H  
-ATOM   2291  HG1 THR A 149      23.182  -3.084 -12.601  1.00 59.95           H  
-ATOM   2292 HG21 THR A 149      24.850  -3.440 -11.035  1.00 59.61           H  
-ATOM   2293 HG22 THR A 149      24.253  -4.053  -9.508  1.00 59.61           H  
-ATOM   2294 HG23 THR A 149      23.897  -4.922 -10.993  1.00 59.61           H  
-ATOM   2295  N   GLN A 150      19.296  -2.976 -10.627  1.00 66.57           N  
-ATOM   2296  CA  GLN A 150      18.063  -2.201 -10.765  1.00 62.98           C  
-ATOM   2297  C   GLN A 150      17.189  -2.140  -9.502  1.00 59.47           C  
-ATOM   2298  O   GLN A 150      16.417  -1.191  -9.385  1.00 60.81           O  
-ATOM   2299  CB  GLN A 150      17.211  -2.748 -11.930  1.00 56.54           C  
-ATOM   2300  CG  GLN A 150      17.819  -2.546 -13.331  1.00 58.26           C  
-ATOM   2301  CD  GLN A 150      18.858  -3.595 -13.737  1.00 62.43           C  
-ATOM   2302  OE1 GLN A 150      19.139  -4.541 -13.012  1.00 48.81           O  
-ATOM   2303  NE2 GLN A 150      19.432  -3.437 -14.926  1.00 62.65           N  
-ATOM   2304  H   GLN A 150      19.325  -3.844 -11.145  1.00 66.57           H  
-ATOM   2305  HA  GLN A 150      18.346  -1.176 -11.005  1.00 62.98           H  
-ATOM   2306  HB3 GLN A 150      16.251  -2.229 -11.929  1.00 56.54           H  
-ATOM   2307  HB2 GLN A 150      16.961  -3.797 -11.764  1.00 56.54           H  
-ATOM   2308  HG3 GLN A 150      18.253  -1.550 -13.416  1.00 58.26           H  
-ATOM   2309  HG2 GLN A 150      17.015  -2.595 -14.065  1.00 58.26           H  
-ATOM   2310 HE22 GLN A 150      20.127  -4.098 -15.241  1.00 62.65           H  
-ATOM   2311 HE21 GLN A 150      19.193  -2.650 -15.511  1.00 62.65           H  
-ATOM   2312  N   ASN A 151      17.289  -3.139  -8.610  1.00 60.86           N  
-ATOM   2313  CA  ASN A 151      16.493  -3.216  -7.376  1.00 54.16           C  
-ATOM   2314  C   ASN A 151      17.345  -3.120  -6.101  1.00 51.48           C  
-ATOM   2315  O   ASN A 151      16.798  -3.284  -5.010  1.00 53.33           O  
-ATOM   2316  CB  ASN A 151      15.535  -4.428  -7.410  1.00 61.05           C  
-ATOM   2317  CG  ASN A 151      16.179  -5.804  -7.596  1.00 72.82           C  
-ATOM   2318  OD1 ASN A 151      17.298  -6.067  -7.159  1.00 84.59           O  
-ATOM   2319  ND2 ASN A 151      15.438  -6.704  -8.237  1.00 64.55           N  
-ATOM   2320  H   ASN A 151      17.946  -3.892  -8.766  1.00 60.86           H  
-ATOM   2321  HA  ASN A 151      15.844  -2.342  -7.318  1.00 54.16           H  
-ATOM   2322  HB3 ASN A 151      14.838  -4.275  -8.235  1.00 61.05           H  
-ATOM   2323  HB2 ASN A 151      14.917  -4.445  -6.514  1.00 61.05           H  
-ATOM   2324 HD22 ASN A 151      15.790  -7.645  -8.380  1.00 64.55           H  
-ATOM   2325 HD21 ASN A 151      14.508  -6.473  -8.555  1.00 64.55           H  
-ATOM   2326  N   ILE A 152      18.640  -2.791  -6.246  1.00 49.34           N  
-ATOM   2327  CA  ILE A 152      19.479  -2.326  -5.145  1.00 49.10           C  
-ATOM   2328  C   ILE A 152      19.277  -0.809  -5.067  1.00 48.37           C  
-ATOM   2329  O   ILE A 152      19.908  -0.086  -5.832  1.00 51.53           O  
-ATOM   2330  CB  ILE A 152      20.994  -2.600  -5.397  1.00 49.65           C  
-ATOM   2331  CG1 ILE A 152      21.304  -4.073  -5.706  1.00 62.77           C  
-ATOM   2332  CG2 ILE A 152      21.889  -2.103  -4.244  1.00 53.58           C  
-ATOM   2333  CD1 ILE A 152      20.699  -5.074  -4.723  1.00 60.01           C  
-ATOM   2334  H   ILE A 152      19.023  -2.681  -7.173  1.00 49.34           H  
-ATOM   2335  HA  ILE A 152      19.173  -2.777  -4.199  1.00 49.10           H  
-ATOM   2336  HB  ILE A 152      21.299  -2.063  -6.292  1.00 49.65           H  
-ATOM   2337 HG13 ILE A 152      22.380  -4.224  -5.776  1.00 62.77           H  
-ATOM   2338 HG12 ILE A 152      20.929  -4.300  -6.697  1.00 62.77           H  
-ATOM   2339 HG21 ILE A 152      22.942  -2.242  -4.483  1.00 53.58           H  
-ATOM   2340 HG22 ILE A 152      21.761  -1.044  -4.028  1.00 53.58           H  
-ATOM   2341 HG23 ILE A 152      21.689  -2.657  -3.333  1.00 53.58           H  
-ATOM   2342 HD11 ILE A 152      21.395  -5.895  -4.566  1.00 60.01           H  
-ATOM   2343 HD12 ILE A 152      20.506  -4.632  -3.749  1.00 60.01           H  
-ATOM   2344 HD13 ILE A 152      19.760  -5.483  -5.099  1.00 60.01           H  
-ATOM   2345  N   LEU A 153      18.368  -0.349  -4.195  1.00 53.06           N  
-ATOM   2346  CA  LEU A 153      18.055   1.075  -4.072  1.00 55.60           C  
-ATOM   2347  C   LEU A 153      19.060   1.782  -3.160  1.00 55.48           C  
-ATOM   2348  O   LEU A 153      19.691   1.132  -2.333  1.00 58.33           O  
-ATOM   2349  CB  LEU A 153      16.613   1.283  -3.584  1.00 60.36           C  
-ATOM   2350  CG  LEU A 153      15.540   0.570  -4.428  1.00 62.86           C  
-ATOM   2351  CD1 LEU A 153      14.143   0.842  -3.856  1.00 57.90           C  
-ATOM   2352  CD2 LEU A 153      15.600   0.940  -5.917  1.00 60.84           C  
-ATOM   2353  H   LEU A 153      17.875  -0.978  -3.577  1.00 53.06           H  
-ATOM   2354  HA  LEU A 153      18.129   1.523  -5.056  1.00 55.60           H  
-ATOM   2355  HB3 LEU A 153      16.404   2.353  -3.598  1.00 60.36           H  
-ATOM   2356  HB2 LEU A 153      16.524   0.975  -2.543  1.00 60.36           H  
-ATOM   2357  HG  LEU A 153      15.700  -0.506  -4.346  1.00 62.86           H  
-ATOM   2358 HD11 LEU A 153      13.431   0.082  -4.175  1.00 57.90           H  
-ATOM   2359 HD12 LEU A 153      14.145   0.850  -2.766  1.00 57.90           H  
-ATOM   2360 HD13 LEU A 153      13.769   1.808  -4.190  1.00 57.90           H  
-ATOM   2361 HD21 LEU A 153      14.613   0.857  -6.367  1.00 60.84           H  
-ATOM   2362 HD22 LEU A 153      15.956   1.957  -6.077  1.00 60.84           H  
-ATOM   2363 HD23 LEU A 153      16.258   0.263  -6.463  1.00 60.84           H  
-ATOM   2364  N   LEU A 154      19.200   3.098  -3.349  1.00 52.64           N  
-ATOM   2365  CA  LEU A 154      20.184   3.918  -2.657  1.00 53.97           C  
-ATOM   2366  C   LEU A 154      19.455   5.063  -1.964  1.00 55.96           C  
-ATOM   2367  O   LEU A 154      18.797   5.860  -2.633  1.00 56.53           O  
-ATOM   2368  CB  LEU A 154      21.221   4.428  -3.677  1.00 51.60           C  
-ATOM   2369  CG  LEU A 154      22.086   3.310  -4.300  1.00 51.90           C  
-ATOM   2370  CD1 LEU A 154      22.931   3.862  -5.460  1.00 51.35           C  
-ATOM   2371  CD2 LEU A 154      22.945   2.577  -3.246  1.00 52.02           C  
-ATOM   2372  H   LEU A 154      18.648   3.565  -4.057  1.00 52.64           H  
-ATOM   2373  HA  LEU A 154      20.698   3.342  -1.892  1.00 53.97           H  
-ATOM   2374  HB3 LEU A 154      21.874   5.163  -3.208  1.00 51.60           H  
-ATOM   2375  HB2 LEU A 154      20.702   4.959  -4.476  1.00 51.60           H  
-ATOM   2376  HG  LEU A 154      21.423   2.566  -4.744  1.00 51.90           H  
-ATOM   2377 HD11 LEU A 154      23.932   3.439  -5.487  1.00 51.35           H  
-ATOM   2378 HD12 LEU A 154      22.468   3.634  -6.416  1.00 51.35           H  
-ATOM   2379 HD13 LEU A 154      23.031   4.946  -5.415  1.00 51.35           H  
-ATOM   2380 HD21 LEU A 154      24.003   2.545  -3.504  1.00 52.02           H  
-ATOM   2381 HD22 LEU A 154      22.887   3.044  -2.264  1.00 52.02           H  
-ATOM   2382 HD23 LEU A 154      22.613   1.545  -3.132  1.00 52.02           H  
-ATOM   2383  N   ASP A 155      19.592   5.122  -0.631  1.00 55.56           N  
-ATOM   2384  CA  ASP A 155      18.964   6.145   0.198  1.00 54.45           C  
-ATOM   2385  C   ASP A 155      19.682   7.497   0.026  1.00 57.14           C  
-ATOM   2386  O   ASP A 155      20.643   7.610  -0.734  1.00 48.78           O  
-ATOM   2387  CB  ASP A 155      18.798   5.688   1.680  1.00 51.20           C  
-ATOM   2388  CG  ASP A 155      19.997   5.727   2.650  1.00 55.61           C  
-ATOM   2389  OD1 ASP A 155      21.110   6.142   2.266  1.00 52.30           O  
-ATOM   2390  OD2 ASP A 155      19.771   5.330   3.812  1.00 66.69           O1-
-ATOM   2391  H   ASP A 155      20.153   4.432  -0.148  1.00 55.56           H  
-ATOM   2392  HA  ASP A 155      17.953   6.299  -0.185  1.00 54.45           H  
-ATOM   2393  HB3 ASP A 155      18.477   4.645   1.659  1.00 51.20           H  
-ATOM   2394  HB2 ASP A 155      17.960   6.222   2.129  1.00 51.20           H  
-ATOM   2395  N   ASN A 156      19.214   8.468   0.808  1.00 61.88           N  
-ATOM   2396  CA  ASN A 156      19.735   9.811   1.059  1.00 65.04           C  
-ATOM   2397  C   ASN A 156      21.277   9.945   1.061  1.00 62.39           C  
-ATOM   2398  O   ASN A 156      21.788  10.845   0.394  1.00 63.22           O  
-ATOM   2399  CB  ASN A 156      19.073  10.413   2.341  1.00 69.27           C  
-ATOM   2400  CG  ASN A 156      18.263   9.439   3.225  1.00 60.00           C  
-ATOM   2401  OD1 ASN A 156      17.292   8.832   2.772  1.00 50.04           O  
-ATOM   2402  ND2 ASN A 156      18.662   9.277   4.484  1.00 48.57           N  
-ATOM   2403  H   ASN A 156      18.414   8.241   1.384  1.00 61.88           H  
-ATOM   2404  HA  ASN A 156      19.370  10.390   0.211  1.00 65.04           H  
-ATOM   2405  HB3 ASN A 156      18.355  11.167   2.018  1.00 69.27           H  
-ATOM   2406  HB2 ASN A 156      19.796  10.967   2.942  1.00 69.27           H  
-ATOM   2407 HD22 ASN A 156      18.171   8.642   5.095  1.00 48.57           H  
-ATOM   2408 HD21 ASN A 156      19.498   9.743   4.818  1.00 48.57           H  
-ATOM   2409  N   GLU A 157      21.983   9.027   1.748  1.00 62.18           N  
-ATOM   2410  CA  GLU A 157      23.451   8.973   1.833  1.00 56.09           C  
-ATOM   2411  C   GLU A 157      24.074   7.752   1.140  1.00 58.31           C  
-ATOM   2412  O   GLU A 157      25.197   7.390   1.487  1.00 56.78           O  
-ATOM   2413  CB  GLU A 157      23.940   9.081   3.297  1.00 66.07           C  
-ATOM   2414  CG  GLU A 157      23.892  10.508   3.870  1.00 70.35           C  
-ATOM   2415  CD  GLU A 157      22.547  10.938   4.459  1.00 81.13           C  
-ATOM   2416  OE1 GLU A 157      21.725  10.058   4.803  1.00 78.70           O  
-ATOM   2417  OE2 GLU A 157      22.363  12.167   4.574  1.00 77.05           O1-
-ATOM   2418  H   GLU A 157      21.492   8.290   2.238  1.00 62.18           H  
-ATOM   2419  HA  GLU A 157      23.878   9.816   1.290  1.00 56.09           H  
-ATOM   2420  HB3 GLU A 157      24.977   8.773   3.396  1.00 66.07           H  
-ATOM   2421  HB2 GLU A 157      23.400   8.369   3.920  1.00 66.07           H  
-ATOM   2422  HG3 GLU A 157      24.214  11.226   3.115  1.00 70.35           H  
-ATOM   2423  HG2 GLU A 157      24.621  10.583   4.678  1.00 70.35           H  
-ATOM   2424  N   PHE A 158      23.399   7.170   0.139  1.00 50.03           N  
-ATOM   2425  CA  PHE A 158      23.911   6.075  -0.692  1.00 58.62           C  
-ATOM   2426  C   PHE A 158      24.096   4.744   0.054  1.00 51.70           C  
-ATOM   2427  O   PHE A 158      24.951   3.951  -0.340  1.00 57.07           O  
-ATOM   2428  CB  PHE A 158      25.186   6.491  -1.470  1.00 49.75           C  
-ATOM   2429  CG  PHE A 158      24.946   7.536  -2.529  1.00 57.39           C  
-ATOM   2430  CD1 PHE A 158      24.561   7.133  -3.820  1.00 52.11           C  
-ATOM   2431  CE1 PHE A 158      24.269   8.085  -4.781  1.00 54.86           C  
-ATOM   2432  CZ  PHE A 158      24.335   9.436  -4.468  1.00 63.83           C  
-ATOM   2433  CD2 PHE A 158      24.950   8.906  -2.204  1.00 59.11           C  
-ATOM   2434  CE2 PHE A 158      24.669   9.844  -3.184  1.00 58.25           C  
-ATOM   2435  H   PHE A 158      22.470   7.500  -0.090  1.00 50.03           H  
-ATOM   2436  HA  PHE A 158      23.130   5.874  -1.423  1.00 58.62           H  
-ATOM   2437  HB3 PHE A 158      25.628   5.635  -1.981  1.00 49.75           H  
-ATOM   2438  HB2 PHE A 158      25.964   6.855  -0.804  1.00 49.75           H  
-ATOM   2439  HD1 PHE A 158      24.505   6.083  -4.065  1.00 52.11           H  
-ATOM   2440  HE1 PHE A 158      23.993   7.775  -5.778  1.00 54.86           H  
-ATOM   2441  HZ  PHE A 158      24.109  10.172  -5.225  1.00 63.83           H  
-ATOM   2442  HD2 PHE A 158      25.180   9.221  -1.198  1.00 59.11           H  
-ATOM   2443  HE2 PHE A 158      24.703  10.892  -2.941  1.00 58.25           H  
-ATOM   2444  N   HIS A 159      23.293   4.509   1.105  1.00 51.85           N  
-ATOM   2445  CA  HIS A 159      23.180   3.209   1.755  1.00 52.79           C  
-ATOM   2446  C   HIS A 159      22.128   2.363   1.035  1.00 52.59           C  
-ATOM   2447  O   HIS A 159      21.122   2.892   0.565  1.00 50.48           O  
-ATOM   2448  CB  HIS A 159      22.839   3.329   3.248  1.00 45.43           C  
-ATOM   2449  CG  HIS A 159      23.898   3.979   4.091  1.00 52.19           C  
-ATOM   2450  ND1 HIS A 159      25.028   3.302   4.497  1.00 48.97           N  
-ATOM   2451  CE1 HIS A 159      25.742   4.124   5.259  1.00 53.46           C  
-ATOM   2452  NE2 HIS A 159      25.187   5.322   5.382  1.00 53.68           N  
-ATOM   2453  CD2 HIS A 159      24.003   5.233   4.646  1.00 49.65           C  
-ATOM   2454  H   HIS A 159      22.622   5.210   1.400  1.00 51.85           H  
-ATOM   2455  HA  HIS A 159      24.144   2.716   1.680  1.00 52.79           H  
-ATOM   2456  HB3 HIS A 159      22.702   2.329   3.657  1.00 45.43           H  
-ATOM   2457  HB2 HIS A 159      21.895   3.834   3.407  1.00 45.43           H  
-ATOM   2458  HD1 HIS A 159      25.269   2.335   4.287  1.00 48.97           H  
-ATOM   2459  HE1 HIS A 159      26.678   3.847   5.721  1.00 53.46           H  
-ATOM   2460  HD2 HIS A 159      23.320   6.066   4.574  1.00 49.65           H  
-ATOM   2461  N   VAL A 160      22.401   1.058   0.962  1.00 52.95           N  
-ATOM   2462  CA  VAL A 160      21.629   0.095   0.194  1.00 46.70           C  
-ATOM   2463  C   VAL A 160      20.333  -0.294   0.902  1.00 47.68           C  
-ATOM   2464  O   VAL A 160      20.364  -0.626   2.084  1.00 48.79           O  
-ATOM   2465  CB  VAL A 160      22.450  -1.190  -0.059  1.00 48.05           C  
-ATOM   2466  CG1 VAL A 160      21.629  -2.404  -0.546  1.00 48.57           C  
-ATOM   2467  CG2 VAL A 160      23.611  -0.891  -1.017  1.00 47.95           C  
-ATOM   2468  H   VAL A 160      23.239   0.704   1.409  1.00 52.95           H  
-ATOM   2469  HA  VAL A 160      21.412   0.548  -0.768  1.00 46.70           H  
-ATOM   2470  HB  VAL A 160      22.896  -1.484   0.885  1.00 48.05           H  
-ATOM   2471 HG11 VAL A 160      22.275  -3.197  -0.914  1.00 48.57           H  
-ATOM   2472 HG12 VAL A 160      21.043  -2.842   0.262  1.00 48.57           H  
-ATOM   2473 HG13 VAL A 160      20.940  -2.128  -1.341  1.00 48.57           H  
-ATOM   2474 HG21 VAL A 160      24.253  -1.759  -1.126  1.00 47.95           H  
-ATOM   2475 HG22 VAL A 160      23.249  -0.614  -2.005  1.00 47.95           H  
-ATOM   2476 HG23 VAL A 160      24.238  -0.078  -0.652  1.00 47.95           H  
-ATOM   2477  N   LYS A 161      19.236  -0.307   0.138  1.00 52.84           N  
-ATOM   2478  CA  LYS A 161      17.952  -0.848   0.556  1.00 52.94           C  
-ATOM   2479  C   LYS A 161      17.487  -1.771  -0.569  1.00 54.58           C  
-ATOM   2480  O   LYS A 161      17.254  -1.314  -1.685  1.00 58.70           O  
-ATOM   2481  CB  LYS A 161      16.965   0.294   0.849  1.00 57.56           C  
-ATOM   2482  CG  LYS A 161      17.497   1.309   1.883  1.00 61.60           C  
-ATOM   2483  CD  LYS A 161      16.729   1.380   3.192  1.00 65.39           C  
-ATOM   2484  CE  LYS A 161      17.406   2.360   4.159  1.00 65.85           C  
-ATOM   2485  NZ  LYS A 161      16.553   2.676   5.311  1.00 90.13           N1+
-ATOM   2486  H   LYS A 161      19.296   0.002  -0.824  1.00 52.84           H  
-ATOM   2487  HA  LYS A 161      18.057  -1.436   1.467  1.00 52.94           H  
-ATOM   2488  HB3 LYS A 161      16.017  -0.120   1.177  1.00 57.56           H  
-ATOM   2489  HB2 LYS A 161      16.747   0.832  -0.073  1.00 57.56           H  
-ATOM   2490  HG3 LYS A 161      17.534   2.295   1.427  1.00 61.60           H  
-ATOM   2491  HG2 LYS A 161      18.527   1.121   2.158  1.00 61.60           H  
-ATOM   2492  HD3 LYS A 161      16.644   0.388   3.638  1.00 65.39           H  
-ATOM   2493  HD2 LYS A 161      15.725   1.733   2.959  1.00 65.39           H  
-ATOM   2494  HE3 LYS A 161      17.629   3.299   3.651  1.00 65.85           H  
-ATOM   2495  HE2 LYS A 161      18.347   1.962   4.523  1.00 65.85           H  
-ATOM   2496  HZ1 LYS A 161      16.353   1.832   5.828  1.00 90.13           H  
-ATOM   2497  HZ2 LYS A 161      17.031   3.333   5.910  1.00 90.13           H  
-ATOM   2498  HZ3 LYS A 161      15.685   3.090   4.994  1.00 90.13           H  
-ATOM   2499  N   ILE A 162      17.414  -3.070  -0.263  1.00 59.68           N  
-ATOM   2500  CA  ILE A 162      17.032  -4.112  -1.208  1.00 60.79           C  
-ATOM   2501  C   ILE A 162      15.499  -4.164  -1.331  1.00 59.56           C  
-ATOM   2502  O   ILE A 162      14.809  -4.220  -0.312  1.00 67.09           O  
-ATOM   2503  CB  ILE A 162      17.590  -5.487  -0.750  1.00 60.95           C  
-ATOM   2504  CG1 ILE A 162      19.135  -5.471  -0.802  1.00 65.00           C  
-ATOM   2505  CG2 ILE A 162      17.044  -6.687  -1.549  1.00 69.14           C  
-ATOM   2506  CD1 ILE A 162      19.796  -6.719  -0.217  1.00 80.46           C  
-ATOM   2507  H   ILE A 162      17.665  -3.382   0.666  1.00 59.68           H  
-ATOM   2508  HA  ILE A 162      17.460  -3.879  -2.185  1.00 60.79           H  
-ATOM   2509  HB  ILE A 162      17.297  -5.630   0.289  1.00 60.95           H  
-ATOM   2510 HG13 ILE A 162      19.526  -4.604  -0.272  1.00 65.00           H  
-ATOM   2511 HG12 ILE A 162      19.456  -5.355  -1.835  1.00 65.00           H  
-ATOM   2512 HG21 ILE A 162      17.480  -7.616  -1.190  1.00 69.14           H  
-ATOM   2513 HG22 ILE A 162      15.965  -6.806  -1.449  1.00 69.14           H  
-ATOM   2514 HG23 ILE A 162      17.277  -6.591  -2.609  1.00 69.14           H  
-ATOM   2515 HD11 ILE A 162      20.741  -6.469   0.262  1.00 80.46           H  
-ATOM   2516 HD12 ILE A 162      19.164  -7.205   0.526  1.00 80.46           H  
-ATOM   2517 HD13 ILE A 162      20.001  -7.440  -1.006  1.00 80.46           H  
-ATOM   2518  N   ALA A 163      15.019  -4.140  -2.581  1.00 60.87           N  
-ATOM   2519  CA  ALA A 163      13.607  -4.171  -2.954  1.00 66.14           C  
-ATOM   2520  C   ALA A 163      13.342  -5.325  -3.934  1.00 63.12           C  
-ATOM   2521  O   ALA A 163      14.286  -5.900  -4.476  1.00 57.05           O  
-ATOM   2522  CB  ALA A 163      13.269  -2.821  -3.607  1.00 64.24           C  
-ATOM   2523  H   ALA A 163      15.666  -4.095  -3.357  1.00 60.87           H  
-ATOM   2524  HA  ALA A 163      12.974  -4.317  -2.077  1.00 66.14           H  
-ATOM   2525  HB1 ALA A 163      12.213  -2.754  -3.869  1.00 64.24           H  
-ATOM   2526  HB2 ALA A 163      13.487  -2.000  -2.926  1.00 64.24           H  
-ATOM   2527  HB3 ALA A 163      13.847  -2.658  -4.517  1.00 64.24           H  
-ATOM   2528  N   ASP A 164      12.049  -5.608  -4.167  1.00 76.14           N  
-ATOM   2529  CA  ASP A 164      11.523  -6.482  -5.229  1.00 68.81           C  
-ATOM   2530  C   ASP A 164      12.009  -7.938  -5.098  1.00 69.01           C  
-ATOM   2531  O   ASP A 164      12.728  -8.397  -5.983  1.00 64.36           O  
-ATOM   2532  CB  ASP A 164      11.784  -5.923  -6.659  1.00 75.42           C  
-ATOM   2533  CG  ASP A 164      11.322  -4.485  -6.958  1.00 86.64           C  
-ATOM   2534  OD1 ASP A 164      10.444  -3.960  -6.239  1.00 74.65           O  
-ATOM   2535  OD2 ASP A 164      11.774  -3.968  -8.002  1.00 89.49           O1-
-ATOM   2536  H   ASP A 164      11.342  -5.088  -3.668  1.00 76.14           H  
-ATOM   2537  HA  ASP A 164      10.442  -6.536  -5.121  1.00 68.81           H  
-ATOM   2538  HB3 ASP A 164      11.292  -6.567  -7.390  1.00 75.42           H  
-ATOM   2539  HB2 ASP A 164      12.853  -5.962  -6.874  1.00 75.42           H  
-ATOM   2540  N   PHE A 165      11.646  -8.635  -4.005  1.00 72.15           N  
-ATOM   2541  CA  PHE A 165      12.198  -9.963  -3.701  1.00 79.34           C  
-ATOM   2542  C   PHE A 165      11.139 -11.004  -3.318  1.00 95.86           C  
-ATOM   2543  O   PHE A 165      10.229 -10.692  -2.556  1.00111.55           O  
-ATOM   2544  CB  PHE A 165      13.294  -9.814  -2.631  1.00 86.31           C  
-ATOM   2545  CG  PHE A 165      12.942  -9.277  -1.260  1.00 76.42           C  
-ATOM   2546  CD1 PHE A 165      12.382 -10.113  -0.272  1.00 76.48           C  
-ATOM   2547  CE1 PHE A 165      12.061  -9.585   0.970  1.00 75.12           C  
-ATOM   2548  CZ  PHE A 165      12.280  -8.241   1.238  1.00 79.20           C  
-ATOM   2549  CD2 PHE A 165      13.116  -7.906  -0.989  1.00 70.37           C  
-ATOM   2550  CE2 PHE A 165      12.793  -7.404   0.258  1.00 67.72           C  
-ATOM   2551  H   PHE A 165      11.037  -8.222  -3.313  1.00 72.15           H  
-ATOM   2552  HA  PHE A 165      12.691 -10.369  -4.586  1.00 79.34           H  
-ATOM   2553  HB3 PHE A 165      14.040  -9.142  -3.031  1.00 86.31           H  
-ATOM   2554  HB2 PHE A 165      13.788 -10.770  -2.483  1.00 86.31           H  
-ATOM   2555  HD1 PHE A 165      12.214 -11.161  -0.470  1.00 76.48           H  
-ATOM   2556  HE1 PHE A 165      11.640 -10.209   1.740  1.00 75.12           H  
-ATOM   2557  HZ  PHE A 165      12.031  -7.836   2.204  1.00 79.20           H  
-ATOM   2558  HD2 PHE A 165      13.511  -7.244  -1.744  1.00 70.37           H  
-ATOM   2559  HE2 PHE A 165      12.920  -6.350   0.448  1.00 67.72           H  
-ATOM   2560  N   GLY A 166      11.320 -12.244  -3.805  1.00119.72           N  
-ATOM   2561  CA  GLY A 166      10.475 -13.393  -3.471  1.00109.92           C  
-ATOM   2562  C   GLY A 166       9.364 -13.566  -4.516  1.00100.41           C  
-ATOM   2563  O   GLY A 166       9.610 -13.410  -5.711  1.00 92.55           O  
-ATOM   2564  H   GLY A 166      12.098 -12.425  -4.426  1.00119.72           H  
-ATOM   2565  HA3 GLY A 166      10.056 -13.299  -2.468  1.00109.92           H  
-ATOM   2566  HA2 GLY A 166      11.097 -14.289  -3.472  1.00109.92           H  
-ATOM   2567  N   NMA A 166A      8.155 -13.933  -4.058  1.00  0.00           N  
-ATOM   2568  CA  NMA A 166A      6.988 -14.148  -4.908  1.00  0.00           C  
-ATOM   2569  H   NMA A 166A      8.026 -14.048  -3.064  1.00  0.00           H  
-ATOM   2570 1HA  NMA A 166A      7.178 -13.965  -5.966  1.00  0.00           H  
-ATOM   2571 2HA  NMA A 166A      6.640 -15.175  -4.805  1.00  0.00           H  
-ATOM   2572 3HA  NMA A 166A      6.182 -13.484  -4.596  1.00  0.00           H  
-ATOM   2573  CH3 ACE A 188      13.326  -9.034 -16.196  1.00  0.00           C  
-ATOM   2574  C   ACE A 188      14.838  -9.184 -16.133  1.00  0.00           C  
-ATOM   2575  O   ACE A 188      15.389  -9.167 -15.038  1.00  0.00           O  
-ATOM   2576 1H   ACE A 188      12.900  -8.957 -15.195  1.00  0.00           H  
-ATOM   2577 2H   ACE A 188      13.055  -8.137 -16.752  1.00  0.00           H  
-ATOM   2578 3H   ACE A 188      12.878  -9.896 -16.689  1.00  0.00           H  
-ATOM   2579  N   THR A 189      15.484  -9.336 -17.302  1.00107.01           N  
-ATOM   2580  CA  THR A 189      16.925  -9.540 -17.516  1.00103.54           C  
-ATOM   2581  C   THR A 189      17.470 -10.847 -16.883  1.00 93.63           C  
-ATOM   2582  O   THR A 189      17.031 -11.261 -15.812  1.00 95.35           O  
-ATOM   2583  CB  THR A 189      17.801  -8.308 -17.112  1.00 89.56           C  
-ATOM   2584  OG1 THR A 189      19.112  -8.464 -17.612  1.00 81.14           O  
-ATOM   2585  CG2 THR A 189      17.969  -7.993 -15.612  1.00 88.49           C  
-ATOM   2586  H1  THR A 189      14.933  -9.341 -18.147  1.00107.01           H  
-ATOM   2587  HA  THR A 189      17.019  -9.658 -18.596  1.00103.54           H  
-ATOM   2588  HB  THR A 189      17.395  -7.422 -17.599  1.00 89.56           H  
-ATOM   2589  HG1 THR A 189      19.651  -7.737 -17.289  1.00 81.14           H  
-ATOM   2590 HG21 THR A 189      18.812  -7.321 -15.446  1.00 88.49           H  
-ATOM   2591 HG22 THR A 189      17.105  -7.463 -15.217  1.00 88.49           H  
-ATOM   2592 HG23 THR A 189      18.146  -8.880 -15.006  1.00 88.49           H  
-ATOM   2593  N   ILE A 190      18.403 -11.499 -17.587  1.00 87.05           N  
-ATOM   2594  CA  ILE A 190      18.890 -12.846 -17.272  1.00 81.62           C  
-ATOM   2595  C   ILE A 190      20.403 -12.887 -16.983  1.00 72.84           C  
-ATOM   2596  O   ILE A 190      20.944 -13.973 -16.773  1.00 67.90           O  
-ATOM   2597  CB  ILE A 190      18.537 -13.833 -18.426  1.00 89.01           C  
-ATOM   2598  CG1 ILE A 190      18.955 -13.364 -19.843  1.00 72.98           C  
-ATOM   2599  CG2 ILE A 190      17.029 -14.146 -18.415  1.00 83.25           C  
-ATOM   2600  CD1 ILE A 190      20.463 -13.244 -20.096  1.00 74.94           C  
-ATOM   2601  H   ILE A 190      18.738 -11.100 -18.451  1.00 87.05           H  
-ATOM   2602  HA  ILE A 190      18.421 -13.217 -16.360  1.00 81.62           H  
-ATOM   2603  HB  ILE A 190      19.035 -14.786 -18.244  1.00 89.01           H  
-ATOM   2604 HG13 ILE A 190      18.474 -12.417 -20.085  1.00 72.98           H  
-ATOM   2605 HG12 ILE A 190      18.562 -14.072 -20.574  1.00 72.98           H  
-ATOM   2606 HG21 ILE A 190      16.778 -14.897 -19.164  1.00 83.25           H  
-ATOM   2607 HG22 ILE A 190      16.713 -14.539 -17.451  1.00 83.25           H  
-ATOM   2608 HG23 ILE A 190      16.431 -13.259 -18.624  1.00 83.25           H  
-ATOM   2609 HD11 ILE A 190      20.675 -13.322 -21.161  1.00 74.94           H  
-ATOM   2610 HD12 ILE A 190      20.850 -12.282 -19.764  1.00 74.94           H  
-ATOM   2611 HD13 ILE A 190      21.019 -14.037 -19.597  1.00 74.94           H  
-ATOM   2612  N   ILE A 191      21.062 -11.715 -16.973  1.00 72.53           N  
-ATOM   2613  CA  ILE A 191      22.514 -11.581 -16.811  1.00 70.91           C  
-ATOM   2614  C   ILE A 191      22.997 -11.953 -15.390  1.00 59.71           C  
-ATOM   2615  O   ILE A 191      24.167 -12.292 -15.235  1.00 68.96           O  
-ATOM   2616  CB  ILE A 191      23.011 -10.147 -17.186  1.00 82.85           C  
-ATOM   2617  CG1 ILE A 191      22.848  -9.072 -16.084  1.00 87.58           C  
-ATOM   2618  CG2 ILE A 191      22.394  -9.683 -18.522  1.00 75.77           C  
-ATOM   2619  CD1 ILE A 191      23.356  -7.679 -16.477  1.00 93.42           C  
-ATOM   2620  H   ILE A 191      20.553 -10.858 -17.136  1.00 72.53           H  
-ATOM   2621  HA  ILE A 191      22.984 -12.285 -17.500  1.00 70.91           H  
-ATOM   2622  HB  ILE A 191      24.084 -10.239 -17.364  1.00 82.85           H  
-ATOM   2623 HG13 ILE A 191      23.368  -9.356 -15.171  1.00 87.58           H  
-ATOM   2624 HG12 ILE A 191      21.791  -8.998 -15.829  1.00 87.58           H  
-ATOM   2625 HG21 ILE A 191      22.873  -8.781 -18.902  1.00 75.77           H  
-ATOM   2626 HG22 ILE A 191      22.520 -10.448 -19.289  1.00 75.77           H  
-ATOM   2627 HG23 ILE A 191      21.330  -9.478 -18.436  1.00 75.77           H  
-ATOM   2628 HD11 ILE A 191      23.773  -7.155 -15.619  1.00 93.42           H  
-ATOM   2629 HD12 ILE A 191      24.147  -7.736 -17.224  1.00 93.42           H  
-ATOM   2630 HD13 ILE A 191      22.554  -7.064 -16.882  1.00 93.42           H  
-ATOM   2631  N   TYR A 192      22.086 -11.901 -14.401  1.00 60.17           N  
-ATOM   2632  CA  TYR A 192      22.321 -12.237 -12.993  1.00 68.46           C  
-ATOM   2633  C   TYR A 192      21.793 -13.630 -12.627  1.00 74.29           C  
-ATOM   2634  O   TYR A 192      21.868 -14.001 -11.460  1.00 61.17           O  
-ATOM   2635  CB  TYR A 192      21.622 -11.199 -12.098  1.00 61.35           C  
-ATOM   2636  CG  TYR A 192      21.976  -9.769 -12.418  1.00 58.62           C  
-ATOM   2637  CD1 TYR A 192      23.248  -9.262 -12.098  1.00 60.10           C  
-ATOM   2638  CE1 TYR A 192      23.569  -7.929 -12.408  1.00 61.85           C  
-ATOM   2639  CZ  TYR A 192      22.609  -7.110 -13.037  1.00 61.95           C  
-ATOM   2640  OH  TYR A 192      22.857  -5.812 -13.343  1.00 62.38           O  
-ATOM   2641  CE2 TYR A 192      21.352  -7.625 -13.373  1.00 61.11           C  
-ATOM   2642  CD2 TYR A 192      21.032  -8.953 -13.062  1.00 59.01           C  
-ATOM   2643  H   TYR A 192      21.147 -11.606 -14.626  1.00 60.17           H  
-ATOM   2644  HA  TYR A 192      23.390 -12.224 -12.776  1.00 68.46           H  
-ATOM   2645  HB3 TYR A 192      21.869 -11.372 -11.052  1.00 61.35           H  
-ATOM   2646  HB2 TYR A 192      20.538 -11.312 -12.169  1.00 61.35           H  
-ATOM   2647  HD1 TYR A 192      23.969  -9.885 -11.595  1.00 60.10           H  
-ATOM   2648  HE1 TYR A 192      24.537  -7.541 -12.132  1.00 61.85           H  
-ATOM   2649  HH  TYR A 192      23.800  -5.597 -13.306  1.00 62.38           H  
-ATOM   2650  HE2 TYR A 192      20.628  -6.998 -13.870  1.00 61.11           H  
-ATOM   2651  HD2 TYR A 192      20.060  -9.342 -13.326  1.00 59.01           H  
-ATOM   2652  N   MET A 193      21.238 -14.367 -13.597  1.00 62.85           N  
-ATOM   2653  CA  MET A 193      20.642 -15.673 -13.367  1.00 70.76           C  
-ATOM   2654  C   MET A 193      21.701 -16.768 -13.580  1.00 63.35           C  
-ATOM   2655  O   MET A 193      22.372 -16.753 -14.614  1.00 73.90           O  
-ATOM   2656  CB  MET A 193      19.471 -15.827 -14.341  1.00 75.35           C  
-ATOM   2657  CG  MET A 193      18.540 -16.980 -13.957  1.00 89.36           C  
-ATOM   2658  SD  MET A 193      17.097 -17.150 -15.029  1.00 96.65           S  
-ATOM   2659  CE  MET A 193      16.265 -15.572 -14.705  1.00 96.88           C  
-ATOM   2660  H   MET A 193      21.227 -14.028 -14.549  1.00 62.85           H  
-ATOM   2661  HA  MET A 193      20.228 -15.673 -12.360  1.00 70.76           H  
-ATOM   2662  HB3 MET A 193      19.827 -15.964 -15.361  1.00 75.35           H  
-ATOM   2663  HB2 MET A 193      18.906 -14.896 -14.345  1.00 75.35           H  
-ATOM   2664  HG3 MET A 193      18.192 -16.857 -12.932  1.00 89.36           H  
-ATOM   2665  HG2 MET A 193      19.090 -17.918 -13.999  1.00 89.36           H  
-ATOM   2666  HE1 MET A 193      15.286 -15.567 -15.183  1.00 96.88           H  
-ATOM   2667  HE2 MET A 193      16.124 -15.428 -13.635  1.00 96.88           H  
-ATOM   2668  HE3 MET A 193      16.833 -14.731 -15.098  1.00 96.88           H  
-ATOM   2669  N   PRO A 194      21.846 -17.699 -12.611  1.00 59.58           N  
-ATOM   2670  CA  PRO A 194      22.760 -18.837 -12.774  1.00 62.73           C  
-ATOM   2671  C   PRO A 194      22.203 -19.849 -13.797  1.00 64.99           C  
-ATOM   2672  O   PRO A 194      20.981 -19.943 -13.932  1.00 58.10           O  
-ATOM   2673  CB  PRO A 194      22.792 -19.431 -11.368  1.00 54.59           C  
-ATOM   2674  CG  PRO A 194      21.412 -19.170 -10.805  1.00 58.74           C  
-ATOM   2675  CD  PRO A 194      21.079 -17.799 -11.368  1.00 64.98           C  
-ATOM   2676  HA  PRO A 194      23.748 -18.484 -13.067  1.00 62.73           H  
-ATOM   2677  HB3 PRO A 194      23.528 -18.929 -10.755  1.00 54.59           H  
-ATOM   2678  HB2 PRO A 194      23.063 -20.474 -11.367  1.00 54.59           H  
-ATOM   2679  HG3 PRO A 194      21.374 -19.215  -9.725  1.00 58.74           H  
-ATOM   2680  HG2 PRO A 194      20.713 -19.914 -11.186  1.00 58.74           H  
-ATOM   2681  HD2 PRO A 194      20.003 -17.714 -11.520  1.00 64.98           H  
-ATOM   2682  HD3 PRO A 194      21.405 -17.010 -10.689  1.00 64.98           H  
-ATOM   2683  N   PRO A 195      23.092 -20.593 -14.491  1.00 71.83           N  
-ATOM   2684  CA  PRO A 195      22.682 -21.472 -15.598  1.00 80.00           C  
-ATOM   2685  C   PRO A 195      21.662 -22.560 -15.230  1.00 77.75           C  
-ATOM   2686  O   PRO A 195      20.776 -22.822 -16.041  1.00 79.41           O  
-ATOM   2687  CB  PRO A 195      23.994 -22.068 -16.128  1.00 78.08           C  
-ATOM   2688  CG  PRO A 195      24.983 -21.909 -14.986  1.00 81.76           C  
-ATOM   2689  CD  PRO A 195      24.539 -20.625 -14.299  1.00 75.59           C  
-ATOM   2690  HA  PRO A 195      22.233 -20.851 -16.368  1.00 80.00           H  
-ATOM   2691  HB3 PRO A 195      24.328 -21.499 -16.991  1.00 78.08           H  
-ATOM   2692  HB2 PRO A 195      23.912 -23.107 -16.450  1.00 78.08           H  
-ATOM   2693  HG3 PRO A 195      26.020 -21.876 -15.316  1.00 81.76           H  
-ATOM   2694  HG2 PRO A 195      24.876 -22.745 -14.295  1.00 81.76           H  
-ATOM   2695  HD2 PRO A 195      24.831 -20.624 -13.250  1.00 75.59           H  
-ATOM   2696  HD3 PRO A 195      24.980 -19.750 -14.777  1.00 75.59           H  
-ATOM   2697  N   GLU A 196      21.759 -23.122 -14.009  1.00 75.31           N  
-ATOM   2698  CA  GLU A 196      20.844 -24.161 -13.526  1.00 84.93           C  
-ATOM   2699  C   GLU A 196      19.374 -23.711 -13.416  1.00 89.39           C  
-ATOM   2700  O   GLU A 196      18.505 -24.581 -13.403  1.00 98.11           O  
-ATOM   2701  CB  GLU A 196      21.349 -24.787 -12.202  1.00 78.52           C  
-ATOM   2702  CG  GLU A 196      21.030 -24.044 -10.870  1.00 88.63           C  
-ATOM   2703  CD  GLU A 196      22.048 -23.010 -10.393  1.00 81.17           C  
-ATOM   2704  OE1 GLU A 196      23.120 -22.904 -11.025  1.00 74.30           O  
-ATOM   2705  OE2 GLU A 196      21.750 -22.356  -9.368  1.00 91.73           O1-
-ATOM   2706  H   GLU A 196      22.493 -22.844 -13.373  1.00 75.31           H  
-ATOM   2707  HA  GLU A 196      20.870 -24.952 -14.278  1.00 84.93           H  
-ATOM   2708  HB3 GLU A 196      22.411 -25.018 -12.286  1.00 78.52           H  
-ATOM   2709  HB2 GLU A 196      20.886 -25.772 -12.126  1.00 78.52           H  
-ATOM   2710  HG3 GLU A 196      20.992 -24.799 -10.084  1.00 88.63           H  
-ATOM   2711  HG2 GLU A 196      20.038 -23.596 -10.867  1.00 88.63           H  
-ATOM   2712  N   ASN A 197      19.117 -22.393 -13.328  1.00 92.24           N  
-ATOM   2713  CA  ASN A 197      17.774 -21.830 -13.175  1.00102.30           C  
-ATOM   2714  C   ASN A 197      17.044 -21.599 -14.513  1.00 99.65           C  
-ATOM   2715  O   ASN A 197      15.840 -21.346 -14.476  1.00 93.75           O  
-ATOM   2716  CB  ASN A 197      17.856 -20.526 -12.346  1.00100.41           C  
-ATOM   2717  CG  ASN A 197      16.489 -20.041 -11.843  1.00103.28           C  
-ATOM   2718  OD1 ASN A 197      15.745 -20.797 -11.224  1.00110.42           O  
-ATOM   2719  ND2 ASN A 197      16.144 -18.785 -12.124  1.00 96.88           N  
-ATOM   2720  H   ASN A 197      19.881 -21.731 -13.354  1.00 92.24           H  
-ATOM   2721  HA  ASN A 197      17.146 -22.539 -12.631  1.00102.30           H  
-ATOM   2722  HB3 ASN A 197      18.360 -19.745 -12.911  1.00100.41           H  
-ATOM   2723  HB2 ASN A 197      18.465 -20.702 -11.460  1.00100.41           H  
-ATOM   2724 HD22 ASN A 197      15.252 -18.428 -11.812  1.00 96.88           H  
-ATOM   2725 HD21 ASN A 197      16.763 -18.183 -12.644  1.00 96.88           H  
-ATOM   2726  N   TYR A 198      17.735 -21.702 -15.664  1.00 90.10           N  
-ATOM   2727  CA  TYR A 198      17.154 -21.472 -16.997  1.00100.86           C  
-ATOM   2728  C   TYR A 198      15.921 -22.329 -17.332  1.00129.99           C  
-ATOM   2729  O   TYR A 198      15.108 -21.892 -18.145  1.00119.00           O  
-ATOM   2730  CB  TYR A 198      18.236 -21.656 -18.085  1.00 84.98           C  
-ATOM   2731  CG  TYR A 198      19.376 -20.650 -18.109  1.00 80.28           C  
-ATOM   2732  CD1 TYR A 198      19.254 -19.378 -17.504  1.00 75.36           C  
-ATOM   2733  CE1 TYR A 198      20.299 -18.447 -17.584  1.00 69.13           C  
-ATOM   2734  CZ  TYR A 198      21.483 -18.782 -18.254  1.00 74.11           C  
-ATOM   2735  OH  TYR A 198      22.485 -17.865 -18.317  1.00 79.13           O  
-ATOM   2736  CE2 TYR A 198      21.627 -20.052 -18.841  1.00 83.70           C  
-ATOM   2737  CD2 TYR A 198      20.570 -20.979 -18.783  1.00 81.04           C  
-ATOM   2738  H   TYR A 198      18.719 -21.931 -15.638  1.00 90.10           H  
-ATOM   2739  HA  TYR A 198      16.783 -20.448 -17.018  1.00100.86           H  
-ATOM   2740  HB3 TYR A 198      17.773 -21.600 -19.070  1.00 84.98           H  
-ATOM   2741  HB2 TYR A 198      18.657 -22.659 -18.011  1.00 84.98           H  
-ATOM   2742  HD1 TYR A 198      18.359 -19.076 -16.987  1.00 75.36           H  
-ATOM   2743  HE1 TYR A 198      20.187 -17.475 -17.129  1.00 69.13           H  
-ATOM   2744  HH  TYR A 198      22.291 -17.062 -17.829  1.00 79.13           H  
-ATOM   2745  HE2 TYR A 198      22.558 -20.328 -19.305  1.00 83.70           H  
-ATOM   2746  HD2 TYR A 198      20.685 -21.951 -19.240  1.00 81.04           H  
-ATOM   2747  N   GLU A 199      15.797 -23.502 -16.691  1.00151.56           N  
-ATOM   2748  CA  GLU A 199      14.775 -24.506 -16.969  1.00160.00           C  
-ATOM   2749  C   GLU A 199      14.119 -24.942 -15.641  1.00171.36           C  
-ATOM   2750  O   GLU A 199      14.501 -25.982 -15.106  1.00167.96           O  
-ATOM   2751  CB  GLU A 199      15.430 -25.695 -17.722  1.00153.10           C  
-ATOM   2752  CG  GLU A 199      16.511 -25.294 -18.752  1.00150.15           C  
-ATOM   2753  CD  GLU A 199      17.141 -26.445 -19.540  1.00140.29           C  
-ATOM   2754  OE1 GLU A 199      16.670 -27.598 -19.420  1.00133.23           O  
-ATOM   2755  OE2 GLU A 199      18.107 -26.140 -20.272  1.00127.31           O1-
-ATOM   2756  H   GLU A 199      16.497 -23.766 -16.013  1.00151.56           H  
-ATOM   2757  HA  GLU A 199      14.000 -24.095 -17.618  1.00160.00           H  
-ATOM   2758  HB3 GLU A 199      14.637 -26.249 -18.227  1.00153.10           H  
-ATOM   2759  HB2 GLU A 199      15.892 -26.399 -17.031  1.00153.10           H  
-ATOM   2760  HG3 GLU A 199      17.335 -24.783 -18.253  1.00150.15           H  
-ATOM   2761  HG2 GLU A 199      16.087 -24.586 -19.465  1.00150.15           H  
-ATOM   2762  N   PRO A 200      13.161 -24.150 -15.099  1.00181.60           N  
-ATOM   2763  CA  PRO A 200      12.470 -24.499 -13.840  1.00175.87           C  
-ATOM   2764  C   PRO A 200      11.741 -25.858 -13.846  1.00165.00           C  
-ATOM   2765  O   PRO A 200      11.909 -26.618 -12.895  1.00144.57           O  
-ATOM   2766  CB  PRO A 200      11.490 -23.336 -13.604  1.00167.11           C  
-ATOM   2767  CG  PRO A 200      12.057 -22.178 -14.404  1.00172.37           C  
-ATOM   2768  CD  PRO A 200      12.697 -22.858 -15.605  1.00177.06           C  
-ATOM   2769  HA  PRO A 200      13.222 -24.496 -13.049  1.00175.87           H  
-ATOM   2770  HB3 PRO A 200      11.381 -23.089 -12.548  1.00167.11           H  
-ATOM   2771  HB2 PRO A 200      10.496 -23.575 -13.984  1.00167.11           H  
-ATOM   2772  HG3 PRO A 200      12.833 -21.683 -13.818  1.00172.37           H  
-ATOM   2773  HG2 PRO A 200      11.312 -21.430 -14.674  1.00172.37           H  
-ATOM   2774  HD2 PRO A 200      11.962 -23.033 -16.391  1.00177.06           H  
-ATOM   2775  HD3 PRO A 200      13.487 -22.229 -16.006  1.00177.06           H  
-ATOM   2776  N   NMA A 200A     10.977 -26.143 -14.913  1.00  0.00           N  
-ATOM   2777  CA  NMA A 200A     10.225 -27.383 -15.066  1.00  0.00           C  
-ATOM   2778  H   NMA A 200A     10.905 -25.468 -15.658  1.00  0.00           H  
-ATOM   2779 1HA  NMA A 200A     10.379 -28.090 -14.251  1.00  0.00           H  
-ATOM   2780 2HA  NMA A 200A      9.160 -27.161 -15.121  1.00  0.00           H  
-ATOM   2781 3HA  NMA A 200A     10.516 -27.873 -15.994  1.00  0.00           H  
-ATOM   2782  CH3 ACE A 206      15.011 -22.148  -6.385  1.00  0.00           C  
-ATOM   2783  C   ACE A 206      16.512 -22.087  -6.141  1.00  0.00           C  
-ATOM   2784  O   ACE A 206      17.179 -21.187  -6.646  1.00  0.00           O  
-ATOM   2785 1H   ACE A 206      14.694 -21.360  -7.068  1.00  0.00           H  
-ATOM   2786 2H   ACE A 206      14.742 -23.104  -6.833  1.00  0.00           H  
-ATOM   2787 3H   ACE A 206      14.461 -22.044  -5.451  1.00  0.00           H  
-ATOM   2788  N   SER A 207      17.031 -23.057  -5.372  1.00 94.33           N  
-ATOM   2789  CA  SER A 207      18.436 -23.196  -4.982  1.00 98.26           C  
-ATOM   2790  C   SER A 207      18.857 -22.070  -4.028  1.00103.12           C  
-ATOM   2791  O   SER A 207      18.840 -20.901  -4.407  1.00 94.88           O  
-ATOM   2792  CB  SER A 207      19.361 -23.281  -6.227  1.00102.56           C  
-ATOM   2793  OG  SER A 207      20.692 -23.610  -5.882  1.00 96.76           O  
-ATOM   2794  H1  SER A 207      16.409 -23.761  -5.000  1.00 94.33           H  
-ATOM   2795  HA  SER A 207      18.502 -24.146  -4.451  1.00 98.26           H  
-ATOM   2796  HB3 SER A 207      19.397 -22.342  -6.778  1.00102.56           H  
-ATOM   2797  HB2 SER A 207      18.993 -24.039  -6.919  1.00102.56           H  
-ATOM   2798  HG  SER A 207      21.209 -23.640  -6.691  1.00 96.76           H  
-ATOM   2799  N   ILE A 208      19.307 -22.448  -2.824  1.00 94.08           N  
-ATOM   2800  CA  ILE A 208      19.943 -21.543  -1.862  1.00 90.84           C  
-ATOM   2801  C   ILE A 208      21.154 -20.771  -2.434  1.00 70.76           C  
-ATOM   2802  O   ILE A 208      21.482 -19.735  -1.869  1.00 72.00           O  
-ATOM   2803  CB  ILE A 208      20.400 -22.305  -0.584  1.00103.70           C  
-ATOM   2804  CG1 ILE A 208      21.419 -23.436  -0.880  1.00117.84           C  
-ATOM   2805  CG2 ILE A 208      19.176 -22.807   0.204  1.00111.75           C  
-ATOM   2806  CD1 ILE A 208      21.770 -24.327   0.315  1.00118.48           C  
-ATOM   2807  H   ILE A 208      19.301 -23.425  -2.574  1.00 94.08           H  
-ATOM   2808  HA  ILE A 208      19.198 -20.798  -1.578  1.00 90.84           H  
-ATOM   2809  HB  ILE A 208      20.903 -21.589   0.069  1.00103.70           H  
-ATOM   2810 HG13 ILE A 208      22.343 -22.993  -1.239  1.00117.84           H  
-ATOM   2811 HG12 ILE A 208      21.051 -24.077  -1.680  1.00117.84           H  
-ATOM   2812 HG21 ILE A 208      19.456 -23.195   1.182  1.00111.75           H  
-ATOM   2813 HG22 ILE A 208      18.464 -22.001   0.378  1.00111.75           H  
-ATOM   2814 HG23 ILE A 208      18.653 -23.600  -0.331  1.00111.75           H  
-ATOM   2815 HD11 ILE A 208      22.694 -24.876   0.129  1.00118.48           H  
-ATOM   2816 HD12 ILE A 208      21.914 -23.738   1.221  1.00118.48           H  
-ATOM   2817 HD13 ILE A 208      20.986 -25.060   0.507  1.00118.48           H  
-ATOM   2818  N   LYS A 209      21.744 -21.258  -3.542  1.00 64.29           N  
-ATOM   2819  CA  LYS A 209      22.923 -20.725  -4.221  1.00 63.10           C  
-ATOM   2820  C   LYS A 209      22.623 -19.846  -5.447  1.00 63.24           C  
-ATOM   2821  O   LYS A 209      23.574 -19.464  -6.132  1.00 64.87           O  
-ATOM   2822  CB  LYS A 209      23.813 -21.912  -4.630  1.00 70.54           C  
-ATOM   2823  CG  LYS A 209      24.264 -22.803  -3.471  1.00 69.75           C  
-ATOM   2824  CD  LYS A 209      24.954 -22.019  -2.336  1.00 74.77           C  
-ATOM   2825  CE  LYS A 209      25.599 -22.912  -1.271  1.00 70.80           C  
-ATOM   2826  NZ  LYS A 209      26.720 -23.698  -1.813  1.00 79.71           N1+
-ATOM   2827  H   LYS A 209      21.362 -22.099  -3.953  1.00 64.29           H  
-ATOM   2828  HA  LYS A 209      23.482 -20.093  -3.535  1.00 63.10           H  
-ATOM   2829  HB3 LYS A 209      24.710 -21.546  -5.113  1.00 70.54           H  
-ATOM   2830  HB2 LYS A 209      23.294 -22.523  -5.368  1.00 70.54           H  
-ATOM   2831  HG3 LYS A 209      24.924 -23.565  -3.874  1.00 69.75           H  
-ATOM   2832  HG2 LYS A 209      23.413 -23.361  -3.089  1.00 69.75           H  
-ATOM   2833  HD3 LYS A 209      24.221 -21.389  -1.832  1.00 74.77           H  
-ATOM   2834  HD2 LYS A 209      25.697 -21.336  -2.751  1.00 74.77           H  
-ATOM   2835  HE3 LYS A 209      24.857 -23.590  -0.850  1.00 70.80           H  
-ATOM   2836  HE2 LYS A 209      25.975 -22.299  -0.452  1.00 70.80           H  
-ATOM   2837  HZ1 LYS A 209      27.454 -23.070  -2.117  1.00 79.71           H  
-ATOM   2838  HZ2 LYS A 209      27.086 -24.311  -1.100  1.00 79.71           H  
-ATOM   2839  HZ3 LYS A 209      26.406 -24.247  -2.600  1.00 79.71           H  
-ATOM   2840  N   HIS A 210      21.352 -19.507  -5.718  1.00 58.42           N  
-ATOM   2841  CA  HIS A 210      21.004 -18.559  -6.779  1.00 60.13           C  
-ATOM   2842  C   HIS A 210      21.529 -17.152  -6.473  1.00 58.00           C  
-ATOM   2843  O   HIS A 210      22.194 -16.561  -7.320  1.00 51.03           O  
-ATOM   2844  CB  HIS A 210      19.480 -18.566  -7.010  1.00 61.38           C  
-ATOM   2845  CG  HIS A 210      18.898 -17.712  -8.121  1.00 72.62           C  
-ATOM   2846  ND1 HIS A 210      19.434 -16.522  -8.592  1.00 80.16           N  
-ATOM   2847  CE1 HIS A 210      18.629 -16.069  -9.554  1.00 77.30           C  
-ATOM   2848  NE2 HIS A 210      17.592 -16.866  -9.776  1.00 78.45           N  
-ATOM   2849  CD2 HIS A 210      17.759 -17.910  -8.868  1.00 79.40           C  
-ATOM   2850  H   HIS A 210      20.594 -19.846  -5.139  1.00 58.42           H  
-ATOM   2851  HA  HIS A 210      21.500 -18.904  -7.681  1.00 60.13           H  
-ATOM   2852  HB3 HIS A 210      18.971 -18.298  -6.085  1.00 61.38           H  
-ATOM   2853  HB2 HIS A 210      19.177 -19.591  -7.224  1.00 61.38           H  
-ATOM   2854  HD1 HIS A 210      20.280 -16.074  -8.267  1.00 80.16           H  
-ATOM   2855  HE1 HIS A 210      18.807 -15.153 -10.098  1.00 77.30           H  
-ATOM   2856  HD2 HIS A 210      17.046 -18.720  -8.815  1.00 79.40           H  
-ATOM   2857  N   ASP A 211      21.198 -16.640  -5.281  1.00 57.30           N  
-ATOM   2858  CA  ASP A 211      21.457 -15.257  -4.880  1.00 53.48           C  
-ATOM   2859  C   ASP A 211      22.935 -14.874  -4.876  1.00 55.83           C  
-ATOM   2860  O   ASP A 211      23.251 -13.764  -5.299  1.00 56.02           O  
-ATOM   2861  CB  ASP A 211      20.757 -14.891  -3.552  1.00 51.91           C  
-ATOM   2862  CG  ASP A 211      19.228 -14.990  -3.620  1.00 49.06           C  
-ATOM   2863  OD1 ASP A 211      18.678 -14.815  -4.723  1.00 54.65           O  
-ATOM   2864  OD2 ASP A 211      18.604 -15.143  -2.554  1.00 52.71           O1-
-ATOM   2865  H   ASP A 211      20.651 -17.195  -4.636  1.00 57.30           H  
-ATOM   2866  HA  ASP A 211      21.036 -14.631  -5.669  1.00 53.48           H  
-ATOM   2867  HB3 ASP A 211      21.013 -13.872  -3.262  1.00 51.91           H  
-ATOM   2868  HB2 ASP A 211      21.113 -15.553  -2.764  1.00 51.91           H  
-ATOM   2869  N   ILE A 212      23.820 -15.799  -4.478  1.00 48.62           N  
-ATOM   2870  CA  ILE A 212      25.262 -15.582  -4.514  1.00 51.79           C  
-ATOM   2871  C   ILE A 212      25.829 -15.535  -5.949  1.00 52.29           C  
-ATOM   2872  O   ILE A 212      26.825 -14.841  -6.156  1.00 54.89           O  
-ATOM   2873  CB  ILE A 212      26.043 -16.617  -3.662  1.00 52.34           C  
-ATOM   2874  CG1 ILE A 212      27.521 -16.230  -3.436  1.00 54.60           C  
-ATOM   2875  CG2 ILE A 212      25.949 -18.045  -4.218  1.00 60.01           C  
-ATOM   2876  CD1 ILE A 212      27.710 -14.956  -2.601  1.00 58.48           C  
-ATOM   2877  H   ILE A 212      23.498 -16.687  -4.112  1.00 48.62           H  
-ATOM   2878  HA  ILE A 212      25.430 -14.606  -4.069  1.00 51.79           H  
-ATOM   2879  HB  ILE A 212      25.579 -16.636  -2.676  1.00 52.34           H  
-ATOM   2880 HG13 ILE A 212      28.058 -16.136  -4.378  1.00 54.60           H  
-ATOM   2881 HG12 ILE A 212      28.023 -17.043  -2.927  1.00 54.60           H  
-ATOM   2882 HG21 ILE A 212      26.385 -18.762  -3.523  1.00 60.01           H  
-ATOM   2883 HG22 ILE A 212      24.914 -18.336  -4.359  1.00 60.01           H  
-ATOM   2884 HG23 ILE A 212      26.461 -18.145  -5.172  1.00 60.01           H  
-ATOM   2885 HD11 ILE A 212      28.751 -14.841  -2.298  1.00 58.48           H  
-ATOM   2886 HD12 ILE A 212      27.436 -14.066  -3.163  1.00 58.48           H  
-ATOM   2887 HD13 ILE A 212      27.104 -14.981  -1.695  1.00 58.48           H  
-ATOM   2888  N   TYR A 213      25.167 -16.198  -6.920  1.00 63.68           N  
-ATOM   2889  CA  TYR A 213      25.504 -16.059  -8.338  1.00 55.13           C  
-ATOM   2890  C   TYR A 213      25.251 -14.630  -8.822  1.00 46.95           C  
-ATOM   2891  O   TYR A 213      26.151 -14.033  -9.411  1.00 54.15           O  
-ATOM   2892  CB  TYR A 213      24.781 -17.091  -9.228  1.00 58.45           C  
-ATOM   2893  CG  TYR A 213      25.192 -17.003 -10.689  1.00 60.59           C  
-ATOM   2894  CD1 TYR A 213      24.636 -16.020 -11.532  1.00 59.65           C  
-ATOM   2895  CE1 TYR A 213      25.102 -15.854 -12.846  1.00 60.50           C  
-ATOM   2896  CZ  TYR A 213      26.100 -16.709 -13.342  1.00 61.10           C  
-ATOM   2897  OH  TYR A 213      26.565 -16.547 -14.611  1.00 65.17           O  
-ATOM   2898  CE2 TYR A 213      26.606 -17.736 -12.525  1.00 65.09           C  
-ATOM   2899  CD2 TYR A 213      26.159 -17.883 -11.202  1.00 61.47           C  
-ATOM   2900  H   TYR A 213      24.340 -16.734  -6.698  1.00 63.68           H  
-ATOM   2901  HA  TYR A 213      26.572 -16.241  -8.446  1.00 55.13           H  
-ATOM   2902  HB3 TYR A 213      23.702 -16.965  -9.188  1.00 58.45           H  
-ATOM   2903  HB2 TYR A 213      24.986 -18.096  -8.861  1.00 58.45           H  
-ATOM   2904  HD1 TYR A 213      23.877 -15.359 -11.152  1.00 59.65           H  
-ATOM   2905  HE1 TYR A 213      24.688 -15.078 -13.472  1.00 60.50           H  
-ATOM   2906  HH  TYR A 213      27.255 -17.173 -14.840  1.00 65.17           H  
-ATOM   2907  HE2 TYR A 213      27.348 -18.413 -12.905  1.00 65.09           H  
-ATOM   2908  HD2 TYR A 213      26.572 -18.661 -10.580  1.00 61.47           H  
-ATOM   2909  N   SER A 214      24.035 -14.123  -8.550  1.00 51.77           N  
-ATOM   2910  CA  SER A 214      23.603 -12.766  -8.876  1.00 54.48           C  
-ATOM   2911  C   SER A 214      24.534 -11.723  -8.251  1.00 54.26           C  
-ATOM   2912  O   SER A 214      24.957 -10.803  -8.946  1.00 58.38           O  
-ATOM   2913  CB  SER A 214      22.169 -12.537  -8.371  1.00 59.50           C  
-ATOM   2914  OG  SER A 214      21.284 -13.526  -8.842  1.00 52.57           O  
-ATOM   2915  H   SER A 214      23.354 -14.697  -8.070  1.00 51.77           H  
-ATOM   2916  HA  SER A 214      23.635 -12.655  -9.960  1.00 54.48           H  
-ATOM   2917  HB3 SER A 214      21.812 -11.565  -8.706  1.00 59.50           H  
-ATOM   2918  HB2 SER A 214      22.124 -12.536  -7.283  1.00 59.50           H  
-ATOM   2919  HG  SER A 214      21.346 -13.557  -9.804  1.00 52.57           H  
-ATOM   2920  N   TYR A 215      24.879 -11.940  -6.972  1.00 51.05           N  
-ATOM   2921  CA  TYR A 215      25.810 -11.130  -6.203  1.00 53.74           C  
-ATOM   2922  C   TYR A 215      27.216 -11.057  -6.813  1.00 53.39           C  
-ATOM   2923  O   TYR A 215      27.783  -9.970  -6.832  1.00 59.22           O  
-ATOM   2924  CB  TYR A 215      25.870 -11.644  -4.759  1.00 50.56           C  
-ATOM   2925  CG  TYR A 215      26.750 -10.805  -3.860  1.00 45.45           C  
-ATOM   2926  CD1 TYR A 215      26.270  -9.567  -3.399  1.00 56.87           C  
-ATOM   2927  CE1 TYR A 215      27.090  -8.746  -2.609  1.00 50.98           C  
-ATOM   2928  CZ  TYR A 215      28.397  -9.159  -2.296  1.00 50.36           C  
-ATOM   2929  OH  TYR A 215      29.204  -8.366  -1.546  1.00 47.37           O  
-ATOM   2930  CE2 TYR A 215      28.883 -10.390  -2.764  1.00 51.74           C  
-ATOM   2931  CD2 TYR A 215      28.058 -11.219  -3.541  1.00 49.05           C  
-ATOM   2932  H   TYR A 215      24.480 -12.732  -6.485  1.00 51.05           H  
-ATOM   2933  HA  TYR A 215      25.402 -10.118  -6.187  1.00 53.74           H  
-ATOM   2934  HB3 TYR A 215      26.231 -12.669  -4.743  1.00 50.56           H  
-ATOM   2935  HB2 TYR A 215      24.867 -11.662  -4.332  1.00 50.56           H  
-ATOM   2936  HD1 TYR A 215      25.279  -9.246  -3.671  1.00 56.87           H  
-ATOM   2937  HE1 TYR A 215      26.724  -7.797  -2.259  1.00 50.98           H  
-ATOM   2938  HH  TYR A 215      28.750  -7.587  -1.208  1.00 47.37           H  
-ATOM   2939  HE2 TYR A 215      29.894 -10.694  -2.543  1.00 51.74           H  
-ATOM   2940  HD2 TYR A 215      28.446 -12.153  -3.919  1.00 49.05           H  
-ATOM   2941  N   ALA A 216      27.753 -12.187  -7.301  1.00 57.04           N  
-ATOM   2942  CA  ALA A 216      29.064 -12.228  -7.948  1.00 56.89           C  
-ATOM   2943  C   ALA A 216      29.119 -11.423  -9.250  1.00 59.21           C  
-ATOM   2944  O   ALA A 216      30.112 -10.733  -9.476  1.00 52.62           O  
-ATOM   2945  CB  ALA A 216      29.480 -13.675  -8.188  1.00 59.75           C  
-ATOM   2946  H   ALA A 216      27.245 -13.060  -7.242  1.00 57.04           H  
-ATOM   2947  HA  ALA A 216      29.790 -11.786  -7.264  1.00 56.89           H  
-ATOM   2948  HB1 ALA A 216      30.351 -13.738  -8.838  1.00 59.75           H  
-ATOM   2949  HB2 ALA A 216      29.738 -14.126  -7.239  1.00 59.75           H  
-ATOM   2950  HB3 ALA A 216      28.684 -14.266  -8.641  1.00 59.75           H  
-ATOM   2951  N   VAL A 217      28.040 -11.477 -10.050  1.00 60.37           N  
-ATOM   2952  CA  VAL A 217      27.893 -10.663 -11.257  1.00 56.99           C  
-ATOM   2953  C   VAL A 217      27.728  -9.170 -10.921  1.00 57.82           C  
-ATOM   2954  O   VAL A 217      28.374  -8.351 -11.571  1.00 56.16           O  
-ATOM   2955  CB  VAL A 217      26.700 -11.117 -12.142  1.00 59.69           C  
-ATOM   2956  CG1 VAL A 217      26.417 -10.182 -13.339  1.00 55.70           C  
-ATOM   2957  CG2 VAL A 217      26.905 -12.550 -12.661  1.00 64.53           C  
-ATOM   2958  H   VAL A 217      27.259 -12.068  -9.801  1.00 60.37           H  
-ATOM   2959  HA  VAL A 217      28.807 -10.773 -11.844  1.00 56.99           H  
-ATOM   2960  HB  VAL A 217      25.805 -11.140 -11.520  1.00 59.69           H  
-ATOM   2961 HG11 VAL A 217      25.619 -10.576 -13.965  1.00 55.70           H  
-ATOM   2962 HG12 VAL A 217      26.098  -9.186 -13.037  1.00 55.70           H  
-ATOM   2963 HG13 VAL A 217      27.300 -10.069 -13.968  1.00 55.70           H  
-ATOM   2964 HG21 VAL A 217      26.045 -12.884 -13.240  1.00 64.53           H  
-ATOM   2965 HG22 VAL A 217      27.782 -12.616 -13.304  1.00 64.53           H  
-ATOM   2966 HG23 VAL A 217      27.037 -13.262 -11.848  1.00 64.53           H  
-ATOM   2967  N   ILE A 218      26.922  -8.843  -9.893  1.00 52.32           N  
-ATOM   2968  CA  ILE A 218      26.789  -7.481  -9.372  1.00 53.47           C  
-ATOM   2969  C   ILE A 218      28.141  -6.930  -8.877  1.00 54.35           C  
-ATOM   2970  O   ILE A 218      28.450  -5.784  -9.177  1.00 50.67           O  
-ATOM   2971  CB  ILE A 218      25.711  -7.361  -8.251  1.00 55.30           C  
-ATOM   2972  CG1 ILE A 218      24.293  -7.583  -8.825  1.00 55.59           C  
-ATOM   2973  CG2 ILE A 218      25.746  -6.028  -7.468  1.00 54.73           C  
-ATOM   2974  CD1 ILE A 218      23.218  -7.881  -7.769  1.00 58.50           C  
-ATOM   2975  H   ILE A 218      26.400  -9.564  -9.412  1.00 52.32           H  
-ATOM   2976  HA  ILE A 218      26.469  -6.853 -10.206  1.00 53.47           H  
-ATOM   2977  HB  ILE A 218      25.896  -8.160  -7.534  1.00 55.30           H  
-ATOM   2978 HG13 ILE A 218      24.300  -8.401  -9.541  1.00 55.59           H  
-ATOM   2979 HG12 ILE A 218      23.994  -6.707  -9.399  1.00 55.59           H  
-ATOM   2980 HG21 ILE A 218      24.889  -5.936  -6.804  1.00 54.73           H  
-ATOM   2981 HG22 ILE A 218      26.634  -5.939  -6.842  1.00 54.73           H  
-ATOM   2982 HG23 ILE A 218      25.730  -5.175  -8.144  1.00 54.73           H  
-ATOM   2983 HD11 ILE A 218      22.496  -8.601  -8.153  1.00 58.50           H  
-ATOM   2984 HD12 ILE A 218      23.642  -8.301  -6.858  1.00 58.50           H  
-ATOM   2985 HD13 ILE A 218      22.669  -6.979  -7.499  1.00 58.50           H  
-ATOM   2986  N   THR A 219      28.945  -7.768  -8.203  1.00 52.97           N  
-ATOM   2987  CA  THR A 219      30.286  -7.427  -7.727  1.00 51.66           C  
-ATOM   2988  C   THR A 219      31.252  -7.106  -8.874  1.00 53.31           C  
-ATOM   2989  O   THR A 219      31.922  -6.075  -8.810  1.00 61.33           O  
-ATOM   2990  CB  THR A 219      30.890  -8.536  -6.834  1.00 47.01           C  
-ATOM   2991  OG1 THR A 219      30.042  -8.726  -5.721  1.00 48.44           O  
-ATOM   2992  CG2 THR A 219      32.302  -8.257  -6.293  1.00 45.90           C  
-ATOM   2993  H   THR A 219      28.621  -8.704  -7.997  1.00 52.97           H  
-ATOM   2994  HA  THR A 219      30.202  -6.525  -7.132  1.00 51.66           H  
-ATOM   2995  HB  THR A 219      30.911  -9.478  -7.378  1.00 47.01           H  
-ATOM   2996  HG1 THR A 219      29.202  -9.083  -6.028  1.00 48.44           H  
-ATOM   2997 HG21 THR A 219      32.634  -9.066  -5.643  1.00 45.90           H  
-ATOM   2998 HG22 THR A 219      33.039  -8.167  -7.088  1.00 45.90           H  
-ATOM   2999 HG23 THR A 219      32.330  -7.337  -5.711  1.00 45.90           H  
-ATOM   3000  N   TRP A 220      31.230  -7.937  -9.931  1.00 60.98           N  
-ATOM   3001  CA  TRP A 220      31.937  -7.679 -11.181  1.00 62.16           C  
-ATOM   3002  C   TRP A 220      31.529  -6.338 -11.809  1.00 60.35           C  
-ATOM   3003  O   TRP A 220      32.406  -5.549 -12.148  1.00 57.28           O  
-ATOM   3004  CB  TRP A 220      31.750  -8.858 -12.156  1.00 61.75           C  
-ATOM   3005  CG  TRP A 220      32.489  -8.707 -13.450  1.00 64.78           C  
-ATOM   3006  CD1 TRP A 220      33.742  -9.150 -13.687  1.00 64.00           C  
-ATOM   3007  NE1 TRP A 220      34.143  -8.751 -14.942  1.00 68.71           N  
-ATOM   3008  CE2 TRP A 220      33.170  -8.013 -15.577  1.00 74.12           C  
-ATOM   3009  CD2 TRP A 220      32.091  -7.971 -14.644  1.00 62.93           C  
-ATOM   3010  CE3 TRP A 220      30.933  -7.261 -15.032  1.00 61.68           C  
-ATOM   3011  CZ3 TRP A 220      30.870  -6.607 -16.273  1.00 73.27           C  
-ATOM   3012  CH2 TRP A 220      31.942  -6.682 -17.181  1.00 64.48           C  
-ATOM   3013  CZ2 TRP A 220      33.103  -7.391 -16.833  1.00 69.95           C  
-ATOM   3014  H   TRP A 220      30.644  -8.761  -9.909  1.00 60.98           H  
-ATOM   3015  HA  TRP A 220      32.999  -7.605 -10.943  1.00 62.16           H  
-ATOM   3016  HB3 TRP A 220      30.698  -9.004 -12.391  1.00 61.75           H  
-ATOM   3017  HB2 TRP A 220      32.081  -9.783 -11.682  1.00 61.75           H  
-ATOM   3018  HD1 TRP A 220      34.331  -9.721 -12.985  1.00 64.00           H  
-ATOM   3019  HE1 TRP A 220      35.043  -8.989 -15.338  1.00 68.71           H  
-ATOM   3020  HE3 TRP A 220      30.089  -7.210 -14.363  1.00 61.68           H  
-ATOM   3021  HZ3 TRP A 220      29.988  -6.047 -16.528  1.00 73.27           H  
-ATOM   3022  HH2 TRP A 220      31.872  -6.191 -18.140  1.00 64.48           H  
-ATOM   3023  HZ2 TRP A 220      33.934  -7.452 -17.519  1.00 69.95           H  
-ATOM   3024  N   GLU A 221      30.214  -6.102 -11.917  1.00 51.31           N  
-ATOM   3025  CA  GLU A 221      29.631  -4.898 -12.494  1.00 54.73           C  
-ATOM   3026  C   GLU A 221      29.970  -3.630 -11.702  1.00 59.06           C  
-ATOM   3027  O   GLU A 221      30.307  -2.626 -12.322  1.00 63.32           O  
-ATOM   3028  CB  GLU A 221      28.129  -5.130 -12.658  1.00 56.35           C  
-ATOM   3029  CG  GLU A 221      27.344  -4.002 -13.364  1.00 58.55           C  
-ATOM   3030  CD  GLU A 221      25.875  -4.361 -13.601  1.00 65.71           C  
-ATOM   3031  OE1 GLU A 221      25.542  -5.551 -13.449  1.00 62.31           O  
-ATOM   3032  OE2 GLU A 221      25.084  -3.449 -13.916  1.00 71.61           O1-
-ATOM   3033  H   GLU A 221      29.557  -6.809 -11.610  1.00 51.31           H  
-ATOM   3034  HA  GLU A 221      30.050  -4.781 -13.494  1.00 54.73           H  
-ATOM   3035  HB3 GLU A 221      27.682  -5.322 -11.683  1.00 56.35           H  
-ATOM   3036  HB2 GLU A 221      28.023  -6.056 -13.226  1.00 56.35           H  
-ATOM   3037  HG3 GLU A 221      27.800  -3.780 -14.326  1.00 58.55           H  
-ATOM   3038  HG2 GLU A 221      27.390  -3.085 -12.781  1.00 58.55           H  
-ATOM   3039  N   VAL A 222      29.937  -3.705 -10.362  1.00 55.85           N  
-ATOM   3040  CA  VAL A 222      30.328  -2.614  -9.472  1.00 57.41           C  
-ATOM   3041  C   VAL A 222      31.816  -2.246  -9.604  1.00 57.38           C  
-ATOM   3042  O   VAL A 222      32.120  -1.057  -9.659  1.00 57.54           O  
-ATOM   3043  CB  VAL A 222      29.973  -2.898  -7.984  1.00 49.91           C  
-ATOM   3044  CG1 VAL A 222      30.642  -1.957  -6.963  1.00 53.54           C  
-ATOM   3045  CG2 VAL A 222      28.453  -2.848  -7.754  1.00 55.12           C  
-ATOM   3046  H   VAL A 222      29.628  -4.561  -9.917  1.00 55.85           H  
-ATOM   3047  HA  VAL A 222      29.766  -1.738  -9.784  1.00 57.41           H  
-ATOM   3048  HB  VAL A 222      30.301  -3.913  -7.759  1.00 49.91           H  
-ATOM   3049 HG11 VAL A 222      30.234  -2.106  -5.965  1.00 53.54           H  
-ATOM   3050 HG12 VAL A 222      31.714  -2.144  -6.892  1.00 53.54           H  
-ATOM   3051 HG13 VAL A 222      30.487  -0.910  -7.225  1.00 53.54           H  
-ATOM   3052 HG21 VAL A 222      28.186  -3.213  -6.763  1.00 55.12           H  
-ATOM   3053 HG22 VAL A 222      28.083  -1.827  -7.833  1.00 55.12           H  
-ATOM   3054 HG23 VAL A 222      27.902  -3.443  -8.480  1.00 55.12           H  
-ATOM   3055  N   LEU A 223      32.708  -3.245  -9.674  1.00 59.46           N  
-ATOM   3056  CA  LEU A 223      34.151  -3.014  -9.743  1.00 64.94           C  
-ATOM   3057  C   LEU A 223      34.648  -2.611 -11.141  1.00 65.97           C  
-ATOM   3058  O   LEU A 223      35.688  -1.958 -11.220  1.00 68.81           O  
-ATOM   3059  CB  LEU A 223      34.897  -4.252  -9.212  1.00 65.44           C  
-ATOM   3060  CG  LEU A 223      34.717  -4.501  -7.699  1.00 64.85           C  
-ATOM   3061  CD1 LEU A 223      35.392  -5.821  -7.286  1.00 61.25           C  
-ATOM   3062  CD2 LEU A 223      35.207  -3.322  -6.835  1.00 62.36           C  
-ATOM   3063  H   LEU A 223      32.399  -4.208  -9.624  1.00 59.46           H  
-ATOM   3064  HA  LEU A 223      34.386  -2.172  -9.093  1.00 64.94           H  
-ATOM   3065  HB3 LEU A 223      35.963  -4.152  -9.414  1.00 65.44           H  
-ATOM   3066  HB2 LEU A 223      34.566  -5.129  -9.770  1.00 65.44           H  
-ATOM   3067  HG  LEU A 223      33.652  -4.620  -7.500  1.00 64.85           H  
-ATOM   3068 HD11 LEU A 223      34.723  -6.416  -6.664  1.00 61.25           H  
-ATOM   3069 HD12 LEU A 223      35.659  -6.435  -8.147  1.00 61.25           H  
-ATOM   3070 HD13 LEU A 223      36.309  -5.659  -6.720  1.00 61.25           H  
-ATOM   3071 HD21 LEU A 223      35.680  -3.657  -5.912  1.00 62.36           H  
-ATOM   3072 HD22 LEU A 223      35.941  -2.714  -7.362  1.00 62.36           H  
-ATOM   3073 HD23 LEU A 223      34.377  -2.677  -6.549  1.00 62.36           H  
-ATOM   3074  N   SER A 224      33.905  -2.976 -12.198  1.00 60.99           N  
-ATOM   3075  CA  SER A 224      34.237  -2.672 -13.589  1.00 64.52           C  
-ATOM   3076  C   SER A 224      33.584  -1.380 -14.102  1.00 67.57           C  
-ATOM   3077  O   SER A 224      34.184  -0.709 -14.941  1.00 70.86           O  
-ATOM   3078  CB  SER A 224      33.864  -3.881 -14.482  1.00 60.13           C  
-ATOM   3079  OG  SER A 224      32.469  -4.093 -14.566  1.00 61.44           O  
-ATOM   3080  H   SER A 224      33.072  -3.531 -12.049  1.00 60.99           H  
-ATOM   3081  HA  SER A 224      35.315  -2.530 -13.663  1.00 64.52           H  
-ATOM   3082  HB3 SER A 224      34.329  -4.795 -14.113  1.00 60.13           H  
-ATOM   3083  HB2 SER A 224      34.242  -3.735 -15.493  1.00 60.13           H  
-ATOM   3084  HG  SER A 224      32.204  -4.625 -13.809  1.00 61.44           H  
-ATOM   3085  N   ARG A 225      32.346  -1.100 -13.651  1.00 66.43           N  
-ATOM   3086  CA  ARG A 225      31.371  -0.182 -14.265  1.00 69.68           C  
-ATOM   3087  C   ARG A 225      31.063  -0.504 -15.735  1.00 69.88           C  
-ATOM   3088  O   ARG A 225      30.634   0.381 -16.470  1.00 68.98           O  
-ATOM   3089  CB  ARG A 225      31.757   1.301 -14.105  1.00 66.02           C  
-ATOM   3090  CG  ARG A 225      31.769   1.768 -12.656  1.00 62.22           C  
-ATOM   3091  CD  ARG A 225      32.005   3.276 -12.518  1.00 69.86           C  
-ATOM   3092  NE  ARG A 225      30.797   4.067 -12.775  1.00 64.10           N  
-ATOM   3093  CZ  ARG A 225      30.693   5.403 -12.757  1.00 61.50           C  
-ATOM   3094  NH1 ARG A 225      31.765   6.186 -12.593  1.00 58.51           N  
-ATOM   3095  NH2 ARG A 225      29.494   5.966 -12.912  1.00 64.53           N1+
-ATOM   3096  H   ARG A 225      31.945  -1.715 -12.955  1.00 66.43           H  
-ATOM   3097  HA  ARG A 225      30.428  -0.340 -13.739  1.00 69.68           H  
-ATOM   3098  HB3 ARG A 225      31.036   1.931 -14.626  1.00 66.02           H  
-ATOM   3099  HB2 ARG A 225      32.721   1.496 -14.573  1.00 66.02           H  
-ATOM   3100  HG3 ARG A 225      32.473   1.197 -12.063  1.00 62.22           H  
-ATOM   3101  HG2 ARG A 225      30.787   1.530 -12.248  1.00 62.22           H  
-ATOM   3102  HD3 ARG A 225      32.703   3.574 -13.298  1.00 69.86           H  
-ATOM   3103  HD2 ARG A 225      32.468   3.530 -11.568  1.00 69.86           H  
-ATOM   3104  HE  ARG A 225      29.962   3.538 -12.997  1.00 64.10           H  
-ATOM   3105 HH12 ARG A 225      31.666   7.193 -12.597  1.00 58.51           H  
-ATOM   3106 HH11 ARG A 225      32.689   5.780 -12.535  1.00 58.51           H  
-ATOM   3107 HH22 ARG A 225      29.412   6.975 -12.917  1.00 64.53           H  
-ATOM   3108 HH21 ARG A 225      28.656   5.402 -12.961  1.00 64.53           H  
-ATOM   3109  N   LYS A 226      31.272  -1.756 -16.150  1.00 75.27           N  
-ATOM   3110  CA  LYS A 226      30.939  -2.224 -17.485  1.00 72.33           C  
-ATOM   3111  C   LYS A 226      29.639  -3.011 -17.401  1.00 68.18           C  
-ATOM   3112  O   LYS A 226      29.331  -3.582 -16.354  1.00 72.53           O  
-ATOM   3113  CB  LYS A 226      32.099  -3.071 -18.033  1.00 71.37           C  
-ATOM   3114  CG  LYS A 226      33.387  -2.247 -18.167  1.00 69.57           C  
-ATOM   3115  CD  LYS A 226      34.409  -2.855 -19.135  1.00 79.06           C  
-ATOM   3116  CE  LYS A 226      35.764  -2.127 -19.123  1.00 88.98           C  
-ATOM   3117  NZ  LYS A 226      35.670  -0.711 -19.513  1.00 89.42           N1+
-ATOM   3118  H   LYS A 226      31.617  -2.456 -15.506  1.00 75.27           H  
-ATOM   3119  HA  LYS A 226      30.780  -1.389 -18.170  1.00 72.33           H  
-ATOM   3120  HB3 LYS A 226      31.817  -3.456 -19.013  1.00 71.37           H  
-ATOM   3121  HB2 LYS A 226      32.283  -3.938 -17.402  1.00 71.37           H  
-ATOM   3122  HG3 LYS A 226      33.844  -2.133 -17.186  1.00 69.57           H  
-ATOM   3123  HG2 LYS A 226      33.130  -1.241 -18.498  1.00 69.57           H  
-ATOM   3124  HD3 LYS A 226      34.001  -2.857 -20.146  1.00 79.06           H  
-ATOM   3125  HD2 LYS A 226      34.567  -3.903 -18.878  1.00 79.06           H  
-ATOM   3126  HE3 LYS A 226      36.458  -2.631 -19.795  1.00 88.98           H  
-ATOM   3127  HE2 LYS A 226      36.191  -2.158 -18.123  1.00 88.98           H  
-ATOM   3128  HZ1 LYS A 226      35.058  -0.226 -18.873  1.00 89.42           H  
-ATOM   3129  HZ2 LYS A 226      36.591  -0.297 -19.486  1.00 89.42           H  
-ATOM   3130  HZ3 LYS A 226      35.300  -0.650 -20.450  1.00 89.42           H  
-ATOM   3131  N   GLN A 227      28.896  -3.033 -18.514  1.00 81.61           N  
-ATOM   3132  CA  GLN A 227      27.737  -3.906 -18.653  1.00 85.24           C  
-ATOM   3133  C   GLN A 227      28.304  -5.328 -18.860  1.00 80.71           C  
-ATOM   3134  O   GLN A 227      29.164  -5.494 -19.729  1.00 84.48           O  
-ATOM   3135  CB  GLN A 227      26.901  -3.437 -19.864  1.00 96.21           C  
-ATOM   3136  CG  GLN A 227      25.403  -3.808 -19.756  1.00103.85           C  
-ATOM   3137  CD  GLN A 227      24.613  -3.024 -18.696  1.00102.34           C  
-ATOM   3138  OE1 GLN A 227      23.712  -3.571 -18.064  1.00 94.57           O  
-ATOM   3139  NE2 GLN A 227      24.921  -1.739 -18.506  1.00 86.01           N  
-ATOM   3140  H   GLN A 227      29.209  -2.555 -19.347  1.00 81.61           H  
-ATOM   3141  HA  GLN A 227      27.134  -3.802 -17.753  1.00 85.24           H  
-ATOM   3142  HB3 GLN A 227      27.302  -3.863 -20.785  1.00 96.21           H  
-ATOM   3143  HB2 GLN A 227      27.000  -2.360 -19.998  1.00 96.21           H  
-ATOM   3144  HG3 GLN A 227      25.298  -4.877 -19.567  1.00103.85           H  
-ATOM   3145  HG2 GLN A 227      24.923  -3.624 -20.716  1.00103.85           H  
-ATOM   3146 HE22 GLN A 227      24.422  -1.198 -17.815  1.00 86.01           H  
-ATOM   3147 HE21 GLN A 227      25.656  -1.303 -19.041  1.00 86.01           H  
-ATOM   3148  N   PRO A 228      27.882  -6.321 -18.042  1.00 81.24           N  
-ATOM   3149  CA  PRO A 228      28.260  -7.727 -18.273  1.00 84.57           C  
-ATOM   3150  C   PRO A 228      27.788  -8.178 -19.655  1.00 83.73           C  
-ATOM   3151  O   PRO A 228      26.613  -7.979 -19.963  1.00 86.10           O  
-ATOM   3152  CB  PRO A 228      27.539  -8.508 -17.158  1.00 83.65           C  
-ATOM   3153  CG  PRO A 228      27.141  -7.478 -16.120  1.00 85.48           C  
-ATOM   3154  CD  PRO A 228      26.966  -6.193 -16.911  1.00 84.41           C  
-ATOM   3155  HA  PRO A 228      29.341  -7.835 -18.176  1.00 84.57           H  
-ATOM   3156  HB3 PRO A 228      28.160  -9.285 -16.721  1.00 83.65           H  
-ATOM   3157  HB2 PRO A 228      26.633  -8.993 -17.526  1.00 83.65           H  
-ATOM   3158  HG3 PRO A 228      27.965  -7.348 -15.419  1.00 85.48           H  
-ATOM   3159  HG2 PRO A 228      26.262  -7.756 -15.538  1.00 85.48           H  
-ATOM   3160  HD2 PRO A 228      25.947  -6.095 -17.285  1.00 84.41           H  
-ATOM   3161  HD3 PRO A 228      27.184  -5.341 -16.269  1.00 84.41           H  
-ATOM   3162  N   PHE A 229      28.709  -8.720 -20.468  1.00 86.05           N  
-ATOM   3163  CA  PHE A 229      28.444  -9.161 -21.841  1.00 87.30           C  
-ATOM   3164  C   PHE A 229      28.016  -7.969 -22.723  1.00 93.29           C  
-ATOM   3165  O   PHE A 229      26.918  -7.981 -23.279  1.00 92.76           O  
-ATOM   3166  CB  PHE A 229      27.365 -10.276 -21.864  1.00 80.34           C  
-ATOM   3167  CG  PHE A 229      27.560 -11.427 -20.901  1.00 81.69           C  
-ATOM   3168  CD1 PHE A 229      28.560 -12.388 -21.142  1.00 88.28           C  
-ATOM   3169  CE1 PHE A 229      28.733 -13.439 -20.254  1.00 82.42           C  
-ATOM   3170  CZ  PHE A 229      27.940 -13.531 -19.118  1.00 77.81           C  
-ATOM   3171  CD2 PHE A 229      26.798 -11.503 -19.715  1.00 77.24           C  
-ATOM   3172  CE2 PHE A 229      26.989 -12.560 -18.839  1.00 71.42           C  
-ATOM   3173  H   PHE A 229      29.657  -8.830 -20.141  1.00 86.05           H  
-ATOM   3174  HA  PHE A 229      29.376  -9.562 -22.238  1.00 87.30           H  
-ATOM   3175  HB3 PHE A 229      27.326 -10.697 -22.869  1.00 80.34           H  
-ATOM   3176  HB2 PHE A 229      26.368  -9.869 -21.689  1.00 80.34           H  
-ATOM   3177  HD1 PHE A 229      29.179 -12.324 -22.025  1.00 88.28           H  
-ATOM   3178  HE1 PHE A 229      29.485 -14.190 -20.446  1.00 82.42           H  
-ATOM   3179  HZ  PHE A 229      28.075 -14.359 -18.442  1.00 77.81           H  
-ATOM   3180  HD2 PHE A 229      26.049 -10.755 -19.497  1.00 77.24           H  
-ATOM   3181  HE2 PHE A 229      26.391 -12.631 -17.942  1.00 71.42           H  
-ATOM   3182  N   GLU A 230      28.869  -6.933 -22.800  1.00110.48           N  
-ATOM   3183  CA  GLU A 230      28.578  -5.705 -23.548  1.00122.67           C  
-ATOM   3184  C   GLU A 230      28.574  -5.909 -25.075  1.00123.82           C  
-ATOM   3185  O   GLU A 230      27.891  -5.160 -25.770  1.00128.80           O  
-ATOM   3186  CB  GLU A 230      29.543  -4.590 -23.093  1.00128.10           C  
-ATOM   3187  CG  GLU A 230      31.029  -4.804 -23.467  1.00128.83           C  
-ATOM   3188  CD  GLU A 230      32.049  -3.957 -22.689  1.00122.83           C  
-ATOM   3189  OE1 GLU A 230      33.254  -4.158 -22.952  1.00118.43           O  
-ATOM   3190  OE2 GLU A 230      31.642  -3.131 -21.841  1.00127.28           O1-
-ATOM   3191  H   GLU A 230      29.743  -6.955 -22.296  1.00110.48           H  
-ATOM   3192  HA  GLU A 230      27.572  -5.387 -23.268  1.00122.67           H  
-ATOM   3193  HB3 GLU A 230      29.430  -4.473 -22.018  1.00128.10           H  
-ATOM   3194  HB2 GLU A 230      29.210  -3.641 -23.515  1.00128.10           H  
-ATOM   3195  HG3 GLU A 230      31.152  -4.567 -24.521  1.00128.83           H  
-ATOM   3196  HG2 GLU A 230      31.302  -5.852 -23.347  1.00128.83           H  
-ATOM   3197  N   ASP A 231      29.302  -6.930 -25.557  1.00120.43           N  
-ATOM   3198  CA  ASP A 231      29.463  -7.264 -26.976  1.00117.90           C  
-ATOM   3199  C   ASP A 231      28.347  -8.165 -27.536  1.00118.92           C  
-ATOM   3200  O   ASP A 231      28.430  -8.525 -28.710  1.00128.61           O  
-ATOM   3201  CB  ASP A 231      30.845  -7.908 -27.272  1.00128.37           C  
-ATOM   3202  CG  ASP A 231      32.090  -7.092 -26.881  1.00139.50           C  
-ATOM   3203  OD1 ASP A 231      31.960  -5.882 -26.600  1.00126.83           O  
-ATOM   3204  OD2 ASP A 231      33.189  -7.680 -26.967  1.00145.75           O1-
-ATOM   3205  H   ASP A 231      29.840  -7.489 -24.913  1.00120.43           H  
-ATOM   3206  HA  ASP A 231      29.406  -6.338 -27.551  1.00117.90           H  
-ATOM   3207  HB3 ASP A 231      30.939  -8.116 -28.338  1.00128.37           H  
-ATOM   3208  HB2 ASP A 231      30.908  -8.868 -26.757  1.00128.37           H  
-ATOM   3209  N   VAL A 232      27.348  -8.543 -26.718  1.00108.81           N  
-ATOM   3210  CA  VAL A 232      26.346  -9.536 -27.100  1.00108.39           C  
-ATOM   3211  C   VAL A 232      24.987  -8.895 -27.420  1.00107.54           C  
-ATOM   3212  O   VAL A 232      24.400  -8.207 -26.585  1.00 88.53           O  
-ATOM   3213  CB  VAL A 232      26.176 -10.634 -26.023  1.00105.12           C  
-ATOM   3214  CG1 VAL A 232      24.960 -11.537 -26.280  1.00 93.17           C  
-ATOM   3215  CG2 VAL A 232      27.441 -11.505 -25.933  1.00106.32           C  
-ATOM   3216  H   VAL A 232      27.308  -8.195 -25.771  1.00108.81           H  
-ATOM   3217  HA  VAL A 232      26.678 -10.059 -28.000  1.00108.39           H  
-ATOM   3218  HB  VAL A 232      26.041 -10.161 -25.050  1.00105.12           H  
-ATOM   3219 HG11 VAL A 232      25.083 -12.518 -25.828  1.00 93.17           H  
-ATOM   3220 HG12 VAL A 232      24.045 -11.089 -25.894  1.00 93.17           H  
-ATOM   3221 HG13 VAL A 232      24.825 -11.721 -27.345  1.00 93.17           H  
-ATOM   3222 HG21 VAL A 232      27.345 -12.258 -25.151  1.00106.32           H  
-ATOM   3223 HG22 VAL A 232      27.636 -12.023 -26.872  1.00106.32           H  
-ATOM   3224 HG23 VAL A 232      28.320 -10.907 -25.695  1.00106.32           H  
-ATOM   3225  N   THR A 233      24.524  -9.189 -28.641  1.00126.69           N  
-ATOM   3226  CA  THR A 233      23.306  -8.671 -29.242  1.00131.10           C  
-ATOM   3227  C   THR A 233      22.028  -9.327 -28.670  1.00121.53           C  
-ATOM   3228  O   THR A 233      21.141  -8.590 -28.240  1.00124.32           O  
-ATOM   3229  CB  THR A 233      23.376  -8.836 -30.786  1.00130.98           C  
-ATOM   3230  OG1 THR A 233      23.454 -10.189 -31.193  1.00130.74           O  
-ATOM   3231  CG2 THR A 233      24.572  -8.099 -31.412  1.00115.50           C  
-ATOM   3232  H   THR A 233      25.076  -9.782 -29.243  1.00126.69           H  
-ATOM   3233  HA  THR A 233      23.255  -7.603 -29.021  1.00131.10           H  
-ATOM   3234  HB  THR A 233      22.463  -8.425 -31.218  1.00130.98           H  
-ATOM   3235  HG1 THR A 233      23.604 -10.205 -32.141  1.00130.74           H  
-ATOM   3236 HG21 THR A 233      24.558  -8.180 -32.498  1.00115.50           H  
-ATOM   3237 HG22 THR A 233      24.548  -7.037 -31.164  1.00115.50           H  
-ATOM   3238 HG23 THR A 233      25.526  -8.496 -31.064  1.00115.50           H  
-ATOM   3239  N   ASN A 234      21.956 -10.670 -28.638  1.00 98.75           N  
-ATOM   3240  CA  ASN A 234      20.761 -11.416 -28.229  1.00 86.62           C  
-ATOM   3241  C   ASN A 234      20.948 -11.966 -26.796  1.00 86.10           C  
-ATOM   3242  O   ASN A 234      22.001 -12.544 -26.533  1.00 81.43           O  
-ATOM   3243  CB  ASN A 234      20.555 -12.578 -29.237  1.00 80.78           C  
-ATOM   3244  CG  ASN A 234      19.145 -13.192 -29.229  1.00 90.97           C  
-ATOM   3245  OD1 ASN A 234      18.576 -13.466 -28.177  1.00 83.43           O  
-ATOM   3246  ND2 ASN A 234      18.578 -13.444 -30.410  1.00 94.13           N  
-ATOM   3247  H   ASN A 234      22.736 -11.213 -28.978  1.00 98.75           H  
-ATOM   3248  HA  ASN A 234      19.890 -10.768 -28.279  1.00 86.62           H  
-ATOM   3249  HB3 ASN A 234      21.293 -13.367 -29.086  1.00 80.78           H  
-ATOM   3250  HB2 ASN A 234      20.728 -12.196 -30.243  1.00 80.78           H  
-ATOM   3251 HD22 ASN A 234      17.657 -13.855 -30.448  1.00 94.13           H  
-ATOM   3252 HD21 ASN A 234      19.058 -13.222 -31.269  1.00 94.13           H  
-ATOM   3253  N   PRO A 235      19.935 -11.849 -25.900  1.00 82.09           N  
-ATOM   3254  CA  PRO A 235      19.970 -12.528 -24.586  1.00 84.71           C  
-ATOM   3255  C   PRO A 235      20.173 -14.056 -24.614  1.00 89.13           C  
-ATOM   3256  O   PRO A 235      20.738 -14.583 -23.661  1.00 86.42           O  
-ATOM   3257  CB  PRO A 235      18.637 -12.153 -23.916  1.00 81.69           C  
-ATOM   3258  CG  PRO A 235      17.731 -11.706 -25.048  1.00 85.89           C  
-ATOM   3259  CD  PRO A 235      18.692 -11.087 -26.052  1.00 83.93           C  
-ATOM   3260  HA  PRO A 235      20.789 -12.107 -24.002  1.00 84.71           H  
-ATOM   3261  HB3 PRO A 235      18.807 -11.317 -23.237  1.00 81.69           H  
-ATOM   3262  HB2 PRO A 235      18.191 -12.955 -23.326  1.00 81.69           H  
-ATOM   3263  HG3 PRO A 235      16.941 -11.025 -24.729  1.00 85.89           H  
-ATOM   3264  HG2 PRO A 235      17.258 -12.581 -25.496  1.00 85.89           H  
-ATOM   3265  HD2 PRO A 235      18.243 -11.124 -27.041  1.00 83.93           H  
-ATOM   3266  HD3 PRO A 235      18.893 -10.043 -25.806  1.00 83.93           H  
-ATOM   3267  N   LEU A 236      19.755 -14.734 -25.696  1.00 87.76           N  
-ATOM   3268  CA  LEU A 236      19.965 -16.171 -25.893  1.00 80.35           C  
-ATOM   3269  C   LEU A 236      21.445 -16.542 -26.058  1.00 78.04           C  
-ATOM   3270  O   LEU A 236      21.834 -17.606 -25.582  1.00 84.48           O  
-ATOM   3271  CB  LEU A 236      19.161 -16.668 -27.109  1.00 85.74           C  
-ATOM   3272  CG  LEU A 236      17.634 -16.650 -26.904  1.00 96.08           C  
-ATOM   3273  CD1 LEU A 236      16.905 -16.851 -28.239  1.00116.92           C  
-ATOM   3274  CD2 LEU A 236      17.172 -17.678 -25.852  1.00 98.62           C  
-ATOM   3275  H   LEU A 236      19.288 -14.245 -26.447  1.00 87.76           H  
-ATOM   3276  HA  LEU A 236      19.607 -16.681 -24.999  1.00 80.35           H  
-ATOM   3277  HB3 LEU A 236      19.459 -17.688 -27.362  1.00 85.74           H  
-ATOM   3278  HB2 LEU A 236      19.429 -16.065 -27.977  1.00 85.74           H  
-ATOM   3279  HG  LEU A 236      17.355 -15.658 -26.549  1.00 96.08           H  
-ATOM   3280 HD11 LEU A 236      15.841 -16.638 -28.137  1.00116.92           H  
-ATOM   3281 HD12 LEU A 236      17.295 -16.188 -29.010  1.00116.92           H  
-ATOM   3282 HD13 LEU A 236      17.006 -17.875 -28.599  1.00116.92           H  
-ATOM   3283 HD21 LEU A 236      16.421 -18.362 -26.249  1.00 98.62           H  
-ATOM   3284 HD22 LEU A 236      17.993 -18.291 -25.482  1.00 98.62           H  
-ATOM   3285 HD23 LEU A 236      16.729 -17.176 -24.992  1.00 98.62           H  
-ATOM   3286  N   GLN A 237      22.249 -15.660 -26.679  1.00 69.94           N  
-ATOM   3287  CA  GLN A 237      23.702 -15.818 -26.755  1.00 73.33           C  
-ATOM   3288  C   GLN A 237      24.372 -15.752 -25.378  1.00 74.72           C  
-ATOM   3289  O   GLN A 237      25.246 -16.578 -25.122  1.00 92.20           O  
-ATOM   3290  CB  GLN A 237      24.327 -14.788 -27.706  1.00 73.05           C  
-ATOM   3291  CG  GLN A 237      24.052 -15.065 -29.187  1.00 88.71           C  
-ATOM   3292  CD  GLN A 237      24.642 -13.960 -30.058  1.00 91.28           C  
-ATOM   3293  OE1 GLN A 237      25.853 -13.891 -30.251  1.00 93.70           O  
-ATOM   3294  NE2 GLN A 237      23.785 -13.087 -30.582  1.00 89.08           N  
-ATOM   3295  H   GLN A 237      21.870 -14.790 -27.022  1.00 69.94           H  
-ATOM   3296  HA  GLN A 237      23.901 -16.811 -27.163  1.00 73.33           H  
-ATOM   3297  HB3 GLN A 237      25.408 -14.747 -27.554  1.00 73.05           H  
-ATOM   3298  HB2 GLN A 237      23.950 -13.802 -27.458  1.00 73.05           H  
-ATOM   3299  HG3 GLN A 237      22.980 -15.153 -29.369  1.00 88.71           H  
-ATOM   3300  HG2 GLN A 237      24.495 -16.018 -29.480  1.00 88.71           H  
-ATOM   3301 HE22 GLN A 237      24.123 -12.322 -31.148  1.00 89.08           H  
-ATOM   3302 HE21 GLN A 237      22.795 -13.177 -30.415  1.00 89.08           H  
-ATOM   3303  N   ILE A 238      23.921 -14.826 -24.507  1.00 80.81           N  
-ATOM   3304  CA  ILE A 238      24.356 -14.746 -23.108  1.00 81.29           C  
-ATOM   3305  C   ILE A 238      24.060 -16.062 -22.377  1.00 75.27           C  
-ATOM   3306  O   ILE A 238      24.995 -16.680 -21.877  1.00 75.93           O  
-ATOM   3307  CB  ILE A 238      23.719 -13.558 -22.316  1.00 73.32           C  
-ATOM   3308  CG1 ILE A 238      24.276 -12.208 -22.797  1.00 77.72           C  
-ATOM   3309  CG2 ILE A 238      23.869 -13.647 -20.780  1.00 70.13           C  
-ATOM   3310  CD1 ILE A 238      23.338 -11.012 -22.591  1.00 72.95           C  
-ATOM   3311  H   ILE A 238      23.191 -14.188 -24.787  1.00 80.81           H  
-ATOM   3312  HA  ILE A 238      25.440 -14.606 -23.113  1.00 81.29           H  
-ATOM   3313  HB  ILE A 238      22.654 -13.548 -22.529  1.00 73.32           H  
-ATOM   3314 HG13 ILE A 238      24.480 -12.274 -23.853  1.00 77.72           H  
-ATOM   3315 HG12 ILE A 238      25.241 -12.020 -22.332  1.00 77.72           H  
-ATOM   3316 HG21 ILE A 238      23.515 -12.741 -20.289  1.00 70.13           H  
-ATOM   3317 HG22 ILE A 238      23.301 -14.470 -20.350  1.00 70.13           H  
-ATOM   3318 HG23 ILE A 238      24.913 -13.782 -20.499  1.00 70.13           H  
-ATOM   3319 HD11 ILE A 238      23.901 -10.124 -22.301  1.00 72.95           H  
-ATOM   3320 HD12 ILE A 238      22.805 -10.775 -23.511  1.00 72.95           H  
-ATOM   3321 HD13 ILE A 238      22.593 -11.198 -21.818  1.00 72.95           H  
-ATOM   3322  N   MET A 239      22.785 -16.490 -22.415  1.00 65.13           N  
-ATOM   3323  CA  MET A 239      22.306 -17.741 -21.829  1.00 71.10           C  
-ATOM   3324  C   MET A 239      23.027 -18.996 -22.338  1.00 81.83           C  
-ATOM   3325  O   MET A 239      23.181 -19.943 -21.573  1.00 88.37           O  
-ATOM   3326  CB  MET A 239      20.793 -17.893 -22.043  1.00 73.86           C  
-ATOM   3327  CG  MET A 239      19.940 -16.902 -21.243  1.00 78.82           C  
-ATOM   3328  SD  MET A 239      18.156 -17.084 -21.506  1.00 82.59           S  
-ATOM   3329  CE  MET A 239      17.888 -18.773 -20.908  1.00 93.12           C  
-ATOM   3330  H   MET A 239      22.087 -15.923 -22.878  1.00 65.13           H  
-ATOM   3331  HA  MET A 239      22.503 -17.679 -20.765  1.00 71.10           H  
-ATOM   3332  HB3 MET A 239      20.504 -18.903 -21.754  1.00 73.86           H  
-ATOM   3333  HB2 MET A 239      20.556 -17.809 -23.103  1.00 73.86           H  
-ATOM   3334  HG3 MET A 239      20.213 -15.879 -21.495  1.00 78.82           H  
-ATOM   3335  HG2 MET A 239      20.138 -17.013 -20.179  1.00 78.82           H  
-ATOM   3336  HE1 MET A 239      16.820 -18.985 -20.857  1.00 93.12           H  
-ATOM   3337  HE2 MET A 239      18.345 -19.507 -21.571  1.00 93.12           H  
-ATOM   3338  HE3 MET A 239      18.305 -18.883 -19.914  1.00 93.12           H  
-ATOM   3339  N   TYR A 240      23.476 -18.985 -23.600  1.00 79.03           N  
-ATOM   3340  CA  TYR A 240      24.243 -20.075 -24.185  1.00 78.63           C  
-ATOM   3341  C   TYR A 240      25.694 -20.074 -23.685  1.00 73.66           C  
-ATOM   3342  O   TYR A 240      26.166 -21.121 -23.259  1.00 78.03           O  
-ATOM   3343  CB  TYR A 240      24.138 -20.040 -25.718  1.00 78.61           C  
-ATOM   3344  CG  TYR A 240      24.924 -21.137 -26.412  1.00 73.94           C  
-ATOM   3345  CD1 TYR A 240      24.364 -22.422 -26.561  1.00 80.11           C  
-ATOM   3346  CE1 TYR A 240      25.107 -23.448 -27.175  1.00 80.64           C  
-ATOM   3347  CZ  TYR A 240      26.414 -23.192 -27.634  1.00 77.39           C  
-ATOM   3348  OH  TYR A 240      27.138 -24.182 -28.229  1.00 82.81           O  
-ATOM   3349  CE2 TYR A 240      26.977 -21.912 -27.479  1.00 75.81           C  
-ATOM   3350  CD2 TYR A 240      26.231 -20.884 -26.874  1.00 72.36           C  
-ATOM   3351  H   TYR A 240      23.294 -18.187 -24.192  1.00 79.03           H  
-ATOM   3352  HA  TYR A 240      23.786 -21.012 -23.864  1.00 78.63           H  
-ATOM   3353  HB3 TYR A 240      24.477 -19.075 -26.097  1.00 78.61           H  
-ATOM   3354  HB2 TYR A 240      23.092 -20.124 -26.016  1.00 78.61           H  
-ATOM   3355  HD1 TYR A 240      23.368 -22.626 -26.198  1.00 80.11           H  
-ATOM   3356  HE1 TYR A 240      24.673 -24.430 -27.286  1.00 80.64           H  
-ATOM   3357  HH  TYR A 240      26.666 -25.015 -28.284  1.00 82.81           H  
-ATOM   3358  HE2 TYR A 240      27.980 -21.714 -27.826  1.00 75.81           H  
-ATOM   3359  HD2 TYR A 240      26.671 -19.906 -26.754  1.00 72.36           H  
-ATOM   3360  N   SER A 241      26.365 -18.909 -23.702  1.00 76.14           N  
-ATOM   3361  CA  SER A 241      27.707 -18.730 -23.142  1.00 88.52           C  
-ATOM   3362  C   SER A 241      27.786 -19.175 -21.674  1.00 90.93           C  
-ATOM   3363  O   SER A 241      28.645 -19.984 -21.334  1.00 89.29           O  
-ATOM   3364  CB  SER A 241      28.168 -17.263 -23.307  1.00 83.03           C  
-ATOM   3365  OG  SER A 241      29.084 -17.148 -24.374  1.00 95.12           O  
-ATOM   3366  H   SER A 241      25.917 -18.079 -24.068  1.00 76.14           H  
-ATOM   3367  HA  SER A 241      28.381 -19.384 -23.699  1.00 88.52           H  
-ATOM   3368  HB3 SER A 241      28.676 -16.896 -22.414  1.00 83.03           H  
-ATOM   3369  HB2 SER A 241      27.328 -16.588 -23.469  1.00 83.03           H  
-ATOM   3370  HG  SER A 241      28.606 -17.260 -25.198  1.00 95.12           H  
-ATOM   3371  N   VAL A 242      26.845 -18.685 -20.854  1.00 83.36           N  
-ATOM   3372  CA  VAL A 242      26.756 -18.969 -19.426  1.00 87.49           C  
-ATOM   3373  C   VAL A 242      26.552 -20.463 -19.108  1.00 88.58           C  
-ATOM   3374  O   VAL A 242      27.281 -20.990 -18.268  1.00 95.84           O  
-ATOM   3375  CB  VAL A 242      25.682 -18.080 -18.748  1.00 73.23           C  
-ATOM   3376  CG1 VAL A 242      25.306 -18.481 -17.309  1.00 71.84           C  
-ATOM   3377  CG2 VAL A 242      26.111 -16.601 -18.751  1.00 72.95           C  
-ATOM   3378  H   VAL A 242      26.153 -18.044 -21.221  1.00 83.36           H  
-ATOM   3379  HA  VAL A 242      27.715 -18.703 -19.000  1.00 87.49           H  
-ATOM   3380  HB  VAL A 242      24.782 -18.146 -19.357  1.00 73.23           H  
-ATOM   3381 HG11 VAL A 242      24.707 -17.712 -16.823  1.00 71.84           H  
-ATOM   3382 HG12 VAL A 242      24.712 -19.390 -17.293  1.00 71.84           H  
-ATOM   3383 HG13 VAL A 242      26.185 -18.634 -16.688  1.00 71.84           H  
-ATOM   3384 HG21 VAL A 242      25.305 -15.958 -18.396  1.00 72.95           H  
-ATOM   3385 HG22 VAL A 242      26.969 -16.446 -18.098  1.00 72.95           H  
-ATOM   3386 HG23 VAL A 242      26.391 -16.252 -19.743  1.00 72.95           H  
-ATOM   3387  N   SER A 243      25.655 -21.142 -19.843  1.00 84.19           N  
-ATOM   3388  CA  SER A 243      25.465 -22.597 -19.774  1.00 78.70           C  
-ATOM   3389  C   SER A 243      26.731 -23.422 -20.100  1.00 68.66           C  
-ATOM   3390  O   SER A 243      26.879 -24.515 -19.560  1.00 70.93           O  
-ATOM   3391  CB  SER A 243      24.270 -22.996 -20.659  1.00 80.01           C  
-ATOM   3392  OG  SER A 243      24.593 -23.005 -22.034  1.00 78.41           O  
-ATOM   3393  H   SER A 243      25.096 -20.650 -20.526  1.00 84.19           H  
-ATOM   3394  HA  SER A 243      25.194 -22.826 -18.744  1.00 78.70           H  
-ATOM   3395  HB3 SER A 243      23.414 -22.345 -20.485  1.00 80.01           H  
-ATOM   3396  HB2 SER A 243      23.943 -24.002 -20.397  1.00 80.01           H  
-ATOM   3397  HG  SER A 243      24.898 -22.131 -22.296  1.00 78.41           H  
-ATOM   3398  N   GLN A 244      27.625 -22.864 -20.938  1.00 68.11           N  
-ATOM   3399  CA  GLN A 244      28.933 -23.413 -21.308  1.00 68.98           C  
-ATOM   3400  C   GLN A 244      30.067 -22.953 -20.367  1.00 84.55           C  
-ATOM   3401  O   GLN A 244      31.234 -23.131 -20.716  1.00 82.14           O  
-ATOM   3402  CB  GLN A 244      29.254 -23.019 -22.771  1.00 85.49           C  
-ATOM   3403  CG  GLN A 244      28.276 -23.562 -23.827  1.00101.99           C  
-ATOM   3404  CD  GLN A 244      28.411 -25.063 -24.050  1.00100.95           C  
-ATOM   3405  OE1 GLN A 244      29.424 -25.528 -24.567  1.00 99.08           O  
-ATOM   3406  NE2 GLN A 244      27.381 -25.824 -23.679  1.00 87.48           N  
-ATOM   3407  H   GLN A 244      27.414 -21.959 -21.334  1.00 68.11           H  
-ATOM   3408  HA  GLN A 244      28.897 -24.501 -21.240  1.00 68.98           H  
-ATOM   3409  HB3 GLN A 244      30.261 -23.339 -23.043  1.00 85.49           H  
-ATOM   3410  HB2 GLN A 244      29.269 -21.933 -22.856  1.00 85.49           H  
-ATOM   3411  HG3 GLN A 244      28.467 -23.068 -24.780  1.00101.99           H  
-ATOM   3412  HG2 GLN A 244      27.245 -23.328 -23.569  1.00101.99           H  
-ATOM   3413 HE22 GLN A 244      27.419 -26.824 -23.810  1.00 87.48           H  
-ATOM   3414 HE21 GLN A 244      26.562 -25.407 -23.261  1.00 87.48           H  
-ATOM   3415  N   GLY A 245      29.737 -22.361 -19.207  1.00 91.96           N  
-ATOM   3416  CA  GLY A 245      30.718 -21.951 -18.203  1.00 78.89           C  
-ATOM   3417  C   GLY A 245      31.440 -20.637 -18.519  1.00 76.44           C  
-ATOM   3418  O   GLY A 245      32.381 -20.312 -17.797  1.00 88.23           O  
-ATOM   3419  H   GLY A 245      28.761 -22.218 -18.990  1.00 91.96           H  
-ATOM   3420  HA3 GLY A 245      31.452 -22.741 -18.043  1.00 78.89           H  
-ATOM   3421  HA2 GLY A 245      30.222 -21.792 -17.255  1.00 78.89           H  
-ATOM   3422  N   HIS A 246      31.020 -19.876 -19.545  1.00 78.13           N  
-ATOM   3423  CA  HIS A 246      31.568 -18.548 -19.832  1.00 84.60           C  
-ATOM   3424  C   HIS A 246      30.944 -17.478 -18.931  1.00 77.02           C  
-ATOM   3425  O   HIS A 246      29.771 -17.562 -18.582  1.00 64.03           O  
-ATOM   3426  CB  HIS A 246      31.415 -18.183 -21.316  1.00101.02           C  
-ATOM   3427  CG  HIS A 246      32.464 -18.812 -22.184  1.00115.58           C  
-ATOM   3428  ND1 HIS A 246      32.344 -20.054 -22.786  1.00113.33           N  
-ATOM   3429  CE1 HIS A 246      33.476 -20.261 -23.467  1.00114.71           C  
-ATOM   3430  NE2 HIS A 246      34.342 -19.259 -23.366  1.00114.10           N  
-ATOM   3431  CD2 HIS A 246      33.697 -18.331 -22.554  1.00112.99           C  
-ATOM   3432  H   HIS A 246      30.241 -20.177 -20.116  1.00 78.13           H  
-ATOM   3433  HA  HIS A 246      32.639 -18.554 -19.613  1.00 84.60           H  
-ATOM   3434  HB3 HIS A 246      31.512 -17.104 -21.449  1.00101.02           H  
-ATOM   3435  HB2 HIS A 246      30.437 -18.425 -21.709  1.00101.02           H  
-ATOM   3436  HD1 HIS A 246      31.562 -20.689 -22.713  1.00113.33           H  
-ATOM   3437  HE1 HIS A 246      33.668 -21.156 -24.039  1.00114.71           H  
-ATOM   3438  HD2 HIS A 246      34.169 -17.395 -22.294  1.00112.99           H  
-ATOM   3439  N   ARG A 247      31.757 -16.491 -18.553  1.00 66.69           N  
-ATOM   3440  CA  ARG A 247      31.391 -15.443 -17.606  1.00 67.86           C  
-ATOM   3441  C   ARG A 247      31.884 -14.093 -18.140  1.00 67.13           C  
-ATOM   3442  O   ARG A 247      32.737 -14.092 -19.031  1.00 70.67           O  
-ATOM   3443  CB  ARG A 247      32.038 -15.786 -16.248  1.00 66.65           C  
-ATOM   3444  CG  ARG A 247      31.519 -17.076 -15.593  1.00 57.36           C  
-ATOM   3445  CD  ARG A 247      30.061 -16.966 -15.130  1.00 63.07           C  
-ATOM   3446  NE  ARG A 247      29.604 -18.209 -14.501  1.00 68.40           N  
-ATOM   3447  CZ  ARG A 247      29.046 -19.277 -15.088  1.00 75.33           C  
-ATOM   3448  NH1 ARG A 247      28.864 -19.334 -16.405  1.00 75.54           N  
-ATOM   3449  NH2 ARG A 247      28.653 -20.309 -14.340  1.00 72.32           N1+
-ATOM   3450  H   ARG A 247      32.705 -16.453 -18.902  1.00 66.69           H  
-ATOM   3451  HA  ARG A 247      30.309 -15.382 -17.514  1.00 67.86           H  
-ATOM   3452  HB3 ARG A 247      31.888 -14.972 -15.545  1.00 66.65           H  
-ATOM   3453  HB2 ARG A 247      33.119 -15.863 -16.370  1.00 66.65           H  
-ATOM   3454  HG3 ARG A 247      32.144 -17.253 -14.723  1.00 57.36           H  
-ATOM   3455  HG2 ARG A 247      31.677 -17.953 -16.220  1.00 57.36           H  
-ATOM   3456  HD3 ARG A 247      29.387 -16.639 -15.920  1.00 63.07           H  
-ATOM   3457  HD2 ARG A 247      29.993 -16.203 -14.356  1.00 63.07           H  
-ATOM   3458  HE  ARG A 247      29.767 -18.270 -13.503  1.00 68.40           H  
-ATOM   3459 HH12 ARG A 247      28.388 -20.113 -16.839  1.00 75.54           H  
-ATOM   3460 HH11 ARG A 247      29.194 -18.579 -16.995  1.00 75.54           H  
-ATOM   3461 HH22 ARG A 247      28.207 -21.114 -14.755  1.00 72.32           H  
-ATOM   3462 HH21 ARG A 247      28.801 -20.280 -13.339  1.00 72.32           H  
-ATOM   3463  N   PRO A 248      31.406 -12.963 -17.558  1.00 75.91           N  
-ATOM   3464  CA  PRO A 248      32.019 -11.639 -17.786  1.00 61.07           C  
-ATOM   3465  C   PRO A 248      33.543 -11.666 -17.600  1.00 65.08           C  
-ATOM   3466  O   PRO A 248      34.035 -12.349 -16.702  1.00 73.44           O  
-ATOM   3467  CB  PRO A 248      31.323 -10.730 -16.765  1.00 64.73           C  
-ATOM   3468  CG  PRO A 248      29.972 -11.383 -16.550  1.00 66.00           C  
-ATOM   3469  CD  PRO A 248      30.304 -12.864 -16.598  1.00 66.94           C  
-ATOM   3470  HA  PRO A 248      31.759 -11.326 -18.798  1.00 61.07           H  
-ATOM   3471  HB3 PRO A 248      31.225  -9.703 -17.114  1.00 64.73           H  
-ATOM   3472  HB2 PRO A 248      31.868 -10.714 -15.822  1.00 64.73           H  
-ATOM   3473  HG3 PRO A 248      29.317 -11.141 -17.386  1.00 66.00           H  
-ATOM   3474  HG2 PRO A 248      29.479 -11.078 -15.627  1.00 66.00           H  
-ATOM   3475  HD2 PRO A 248      30.643 -13.195 -15.622  1.00 66.94           H  
-ATOM   3476  HD3 PRO A 248      29.431 -13.455 -16.859  1.00 66.94           H  
-ATOM   3477  N   VAL A 249      34.258 -11.023 -18.528  1.00 74.72           N  
-ATOM   3478  CA  VAL A 249      35.704 -11.162 -18.641  1.00 79.27           C  
-ATOM   3479  C   VAL A 249      36.415 -10.470 -17.472  1.00 80.08           C  
-ATOM   3480  O   VAL A 249      36.075  -9.335 -17.153  1.00 83.13           O  
-ATOM   3481  CB  VAL A 249      36.217 -10.574 -19.980  1.00 90.48           C  
-ATOM   3482  CG1 VAL A 249      37.750 -10.571 -20.104  1.00 87.36           C  
-ATOM   3483  CG2 VAL A 249      35.610 -11.329 -21.176  1.00 98.75           C  
-ATOM   3484  H   VAL A 249      33.797 -10.496 -19.253  1.00 74.72           H  
-ATOM   3485  HA  VAL A 249      35.944 -12.227 -18.622  1.00 79.27           H  
-ATOM   3486  HB  VAL A 249      35.885  -9.537 -20.053  1.00 90.48           H  
-ATOM   3487 HG11 VAL A 249      38.057 -10.263 -21.102  1.00 87.36           H  
-ATOM   3488 HG12 VAL A 249      38.210  -9.879 -19.401  1.00 87.36           H  
-ATOM   3489 HG13 VAL A 249      38.166 -11.562 -19.922  1.00 87.36           H  
-ATOM   3490 HG21 VAL A 249      35.965 -10.919 -22.121  1.00 98.75           H  
-ATOM   3491 HG22 VAL A 249      35.876 -12.386 -21.153  1.00 98.75           H  
-ATOM   3492 HG23 VAL A 249      34.522 -11.262 -21.188  1.00 98.75           H  
-ATOM   3493  N   ILE A 250      37.382 -11.178 -16.877  1.00 82.94           N  
-ATOM   3494  CA  ILE A 250      38.276 -10.679 -15.843  1.00 83.76           C  
-ATOM   3495  C   ILE A 250      39.684 -10.604 -16.457  1.00 80.86           C  
-ATOM   3496  O   ILE A 250      40.320 -11.634 -16.678  1.00 97.25           O  
-ATOM   3497  CB  ILE A 250      38.276 -11.601 -14.590  1.00 81.63           C  
-ATOM   3498  CG1 ILE A 250      36.882 -11.583 -13.919  1.00 81.40           C  
-ATOM   3499  CG2 ILE A 250      39.388 -11.247 -13.574  1.00 77.65           C  
-ATOM   3500  CD1 ILE A 250      36.669 -12.671 -12.864  1.00 83.79           C  
-ATOM   3501  H   ILE A 250      37.572 -12.120 -17.196  1.00 82.94           H  
-ATOM   3502  HA  ILE A 250      37.978  -9.682 -15.517  1.00 83.76           H  
-ATOM   3503  HB  ILE A 250      38.455 -12.626 -14.921  1.00 81.63           H  
-ATOM   3504 HG13 ILE A 250      36.098 -11.702 -14.665  1.00 81.40           H  
-ATOM   3505 HG12 ILE A 250      36.706 -10.611 -13.470  1.00 81.40           H  
-ATOM   3506 HG21 ILE A 250      39.326 -11.855 -12.675  1.00 77.65           H  
-ATOM   3507 HG22 ILE A 250      40.386 -11.423 -13.975  1.00 77.65           H  
-ATOM   3508 HG23 ILE A 250      39.336 -10.203 -13.277  1.00 77.65           H  
-ATOM   3509 HD11 ILE A 250      35.656 -12.626 -12.470  1.00 83.79           H  
-ATOM   3510 HD12 ILE A 250      36.833 -13.665 -13.277  1.00 83.79           H  
-ATOM   3511 HD13 ILE A 250      37.330 -12.544 -12.011  1.00 83.79           H  
-ATOM   3512  N   ASN A 251      40.117  -9.368 -16.724  1.00 87.23           N  
-ATOM   3513  CA  ASN A 251      41.450  -8.989 -17.193  1.00 90.46           C  
-ATOM   3514  C   ASN A 251      41.732  -7.554 -16.718  1.00 89.67           C  
-ATOM   3515  O   ASN A 251      40.869  -6.948 -16.081  1.00 91.87           O  
-ATOM   3516  CB  ASN A 251      41.581  -9.185 -18.729  1.00 83.48           C  
-ATOM   3517  CG  ASN A 251      40.622  -8.355 -19.594  1.00 85.12           C  
-ATOM   3518  OD1 ASN A 251      40.112  -7.320 -19.179  1.00 83.30           O  
-ATOM   3519  ND2 ASN A 251      40.373  -8.806 -20.821  1.00 81.27           N  
-ATOM   3520  H   ASN A 251      39.509  -8.584 -16.529  1.00 87.23           H  
-ATOM   3521  HA  ASN A 251      42.183  -9.630 -16.700  1.00 90.46           H  
-ATOM   3522  HB3 ASN A 251      41.429 -10.240 -18.964  1.00 83.48           H  
-ATOM   3523  HB2 ASN A 251      42.599  -8.956 -19.045  1.00 83.48           H  
-ATOM   3524 HD22 ASN A 251      39.762  -8.284 -21.433  1.00 81.27           H  
-ATOM   3525 HD21 ASN A 251      40.799  -9.658 -21.155  1.00 81.27           H  
-ATOM   3526  N   GLU A 252      42.911  -7.010 -17.061  1.00 88.89           N  
-ATOM   3527  CA  GLU A 252      43.320  -5.637 -16.733  1.00 90.85           C  
-ATOM   3528  C   GLU A 252      42.374  -4.540 -17.281  1.00 83.91           C  
-ATOM   3529  O   GLU A 252      42.350  -3.441 -16.734  1.00 90.67           O  
-ATOM   3530  CB  GLU A 252      44.760  -5.437 -17.247  1.00 97.24           C  
-ATOM   3531  CG  GLU A 252      45.438  -4.112 -16.818  1.00104.72           C  
-ATOM   3532  CD  GLU A 252      46.815  -3.846 -17.444  1.00112.79           C  
-ATOM   3533  OE1 GLU A 252      47.236  -4.611 -18.339  1.00102.39           O  
-ATOM   3534  OE2 GLU A 252      47.434  -2.848 -17.013  1.00109.71           O1-
-ATOM   3535  H   GLU A 252      43.575  -7.549 -17.596  1.00 88.89           H  
-ATOM   3536  HA  GLU A 252      43.331  -5.550 -15.646  1.00 90.85           H  
-ATOM   3537  HB3 GLU A 252      44.740  -5.500 -18.336  1.00 97.24           H  
-ATOM   3538  HB2 GLU A 252      45.378  -6.272 -16.918  1.00 97.24           H  
-ATOM   3539  HG3 GLU A 252      45.529  -4.089 -15.732  1.00104.72           H  
-ATOM   3540  HG2 GLU A 252      44.822  -3.257 -17.092  1.00104.72           H  
-ATOM   3541  N   GLU A 253      41.617  -4.846 -18.345  1.00 80.64           N  
-ATOM   3542  CA  GLU A 253      40.759  -3.897 -19.046  1.00 98.78           C  
-ATOM   3543  C   GLU A 253      39.351  -3.776 -18.432  1.00 96.09           C  
-ATOM   3544  O   GLU A 253      38.795  -2.679 -18.446  1.00 92.72           O  
-ATOM   3545  CB  GLU A 253      40.750  -4.285 -20.534  1.00114.70           C  
-ATOM   3546  CG  GLU A 253      39.956  -3.340 -21.454  1.00120.17           C  
-ATOM   3547  CD  GLU A 253      39.913  -3.793 -22.920  1.00129.00           C  
-ATOM   3548  OE1 GLU A 253      40.853  -4.485 -23.372  1.00116.97           O  
-ATOM   3549  OE2 GLU A 253      38.913  -3.433 -23.577  1.00115.49           O1-
-ATOM   3550  H   GLU A 253      41.658  -5.777 -18.735  1.00 80.64           H  
-ATOM   3551  HA  GLU A 253      41.217  -2.908 -18.983  1.00 98.78           H  
-ATOM   3552  HB3 GLU A 253      40.364  -5.296 -20.652  1.00114.70           H  
-ATOM   3553  HB2 GLU A 253      41.786  -4.322 -20.875  1.00114.70           H  
-ATOM   3554  HG3 GLU A 253      40.385  -2.339 -21.414  1.00120.17           H  
-ATOM   3555  HG2 GLU A 253      38.929  -3.251 -21.098  1.00120.17           H  
-ATOM   3556  N   SER A 254      38.813  -4.879 -17.890  1.00 87.84           N  
-ATOM   3557  CA  SER A 254      37.556  -4.902 -17.141  1.00 76.98           C  
-ATOM   3558  C   SER A 254      37.760  -4.536 -15.666  1.00 71.51           C  
-ATOM   3559  O   SER A 254      36.916  -3.849 -15.101  1.00 68.09           O  
-ATOM   3560  CB  SER A 254      36.901  -6.280 -17.293  1.00 76.37           C  
-ATOM   3561  OG  SER A 254      37.713  -7.285 -16.726  1.00 79.09           O  
-ATOM   3562  H   SER A 254      39.312  -5.757 -17.944  1.00 87.84           H  
-ATOM   3563  HA  SER A 254      36.868  -4.180 -17.571  1.00 76.98           H  
-ATOM   3564  HB3 SER A 254      36.724  -6.513 -18.343  1.00 76.37           H  
-ATOM   3565  HB2 SER A 254      35.931  -6.294 -16.795  1.00 76.37           H  
-ATOM   3566  HG  SER A 254      37.247  -8.123 -16.835  1.00 79.09           H  
-ATOM   3567  N   LEU A 255      38.867  -5.011 -15.084  1.00 74.30           N  
-ATOM   3568  CA  LEU A 255      39.193  -4.890 -13.675  1.00 71.04           C  
-ATOM   3569  C   LEU A 255      40.653  -4.429 -13.594  1.00 74.16           C  
-ATOM   3570  O   LEU A 255      41.530  -5.283 -13.561  1.00 77.11           O  
-ATOM   3571  CB  LEU A 255      38.979  -6.259 -12.978  1.00 73.72           C  
-ATOM   3572  CG  LEU A 255      37.506  -6.701 -12.832  1.00 72.73           C  
-ATOM   3573  CD1 LEU A 255      37.411  -8.054 -12.115  1.00 75.52           C  
-ATOM   3574  CD2 LEU A 255      36.627  -5.667 -12.113  1.00 73.51           C  
-ATOM   3575  H   LEU A 255      39.506  -5.572 -15.632  1.00 74.30           H  
-ATOM   3576  HA  LEU A 255      38.553  -4.163 -13.185  1.00 71.04           H  
-ATOM   3577  HB3 LEU A 255      39.419  -6.223 -11.981  1.00 73.72           H  
-ATOM   3578  HB2 LEU A 255      39.527  -7.034 -13.516  1.00 73.72           H  
-ATOM   3579  HG  LEU A 255      37.100  -6.843 -13.834  1.00 72.73           H  
-ATOM   3580 HD11 LEU A 255      36.648  -8.671 -12.581  1.00 75.52           H  
-ATOM   3581 HD12 LEU A 255      38.353  -8.596 -12.133  1.00 75.52           H  
-ATOM   3582 HD13 LEU A 255      37.132  -7.942 -11.067  1.00 75.52           H  
-ATOM   3583 HD21 LEU A 255      35.771  -6.134 -11.624  1.00 73.51           H  
-ATOM   3584 HD22 LEU A 255      37.184  -5.128 -11.353  1.00 73.51           H  
-ATOM   3585 HD23 LEU A 255      36.229  -4.935 -12.810  1.00 73.51           H  
-ATOM   3586  N   PRO A 256      40.932  -3.109 -13.605  1.00 89.73           N  
-ATOM   3587  CA  PRO A 256      42.320  -2.616 -13.525  1.00 90.03           C  
-ATOM   3588  C   PRO A 256      43.050  -2.997 -12.228  1.00 86.31           C  
-ATOM   3589  O   PRO A 256      42.413  -3.194 -11.195  1.00 90.51           O  
-ATOM   3590  CB  PRO A 256      42.178  -1.100 -13.709  1.00 91.07           C  
-ATOM   3591  CG  PRO A 256      40.751  -0.784 -13.290  1.00 87.52           C  
-ATOM   3592  CD  PRO A 256      39.985  -2.007 -13.769  1.00 90.74           C  
-ATOM   3593  HA  PRO A 256      42.904  -3.022 -14.349  1.00 90.03           H  
-ATOM   3594  HB3 PRO A 256      42.300  -0.865 -14.766  1.00 91.07           H  
-ATOM   3595  HB2 PRO A 256      42.926  -0.520 -13.172  1.00 91.07           H  
-ATOM   3596  HG3 PRO A 256      40.377   0.152 -13.702  1.00 87.52           H  
-ATOM   3597  HG2 PRO A 256      40.696  -0.719 -12.204  1.00 87.52           H  
-ATOM   3598  HD2 PRO A 256      39.049  -2.103 -13.225  1.00 90.74           H  
-ATOM   3599  HD3 PRO A 256      39.746  -1.919 -14.830  1.00 90.74           H  
-ATOM   3600  N   TYR A 257      44.382  -3.117 -12.334  1.00 83.72           N  
-ATOM   3601  CA  TYR A 257      45.293  -3.511 -11.257  1.00 85.46           C  
-ATOM   3602  C   TYR A 257      45.322  -2.560 -10.045  1.00 79.41           C  
-ATOM   3603  O   TYR A 257      45.815  -2.975  -8.998  1.00 86.91           O  
-ATOM   3604  CB  TYR A 257      46.707  -3.747 -11.836  1.00 97.23           C  
-ATOM   3605  CG  TYR A 257      46.852  -4.838 -12.894  1.00106.55           C  
-ATOM   3606  CD1 TYR A 257      45.967  -5.938 -12.949  1.00114.06           C  
-ATOM   3607  CE1 TYR A 257      46.126  -6.945 -13.915  1.00114.37           C  
-ATOM   3608  CZ  TYR A 257      47.191  -6.879 -14.827  1.00108.20           C  
-ATOM   3609  OH  TYR A 257      47.350  -7.862 -15.758  1.00 95.21           O  
-ATOM   3610  CE2 TYR A 257      48.089  -5.796 -14.777  1.00101.79           C  
-ATOM   3611  CD2 TYR A 257      47.913  -4.775 -13.821  1.00106.65           C  
-ATOM   3612  H   TYR A 257      44.818  -2.943 -13.229  1.00 83.72           H  
-ATOM   3613  HA  TYR A 257      44.939  -4.452 -10.854  1.00 85.46           H  
-ATOM   3614  HB3 TYR A 257      47.394  -4.002 -11.028  1.00 97.23           H  
-ATOM   3615  HB2 TYR A 257      47.080  -2.813 -12.259  1.00 97.23           H  
-ATOM   3616  HD1 TYR A 257      45.158  -6.032 -12.251  1.00114.06           H  
-ATOM   3617  HE1 TYR A 257      45.434  -7.773 -13.947  1.00114.37           H  
-ATOM   3618  HH  TYR A 257      46.668  -8.535 -15.721  1.00 95.21           H  
-ATOM   3619  HE2 TYR A 257      48.905  -5.738 -15.482  1.00101.79           H  
-ATOM   3620  HD2 TYR A 257      48.600  -3.942 -13.805  1.00106.65           H  
-ATOM   3621  N   ASP A 258      44.774  -1.338 -10.178  1.00 85.34           N  
-ATOM   3622  CA  ASP A 258      44.690  -0.351  -9.098  1.00 93.39           C  
-ATOM   3623  C   ASP A 258      43.537  -0.632  -8.107  1.00 84.00           C  
-ATOM   3624  O   ASP A 258      43.551  -0.017  -7.041  1.00 80.35           O  
-ATOM   3625  CB  ASP A 258      44.643   1.110  -9.627  1.00 94.36           C  
-ATOM   3626  CG  ASP A 258      43.274   1.634 -10.100  1.00 95.13           C  
-ATOM   3627  OD1 ASP A 258      42.749   1.078 -11.086  1.00 84.67           O  
-ATOM   3628  OD2 ASP A 258      42.738   2.536  -9.417  1.00 90.82           O1-
-ATOM   3629  H   ASP A 258      44.365  -1.063 -11.060  1.00 85.34           H  
-ATOM   3630  HA  ASP A 258      45.608  -0.428  -8.513  1.00 93.39           H  
-ATOM   3631  HB3 ASP A 258      45.316   1.190 -10.482  1.00 94.36           H  
-ATOM   3632  HB2 ASP A 258      45.067   1.782  -8.879  1.00 94.36           H  
-ATOM   3633  N   ILE A 259      42.570  -1.511  -8.449  1.00 70.83           N  
-ATOM   3634  CA  ILE A 259      41.423  -1.860  -7.596  1.00 75.49           C  
-ATOM   3635  C   ILE A 259      41.910  -2.388  -6.224  1.00 71.50           C  
-ATOM   3636  O   ILE A 259      42.679  -3.347  -6.215  1.00 71.01           O  
-ATOM   3637  CB  ILE A 259      40.520  -2.957  -8.250  1.00 77.47           C  
-ATOM   3638  CG1 ILE A 259      39.820  -2.395  -9.499  1.00 81.98           C  
-ATOM   3639  CG2 ILE A 259      39.447  -3.542  -7.293  1.00 72.16           C  
-ATOM   3640  CD1 ILE A 259      39.091  -3.442 -10.341  1.00 83.84           C  
-ATOM   3641  H   ILE A 259      42.616  -1.973  -9.346  1.00 70.83           H  
-ATOM   3642  HA  ILE A 259      40.823  -0.957  -7.506  1.00 75.49           H  
-ATOM   3643  HB  ILE A 259      41.162  -3.778  -8.573  1.00 77.47           H  
-ATOM   3644 HG13 ILE A 259      40.520  -1.853 -10.131  1.00 81.98           H  
-ATOM   3645 HG12 ILE A 259      39.095  -1.659  -9.173  1.00 81.98           H  
-ATOM   3646 HG21 ILE A 259      38.806  -4.274  -7.780  1.00 72.16           H  
-ATOM   3647 HG22 ILE A 259      39.887  -4.081  -6.458  1.00 72.16           H  
-ATOM   3648 HG23 ILE A 259      38.806  -2.759  -6.887  1.00 72.16           H  
-ATOM   3649 HD11 ILE A 259      38.693  -2.983 -11.241  1.00 83.84           H  
-ATOM   3650 HD12 ILE A 259      39.757  -4.254 -10.630  1.00 83.84           H  
-ATOM   3651 HD13 ILE A 259      38.240  -3.864  -9.814  1.00 83.84           H  
-ATOM   3652  N   PRO A 260      41.490  -1.759  -5.099  1.00 71.75           N  
-ATOM   3653  CA  PRO A 260      41.778  -2.267  -3.742  1.00 64.83           C  
-ATOM   3654  C   PRO A 260      41.393  -3.738  -3.547  1.00 64.72           C  
-ATOM   3655  O   PRO A 260      40.278  -4.107  -3.904  1.00 64.76           O  
-ATOM   3656  CB  PRO A 260      40.920  -1.380  -2.824  1.00 67.43           C  
-ATOM   3657  CG  PRO A 260      40.727  -0.091  -3.592  1.00 71.15           C  
-ATOM   3658  CD  PRO A 260      40.691  -0.535  -5.046  1.00 76.46           C  
-ATOM   3659  HA  PRO A 260      42.839  -2.109  -3.539  1.00 64.83           H  
-ATOM   3660  HB3 PRO A 260      41.387  -1.209  -1.854  1.00 67.43           H  
-ATOM   3661  HB2 PRO A 260      39.940  -1.823  -2.639  1.00 67.43           H  
-ATOM   3662  HG3 PRO A 260      41.595   0.551  -3.437  1.00 71.15           H  
-ATOM   3663  HG2 PRO A 260      39.846   0.465  -3.279  1.00 71.15           H  
-ATOM   3664  HD2 PRO A 260      39.670  -0.761  -5.358  1.00 76.46           H  
-ATOM   3665  HD3 PRO A 260      41.087   0.255  -5.685  1.00 76.46           H  
-ATOM   3666  N   HIS A 261      42.313  -4.552  -3.004  1.00 61.15           N  
-ATOM   3667  CA  HIS A 261      42.066  -5.961  -2.664  1.00 57.93           C  
-ATOM   3668  C   HIS A 261      41.613  -6.800  -3.873  1.00 55.88           C  
-ATOM   3669  O   HIS A 261      40.763  -7.675  -3.718  1.00 59.44           O  
-ATOM   3670  CB  HIS A 261      41.068  -6.056  -1.483  1.00 60.47           C  
-ATOM   3671  CG  HIS A 261      41.486  -5.268  -0.273  1.00 60.48           C  
-ATOM   3672  ND1 HIS A 261      42.382  -5.786   0.662  1.00 64.59           N  
-ATOM   3673  CE1 HIS A 261      42.528  -4.824   1.560  1.00 69.83           C  
-ATOM   3674  NE2 HIS A 261      41.803  -3.740   1.285  1.00 68.03           N  
-ATOM   3675  CD2 HIS A 261      41.125  -3.992   0.108  1.00 65.77           C  
-ATOM   3676  H   HIS A 261      43.217  -4.183  -2.747  1.00 61.15           H  
-ATOM   3677  HA  HIS A 261      43.020  -6.376  -2.339  1.00 57.93           H  
-ATOM   3678  HB3 HIS A 261      40.954  -7.095  -1.172  1.00 60.47           H  
-ATOM   3679  HB2 HIS A 261      40.073  -5.723  -1.780  1.00 60.47           H  
-ATOM   3680  HE1 HIS A 261      43.172  -4.915   2.421  1.00 69.83           H  
-ATOM   3681  HD2 HIS A 261      40.461  -3.273  -0.345  1.00 65.77           H  
-ATOM   3682  HE2 HIS A 261      41.740  -2.901   1.848  1.00 68.03           H  
-ATOM   3683  N   ARG A 262      42.163  -6.479  -5.057  1.00 57.16           N  
-ATOM   3684  CA  ARG A 262      41.753  -7.001  -6.358  1.00 62.02           C  
-ATOM   3685  C   ARG A 262      41.620  -8.526  -6.410  1.00 60.19           C  
-ATOM   3686  O   ARG A 262      40.573  -9.020  -6.819  1.00 69.00           O  
-ATOM   3687  CB  ARG A 262      42.732  -6.505  -7.434  1.00 66.85           C  
-ATOM   3688  CG  ARG A 262      42.340  -6.929  -8.848  1.00 68.92           C  
-ATOM   3689  CD  ARG A 262      43.210  -6.249  -9.896  1.00 72.24           C  
-ATOM   3690  NE  ARG A 262      42.783  -6.617 -11.250  1.00 69.83           N  
-ATOM   3691  CZ  ARG A 262      43.037  -7.763 -11.909  1.00 77.35           C  
-ATOM   3692  NH1 ARG A 262      43.774  -8.745 -11.377  1.00 74.17           N  
-ATOM   3693  NH2 ARG A 262      42.538  -7.941 -13.135  1.00 81.08           N1+
-ATOM   3694  H   ARG A 262      42.838  -5.729  -5.085  1.00 57.16           H  
-ATOM   3695  HA  ARG A 262      40.770  -6.575  -6.568  1.00 62.02           H  
-ATOM   3696  HB3 ARG A 262      43.742  -6.856  -7.218  1.00 66.85           H  
-ATOM   3697  HB2 ARG A 262      42.781  -5.422  -7.409  1.00 66.85           H  
-ATOM   3698  HG3 ARG A 262      41.290  -6.690  -9.023  1.00 68.92           H  
-ATOM   3699  HG2 ARG A 262      42.437  -8.009  -8.944  1.00 68.92           H  
-ATOM   3700  HD3 ARG A 262      44.259  -6.507  -9.754  1.00 72.24           H  
-ATOM   3701  HD2 ARG A 262      43.133  -5.172  -9.773  1.00 72.24           H  
-ATOM   3702  HE  ARG A 262      42.216  -5.926 -11.726  1.00 69.83           H  
-ATOM   3703 HH12 ARG A 262      43.945  -9.598 -11.889  1.00 74.17           H  
-ATOM   3704 HH11 ARG A 262      44.169  -8.634 -10.456  1.00 74.17           H  
-ATOM   3705 HH22 ARG A 262      42.688  -8.801 -13.640  1.00 81.08           H  
-ATOM   3706 HH21 ARG A 262      42.012  -7.193 -13.571  1.00 81.08           H  
-ATOM   3707  N   ALA A 263      42.686  -9.221  -5.981  1.00 67.96           N  
-ATOM   3708  CA  ALA A 263      42.789 -10.678  -5.979  1.00 59.97           C  
-ATOM   3709  C   ALA A 263      41.705 -11.359  -5.136  1.00 61.60           C  
-ATOM   3710  O   ALA A 263      41.135 -12.360  -5.560  1.00 64.03           O  
-ATOM   3711  CB  ALA A 263      44.188 -11.072  -5.487  1.00 55.16           C  
-ATOM   3712  H   ALA A 263      43.497  -8.720  -5.649  1.00 67.96           H  
-ATOM   3713  HA  ALA A 263      42.676 -11.021  -7.009  1.00 59.97           H  
-ATOM   3714  HB1 ALA A 263      44.312 -12.155  -5.483  1.00 55.16           H  
-ATOM   3715  HB2 ALA A 263      44.961 -10.658  -6.133  1.00 55.16           H  
-ATOM   3716  HB3 ALA A 263      44.374 -10.713  -4.475  1.00 55.16           H  
-ATOM   3717  N   ARG A 264      41.416 -10.767  -3.974  1.00 60.88           N  
-ATOM   3718  CA  ARG A 264      40.429 -11.239  -3.014  1.00 63.98           C  
-ATOM   3719  C   ARG A 264      38.997 -11.089  -3.542  1.00 57.17           C  
-ATOM   3720  O   ARG A 264      38.212 -12.026  -3.411  1.00 54.76           O  
-ATOM   3721  CB  ARG A 264      40.695 -10.445  -1.738  1.00 70.80           C  
-ATOM   3722  CG  ARG A 264      40.285 -11.080  -0.410  1.00 86.23           C  
-ATOM   3723  CD  ARG A 264      41.273 -10.542   0.629  1.00100.47           C  
-ATOM   3724  NE  ARG A 264      40.775 -10.542   1.998  1.00 94.78           N  
-ATOM   3725  CZ  ARG A 264      41.448 -10.006   3.030  1.00 89.09           C  
-ATOM   3726  NH1 ARG A 264      40.851  -9.941   4.218  1.00101.75           N  
-ATOM   3727  NH2 ARG A 264      42.700  -9.532   2.912  1.00 95.37           N1+
-ATOM   3728  H   ARG A 264      41.905  -9.921  -3.722  1.00 60.88           H  
-ATOM   3729  HA  ARG A 264      40.634 -12.295  -2.832  1.00 63.98           H  
-ATOM   3730  HB3 ARG A 264      40.277  -9.440  -1.807  1.00 70.80           H  
-ATOM   3731  HB2 ARG A 264      41.777 -10.295  -1.698  1.00 70.80           H  
-ATOM   3732  HG3 ARG A 264      40.413 -12.160  -0.489  1.00 86.23           H  
-ATOM   3733  HG2 ARG A 264      39.239 -10.900  -0.157  1.00 86.23           H  
-ATOM   3734  HD3 ARG A 264      41.661  -9.556   0.365  1.00100.47           H  
-ATOM   3735  HD2 ARG A 264      42.127 -11.221   0.650  1.00100.47           H  
-ATOM   3736  HE  ARG A 264      39.854 -10.932   2.148  1.00 94.78           H  
-ATOM   3737 HH12 ARG A 264      41.338  -9.562   5.016  1.00101.75           H  
-ATOM   3738 HH11 ARG A 264      39.909 -10.288   4.331  1.00101.75           H  
-ATOM   3739 HH22 ARG A 264      43.182  -9.141   3.707  1.00 95.37           H  
-ATOM   3740 HH21 ARG A 264      43.166  -9.562   2.018  1.00 95.37           H  
-ATOM   3741  N   MET A 265      38.710  -9.949  -4.193  1.00 54.88           N  
-ATOM   3742  CA  MET A 265      37.432  -9.696  -4.855  1.00 54.10           C  
-ATOM   3743  C   MET A 265      37.213 -10.590  -6.077  1.00 51.08           C  
-ATOM   3744  O   MET A 265      36.106 -11.090  -6.241  1.00 58.59           O  
-ATOM   3745  CB  MET A 265      37.289  -8.208  -5.227  1.00 51.78           C  
-ATOM   3746  CG  MET A 265      37.323  -7.254  -4.024  1.00 55.31           C  
-ATOM   3747  SD  MET A 265      36.227  -7.688  -2.642  1.00 55.76           S  
-ATOM   3748  CE  MET A 265      34.632  -7.282  -3.387  1.00 51.65           C  
-ATOM   3749  H   MET A 265      39.411  -9.224  -4.271  1.00 54.88           H  
-ATOM   3750  HA  MET A 265      36.640  -9.957  -4.153  1.00 54.10           H  
-ATOM   3751  HB3 MET A 265      36.355  -8.060  -5.768  1.00 51.78           H  
-ATOM   3752  HB2 MET A 265      38.082  -7.925  -5.920  1.00 51.78           H  
-ATOM   3753  HG3 MET A 265      37.077  -6.248  -4.358  1.00 55.31           H  
-ATOM   3754  HG2 MET A 265      38.330  -7.193  -3.623  1.00 55.31           H  
-ATOM   3755  HE1 MET A 265      33.824  -7.445  -2.676  1.00 51.65           H  
-ATOM   3756  HE2 MET A 265      34.613  -6.238  -3.700  1.00 51.65           H  
-ATOM   3757  HE3 MET A 265      34.451  -7.910  -4.257  1.00 51.65           H  
-ATOM   3758  N   ILE A 266      38.264 -10.824  -6.876  1.00 59.95           N  
-ATOM   3759  CA  ILE A 266      38.230 -11.745  -8.011  1.00 63.97           C  
-ATOM   3760  C   ILE A 266      37.970 -13.203  -7.594  1.00 59.36           C  
-ATOM   3761  O   ILE A 266      37.186 -13.868  -8.267  1.00 62.62           O  
-ATOM   3762  CB  ILE A 266      39.509 -11.622  -8.887  1.00 69.75           C  
-ATOM   3763  CG1 ILE A 266      39.438 -10.312  -9.700  1.00 61.12           C  
-ATOM   3764  CG2 ILE A 266      39.796 -12.817  -9.825  1.00 64.87           C  
-ATOM   3765  CD1 ILE A 266      40.779  -9.879 -10.291  1.00 68.12           C  
-ATOM   3766  H   ILE A 266      39.148 -10.368  -6.691  1.00 59.95           H  
-ATOM   3767  HA  ILE A 266      37.381 -11.451  -8.630  1.00 63.97           H  
-ATOM   3768  HB  ILE A 266      40.360 -11.541  -8.210  1.00 69.75           H  
-ATOM   3769 HG13 ILE A 266      39.066  -9.496  -9.079  1.00 61.12           H  
-ATOM   3770 HG12 ILE A 266      38.708 -10.424 -10.501  1.00 61.12           H  
-ATOM   3771 HG21 ILE A 266      40.658 -12.631 -10.463  1.00 64.87           H  
-ATOM   3772 HG22 ILE A 266      40.024 -13.727  -9.271  1.00 64.87           H  
-ATOM   3773 HG23 ILE A 266      38.947 -13.029 -10.472  1.00 64.87           H  
-ATOM   3774 HD11 ILE A 266      40.763  -8.815 -10.523  1.00 68.12           H  
-ATOM   3775 HD12 ILE A 266      41.598 -10.064  -9.598  1.00 68.12           H  
-ATOM   3776 HD13 ILE A 266      40.996 -10.410 -11.217  1.00 68.12           H  
-ATOM   3777  N   SER A 267      38.550 -13.644  -6.463  1.00 56.29           N  
-ATOM   3778  CA  SER A 267      38.275 -14.955  -5.865  1.00 61.72           C  
-ATOM   3779  C   SER A 267      36.801 -15.086  -5.471  1.00 64.74           C  
-ATOM   3780  O   SER A 267      36.189 -16.094  -5.807  1.00 63.35           O  
-ATOM   3781  CB  SER A 267      39.148 -15.187  -4.621  1.00 56.07           C  
-ATOM   3782  OG  SER A 267      40.517 -15.134  -4.947  1.00 70.95           O  
-ATOM   3783  H   SER A 267      39.185 -13.041  -5.960  1.00 56.29           H  
-ATOM   3784  HA  SER A 267      38.505 -15.722  -6.606  1.00 61.72           H  
-ATOM   3785  HB3 SER A 267      38.941 -16.165  -4.187  1.00 56.07           H  
-ATOM   3786  HB2 SER A 267      38.948 -14.451  -3.844  1.00 56.07           H  
-ATOM   3787  HG  SER A 267      40.743 -14.230  -5.187  1.00 70.95           H  
-ATOM   3788  N   LEU A 268      36.261 -14.043  -4.815  1.00 66.61           N  
-ATOM   3789  CA  LEU A 268      34.868 -13.927  -4.388  1.00 60.57           C  
-ATOM   3790  C   LEU A 268      33.884 -13.998  -5.567  1.00 51.85           C  
-ATOM   3791  O   LEU A 268      32.879 -14.698  -5.470  1.00 54.14           O  
-ATOM   3792  CB  LEU A 268      34.719 -12.618  -3.579  1.00 64.04           C  
-ATOM   3793  CG  LEU A 268      33.440 -12.479  -2.733  1.00 73.72           C  
-ATOM   3794  CD1 LEU A 268      33.320 -13.586  -1.667  1.00 83.56           C  
-ATOM   3795  CD2 LEU A 268      33.367 -11.074  -2.101  1.00 82.55           C  
-ATOM   3796  H   LEU A 268      36.850 -13.252  -4.591  1.00 66.61           H  
-ATOM   3797  HA  LEU A 268      34.671 -14.781  -3.740  1.00 60.57           H  
-ATOM   3798  HB3 LEU A 268      34.783 -11.769  -4.254  1.00 64.04           H  
-ATOM   3799  HB2 LEU A 268      35.570 -12.518  -2.905  1.00 64.04           H  
-ATOM   3800  HG  LEU A 268      32.585 -12.566  -3.404  1.00 73.72           H  
-ATOM   3801 HD11 LEU A 268      33.147 -13.178  -0.673  1.00 83.56           H  
-ATOM   3802 HD12 LEU A 268      32.483 -14.249  -1.889  1.00 83.56           H  
-ATOM   3803 HD13 LEU A 268      34.217 -14.200  -1.597  1.00 83.56           H  
-ATOM   3804 HD21 LEU A 268      32.335 -10.730  -2.035  1.00 82.55           H  
-ATOM   3805 HD22 LEU A 268      33.784 -11.054  -1.094  1.00 82.55           H  
-ATOM   3806 HD23 LEU A 268      33.915 -10.333  -2.684  1.00 82.55           H  
-ATOM   3807  N   ILE A 269      34.223 -13.315  -6.671  1.00 53.84           N  
-ATOM   3808  CA  ILE A 269      33.469 -13.327  -7.919  1.00 63.30           C  
-ATOM   3809  C   ILE A 269      33.485 -14.719  -8.582  1.00 60.04           C  
-ATOM   3810  O   ILE A 269      32.416 -15.240  -8.890  1.00 49.96           O  
-ATOM   3811  CB  ILE A 269      33.996 -12.245  -8.907  1.00 61.80           C  
-ATOM   3812  CG1 ILE A 269      33.724 -10.820  -8.375  1.00 56.76           C  
-ATOM   3813  CG2 ILE A 269      33.436 -12.361 -10.335  1.00 65.25           C  
-ATOM   3814  CD1 ILE A 269      34.614  -9.742  -9.014  1.00 56.74           C  
-ATOM   3815  H   ILE A 269      35.064 -12.751  -6.665  1.00 53.84           H  
-ATOM   3816  HA  ILE A 269      32.432 -13.086  -7.677  1.00 63.30           H  
-ATOM   3817  HB  ILE A 269      35.076 -12.368  -8.975  1.00 61.80           H  
-ATOM   3818 HG13 ILE A 269      33.843 -10.774  -7.295  1.00 56.76           H  
-ATOM   3819 HG12 ILE A 269      32.679 -10.569  -8.550  1.00 56.76           H  
-ATOM   3820 HG21 ILE A 269      33.777 -11.539 -10.965  1.00 65.25           H  
-ATOM   3821 HG22 ILE A 269      33.765 -13.276 -10.823  1.00 65.25           H  
-ATOM   3822 HG23 ILE A 269      32.346 -12.348 -10.332  1.00 65.25           H  
-ATOM   3823 HD11 ILE A 269      34.867  -8.964  -8.296  1.00 56.74           H  
-ATOM   3824 HD12 ILE A 269      35.552 -10.152  -9.388  1.00 56.74           H  
-ATOM   3825 HD13 ILE A 269      34.108  -9.271  -9.854  1.00 56.74           H  
-ATOM   3826  N   GLU A 270      34.684 -15.304  -8.750  1.00 55.59           N  
-ATOM   3827  CA  GLU A 270      34.882 -16.608  -9.384  1.00 67.91           C  
-ATOM   3828  C   GLU A 270      34.235 -17.777  -8.636  1.00 59.32           C  
-ATOM   3829  O   GLU A 270      33.548 -18.578  -9.267  1.00 68.73           O  
-ATOM   3830  CB  GLU A 270      36.369 -16.844  -9.700  1.00 65.36           C  
-ATOM   3831  CG  GLU A 270      36.844 -15.950 -10.866  1.00 67.94           C  
-ATOM   3832  CD  GLU A 270      38.319 -16.102 -11.261  1.00 68.41           C  
-ATOM   3833  OE1 GLU A 270      39.137 -16.519 -10.412  1.00 73.45           O  
-ATOM   3834  OE2 GLU A 270      38.615 -15.774 -12.430  1.00 82.83           O1-
-ATOM   3835  H   GLU A 270      35.525 -14.817  -8.465  1.00 55.59           H  
-ATOM   3836  HA  GLU A 270      34.369 -16.561 -10.334  1.00 67.91           H  
-ATOM   3837  HB3 GLU A 270      36.544 -17.893  -9.945  1.00 65.36           H  
-ATOM   3838  HB2 GLU A 270      36.960 -16.636  -8.807  1.00 65.36           H  
-ATOM   3839  HG3 GLU A 270      36.674 -14.900 -10.629  1.00 67.94           H  
-ATOM   3840  HG2 GLU A 270      36.228 -16.159 -11.742  1.00 67.94           H  
-ATOM   3841  N   SER A 271      34.396 -17.814  -7.306  1.00 54.81           N  
-ATOM   3842  CA  SER A 271      33.689 -18.754  -6.440  1.00 61.98           C  
-ATOM   3843  C   SER A 271      32.168 -18.528  -6.447  1.00 55.33           C  
-ATOM   3844  O   SER A 271      31.434 -19.502  -6.581  1.00 58.27           O  
-ATOM   3845  CB  SER A 271      34.320 -18.756  -5.036  1.00 58.94           C  
-ATOM   3846  OG  SER A 271      34.297 -17.487  -4.422  1.00 84.18           O  
-ATOM   3847  H   SER A 271      34.974 -17.120  -6.851  1.00 54.81           H  
-ATOM   3848  HA  SER A 271      33.855 -19.752  -6.851  1.00 61.98           H  
-ATOM   3849  HB3 SER A 271      35.358 -19.086  -5.097  1.00 58.94           H  
-ATOM   3850  HB2 SER A 271      33.809 -19.471  -4.391  1.00 58.94           H  
-ATOM   3851  HG  SER A 271      34.963 -16.934  -4.845  1.00 84.18           H  
-ATOM   3852  N   GLY A 272      31.730 -17.261  -6.382  1.00 57.01           N  
-ATOM   3853  CA  GLY A 272      30.326 -16.865  -6.360  1.00 53.57           C  
-ATOM   3854  C   GLY A 272      29.562 -17.224  -7.637  1.00 53.64           C  
-ATOM   3855  O   GLY A 272      28.409 -17.626  -7.520  1.00 53.47           O  
-ATOM   3856  H   GLY A 272      32.405 -16.514  -6.289  1.00 57.01           H  
-ATOM   3857  HA3 GLY A 272      30.279 -15.801  -6.164  1.00 53.57           H  
-ATOM   3858  HA2 GLY A 272      29.809 -17.329  -5.529  1.00 53.57           H  
-ATOM   3859  N   TRP A 273      30.184 -17.127  -8.824  1.00 54.39           N  
-ATOM   3860  CA  TRP A 273      29.540 -17.476 -10.090  1.00 63.37           C  
-ATOM   3861  C   TRP A 273      29.903 -18.874 -10.606  1.00 69.49           C  
-ATOM   3862  O   TRP A 273      29.524 -19.168 -11.733  1.00 75.81           O  
-ATOM   3863  CB  TRP A 273      29.759 -16.371 -11.147  1.00 55.91           C  
-ATOM   3864  CG  TRP A 273      31.122 -16.117 -11.729  1.00 53.04           C  
-ATOM   3865  CD1 TRP A 273      32.150 -16.989 -11.874  1.00 57.17           C  
-ATOM   3866  NE1 TRP A 273      33.197 -16.376 -12.521  1.00 55.85           N  
-ATOM   3867  CE2 TRP A 273      32.895 -15.078 -12.851  1.00 54.06           C  
-ATOM   3868  CD2 TRP A 273      31.565 -14.888 -12.370  1.00 55.49           C  
-ATOM   3869  CE3 TRP A 273      30.973 -13.625 -12.596  1.00 63.86           C  
-ATOM   3870  CZ3 TRP A 273      31.683 -12.598 -13.247  1.00 58.61           C  
-ATOM   3871  CH2 TRP A 273      32.997 -12.818 -13.700  1.00 60.69           C  
-ATOM   3872  CZ2 TRP A 273      33.606 -14.070 -13.514  1.00 55.05           C  
-ATOM   3873  H   TRP A 273      31.133 -16.778  -8.874  1.00 54.39           H  
-ATOM   3874  HA  TRP A 273      28.464 -17.498  -9.932  1.00 63.37           H  
-ATOM   3875  HB3 TRP A 273      29.397 -15.428 -10.739  1.00 55.91           H  
-ATOM   3876  HB2 TRP A 273      29.106 -16.566 -11.996  1.00 55.91           H  
-ATOM   3877  HD1 TRP A 273      32.173 -18.010 -11.534  1.00 57.17           H  
-ATOM   3878  HE1 TRP A 273      34.070 -16.845 -12.715  1.00 55.85           H  
-ATOM   3879  HE3 TRP A 273      29.968 -13.438 -12.246  1.00 63.86           H  
-ATOM   3880  HZ3 TRP A 273      31.217 -11.635 -13.395  1.00 58.61           H  
-ATOM   3881  HH2 TRP A 273      33.536 -12.024 -14.191  1.00 60.69           H  
-ATOM   3882  HZ2 TRP A 273      34.603 -14.257 -13.882  1.00 55.05           H  
-ATOM   3883  N   ALA A 274      30.631 -19.704  -9.834  1.00 65.68           N  
-ATOM   3884  CA  ALA A 274      31.089 -21.046 -10.237  1.00 68.25           C  
-ATOM   3885  C   ALA A 274      29.961 -21.907 -10.831  1.00 65.79           C  
-ATOM   3886  O   ALA A 274      28.841 -21.822 -10.335  1.00 60.20           O  
-ATOM   3887  CB  ALA A 274      31.701 -21.747  -9.017  1.00 66.63           C  
-ATOM   3888  H   ALA A 274      30.921 -19.397  -8.917  1.00 65.68           H  
-ATOM   3889  HA  ALA A 274      31.866 -20.914 -10.992  1.00 68.25           H  
-ATOM   3890  HB1 ALA A 274      32.070 -22.741  -9.270  1.00 66.63           H  
-ATOM   3891  HB2 ALA A 274      32.545 -21.181  -8.621  1.00 66.63           H  
-ATOM   3892  HB3 ALA A 274      30.972 -21.861  -8.213  1.00 66.63           H  
-ATOM   3893  N   GLN A 275      30.242 -22.680 -11.895  1.00 64.65           N  
-ATOM   3894  CA  GLN A 275      29.234 -23.484 -12.607  1.00 68.75           C  
-ATOM   3895  C   GLN A 275      28.470 -24.450 -11.685  1.00 63.71           C  
-ATOM   3896  O   GLN A 275      27.250 -24.535 -11.796  1.00 67.74           O  
-ATOM   3897  CB  GLN A 275      29.885 -24.232 -13.792  1.00 69.30           C  
-ATOM   3898  CG  GLN A 275      28.915 -25.023 -14.711  1.00 79.96           C  
-ATOM   3899  CD  GLN A 275      28.049 -24.189 -15.664  1.00 91.34           C  
-ATOM   3900  OE1 GLN A 275      27.013 -24.650 -16.133  1.00 77.65           O  
-ATOM   3901  NE2 GLN A 275      28.468 -22.976 -16.004  1.00 81.98           N  
-ATOM   3902  H   GLN A 275      31.187 -22.722 -12.251  1.00 64.65           H  
-ATOM   3903  HA  GLN A 275      28.498 -22.787 -13.009  1.00 68.75           H  
-ATOM   3904  HB3 GLN A 275      30.617 -24.934 -13.391  1.00 69.30           H  
-ATOM   3905  HB2 GLN A 275      30.476 -23.535 -14.387  1.00 69.30           H  
-ATOM   3906  HG3 GLN A 275      28.274 -25.689 -14.133  1.00 79.96           H  
-ATOM   3907  HG2 GLN A 275      29.511 -25.680 -15.344  1.00 79.96           H  
-ATOM   3908 HE22 GLN A 275      27.934 -22.441 -16.674  1.00 81.98           H  
-ATOM   3909 HE21 GLN A 275      29.353 -22.630 -15.663  1.00 81.98           H  
-ATOM   3910  N   ASN A 276      29.196 -25.105 -10.769  1.00 61.25           N  
-ATOM   3911  CA  ASN A 276      28.650 -25.976  -9.738  1.00 68.60           C  
-ATOM   3912  C   ASN A 276      28.132 -25.099  -8.579  1.00 68.46           C  
-ATOM   3913  O   ASN A 276      28.946 -24.411  -7.958  1.00 61.56           O  
-ATOM   3914  CB  ASN A 276      29.768 -26.932  -9.266  1.00 72.11           C  
-ATOM   3915  CG  ASN A 276      29.302 -28.023  -8.294  1.00 68.89           C  
-ATOM   3916  OD1 ASN A 276      28.116 -28.167  -8.009  1.00 71.59           O  
-ATOM   3917  ND2 ASN A 276      30.250 -28.801  -7.775  1.00 81.42           N  
-ATOM   3918  H   ASN A 276      30.201 -24.968 -10.742  1.00 61.25           H  
-ATOM   3919  HA  ASN A 276      27.874 -26.592 -10.189  1.00 68.60           H  
-ATOM   3920  HB3 ASN A 276      30.573 -26.365  -8.803  1.00 72.11           H  
-ATOM   3921  HB2 ASN A 276      30.198 -27.440 -10.129  1.00 72.11           H  
-ATOM   3922 HD22 ASN A 276      30.001 -29.538  -7.132  1.00 81.42           H  
-ATOM   3923 HD21 ASN A 276      31.223 -28.649  -8.012  1.00 81.42           H  
-ATOM   3924  N   PRO A 277      26.810 -25.150  -8.286  1.00 66.91           N  
-ATOM   3925  CA  PRO A 277      26.226 -24.470  -7.115  1.00 68.13           C  
-ATOM   3926  C   PRO A 277      26.934 -24.747  -5.781  1.00 75.64           C  
-ATOM   3927  O   PRO A 277      27.136 -23.813  -5.010  1.00 80.02           O  
-ATOM   3928  CB  PRO A 277      24.769 -24.958  -7.088  1.00 70.04           C  
-ATOM   3929  CG  PRO A 277      24.465 -25.321  -8.525  1.00 69.49           C  
-ATOM   3930  CD  PRO A 277      25.782 -25.886  -9.025  1.00 68.76           C  
-ATOM   3931  HA  PRO A 277      26.243 -23.400  -7.316  1.00 68.13           H  
-ATOM   3932  HB3 PRO A 277      24.080 -24.206  -6.707  1.00 70.04           H  
-ATOM   3933  HB2 PRO A 277      24.663 -25.847  -6.464  1.00 70.04           H  
-ATOM   3934  HG3 PRO A 277      24.237 -24.411  -9.074  1.00 69.49           H  
-ATOM   3935  HG2 PRO A 277      23.623 -26.005  -8.636  1.00 69.49           H  
-ATOM   3936  HD2 PRO A 277      25.857 -26.946  -8.781  1.00 68.76           H  
-ATOM   3937  HD3 PRO A 277      25.842 -25.776 -10.105  1.00 68.76           H  
-ATOM   3938  N   ASP A 278      27.337 -26.010  -5.562  1.00 76.56           N  
-ATOM   3939  CA  ASP A 278      28.023 -26.496  -4.361  1.00 80.37           C  
-ATOM   3940  C   ASP A 278      29.365 -25.796  -4.067  1.00 67.72           C  
-ATOM   3941  O   ASP A 278      29.723 -25.699  -2.896  1.00 77.25           O  
-ATOM   3942  CB  ASP A 278      28.223 -28.032  -4.377  1.00 83.25           C  
-ATOM   3943  CG  ASP A 278      26.958 -28.869  -4.645  1.00 95.48           C  
-ATOM   3944  OD1 ASP A 278      25.856 -28.440  -4.232  1.00 82.68           O  
-ATOM   3945  OD2 ASP A 278      27.134 -29.999  -5.148  1.00117.87           O1-
-ATOM   3946  H   ASP A 278      27.140 -26.714  -6.259  1.00 76.56           H  
-ATOM   3947  HA  ASP A 278      27.370 -26.257  -3.520  1.00 80.37           H  
-ATOM   3948  HB3 ASP A 278      28.625 -28.360  -3.418  1.00 83.25           H  
-ATOM   3949  HB2 ASP A 278      28.966 -28.285  -5.136  1.00 83.25           H  
-ATOM   3950  N   GLU A 279      30.058 -25.293  -5.105  1.00 59.59           N  
-ATOM   3951  CA  GLU A 279      31.312 -24.539  -4.978  1.00 70.41           C  
-ATOM   3952  C   GLU A 279      31.113 -23.051  -4.636  1.00 68.99           C  
-ATOM   3953  O   GLU A 279      32.108 -22.368  -4.388  1.00 62.57           O  
-ATOM   3954  CB  GLU A 279      32.141 -24.682  -6.269  1.00 75.04           C  
-ATOM   3955  CG  GLU A 279      32.612 -26.127  -6.536  1.00 91.13           C  
-ATOM   3956  CD  GLU A 279      33.261 -26.339  -7.911  1.00 96.36           C  
-ATOM   3957  OE1 GLU A 279      33.837 -25.374  -8.462  1.00 86.91           O  
-ATOM   3958  OE2 GLU A 279      33.146 -27.478  -8.412  1.00104.27           O1-
-ATOM   3959  H   GLU A 279      29.695 -25.396  -6.041  1.00 59.59           H  
-ATOM   3960  HA  GLU A 279      31.896 -24.967  -4.163  1.00 70.41           H  
-ATOM   3961  HB3 GLU A 279      33.013 -24.027  -6.226  1.00 75.04           H  
-ATOM   3962  HB2 GLU A 279      31.546 -24.333  -7.114  1.00 75.04           H  
-ATOM   3963  HG3 GLU A 279      31.768 -26.810  -6.440  1.00 91.13           H  
-ATOM   3964  HG2 GLU A 279      33.329 -26.423  -5.771  1.00 91.13           H  
-ATOM   3965  N   ARG A 280      29.863 -22.559  -4.627  1.00 67.16           N  
-ATOM   3966  CA  ARG A 280      29.561 -21.165  -4.313  1.00 70.15           C  
-ATOM   3967  C   ARG A 280      29.461 -20.948  -2.797  1.00 63.99           C  
-ATOM   3968  O   ARG A 280      28.866 -21.779  -2.116  1.00 61.30           O  
-ATOM   3969  CB  ARG A 280      28.256 -20.735  -4.983  1.00 66.14           C  
-ATOM   3970  CG  ARG A 280      28.263 -20.876  -6.505  1.00 68.31           C  
-ATOM   3971  CD  ARG A 280      26.911 -20.475  -7.080  1.00 65.79           C  
-ATOM   3972  NE  ARG A 280      26.795 -20.874  -8.478  1.00 63.75           N  
-ATOM   3973  CZ  ARG A 280      25.670 -21.209  -9.116  1.00 65.58           C  
-ATOM   3974  NH1 ARG A 280      24.469 -21.110  -8.535  1.00 59.96           N  
-ATOM   3975  NH2 ARG A 280      25.766 -21.667 -10.364  1.00 65.09           N1+
-ATOM   3976  H   ARG A 280      29.078 -23.162  -4.835  1.00 67.16           H  
-ATOM   3977  HA  ARG A 280      30.362 -20.570  -4.731  1.00 70.15           H  
-ATOM   3978  HB3 ARG A 280      28.087 -19.687  -4.745  1.00 66.14           H  
-ATOM   3979  HB2 ARG A 280      27.416 -21.286  -4.561  1.00 66.14           H  
-ATOM   3980  HG3 ARG A 280      28.563 -21.870  -6.840  1.00 68.31           H  
-ATOM   3981  HG2 ARG A 280      29.016 -20.188  -6.885  1.00 68.31           H  
-ATOM   3982  HD3 ARG A 280      26.812 -19.395  -7.099  1.00 65.79           H  
-ATOM   3983  HD2 ARG A 280      26.102 -20.832  -6.458  1.00 65.79           H  
-ATOM   3984  HE  ARG A 280      27.670 -20.994  -8.976  1.00 63.75           H  
-ATOM   3985 HH12 ARG A 280      23.635 -21.437  -9.017  1.00 59.96           H  
-ATOM   3986 HH11 ARG A 280      24.375 -20.710  -7.612  1.00 59.96           H  
-ATOM   3987 HH22 ARG A 280      24.934 -22.010 -10.834  1.00 65.09           H  
-ATOM   3988 HH21 ARG A 280      26.673 -21.794 -10.791  1.00 65.09           H  
-ATOM   3989  N   PRO A 281      30.031 -19.839  -2.282  1.00 63.00           N  
-ATOM   3990  CA  PRO A 281      29.975 -19.530  -0.852  1.00 57.53           C  
-ATOM   3991  C   PRO A 281      28.557 -19.184  -0.365  1.00 58.38           C  
-ATOM   3992  O   PRO A 281      27.738 -18.679  -1.129  1.00 59.72           O  
-ATOM   3993  CB  PRO A 281      30.947 -18.346  -0.707  1.00 59.03           C  
-ATOM   3994  CG  PRO A 281      30.936 -17.651  -2.054  1.00 57.20           C  
-ATOM   3995  CD  PRO A 281      30.738 -18.802  -3.027  1.00 61.11           C  
-ATOM   3996  HA  PRO A 281      30.350 -20.381  -0.285  1.00 57.53           H  
-ATOM   3997  HB3 PRO A 281      31.948 -18.731  -0.512  1.00 59.03           H  
-ATOM   3998  HB2 PRO A 281      30.700 -17.666   0.110  1.00 59.03           H  
-ATOM   3999  HG3 PRO A 281      31.837 -17.069  -2.253  1.00 57.20           H  
-ATOM   4000  HG2 PRO A 281      30.088 -16.971  -2.097  1.00 57.20           H  
-ATOM   4001  HD2 PRO A 281      30.170 -18.485  -3.889  1.00 61.11           H  
-ATOM   4002  HD3 PRO A 281      31.700 -19.195  -3.356  1.00 61.11           H  
-ATOM   4003  N   SER A 282      28.313 -19.429   0.928  1.00 51.21           N  
-ATOM   4004  CA  SER A 282      27.219 -18.803   1.670  1.00 50.09           C  
-ATOM   4005  C   SER A 282      27.463 -17.287   1.801  1.00 45.76           C  
-ATOM   4006  O   SER A 282      28.604 -16.837   1.664  1.00 44.83           O  
-ATOM   4007  CB  SER A 282      27.090 -19.496   3.041  1.00 48.75           C  
-ATOM   4008  OG  SER A 282      28.206 -19.251   3.876  1.00 53.11           O  
-ATOM   4009  H   SER A 282      29.023 -19.890   1.482  1.00 51.21           H  
-ATOM   4010  HA  SER A 282      26.293 -18.958   1.115  1.00 50.09           H  
-ATOM   4011  HB3 SER A 282      26.969 -20.572   2.914  1.00 48.75           H  
-ATOM   4012  HB2 SER A 282      26.196 -19.142   3.555  1.00 48.75           H  
-ATOM   4013  HG  SER A 282      28.933 -19.808   3.583  1.00 53.11           H  
-ATOM   4014  N   PHE A 283      26.400 -16.522   2.093  1.00 48.73           N  
-ATOM   4015  CA  PHE A 283      26.541 -15.095   2.388  1.00 47.62           C  
-ATOM   4016  C   PHE A 283      27.316 -14.809   3.681  1.00 49.45           C  
-ATOM   4017  O   PHE A 283      27.977 -13.780   3.742  1.00 52.02           O  
-ATOM   4018  CB  PHE A 283      25.193 -14.365   2.324  1.00 46.70           C  
-ATOM   4019  CG  PHE A 283      24.796 -13.987   0.915  1.00 52.66           C  
-ATOM   4020  CD1 PHE A 283      24.137 -14.915   0.088  1.00 49.26           C  
-ATOM   4021  CE1 PHE A 283      23.864 -14.587  -1.229  1.00 49.57           C  
-ATOM   4022  CZ  PHE A 283      24.275 -13.369  -1.752  1.00 54.51           C  
-ATOM   4023  CD2 PHE A 283      25.250 -12.772   0.360  1.00 49.73           C  
-ATOM   4024  CE2 PHE A 283      24.974 -12.468  -0.963  1.00 48.44           C  
-ATOM   4025  H   PHE A 283      25.480 -16.925   2.192  1.00 48.73           H  
-ATOM   4026  HA  PHE A 283      27.152 -14.668   1.592  1.00 47.62           H  
-ATOM   4027  HB3 PHE A 283      25.247 -13.442   2.894  1.00 46.70           H  
-ATOM   4028  HB2 PHE A 283      24.404 -14.966   2.779  1.00 46.70           H  
-ATOM   4029  HD1 PHE A 283      23.834 -15.874   0.480  1.00 49.26           H  
-ATOM   4030  HE1 PHE A 283      23.324 -15.275  -1.854  1.00 49.57           H  
-ATOM   4031  HZ  PHE A 283      24.047 -13.121  -2.775  1.00 54.51           H  
-ATOM   4032  HD2 PHE A 283      25.809 -12.074   0.966  1.00 49.73           H  
-ATOM   4033  HE2 PHE A 283      25.303 -11.527  -1.378  1.00 48.44           H  
-ATOM   4034  N   LEU A 284      27.292 -15.746   4.643  1.00 53.28           N  
-ATOM   4035  CA  LEU A 284      28.123 -15.717   5.845  1.00 54.09           C  
-ATOM   4036  C   LEU A 284      29.628 -15.756   5.526  1.00 60.42           C  
-ATOM   4037  O   LEU A 284      30.356 -14.897   6.014  1.00 54.82           O  
-ATOM   4038  CB  LEU A 284      27.706 -16.869   6.783  1.00 52.15           C  
-ATOM   4039  CG  LEU A 284      28.501 -16.956   8.104  1.00 55.86           C  
-ATOM   4040  CD1 LEU A 284      28.384 -15.672   8.947  1.00 60.31           C  
-ATOM   4041  CD2 LEU A 284      28.102 -18.202   8.909  1.00 54.67           C  
-ATOM   4042  H   LEU A 284      26.716 -16.567   4.522  1.00 53.28           H  
-ATOM   4043  HA  LEU A 284      27.917 -14.768   6.342  1.00 54.09           H  
-ATOM   4044  HB3 LEU A 284      27.804 -17.813   6.246  1.00 52.15           H  
-ATOM   4045  HB2 LEU A 284      26.644 -16.772   7.015  1.00 52.15           H  
-ATOM   4046  HG  LEU A 284      29.554 -17.097   7.861  1.00 55.86           H  
-ATOM   4047 HD11 LEU A 284      28.191 -15.887   9.997  1.00 60.31           H  
-ATOM   4048 HD12 LEU A 284      29.306 -15.092   8.903  1.00 60.31           H  
-ATOM   4049 HD13 LEU A 284      27.577 -15.024   8.606  1.00 60.31           H  
-ATOM   4050 HD21 LEU A 284      28.942 -18.564   9.503  1.00 54.67           H  
-ATOM   4051 HD22 LEU A 284      27.278 -17.996   9.592  1.00 54.67           H  
-ATOM   4052 HD23 LEU A 284      27.787 -19.021   8.262  1.00 54.67           H  
-ATOM   4053  N   LYS A 285      30.058 -16.731   4.706  1.00 56.40           N  
-ATOM   4054  CA  LYS A 285      31.440 -16.886   4.236  1.00 55.53           C  
-ATOM   4055  C   LYS A 285      31.945 -15.636   3.503  1.00 51.03           C  
-ATOM   4056  O   LYS A 285      33.030 -15.146   3.807  1.00 54.57           O  
-ATOM   4057  CB  LYS A 285      31.522 -18.171   3.380  1.00 56.79           C  
-ATOM   4058  CG  LYS A 285      32.746 -18.353   2.463  1.00 62.34           C  
-ATOM   4059  CD  LYS A 285      34.097 -18.432   3.183  1.00 73.34           C  
-ATOM   4060  CE  LYS A 285      35.203 -18.897   2.224  1.00 75.07           C  
-ATOM   4061  NZ  LYS A 285      36.530 -18.868   2.857  1.00 86.61           N1+
-ATOM   4062  H   LYS A 285      29.390 -17.402   4.350  1.00 56.40           H  
-ATOM   4063  HA  LYS A 285      32.067 -17.027   5.117  1.00 55.53           H  
-ATOM   4064  HB3 LYS A 285      30.653 -18.199   2.723  1.00 56.79           H  
-ATOM   4065  HB2 LYS A 285      31.418 -19.040   4.030  1.00 56.79           H  
-ATOM   4066  HG3 LYS A 285      32.779 -17.564   1.712  1.00 62.34           H  
-ATOM   4067  HG2 LYS A 285      32.600 -19.274   1.898  1.00 62.34           H  
-ATOM   4068  HD3 LYS A 285      34.020 -19.117   4.028  1.00 73.34           H  
-ATOM   4069  HD2 LYS A 285      34.351 -17.456   3.597  1.00 73.34           H  
-ATOM   4070  HE3 LYS A 285      35.231 -18.258   1.341  1.00 75.07           H  
-ATOM   4071  HE2 LYS A 285      35.000 -19.911   1.879  1.00 75.07           H  
-ATOM   4072  HZ1 LYS A 285      36.529 -19.430   3.695  1.00 86.61           H  
-ATOM   4073  HZ2 LYS A 285      37.218 -19.222   2.209  1.00 86.61           H  
-ATOM   4074  HZ3 LYS A 285      36.765 -17.910   3.083  1.00 86.61           H  
-ATOM   4075  N   CYS A 286      31.100 -15.125   2.599  1.00 49.45           N  
-ATOM   4076  CA  CYS A 286      31.287 -13.886   1.862  1.00 54.22           C  
-ATOM   4077  C   CYS A 286      31.419 -12.655   2.785  1.00 48.59           C  
-ATOM   4078  O   CYS A 286      32.326 -11.855   2.574  1.00 47.93           O  
-ATOM   4079  CB  CYS A 286      30.176 -13.756   0.803  1.00 61.55           C  
-ATOM   4080  SG  CYS A 286      30.176 -12.173  -0.069  1.00 89.56           S  
-ATOM   4081  H   CYS A 286      30.227 -15.607   2.428  1.00 49.45           H  
-ATOM   4082  HA  CYS A 286      32.235 -13.981   1.331  1.00 54.22           H  
-ATOM   4083  HB3 CYS A 286      29.201 -13.865   1.272  1.00 61.55           H  
-ATOM   4084  HB2 CYS A 286      30.260 -14.557   0.068  1.00 61.55           H  
-ATOM   4085  HG  CYS A 286      29.805 -11.432   0.978  1.00 89.56           H  
-ATOM   4086  N   LEU A 287      30.566 -12.541   3.816  1.00 51.31           N  
-ATOM   4087  CA  LEU A 287      30.648 -11.478   4.822  1.00 49.13           C  
-ATOM   4088  C   LEU A 287      31.908 -11.573   5.686  1.00 54.26           C  
-ATOM   4089  O   LEU A 287      32.505 -10.537   5.957  1.00 50.50           O  
-ATOM   4090  CB  LEU A 287      29.383 -11.455   5.700  1.00 48.12           C  
-ATOM   4091  CG  LEU A 287      28.166 -10.834   4.994  1.00 51.40           C  
-ATOM   4092  CD1 LEU A 287      26.895 -11.103   5.804  1.00 54.16           C  
-ATOM   4093  CD2 LEU A 287      28.357  -9.333   4.732  1.00 51.30           C  
-ATOM   4094  H   LEU A 287      29.825 -13.219   3.940  1.00 51.31           H  
-ATOM   4095  HA  LEU A 287      30.717 -10.530   4.288  1.00 49.13           H  
-ATOM   4096  HB3 LEU A 287      29.570 -10.896   6.618  1.00 48.12           H  
-ATOM   4097  HB2 LEU A 287      29.150 -12.471   6.020  1.00 48.12           H  
-ATOM   4098  HG  LEU A 287      28.030 -11.305   4.022  1.00 51.40           H  
-ATOM   4099 HD11 LEU A 287      26.049 -10.528   5.432  1.00 54.16           H  
-ATOM   4100 HD12 LEU A 287      26.632 -12.157   5.742  1.00 54.16           H  
-ATOM   4101 HD13 LEU A 287      27.029 -10.857   6.857  1.00 54.16           H  
-ATOM   4102 HD21 LEU A 287      27.414  -8.793   4.767  1.00 51.30           H  
-ATOM   4103 HD22 LEU A 287      29.027  -8.878   5.461  1.00 51.30           H  
-ATOM   4104 HD23 LEU A 287      28.782  -9.164   3.745  1.00 51.30           H  
-ATOM   4105  N   ILE A 288      32.333 -12.791   6.055  1.00 49.91           N  
-ATOM   4106  CA  ILE A 288      33.575 -13.014   6.797  1.00 49.28           C  
-ATOM   4107  C   ILE A 288      34.829 -12.625   5.981  1.00 50.05           C  
-ATOM   4108  O   ILE A 288      35.812 -12.195   6.580  1.00 54.25           O  
-ATOM   4109  CB  ILE A 288      33.670 -14.471   7.341  1.00 55.45           C  
-ATOM   4110  CG1 ILE A 288      32.611 -14.688   8.449  1.00 60.96           C  
-ATOM   4111  CG2 ILE A 288      35.065 -14.877   7.868  1.00 51.48           C  
-ATOM   4112  CD1 ILE A 288      32.304 -16.160   8.749  1.00 64.48           C  
-ATOM   4113  H   ILE A 288      31.789 -13.611   5.817  1.00 49.91           H  
-ATOM   4114  HA  ILE A 288      33.553 -12.346   7.661  1.00 49.28           H  
-ATOM   4115  HB  ILE A 288      33.426 -15.144   6.519  1.00 55.45           H  
-ATOM   4116 HG13 ILE A 288      31.673 -14.201   8.184  1.00 60.96           H  
-ATOM   4117 HG12 ILE A 288      32.937 -14.192   9.363  1.00 60.96           H  
-ATOM   4118 HG21 ILE A 288      35.056 -15.877   8.297  1.00 51.48           H  
-ATOM   4119 HG22 ILE A 288      35.815 -14.899   7.077  1.00 51.48           H  
-ATOM   4120 HG23 ILE A 288      35.411 -14.191   8.641  1.00 51.48           H  
-ATOM   4121 HD11 ILE A 288      31.403 -16.251   9.354  1.00 64.48           H  
-ATOM   4122 HD12 ILE A 288      32.143 -16.728   7.832  1.00 64.48           H  
-ATOM   4123 HD13 ILE A 288      33.113 -16.633   9.302  1.00 64.48           H  
-ATOM   4124  N   GLU A 289      34.741 -12.700   4.643  1.00 51.27           N  
-ATOM   4125  CA  GLU A 289      35.757 -12.204   3.715  1.00 55.59           C  
-ATOM   4126  C   GLU A 289      35.709 -10.678   3.530  1.00 53.77           C  
-ATOM   4127  O   GLU A 289      36.772 -10.060   3.500  1.00 48.66           O  
-ATOM   4128  CB  GLU A 289      35.613 -12.915   2.359  1.00 62.18           C  
-ATOM   4129  CG  GLU A 289      35.881 -14.437   2.417  1.00 88.40           C  
-ATOM   4130  CD  GLU A 289      37.159 -14.920   1.716  1.00104.67           C  
-ATOM   4131  OE1 GLU A 289      38.097 -14.115   1.516  1.00109.38           O  
-ATOM   4132  OE2 GLU A 289      37.180 -16.127   1.394  1.00115.49           O1-
-ATOM   4133  H   GLU A 289      33.900 -13.073   4.225  1.00 51.27           H  
-ATOM   4134  HA  GLU A 289      36.741 -12.453   4.115  1.00 55.59           H  
-ATOM   4135  HB3 GLU A 289      36.216 -12.413   1.601  1.00 62.18           H  
-ATOM   4136  HB2 GLU A 289      34.594 -12.784   2.000  1.00 62.18           H  
-ATOM   4137  HG3 GLU A 289      35.034 -14.948   1.957  1.00 88.40           H  
-ATOM   4138  HG2 GLU A 289      35.910 -14.791   3.448  1.00 88.40           H  
-ATOM   4139  N   LEU A 290      34.503 -10.094   3.410  1.00 50.01           N  
-ATOM   4140  CA  LEU A 290      34.313  -8.654   3.210  1.00 53.96           C  
-ATOM   4141  C   LEU A 290      34.619  -7.814   4.453  1.00 49.20           C  
-ATOM   4142  O   LEU A 290      35.088  -6.694   4.285  1.00 54.10           O  
-ATOM   4143  CB  LEU A 290      32.875  -8.349   2.744  1.00 52.04           C  
-ATOM   4144  CG  LEU A 290      32.580  -8.696   1.274  1.00 53.35           C  
-ATOM   4145  CD1 LEU A 290      31.072  -8.563   0.998  1.00 53.05           C  
-ATOM   4146  CD2 LEU A 290      33.425  -7.867   0.283  1.00 56.22           C  
-ATOM   4147  H   LEU A 290      33.667 -10.664   3.417  1.00 50.01           H  
-ATOM   4148  HA  LEU A 290      35.013  -8.334   2.438  1.00 53.96           H  
-ATOM   4149  HB3 LEU A 290      32.652  -7.290   2.880  1.00 52.04           H  
-ATOM   4150  HB2 LEU A 290      32.182  -8.877   3.401  1.00 52.04           H  
-ATOM   4151  HG  LEU A 290      32.838  -9.744   1.123  1.00 53.35           H  
-ATOM   4152 HD11 LEU A 290      30.718  -9.396   0.394  1.00 53.05           H  
-ATOM   4153 HD12 LEU A 290      30.479  -8.559   1.912  1.00 53.05           H  
-ATOM   4154 HD13 LEU A 290      30.829  -7.643   0.467  1.00 53.05           H  
-ATOM   4155 HD21 LEU A 290      32.816  -7.382  -0.479  1.00 56.22           H  
-ATOM   4156 HD22 LEU A 290      33.992  -7.080   0.779  1.00 56.22           H  
-ATOM   4157 HD23 LEU A 290      34.139  -8.504  -0.238  1.00 56.22           H  
-ATOM   4158  N   GLU A 291      34.347  -8.330   5.660  1.00 58.35           N  
-ATOM   4159  CA  GLU A 291      34.553  -7.619   6.924  1.00 55.19           C  
-ATOM   4160  C   GLU A 291      35.963  -7.017   7.093  1.00 55.35           C  
-ATOM   4161  O   GLU A 291      36.045  -5.796   7.211  1.00 57.23           O  
-ATOM   4162  CB  GLU A 291      34.153  -8.524   8.099  1.00 48.35           C  
-ATOM   4163  CG  GLU A 291      32.640  -8.494   8.388  1.00 58.71           C  
-ATOM   4164  CD  GLU A 291      32.144  -9.585   9.348  1.00 61.58           C  
-ATOM   4165  OE1 GLU A 291      32.979 -10.273   9.978  1.00 64.02           O  
-ATOM   4166  OE2 GLU A 291      30.905  -9.705   9.456  1.00 60.02           O1-
-ATOM   4167  H   GLU A 291      33.926  -9.249   5.728  1.00 58.35           H  
-ATOM   4168  HA  GLU A 291      33.866  -6.772   6.915  1.00 55.19           H  
-ATOM   4169  HB3 GLU A 291      34.694  -8.239   8.997  1.00 48.35           H  
-ATOM   4170  HB2 GLU A 291      34.448  -9.551   7.875  1.00 48.35           H  
-ATOM   4171  HG3 GLU A 291      32.078  -8.560   7.458  1.00 58.71           H  
-ATOM   4172  HG2 GLU A 291      32.383  -7.525   8.818  1.00 58.71           H  
-ATOM   4173  N   PRO A 292      37.043  -7.828   7.024  1.00 60.04           N  
-ATOM   4174  CA  PRO A 292      38.416  -7.296   7.084  1.00 53.76           C  
-ATOM   4175  C   PRO A 292      38.817  -6.367   5.925  1.00 49.59           C  
-ATOM   4176  O   PRO A 292      39.596  -5.450   6.169  1.00 54.03           O  
-ATOM   4177  CB  PRO A 292      39.300  -8.549   7.175  1.00 52.46           C  
-ATOM   4178  CG  PRO A 292      38.454  -9.662   6.580  1.00 56.52           C  
-ATOM   4179  CD  PRO A 292      37.046  -9.289   6.993  1.00 57.25           C  
-ATOM   4180  HA  PRO A 292      38.530  -6.717   8.001  1.00 53.76           H  
-ATOM   4181  HB3 PRO A 292      39.502  -8.771   8.222  1.00 52.46           H  
-ATOM   4182  HB2 PRO A 292      40.266  -8.442   6.681  1.00 52.46           H  
-ATOM   4183  HG3 PRO A 292      38.750 -10.662   6.897  1.00 56.52           H  
-ATOM   4184  HG2 PRO A 292      38.500  -9.620   5.495  1.00 56.52           H  
-ATOM   4185  HD2 PRO A 292      36.330  -9.720   6.302  1.00 57.25           H  
-ATOM   4186  HD3 PRO A 292      36.833  -9.664   7.994  1.00 57.25           H  
-ATOM   4187  N   VAL A 293      38.251  -6.573   4.723  1.00 55.31           N  
-ATOM   4188  CA  VAL A 293      38.423  -5.682   3.573  1.00 54.79           C  
-ATOM   4189  C   VAL A 293      37.812  -4.284   3.820  1.00 60.50           C  
-ATOM   4190  O   VAL A 293      38.480  -3.290   3.544  1.00 62.25           O  
-ATOM   4191  CB  VAL A 293      37.825  -6.300   2.275  1.00 58.70           C  
-ATOM   4192  CG1 VAL A 293      37.736  -5.338   1.076  1.00 61.89           C  
-ATOM   4193  CG2 VAL A 293      38.591  -7.567   1.859  1.00 55.85           C  
-ATOM   4194  H   VAL A 293      37.607  -7.340   4.598  1.00 55.31           H  
-ATOM   4195  HA  VAL A 293      39.496  -5.548   3.418  1.00 54.79           H  
-ATOM   4196  HB  VAL A 293      36.806  -6.619   2.482  1.00 58.70           H  
-ATOM   4197 HG11 VAL A 293      37.432  -5.870   0.176  1.00 61.89           H  
-ATOM   4198 HG12 VAL A 293      37.003  -4.547   1.236  1.00 61.89           H  
-ATOM   4199 HG13 VAL A 293      38.696  -4.868   0.875  1.00 61.89           H  
-ATOM   4200 HG21 VAL A 293      38.133  -8.040   0.991  1.00 55.85           H  
-ATOM   4201 HG22 VAL A 293      39.626  -7.339   1.605  1.00 55.85           H  
-ATOM   4202 HG23 VAL A 293      38.603  -8.307   2.657  1.00 55.85           H  
-ATOM   4203  N   LEU A 294      36.583  -4.227   4.365  1.00 53.16           N  
-ATOM   4204  CA  LEU A 294      35.885  -2.977   4.677  1.00 58.12           C  
-ATOM   4205  C   LEU A 294      36.536  -2.173   5.815  1.00 58.12           C  
-ATOM   4206  O   LEU A 294      36.502  -0.944   5.753  1.00 59.09           O  
-ATOM   4207  CB  LEU A 294      34.385  -3.243   4.950  1.00 47.25           C  
-ATOM   4208  CG  LEU A 294      33.476  -3.016   3.725  1.00 55.00           C  
-ATOM   4209  CD1 LEU A 294      33.392  -1.528   3.332  1.00 52.43           C  
-ATOM   4210  CD2 LEU A 294      33.856  -3.916   2.538  1.00 52.09           C  
-ATOM   4211  H   LEU A 294      36.082  -5.084   4.564  1.00 53.16           H  
-ATOM   4212  HA  LEU A 294      35.962  -2.355   3.788  1.00 58.12           H  
-ATOM   4213  HB3 LEU A 294      34.021  -2.595   5.748  1.00 47.25           H  
-ATOM   4214  HB2 LEU A 294      34.247  -4.255   5.332  1.00 47.25           H  
-ATOM   4215  HG  LEU A 294      32.476  -3.313   4.031  1.00 55.00           H  
-ATOM   4216 HD11 LEU A 294      32.386  -1.142   3.494  1.00 52.43           H  
-ATOM   4217 HD12 LEU A 294      34.063  -0.914   3.929  1.00 52.43           H  
-ATOM   4218 HD13 LEU A 294      33.646  -1.355   2.289  1.00 52.43           H  
-ATOM   4219 HD21 LEU A 294      33.104  -3.877   1.755  1.00 52.09           H  
-ATOM   4220 HD22 LEU A 294      34.806  -3.622   2.093  1.00 52.09           H  
-ATOM   4221 HD23 LEU A 294      33.939  -4.957   2.840  1.00 52.09           H  
-ATOM   4222  N   ARG A 295      37.149  -2.859   6.798  1.00 58.39           N  
-ATOM   4223  CA  ARG A 295      37.897  -2.222   7.890  1.00 56.44           C  
-ATOM   4224  C   ARG A 295      39.177  -1.496   7.446  1.00 56.16           C  
-ATOM   4225  O   ARG A 295      39.661  -0.681   8.229  1.00 54.89           O  
-ATOM   4226  CB  ARG A 295      38.293  -3.237   8.975  1.00 61.55           C  
-ATOM   4227  CG  ARG A 295      37.134  -3.833   9.775  1.00 70.16           C  
-ATOM   4228  CD  ARG A 295      37.672  -4.764  10.872  1.00 77.58           C  
-ATOM   4229  NE  ARG A 295      36.752  -5.879  11.147  1.00 87.85           N  
-ATOM   4230  CZ  ARG A 295      37.030  -7.194  11.051  1.00 80.43           C  
-ATOM   4231  NH1 ARG A 295      38.247  -7.655  10.726  1.00 71.05           N  
-ATOM   4232  NH2 ARG A 295      36.061  -8.081  11.300  1.00 96.98           N1+
-ATOM   4233  H   ARG A 295      37.131  -3.870   6.788  1.00 58.39           H  
-ATOM   4234  HA  ARG A 295      37.251  -1.469   8.345  1.00 56.44           H  
-ATOM   4235  HB3 ARG A 295      38.963  -2.762   9.693  1.00 61.55           H  
-ATOM   4236  HB2 ARG A 295      38.870  -4.042   8.517  1.00 61.55           H  
-ATOM   4237  HG3 ARG A 295      36.411  -4.323   9.129  1.00 70.16           H  
-ATOM   4238  HG2 ARG A 295      36.598  -3.009  10.247  1.00 70.16           H  
-ATOM   4239  HD3 ARG A 295      37.703  -4.200  11.804  1.00 77.58           H  
-ATOM   4240  HD2 ARG A 295      38.700  -5.070  10.683  1.00 77.58           H  
-ATOM   4241  HE  ARG A 295      35.815  -5.611  11.415  1.00 87.85           H  
-ATOM   4242 HH12 ARG A 295      38.422  -8.647  10.660  1.00 71.05           H  
-ATOM   4243 HH11 ARG A 295      39.000  -7.005  10.555  1.00 71.05           H  
-ATOM   4244 HH22 ARG A 295      36.237  -9.072  11.221  1.00 96.98           H  
-ATOM   4245 HH21 ARG A 295      35.137  -7.777  11.575  1.00 96.98           H  
-ATOM   4246  N   THR A 296      39.718  -1.779   6.247  1.00 56.66           N  
-ATOM   4247  CA  THR A 296      40.902  -1.075   5.738  1.00 55.41           C  
-ATOM   4248  C   THR A 296      40.610   0.365   5.263  1.00 67.64           C  
-ATOM   4249  O   THR A 296      41.557   1.147   5.189  1.00 71.79           O  
-ATOM   4250  CB  THR A 296      41.615  -1.834   4.589  1.00 57.18           C  
-ATOM   4251  OG1 THR A 296      40.886  -1.813   3.376  1.00 59.83           O  
-ATOM   4252  CG2 THR A 296      41.994  -3.273   4.949  1.00 53.02           C  
-ATOM   4253  H   THR A 296      39.289  -2.463   5.640  1.00 56.66           H  
-ATOM   4254  HA  THR A 296      41.620  -0.993   6.557  1.00 55.41           H  
-ATOM   4255  HB  THR A 296      42.550  -1.310   4.385  1.00 57.18           H  
-ATOM   4256  HG1 THR A 296      40.063  -2.300   3.497  1.00 59.83           H  
-ATOM   4257 HG21 THR A 296      42.707  -3.676   4.234  1.00 53.02           H  
-ATOM   4258 HG22 THR A 296      42.456  -3.327   5.934  1.00 53.02           H  
-ATOM   4259 HG23 THR A 296      41.122  -3.923   4.946  1.00 53.02           H  
-ATOM   4260  N   PHE A 297      39.339   0.706   4.982  1.00 63.26           N  
-ATOM   4261  CA  PHE A 297      38.933   2.060   4.604  1.00 58.67           C  
-ATOM   4262  C   PHE A 297      38.573   2.862   5.862  1.00 63.49           C  
-ATOM   4263  O   PHE A 297      37.656   2.466   6.585  1.00 61.48           O  
-ATOM   4264  CB  PHE A 297      37.707   2.017   3.668  1.00 55.32           C  
-ATOM   4265  CG  PHE A 297      37.863   1.250   2.370  1.00 57.25           C  
-ATOM   4266  CD1 PHE A 297      38.511   1.826   1.260  1.00 60.62           C  
-ATOM   4267  CE1 PHE A 297      38.642   1.100   0.083  1.00 62.00           C  
-ATOM   4268  CZ  PHE A 297      38.179  -0.208   0.011  1.00 64.61           C  
-ATOM   4269  CD2 PHE A 297      37.442  -0.092   2.296  1.00 57.33           C  
-ATOM   4270  CE2 PHE A 297      37.593  -0.807   1.118  1.00 62.86           C  
-ATOM   4271  H   PHE A 297      38.597   0.028   5.090  1.00 63.26           H  
-ATOM   4272  HA  PHE A 297      39.746   2.560   4.074  1.00 58.67           H  
-ATOM   4273  HB3 PHE A 297      37.416   3.036   3.410  1.00 55.32           H  
-ATOM   4274  HB2 PHE A 297      36.852   1.595   4.197  1.00 55.32           H  
-ATOM   4275  HD1 PHE A 297      38.888   2.836   1.320  1.00 60.62           H  
-ATOM   4276  HE1 PHE A 297      39.113   1.552  -0.776  1.00 62.00           H  
-ATOM   4277  HZ  PHE A 297      38.293  -0.769  -0.905  1.00 64.61           H  
-ATOM   4278  HD2 PHE A 297      36.987  -0.557   3.154  1.00 57.33           H  
-ATOM   4279  HE2 PHE A 297      37.252  -1.831   1.063  1.00 62.86           H  
-ATOM   4280  N   GLU A 298      39.247   4.009   6.057  1.00 71.37           N  
-ATOM   4281  CA  GLU A 298      38.884   5.016   7.060  1.00 66.96           C  
-ATOM   4282  C   GLU A 298      37.447   5.514   6.863  1.00 58.81           C  
-ATOM   4283  O   GLU A 298      37.034   5.698   5.720  1.00 61.07           O  
-ATOM   4284  CB  GLU A 298      39.874   6.201   6.992  1.00 73.81           C  
-ATOM   4285  CG  GLU A 298      41.279   5.879   7.537  1.00 83.31           C  
-ATOM   4286  CD  GLU A 298      41.321   5.519   9.030  1.00 93.89           C  
-ATOM   4287  OE1 GLU A 298      40.504   6.073   9.801  1.00100.97           O  
-ATOM   4288  OE2 GLU A 298      42.181   4.683   9.378  1.00 97.66           O1-
-ATOM   4289  H   GLU A 298      39.993   4.263   5.427  1.00 71.37           H  
-ATOM   4290  HA  GLU A 298      38.933   4.537   8.038  1.00 66.96           H  
-ATOM   4291  HB3 GLU A 298      39.469   7.078   7.497  1.00 73.81           H  
-ATOM   4292  HB2 GLU A 298      39.989   6.504   5.954  1.00 73.81           H  
-ATOM   4293  HG3 GLU A 298      41.927   6.743   7.388  1.00 83.31           H  
-ATOM   4294  HG2 GLU A 298      41.718   5.070   6.950  1.00 83.31           H  
-ATOM   4295  N   GLU A 299      36.718   5.706   7.974  1.00 66.62           N  
-ATOM   4296  CA  GLU A 299      35.299   6.084   7.993  1.00 65.84           C  
-ATOM   4297  C   GLU A 299      34.964   7.312   7.134  1.00 64.24           C  
-ATOM   4298  O   GLU A 299      33.963   7.294   6.422  1.00 68.02           O  
-ATOM   4299  CB  GLU A 299      34.820   6.290   9.451  1.00 81.85           C  
-ATOM   4300  CG  GLU A 299      34.023   5.093  10.015  1.00105.23           C  
-ATOM   4301  CD  GLU A 299      32.612   4.914   9.422  1.00120.44           C  
-ATOM   4302  OE1 GLU A 299      32.220   3.740   9.242  1.00 99.22           O  
-ATOM   4303  OE2 GLU A 299      31.936   5.935   9.167  1.00117.15           O1-
-ATOM   4304  H   GLU A 299      37.139   5.535   8.875  1.00 66.62           H  
-ATOM   4305  HA  GLU A 299      34.762   5.241   7.561  1.00 65.84           H  
-ATOM   4306  HB3 GLU A 299      34.236   7.206   9.558  1.00 81.85           H  
-ATOM   4307  HB2 GLU A 299      35.684   6.452  10.097  1.00 81.85           H  
-ATOM   4308  HG3 GLU A 299      33.907   5.221  11.090  1.00105.23           H  
-ATOM   4309  HG2 GLU A 299      34.604   4.179   9.881  1.00105.23           H  
-ATOM   4310  N   ILE A 300      35.819   8.343   7.193  1.00 66.30           N  
-ATOM   4311  CA  ILE A 300      35.581   9.604   6.501  1.00 55.58           C  
-ATOM   4312  C   ILE A 300      35.715   9.513   4.968  1.00 53.15           C  
-ATOM   4313  O   ILE A 300      35.087  10.313   4.279  1.00 53.16           O  
-ATOM   4314  CB  ILE A 300      36.491  10.730   7.050  1.00 56.11           C  
-ATOM   4315  CG1 ILE A 300      35.953  12.130   6.677  1.00 55.59           C  
-ATOM   4316  CG2 ILE A 300      37.982  10.583   6.677  1.00 48.82           C  
-ATOM   4317  CD1 ILE A 300      36.104  13.155   7.801  1.00 68.03           C  
-ATOM   4318  H   ILE A 300      36.629   8.298   7.798  1.00 66.30           H  
-ATOM   4319  HA  ILE A 300      34.545   9.878   6.711  1.00 55.58           H  
-ATOM   4320  HB  ILE A 300      36.436  10.649   8.136  1.00 56.11           H  
-ATOM   4321 HG13 ILE A 300      34.889  12.077   6.446  1.00 55.59           H  
-ATOM   4322 HG12 ILE A 300      36.425  12.495   5.765  1.00 55.59           H  
-ATOM   4323 HG21 ILE A 300      38.592  11.299   7.228  1.00 48.82           H  
-ATOM   4324 HG22 ILE A 300      38.357   9.587   6.910  1.00 48.82           H  
-ATOM   4325 HG23 ILE A 300      38.160  10.761   5.616  1.00 48.82           H  
-ATOM   4326 HD11 ILE A 300      35.847  14.154   7.449  1.00 68.03           H  
-ATOM   4327 HD12 ILE A 300      35.449  12.919   8.639  1.00 68.03           H  
-ATOM   4328 HD13 ILE A 300      37.129  13.188   8.171  1.00 68.03           H  
-ATOM   4329  N   THR A 301      36.450   8.514   4.450  1.00 56.58           N  
-ATOM   4330  CA  THR A 301      36.531   8.252   3.012  1.00 58.91           C  
-ATOM   4331  C   THR A 301      35.189   7.790   2.401  1.00 56.01           C  
-ATOM   4332  O   THR A 301      34.996   8.009   1.206  1.00 59.94           O  
-ATOM   4333  CB  THR A 301      37.629   7.224   2.648  1.00 59.44           C  
-ATOM   4334  OG1 THR A 301      37.293   5.897   3.008  1.00 58.79           O  
-ATOM   4335  CG2 THR A 301      39.012   7.595   3.194  1.00 52.33           C  
-ATOM   4336  H   THR A 301      36.924   7.865   5.061  1.00 56.58           H  
-ATOM   4337  HA  THR A 301      36.802   9.191   2.529  1.00 58.91           H  
-ATOM   4338  HB  THR A 301      37.729   7.228   1.565  1.00 59.44           H  
-ATOM   4339  HG1 THR A 301      37.238   5.836   3.968  1.00 58.79           H  
-ATOM   4340 HG21 THR A 301      39.763   6.862   2.901  1.00 52.33           H  
-ATOM   4341 HG22 THR A 301      39.331   8.566   2.814  1.00 52.33           H  
-ATOM   4342 HG23 THR A 301      39.011   7.656   4.281  1.00 52.33           H  
-ATOM   4343  N   PHE A 302      34.265   7.239   3.214  1.00 56.36           N  
-ATOM   4344  CA  PHE A 302      32.893   6.966   2.780  1.00 60.33           C  
-ATOM   4345  C   PHE A 302      32.094   8.265   2.592  1.00 51.29           C  
-ATOM   4346  O   PHE A 302      31.412   8.393   1.580  1.00 54.66           O  
-ATOM   4347  CB  PHE A 302      32.157   6.028   3.753  1.00 51.64           C  
-ATOM   4348  CG  PHE A 302      32.778   4.658   3.947  1.00 52.74           C  
-ATOM   4349  CD1 PHE A 302      32.890   3.750   2.875  1.00 52.55           C  
-ATOM   4350  CE1 PHE A 302      33.493   2.515   3.085  1.00 52.87           C  
-ATOM   4351  CZ  PHE A 302      33.999   2.174   4.325  1.00 52.34           C  
-ATOM   4352  CD2 PHE A 302      33.283   4.287   5.207  1.00 53.20           C  
-ATOM   4353  CE2 PHE A 302      33.896   3.058   5.384  1.00 54.59           C  
-ATOM   4354  H   PHE A 302      34.474   7.081   4.190  1.00 56.36           H  
-ATOM   4355  HA  PHE A 302      32.939   6.466   1.810  1.00 60.33           H  
-ATOM   4356  HB3 PHE A 302      31.155   5.864   3.367  1.00 51.64           H  
-ATOM   4357  HB2 PHE A 302      32.030   6.510   4.723  1.00 51.64           H  
-ATOM   4358  HD1 PHE A 302      32.504   4.010   1.902  1.00 52.55           H  
-ATOM   4359  HE1 PHE A 302      33.592   1.786   2.303  1.00 52.87           H  
-ATOM   4360  HZ  PHE A 302      34.475   1.218   4.473  1.00 52.34           H  
-ATOM   4361  HD2 PHE A 302      33.181   4.953   6.048  1.00 53.20           H  
-ATOM   4362  HE2 PHE A 302      34.285   2.785   6.353  1.00 54.59           H  
-ATOM   4363  N   LEU A 303      32.221   9.213   3.539  1.00 57.36           N  
-ATOM   4364  CA  LEU A 303      31.585  10.534   3.478  1.00 59.40           C  
-ATOM   4365  C   LEU A 303      32.091  11.377   2.299  1.00 53.46           C  
-ATOM   4366  O   LEU A 303      31.276  11.985   1.607  1.00 55.08           O  
-ATOM   4367  CB  LEU A 303      31.801  11.299   4.803  1.00 61.23           C  
-ATOM   4368  CG  LEU A 303      31.169  10.637   6.043  1.00 69.10           C  
-ATOM   4369  CD1 LEU A 303      31.504  11.427   7.321  1.00 68.73           C  
-ATOM   4370  CD2 LEU A 303      29.650  10.423   5.889  1.00 71.13           C  
-ATOM   4371  H   LEU A 303      32.816   9.041   4.336  1.00 57.36           H  
-ATOM   4372  HA  LEU A 303      30.518  10.375   3.317  1.00 59.40           H  
-ATOM   4373  HB3 LEU A 303      31.388  12.304   4.707  1.00 61.23           H  
-ATOM   4374  HB2 LEU A 303      32.868  11.437   4.974  1.00 61.23           H  
-ATOM   4375  HG  LEU A 303      31.630   9.655   6.159  1.00 69.10           H  
-ATOM   4376 HD11 LEU A 303      31.642  10.754   8.166  1.00 68.73           H  
-ATOM   4377 HD12 LEU A 303      32.425  12.001   7.214  1.00 68.73           H  
-ATOM   4378 HD13 LEU A 303      30.716  12.134   7.585  1.00 68.73           H  
-ATOM   4379 HD21 LEU A 303      29.100  10.725   6.781  1.00 71.13           H  
-ATOM   4380 HD22 LEU A 303      29.230  10.987   5.058  1.00 71.13           H  
-ATOM   4381 HD23 LEU A 303      29.427   9.370   5.721  1.00 71.13           H  
-ATOM   4382  N   GLU A 304      33.416  11.365   2.079  1.00 50.95           N  
-ATOM   4383  CA  GLU A 304      34.094  12.050   0.980  1.00 57.68           C  
-ATOM   4384  C   GLU A 304      33.716  11.502  -0.401  1.00 55.78           C  
-ATOM   4385  O   GLU A 304      33.565  12.287  -1.334  1.00 51.72           O  
-ATOM   4386  CB  GLU A 304      35.614  12.022   1.199  1.00 53.60           C  
-ATOM   4387  CG  GLU A 304      36.053  12.988   2.322  1.00 61.74           C  
-ATOM   4388  CD  GLU A 304      37.520  12.883   2.765  1.00 70.21           C  
-ATOM   4389  OE1 GLU A 304      38.249  11.993   2.270  1.00 82.80           O  
-ATOM   4390  OE2 GLU A 304      37.891  13.709   3.625  1.00 74.00           O1-
-ATOM   4391  H   GLU A 304      34.015  10.853   2.714  1.00 50.95           H  
-ATOM   4392  HA  GLU A 304      33.784  13.091   1.020  1.00 57.68           H  
-ATOM   4393  HB3 GLU A 304      36.139  12.279   0.278  1.00 53.60           H  
-ATOM   4394  HB2 GLU A 304      35.911  11.003   1.442  1.00 53.60           H  
-ATOM   4395  HG3 GLU A 304      35.436  12.827   3.206  1.00 61.74           H  
-ATOM   4396  HG2 GLU A 304      35.863  14.013   2.003  1.00 61.74           H  
-ATOM   4397  N   ALA A 305      33.514  10.178  -0.501  1.00 53.58           N  
-ATOM   4398  CA  ALA A 305      32.994   9.539  -1.703  1.00 54.75           C  
-ATOM   4399  C   ALA A 305      31.580  10.031  -2.046  1.00 54.80           C  
-ATOM   4400  O   ALA A 305      31.335  10.346  -3.205  1.00 48.39           O  
-ATOM   4401  CB  ALA A 305      33.022   8.017  -1.534  1.00 60.16           C  
-ATOM   4402  H   ALA A 305      33.670   9.582   0.299  1.00 53.58           H  
-ATOM   4403  HA  ALA A 305      33.656   9.798  -2.531  1.00 54.75           H  
-ATOM   4404  HB1 ALA A 305      32.693   7.521  -2.446  1.00 60.16           H  
-ATOM   4405  HB2 ALA A 305      34.028   7.664  -1.309  1.00 60.16           H  
-ATOM   4406  HB3 ALA A 305      32.374   7.689  -0.724  1.00 60.16           H  
-ATOM   4407  N   VAL A 306      30.704  10.150  -1.034  1.00 47.43           N  
-ATOM   4408  CA  VAL A 306      29.335  10.638  -1.195  1.00 53.46           C  
-ATOM   4409  C   VAL A 306      29.264  12.129  -1.570  1.00 54.64           C  
-ATOM   4410  O   VAL A 306      28.538  12.452  -2.508  1.00 54.77           O  
-ATOM   4411  CB  VAL A 306      28.457  10.366   0.057  1.00 53.53           C  
-ATOM   4412  CG1 VAL A 306      27.073  11.052   0.027  1.00 52.74           C  
-ATOM   4413  CG2 VAL A 306      28.268   8.855   0.266  1.00 63.64           C  
-ATOM   4414  H   VAL A 306      30.981   9.887  -0.099  1.00 47.43           H  
-ATOM   4415  HA  VAL A 306      28.897  10.081  -2.026  1.00 53.46           H  
-ATOM   4416  HB  VAL A 306      28.983  10.738   0.936  1.00 53.53           H  
-ATOM   4417 HG11 VAL A 306      26.411  10.651   0.794  1.00 52.74           H  
-ATOM   4418 HG12 VAL A 306      27.152  12.124   0.212  1.00 52.74           H  
-ATOM   4419 HG13 VAL A 306      26.587  10.921  -0.938  1.00 52.74           H  
-ATOM   4420 HG21 VAL A 306      27.713   8.647   1.179  1.00 63.64           H  
-ATOM   4421 HG22 VAL A 306      27.713   8.415  -0.562  1.00 63.64           H  
-ATOM   4422 HG23 VAL A 306      29.215   8.325   0.333  1.00 63.64           H  
-ATOM   4423  N   ILE A 307      30.018  13.008  -0.881  1.00 57.79           N  
-ATOM   4424  CA  ILE A 307      30.006  14.443  -1.188  1.00 67.71           C  
-ATOM   4425  C   ILE A 307      30.557  14.745  -2.599  1.00 61.23           C  
-ATOM   4426  O   ILE A 307      30.021  15.638  -3.249  1.00 68.41           O  
-ATOM   4427  CB  ILE A 307      30.736  15.315  -0.121  1.00 63.45           C  
-ATOM   4428  CG1 ILE A 307      30.250  16.781  -0.152  1.00 67.01           C  
-ATOM   4429  CG2 ILE A 307      32.271  15.276  -0.212  1.00 67.10           C  
-ATOM   4430  CD1 ILE A 307      30.792  17.643   0.996  1.00 67.33           C  
-ATOM   4431  H   ILE A 307      30.603  12.699  -0.115  1.00 57.79           H  
-ATOM   4432  HA  ILE A 307      28.956  14.743  -1.189  1.00 67.71           H  
-ATOM   4433  HB  ILE A 307      30.464  14.902   0.851  1.00 63.45           H  
-ATOM   4434 HG13 ILE A 307      29.160  16.808  -0.123  1.00 67.01           H  
-ATOM   4435 HG12 ILE A 307      30.534  17.247  -1.095  1.00 67.01           H  
-ATOM   4436 HG21 ILE A 307      32.738  15.676   0.687  1.00 67.10           H  
-ATOM   4437 HG22 ILE A 307      32.603  14.255  -0.320  1.00 67.10           H  
-ATOM   4438 HG23 ILE A 307      32.653  15.840  -1.062  1.00 67.10           H  
-ATOM   4439 HD11 ILE A 307      30.145  18.502   1.173  1.00 67.33           H  
-ATOM   4440 HD12 ILE A 307      30.851  17.080   1.926  1.00 67.33           H  
-ATOM   4441 HD13 ILE A 307      31.788  18.023   0.767  1.00 67.33           H  
-ATOM   4442  N   GLN A 308      31.529  13.950  -3.088  1.00 63.71           N  
-ATOM   4443  CA  GLN A 308      32.048  14.070  -4.453  1.00 61.81           C  
-ATOM   4444  C   GLN A 308      31.012  13.693  -5.535  1.00 61.92           C  
-ATOM   4445  O   GLN A 308      31.149  14.177  -6.655  1.00 57.24           O  
-ATOM   4446  CB  GLN A 308      33.364  13.267  -4.594  1.00 60.70           C  
-ATOM   4447  CG  GLN A 308      34.180  13.529  -5.885  1.00 67.70           C  
-ATOM   4448  CD  GLN A 308      34.599  14.990  -6.109  1.00 65.45           C  
-ATOM   4449  OE1 GLN A 308      34.642  15.457  -7.244  1.00 68.98           O  
-ATOM   4450  NE2 GLN A 308      34.927  15.719  -5.041  1.00 48.93           N  
-ATOM   4451  H   GLN A 308      31.925  13.218  -2.514  1.00 63.71           H  
-ATOM   4452  HA  GLN A 308      32.271  15.127  -4.596  1.00 61.81           H  
-ATOM   4453  HB3 GLN A 308      33.147  12.202  -4.517  1.00 60.70           H  
-ATOM   4454  HB2 GLN A 308      34.004  13.487  -3.739  1.00 60.70           H  
-ATOM   4455  HG3 GLN A 308      33.624  13.184  -6.757  1.00 67.70           H  
-ATOM   4456  HG2 GLN A 308      35.088  12.926  -5.861  1.00 67.70           H  
-ATOM   4457 HE22 GLN A 308      35.213  16.680  -5.157  1.00 48.93           H  
-ATOM   4458 HE21 GLN A 308      34.895  15.318  -4.116  1.00 48.93           H  
-ATOM   4459  N   LEU A 309      29.978  12.897  -5.196  1.00 62.91           N  
-ATOM   4460  CA  LEU A 309      28.865  12.601  -6.107  1.00 69.02           C  
-ATOM   4461  C   LEU A 309      27.877  13.769  -6.252  1.00 71.48           C  
-ATOM   4462  O   LEU A 309      27.288  13.897  -7.324  1.00 78.55           O  
-ATOM   4463  CB  LEU A 309      28.081  11.346  -5.665  1.00 69.53           C  
-ATOM   4464  CG  LEU A 309      28.889  10.039  -5.643  1.00 65.92           C  
-ATOM   4465  CD1 LEU A 309      28.026   8.885  -5.114  1.00 68.42           C  
-ATOM   4466  CD2 LEU A 309      29.501   9.705  -7.010  1.00 64.29           C  
-ATOM   4467  H   LEU A 309      29.904  12.534  -4.257  1.00 62.91           H  
-ATOM   4468  HA  LEU A 309      29.275  12.416  -7.101  1.00 69.02           H  
-ATOM   4469  HB3 LEU A 309      27.234  11.205  -6.338  1.00 69.53           H  
-ATOM   4470  HB2 LEU A 309      27.641  11.511  -4.683  1.00 69.53           H  
-ATOM   4471  HG  LEU A 309      29.714  10.158  -4.953  1.00 65.92           H  
-ATOM   4472 HD11 LEU A 309      28.370   7.919  -5.477  1.00 68.42           H  
-ATOM   4473 HD12 LEU A 309      28.054   8.854  -4.026  1.00 68.42           H  
-ATOM   4474 HD13 LEU A 309      26.984   8.994  -5.411  1.00 68.42           H  
-ATOM   4475 HD21 LEU A 309      29.790   8.658  -7.079  1.00 64.29           H  
-ATOM   4476 HD22 LEU A 309      28.811   9.914  -7.825  1.00 64.29           H  
-ATOM   4477 HD23 LEU A 309      30.400  10.296  -7.176  1.00 64.29           H  
-ATOM   4478  N   LYS A 310      27.695  14.576  -5.190  1.00 71.69           N  
-ATOM   4479  CA  LYS A 310      26.753  15.702  -5.154  1.00 79.72           C  
-ATOM   4480  C   LYS A 310      27.139  16.847  -6.106  1.00 85.46           C  
-ATOM   4481  O   LYS A 310      28.287  16.928  -6.544  1.00 77.47           O  
-ATOM   4482  CB  LYS A 310      26.595  16.206  -3.699  1.00 71.00           C  
-ATOM   4483  CG  LYS A 310      25.854  15.221  -2.780  1.00 85.59           C  
-ATOM   4484  CD  LYS A 310      24.341  15.127  -3.070  1.00 97.79           C  
-ATOM   4485  CE  LYS A 310      23.737  13.740  -2.796  1.00107.28           C  
-ATOM   4486  NZ  LYS A 310      23.828  13.350  -1.378  1.00115.83           N1+
-ATOM   4487  H   LYS A 310      28.240  14.424  -4.354  1.00 71.69           H  
-ATOM   4488  HA  LYS A 310      25.797  15.316  -5.507  1.00 79.72           H  
-ATOM   4489  HB3 LYS A 310      26.053  17.152  -3.679  1.00 71.00           H  
-ATOM   4490  HB2 LYS A 310      27.577  16.428  -3.281  1.00 71.00           H  
-ATOM   4491  HG3 LYS A 310      26.004  15.519  -1.743  1.00 85.59           H  
-ATOM   4492  HG2 LYS A 310      26.316  14.237  -2.871  1.00 85.59           H  
-ATOM   4493  HD3 LYS A 310      24.121  15.403  -4.099  1.00 97.79           H  
-ATOM   4494  HD2 LYS A 310      23.821  15.872  -2.465  1.00 97.79           H  
-ATOM   4495  HE3 LYS A 310      24.235  12.995  -3.415  1.00107.28           H  
-ATOM   4496  HE2 LYS A 310      22.685  13.733  -3.084  1.00107.28           H  
-ATOM   4497  HZ1 LYS A 310      23.405  12.442  -1.244  1.00115.83           H  
-ATOM   4498  HZ2 LYS A 310      24.798  13.313  -1.100  1.00115.83           H  
-ATOM   4499  HZ3 LYS A 310      23.342  14.027  -0.808  1.00115.83           H  
-ATOM   4500  N   NMA A 310A     26.157  17.710  -6.409  1.00  0.00           N  
-ATOM   4501  CA  NMA A 310A     26.328  18.840  -7.311  1.00  0.00           C  
-ATOM   4502  H   NMA A 310A     25.241  17.580  -6.006  1.00  0.00           H  
-ATOM   4503 1HA  NMA A 310A     27.227  18.769  -7.925  1.00  0.00           H  
-ATOM   4504 2HA  NMA A 310A     25.473  18.902  -7.983  1.00  0.00           H  
-ATOM   4505 3HA  NMA A 310A     26.377  19.768  -6.742  1.00  0.00           H  
-TER    4506      NMA A 310A
-HETATM 4507  O   HOH S   2      10.079  12.368  -7.294  1.00 78.69           O  
-HETATM 4508  H1  HOH S   2       9.198  12.069  -6.920  1.00 78.69           H  
-HETATM 4509  H2  HOH S   2      10.812  12.108  -6.666  1.00 78.69           H  
-CONECT    1    4    5    6
-CONECT    4    1
-CONECT    5    1
-CONECT    6    1
-CONECT  714  717  718  719
-CONECT  717  714
-CONECT  718  714
-CONECT  719  714
-CONECT 2573 2576 2577 2578
-CONECT 2576 2573
-CONECT 2577 2573
-CONECT 2578 2573
-CONECT 2782 2785 2786 2787
-CONECT 2785 2782
-CONECT 2786 2782
-CONECT 2787 2782
-CONECT 4507 4508 4509
-CONECT 4508 4507
-CONECT 4509 4507
-END   
diff --git a/examples/protein-ligand-repex/cli/README.md b/examples/protein-ligand-repex/cli/README.md
new file mode 100644
index 000000000..467971b61
--- /dev/null
+++ b/examples/protein-ligand-repex/cli/README.md
@@ -0,0 +1,24 @@
+# Run tyk2 protein-ligand example
+The files in this directory are the input files needed to run a single transformation (edge) for an
+alchemical relative binding free energy simulation using the perses command line interface (CLI).
+
+It runs an alchemical relative binding free energy calculation using replica exchange with `5 ns/replica`.
+
+To run the example:
+```bash
+perses-cli --yaml protein-ligand.yaml
+```
+
+Please run `perses-cli --help` for more details and options to run the simulation.
+
+The file `protein-ligand.yaml` has information on the different parameters to set up a replica exchange (repex)
+simulation.
+
+## Scripts
+The directory `scripts_utils` has different shell scripts that can help automating typical runs of a complete
+alchemical network of transformations. These are only meant for illustrative purposes, adapt to your needs.
+
+* `run_star_map.sh`: Example script to run a star map network in serial.
+* `submit-star-map-serial.sh`: Example script to submit an LSF scheduler job of a star map network in an HPC environment.
+* `submit-dense-map.sh`: Example script to submit an LSF scheduler job of a dense map (all-to-all) network in an HPC environment.
+* `cleanup.sh`: Example script to clean up results from a simulation, useful for restarting simulations from scratch.
\ No newline at end of file
diff --git a/examples/new-cli/template.yaml b/examples/protein-ligand-repex/cli/protein-ligand.yaml
similarity index 79%
rename from examples/new-cli/template.yaml
rename to examples/protein-ligand-repex/cli/protein-ligand.yaml
index 71f9c2641..b053662e6 100644
--- a/examples/new-cli/template.yaml
+++ b/examples/protein-ligand-repex/cli/protein-ligand.yaml
@@ -1,12 +1,12 @@
 # Path to protein file
-protein_pdb: ripk2_receptor.pdb
+protein_pdb: tyk2_protein.pdb
 
 # Path to ligand SDF file
-ligand_file: ligands.sdf
+ligand_file: tyk2_ligands.sdf
 
 # Indices of old and new ligands within SDF file
 old_ligand_index: 0
-new_ligand_index: 1
+new_ligand_index: 3
 
 #
 # Force fields
@@ -23,8 +23,11 @@ forcefield_files:
 
 # Small molecule force field
 # Options include anything allowed by the openmmforcefields SystemGenerator
-# e.g. one of ['openff-2.0.0', 'gaff-2.11']
-small_molecule_forcefield: openff-2.0.0
+# Examples for this parameter are 'openff-2.1.0', 'gaff-2.11' or 'espaloma-0.3.1'
+small_molecule_forcefield: openff-2.1.0
+
+# Solvent model
+solvent_model: "tip3p"
 
 #
 # Simulation conditions
@@ -32,7 +35,7 @@ small_molecule_forcefield: openff-2.0.0
 
 # Simulation setup options
 solvent_padding: 9.0 # angstroms
-pressure: 1 # atmsopheres
+pressure: 1 # atmospheres
 temperature: 300 # kelvin
 timestep: 4 # femtoseconds
 ionic_strength: 0.15 # molar
@@ -46,12 +49,13 @@ bond_expession:
 # Multi-state sampling scheme
 # One of ['repex', 'nonequilibrium', 'sams']
 fe_type: repex
-checkpoint_interval: 50 # number of iterations
+checkpoint_interval: 100 # number of iterations
+#offline-freq: 100  # Real time FE estimate analysis -- multiple of checkpoint interval (optional)
 
 # Number of iterations to run
 n_cycles: 5000
 
-# Number of integration stpes per iteration
+# Number of integration steps per iteration
 n_steps_per_move_application: 250
 
 # Number of alchemical intermediate states to use
@@ -61,7 +65,7 @@ n_states: 12
 n_equilibration_iterations: 0
 
 # Location for storing trajectories
-trajectory_directory: lig0to1
+trajectory_directory: lig0to3
 
 # Prefix for trajectory files (project-specific name)
 trajectory_prefix: out
@@ -78,6 +82,3 @@ phases:
 # Use geometry-derived mapping
 use_given_geometries: true
 given_geometries_tolerance: 0.4 # angstroms
-
-# Solvent model
-solvent_model: "tip3p"
diff --git a/examples/new-cli/cleanup.sh b/examples/protein-ligand-repex/cli/scripts_utils/cleanup.sh
similarity index 100%
rename from examples/new-cli/cleanup.sh
rename to examples/protein-ligand-repex/cli/scripts_utils/cleanup.sh
diff --git a/examples/new-cli/run_star_map.sh b/examples/protein-ligand-repex/cli/scripts_utils/run_star_map.sh
similarity index 100%
rename from examples/new-cli/run_star_map.sh
rename to examples/protein-ligand-repex/cli/scripts_utils/run_star_map.sh
diff --git a/examples/new-cli/submit-dense-map.sh b/examples/protein-ligand-repex/cli/scripts_utils/submit-dense-map.sh
similarity index 94%
rename from examples/new-cli/submit-dense-map.sh
rename to examples/protein-ligand-repex/cli/scripts_utils/submit-dense-map.sh
index 7a4450fda..0a22579e5 100644
--- a/examples/new-cli/submit-dense-map.sh
+++ b/examples/protein-ligand-repex/cli/scripts_utils/submit-dense-map.sh
@@ -1,6 +1,6 @@
 #!/bin/bash
-#BSUB -P "perses-ripk2"
-#BSUB -J "perses-ripk2-1ns-[1-182]"
+#BSUB -P "perses-tyk2"
+#BSUB -J "perses-tyk2-5ns-[1-100]"
 #BSUB -n 1
 #BSUB -R rusage[mem=8]
 #BSUB -R span[hosts=1]
diff --git a/examples/new-cli/submit-star-map.sh b/examples/protein-ligand-repex/cli/scripts_utils/submit-star-map-serial.sh
similarity index 93%
rename from examples/new-cli/submit-star-map.sh
rename to examples/protein-ligand-repex/cli/scripts_utils/submit-star-map-serial.sh
index 1c72d6d10..f3d77aedc 100644
--- a/examples/new-cli/submit-star-map.sh
+++ b/examples/protein-ligand-repex/cli/scripts_utils/submit-star-map-serial.sh
@@ -1,6 +1,6 @@
 #!/bin/bash
-#BSUB -P "perses-ripk2"
-#BSUB -J "perses-benchmark-rip2-5ns-[1-14]"
+#BSUB -P "perses-tyk2"
+#BSUB -J "perses-benchmark-tyk2-5ns-[1-14]"
 #BSUB -n 1
 #BSUB -R rusage[mem=8]
 #BSUB -R span[hosts=1]
diff --git a/examples/protein-ligand-repex/cli/tyk2_ligands.sdf b/examples/protein-ligand-repex/cli/tyk2_ligands.sdf
new file mode 100644
index 000000000..5b3d5f2fe
--- /dev/null
+++ b/examples/protein-ligand-repex/cli/tyk2_ligands.sdf
@@ -0,0 +1,2689 @@
+lig_ejm_54
+                    3D
+ Schrodinger Suite 2022-3.
+ 37 38  0  0  1  0            999 V2000
+   -4.7602   -2.7967  -16.4775 H   0  0  0  0  0  0
+   -5.3578   -3.6575  -16.2147 C   0  0  0  0  0  0
+   -6.7173   -3.5185  -15.8797 C   0  0  0  0  0  0
+   -7.4848   -4.6454  -15.5162 C   0  0  0  0  0  0
+   -6.8879   -5.9328  -15.4883 C   0  0  0  0  0  0
+   -5.5234   -6.0640  -15.8525 C   0  0  0  0  0  0
+   -4.7659   -4.9308  -16.2070 C   0  0  0  0  0  0
+   -3.7225   -5.0393  -16.4690 H   0  0  0  0  0  0
+   -4.7348   -7.5990  -15.8694 Cl  0  0  0  0  0  0
+   -7.6913   -7.1293  -15.0548 C   0  0  0  0  0  0
+   -8.1104   -7.2012  -13.9013 O   0  0  0  0  0  0
+   -7.8794   -8.0487  -16.0173 N   0  0  0  0  0  0
+   -7.3978   -7.8691  -16.8840 H   0  0  0  0  0  0
+   -8.7120   -9.1989  -16.0189 C   0  0  0  0  0  0
+   -9.5627   -9.5847  -14.9619 C   0  0  0  0  0  0
+  -10.3712  -10.7186  -15.1360 C   0  0  0  0  0  0
+  -10.3584  -11.4774  -16.2525 N   0  0  0  0  0  0
+   -9.5337  -11.1357  -17.2710 C   0  0  0  0  0  0
+   -8.7164   -9.9833  -17.1862 C   0  0  0  0  0  0
+   -8.0973   -9.6795  -18.0140 H   0  0  0  0  0  0
+   -9.5727  -11.9161  -18.4574 N   0  0  0  0  0  0
+  -10.4238  -12.4536  -18.5581 H   0  0  0  0  0  0
+   -8.6553  -12.0654  -19.4295 C   0  0  0  0  0  0
+   -7.5631  -11.4966  -19.4761 O   0  0  0  0  0  0
+   -9.0712  -12.9354  -20.3605 N   0  0  0  0  0  0
+   -9.9907  -13.3459  -20.2634 H   0  0  0  0  0  0
+   -8.2828  -13.3939  -21.4965 C   0  0  0  0  0  0
+   -7.2137  -13.3284  -21.2864 H   0  0  0  0  0  0
+   -8.5112  -14.4496  -21.6490 H   0  0  0  0  0  0
+   -8.6211  -12.6043  -22.7645 C   0  0  0  0  0  0
+   -8.0472  -12.9750  -23.6115 H   0  0  0  0  0  0
+   -9.6763  -12.6979  -23.0198 H   0  0  0  0  0  0
+   -8.3867  -11.5457  -22.6485 H   0  0  0  0  0  0
+  -11.0527  -11.0293  -14.3556 H   0  0  0  0  0  0
+   -9.6403   -9.0308  -14.0397 H   0  0  0  0  0  0
+   -9.1623   -4.4118  -15.1498 Cl  0  0  0  0  0  0
+   -7.1791   -2.5435  -15.9095 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 37  1  0  0  0
+  4  5  2  0  0  0
+  4 36  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 35  1  0  0  0
+ 16 17  2  0  0  0
+ 16 34  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 26  1  0  0  0
+ 25 27  1  0  0  0
+ 27 28  1  0  0  0
+ 27 29  1  0  0  0
+ 27 30  1  0  0  0
+ 30 31  1  0  0  0
+ 30 32  1  0  0  0
+ 30 33  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+11
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW05IXVtDSDJdW0NIM10=
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0025
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0025
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+32.0222
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_ejm_54-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+11
+
+> <i_i_glide_rotatable_bonds>
+7
+
+> <r_i_docking_score>
+-9.7861918078574
+
+> <r_i_glide_ligand_efficiency>
+-0.425486600341626
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.21002729181617
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.36638991542119
+
+> <r_i_glide_gscore>
+-9.7861918078574
+
+> <r_i_glide_lipo>
+-3.51550880171102
+
+> <r_i_glide_hbond>
+-0.567459858271365
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.41531558627739
+
+> <r_i_glide_evdw>
+-50.5618667602539
+
+> <r_i_glide_ecoul>
+-9.35098934173584
+
+> <r_i_glide_erotb>
+0.642834177675453
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-92.9900782626753
+
+> <r_i_glide_energy>
+-59.9128561019897
+
+> <r_i_glide_einternal>
+0.882002353668213
+
+> <i_i_glide_confnum>
+3
+
+> <i_i_glide_posenum>
+2
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.0711874194366535
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_jmc_23
+                    3D
+ Schrodinger Suite 2022-3.
+ 36 38  0  0  1  0            999 V2000
+   -4.7647   -2.8362  -16.5065 H   0  0  0  0  0  0
+   -5.3561   -3.6960  -16.2319 C   0  0  0  0  0  0
+   -4.7711   -4.9730  -16.2125 C   0  0  0  0  0  0
+   -5.5375   -6.0962  -15.8494 C   0  0  0  0  0  0
+   -6.9012   -5.9479  -15.4810 C   0  0  0  0  0  0
+   -7.4878   -4.6562  -15.5249 C   0  0  0  0  0  0
+   -6.7132   -3.5420  -15.9001 C   0  0  0  0  0  0
+   -7.1635   -2.5619  -15.9332 H   0  0  0  0  0  0
+   -9.1604   -4.3992  -15.1603 Cl  0  0  0  0  0  0
+   -7.7159   -7.1312  -15.0394 C   0  0  0  0  0  0
+   -8.1374   -7.2005  -13.8846 O   0  0  0  0  0  0
+   -7.9145   -8.0499  -15.9997 N   0  0  0  0  0  0
+   -7.4427   -7.8694  -16.8718 H   0  0  0  0  0  0
+   -8.7390   -9.2024  -16.0025 C   0  0  0  0  0  0
+   -9.5905   -9.5941  -14.9492 C   0  0  0  0  0  0
+  -10.3879  -10.7346  -15.1369 C   0  0  0  0  0  0
+  -10.3608  -11.4916  -16.2564 N   0  0  0  0  0  0
+   -9.5379  -11.1376  -17.2716 C   0  0  0  0  0  0
+   -8.7264   -9.9818  -17.1725 C   0  0  0  0  0  0
+   -8.1029   -9.6612  -17.9895 H   0  0  0  0  0  0
+   -9.5493  -11.9279  -18.4566 N   0  0  0  0  0  0
+  -10.3525  -12.5343  -18.5439 H   0  0  0  0  0  0
+   -8.6429  -12.0244  -19.4542 C   0  0  0  0  0  0
+   -7.6011  -11.3701  -19.5211 O   0  0  0  0  0  0
+   -9.0334  -13.0123  -20.5118 C   0  0  2  0  0  0
+   -7.9809  -13.8692  -21.2029 C   0  0  1  0  0  0
+   -8.6094  -12.7177  -21.9399 C   0  0  0  0  0  0
+   -7.9799  -11.8490  -22.1337 H   0  0  0  0  0  0
+   -9.3461  -12.9340  -22.7094 H   0  0  0  0  0  0
+   -8.2101  -14.8972  -21.4757 H   0  0  0  0  0  0
+   -6.6479  -13.7206  -20.8637 F   0  0  0  0  0  0
+  -10.0043  -13.4899  -20.3830 H   0  0  0  0  0  0
+  -11.0664  -11.0506  -14.3576 H   0  0  0  0  0  0
+   -9.6712   -9.0422  -14.0252 H   0  0  0  0  0  0
+   -4.7586   -7.6357  -15.8606 Cl  0  0  0  0  0  0
+   -3.7298   -5.0927  -16.4759 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 36  1  0  0  0
+  4  5  2  0  0  0
+  4 35  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 34  1  0  0  0
+ 16 17  2  0  0  0
+ 16 33  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 27  1  0  0  0
+ 25 26  1  0  0  0
+ 25 32  1  0  0  0
+ 26 27  1  0  0  0
+ 26 30  1  0  0  0
+ 26 31  1  0  0  0
+ 27 28  1  0  0  0
+ 27 29  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+13
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NAQEhdM1tDQEhdKEYpW0NIMl0z
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0036
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0036
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+48.6923
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_jmc_23-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+13
+
+> <i_i_glide_rotatable_bonds>
+6
+
+> <r_i_docking_score>
+-9.76366106132043
+
+> <r_i_glide_ligand_efficiency>
+-0.406819210888351
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.17346966294993
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.33689211718637
+
+> <r_i_glide_gscore>
+-9.76366106132043
+
+> <r_i_glide_lipo>
+-3.62125074819138
+
+> <r_i_glide_hbond>
+-0.588760251427907
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.15561480592231
+
+> <r_i_glide_evdw>
+-51.2152786254883
+
+> <r_i_glide_ecoul>
+-9.34652042388916
+
+> <r_i_glide_erotb>
+0.596929406347641
+
+> <r_i_glide_esite>
+-0.0322226672686807
+
+> <r_i_glide_emodel>
+-105.029289719937
+
+> <r_i_glide_energy>
+-60.5617990493774
+
+> <r_i_glide_einternal>
+-1.86973139193469e-07
+
+> <i_i_glide_confnum>
+1
+
+> <i_i_glide_posenum>
+1
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.0573298672660373
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_ejm_47
+                    3D
+ Schrodinger Suite 2022-3.
+ 39 41  0  0  1  0            999 V2000
+   -4.7643   -2.7834  -16.4587 H   0  0  0  0  0  0
+   -5.3552   -3.6498  -16.1974 C   0  0  0  0  0  0
+   -6.7124   -3.5027  -15.8663 C   0  0  0  0  0  0
+   -7.4893   -4.6185  -15.5050 C   0  0  0  0  0  0
+   -6.9074   -5.9119  -15.4790 C   0  0  0  0  0  0
+   -5.5421   -6.0562  -15.8413 C   0  0  0  0  0  0
+   -4.7732   -4.9286  -16.1887 C   0  0  0  0  0  0
+   -3.7316   -5.0407  -16.4512 H   0  0  0  0  0  0
+   -4.7624   -7.5959  -15.8531 Cl  0  0  0  0  0  0
+   -7.7248   -7.0987  -15.0524 C   0  0  0  0  0  0
+   -8.1332   -7.1859  -13.8948 O   0  0  0  0  0  0
+   -7.9361   -7.9984  -16.0292 N   0  0  0  0  0  0
+   -7.4760   -7.7960  -16.9040 H   0  0  0  0  0  0
+   -8.7528   -9.1577  -16.0420 C   0  0  0  0  0  0
+   -9.5813   -9.5734  -14.9790 C   0  0  0  0  0  0
+  -10.3744  -10.7163  -15.1640 C   0  0  0  0  0  0
+  -10.3618  -11.4596  -16.2922 N   0  0  0  0  0  0
+   -9.5555  -11.0907  -17.3151 C   0  0  0  0  0  0
+   -8.7581   -9.9220  -17.2226 C   0  0  0  0  0  0
+   -8.1469   -9.5902  -18.0480 H   0  0  0  0  0  0
+   -9.5627  -11.8828  -18.4971 N   0  0  0  0  0  0
+  -10.3897  -12.4543  -18.6082 H   0  0  0  0  0  0
+   -8.6209  -12.0124  -19.4529 C   0  0  0  0  0  0
+   -7.5620  -11.3849  -19.4767 O   0  0  0  0  0  0
+   -8.9140  -13.0316  -20.5664 C   0  0  0  0  0  0
+   -8.6629  -12.5253  -22.0018 C   0  0  0  0  0  0
+   -8.0064  -13.8706  -22.3183 C   0  0  0  0  0  0
+   -7.7574  -14.0240  -20.8178 C   0  0  0  0  0  0
+   -7.9255  -15.0360  -20.4505 H   0  0  0  0  0  0
+   -6.7726  -13.6596  -20.5171 H   0  0  0  0  0  0
+   -7.1077  -13.8151  -22.9328 H   0  0  0  0  0  0
+   -8.7188  -14.6002  -22.7084 H   0  0  0  0  0  0
+   -7.9629  -11.6891  -22.0777 H   0  0  0  0  0  0
+   -9.5629  -12.3317  -22.5815 H   0  0  0  0  0  0
+   -9.8772  -13.5353  -20.4673 H   0  0  0  0  0  0
+  -11.0374  -11.0543  -14.3794 H   0  0  0  0  0  0
+   -9.6520   -9.0342  -14.0480 H   0  0  0  0  0  0
+   -9.1624   -4.3637  -15.1457 Cl  0  0  0  0  0  0
+   -7.1620   -2.5228  -15.8783 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 39  1  0  0  0
+  4  5  2  0  0  0
+  4 38  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 37  1  0  0  0
+ 16 17  2  0  0  0
+ 16 36  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 28  1  0  0  0
+ 25 26  1  0  0  0
+ 25 35  1  0  0  0
+ 26 27  1  0  0  0
+ 26 33  1  0  0  0
+ 26 34  1  0  0  0
+ 27 28  1  0  0  0
+ 27 31  1  0  0  0
+ 27 32  1  0  0  0
+ 28 29  1  0  0  0
+ 28 30  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+7
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NIXTNbQ0gyXVtDSDJdW0NIMl0z
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0034
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0034
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+54.7751
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_ejm_47-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+7
+
+> <i_i_glide_rotatable_bonds>
+6
+
+> <r_i_docking_score>
+-9.73003171355248
+
+> <r_i_glide_ligand_efficiency>
+-0.405417988064687
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.16942783692354
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.32884307111528
+
+> <r_i_glide_gscore>
+-9.73003171355248
+
+> <r_i_glide_lipo>
+-3.5673030001191
+
+> <r_i_glide_hbond>
+-0.611341721934706
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.33668585854289
+
+> <r_i_glide_evdw>
+-51.3234825134277
+
+> <r_i_glide_ecoul>
+-8.38070201873779
+
+> <r_i_glide_erotb>
+0.608578295526275
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-91.5347084160839
+
+> <r_i_glide_energy>
+-59.7041845321655
+
+> <r_i_glide_einternal>
+0.0364845618605614
+
+> <i_i_glide_confnum>
+7
+
+> <i_i_glide_posenum>
+4
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.088345766098573
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_jmc_27
+                    3D
+ Schrodinger Suite 2022-3.
+ 36 38  0  0  1  0            999 V2000
+   -4.7756   -2.7877  -16.4844 H   0  0  0  0  0  0
+   -5.3587   -3.6550  -16.2176 C   0  0  0  0  0  0
+   -4.7652   -4.9283  -16.2021 C   0  0  0  0  0  0
+   -5.5260   -6.0594  -15.8435 C   0  0  0  0  0  0
+   -6.8922   -5.9214  -15.4825 C   0  0  0  0  0  0
+   -7.4850   -4.6345  -15.5167 C   0  0  0  0  0  0
+   -6.7156   -3.5162  -15.8818 C   0  0  0  0  0  0
+   -7.1742   -2.5394  -15.9086 H   0  0  0  0  0  0
+   -9.1595   -4.3895  -15.1543 Cl  0  0  0  0  0  0
+   -7.7022   -7.1116  -15.0517 C   0  0  0  0  0  0
+   -8.1073   -7.1971  -13.8946 O   0  0  0  0  0  0
+   -7.9076   -8.0155  -16.0261 N   0  0  0  0  0  0
+   -7.4451   -7.8166  -16.8998 H   0  0  0  0  0  0
+   -8.7271   -9.1743  -16.0305 C   0  0  0  0  0  0
+   -9.5652   -9.5760  -14.9683 C   0  0  0  0  0  0
+  -10.3625  -10.7185  -15.1467 C   0  0  0  0  0  0
+  -10.3445  -11.4710  -16.2676 N   0  0  0  0  0  0
+   -9.5311  -11.1137  -17.2873 C   0  0  0  0  0  0
+   -8.7251   -9.9523  -17.2029 C   0  0  0  0  0  0
+   -8.1099   -9.6327  -18.0293 H   0  0  0  0  0  0
+   -9.5482  -11.9136  -18.4626 N   0  0  0  0  0  0
+  -10.3636  -12.5035  -18.5497 H   0  0  0  0  0  0
+   -8.6240  -12.0419  -19.4379 C   0  0  0  0  0  0
+   -7.5640  -11.4156  -19.4881 O   0  0  0  0  0  0
+   -9.0244  -13.0321  -20.4844 C   0  0  2  0  0  0
+   -7.9862  -13.8559  -21.2365 C   0  0  1  0  0  0
+   -8.6884  -12.7163  -21.9259 C   0  0  0  0  0  0
+   -8.1131  -11.8158  -22.1324 H   0  0  0  0  0  0
+   -9.4510  -12.9532  -22.6649 H   0  0  0  0  0  0
+   -8.2699  -14.8683  -21.5157 H   0  0  0  0  0  0
+   -6.2504  -13.7351  -21.0529 Cl  0  0  0  0  0  0
+   -9.9847  -13.5193  -20.3249 H   0  0  0  0  0  0
+  -11.0261  -11.0465  -14.3612 H   0  0  0  0  0  0
+   -9.6410   -9.0305  -14.0395 H   0  0  0  0  0  0
+   -4.7416   -7.5955  -15.8535 Cl  0  0  0  0  0  0
+   -3.7210   -5.0375  -16.4601 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 36  1  0  0  0
+  4  5  2  0  0  0
+  4 35  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 34  1  0  0  0
+ 16 17  2  0  0  0
+ 16 33  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 27  1  0  0  0
+ 25 26  1  0  0  0
+ 25 32  1  0  0  0
+ 26 27  1  0  0  0
+ 26 30  1  0  0  0
+ 26 31  1  0  0  0
+ 27 28  1  0  0  0
+ 27 29  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+14
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NAQEhdM1tDQEhdKENsKVtDSDJdMw==
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0036
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0036
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+45.7895
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_jmc_27-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+14
+
+> <i_i_glide_rotatable_bonds>
+6
+
+> <r_i_docking_score>
+-9.71015652983447
+
+> <r_i_glide_ligand_efficiency>
+-0.40458985540977
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.16703908899465
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.32408602763881
+
+> <r_i_glide_gscore>
+-9.71015652983447
+
+> <r_i_glide_lipo>
+-3.56915207781519
+
+> <r_i_glide_hbond>
+-0.556282560709614
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.13575812300125
+
+> <r_i_glide_evdw>
+-52.1847076416016
+
+> <r_i_glide_ecoul>
+-9.278151512146
+
+> <r_i_glide_erotb>
+0.551994340593567
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-91.716399874819
+
+> <r_i_glide_energy>
+-61.4628591537476
+
+> <r_i_glide_einternal>
+8.68225413341861e-07
+
+> <i_i_glide_confnum>
+1
+
+> <i_i_glide_posenum>
+1
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.072425085815604
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_ejm_46
+                    3D
+ Schrodinger Suite 2022-3.
+ 36 38  0  0  1  0            999 V2000
+   -4.7641   -2.8360  -16.5091 H   0  0  0  0  0  0
+   -5.3551   -3.6988  -16.2343 C   0  0  0  0  0  0
+   -4.7691   -4.9763  -16.2133 C   0  0  0  0  0  0
+   -5.5322   -6.1012  -15.8489 C   0  0  0  0  0  0
+   -6.8971   -5.9556  -15.4808 C   0  0  0  0  0  0
+   -7.4860   -4.6658  -15.5235 C   0  0  0  0  0  0
+   -6.7149   -3.5494  -15.9013 C   0  0  0  0  0  0
+   -7.1642   -2.5677  -15.9366 H   0  0  0  0  0  0
+   -9.1609   -4.4168  -15.1573 Cl  0  0  0  0  0  0
+   -7.7099   -7.1391  -15.0412 C   0  0  0  0  0  0
+   -8.1270   -7.2082  -13.8848 O   0  0  0  0  0  0
+   -7.9085   -8.0557  -16.0048 N   0  0  0  0  0  0
+   -7.4364   -7.8700  -16.8774 H   0  0  0  0  0  0
+   -8.7302   -9.2129  -16.0071 C   0  0  0  0  0  0
+   -9.5845   -9.6010  -14.9550 C   0  0  0  0  0  0
+  -10.3859  -10.7400  -15.1393 C   0  0  0  0  0  0
+  -10.3615  -11.5002  -16.2562 N   0  0  0  0  0  0
+   -9.5413  -11.1483  -17.2750 C   0  0  0  0  0  0
+   -8.7209   -9.9970  -17.1753 C   0  0  0  0  0  0
+   -8.0953   -9.6795  -17.9932 H   0  0  0  0  0  0
+   -9.5567  -11.9338  -18.4642 N   0  0  0  0  0  0
+  -10.3627  -12.5404  -18.5590 H   0  0  0  0  0  0
+   -8.6358  -12.0325  -19.4477 C   0  0  0  0  0  0
+   -7.5743  -11.4049  -19.4949 O   0  0  0  0  0  0
+   -9.0140  -13.0112  -20.5101 C   0  0  0  0  0  0
+   -8.6036  -12.7155  -21.9369 C   0  0  0  0  0  0
+   -7.9023  -13.8059  -21.1663 C   0  0  0  0  0  0
+   -8.1243  -14.8374  -21.4290 H   0  0  0  0  0  0
+   -6.8721  -13.6163  -20.8685 H   0  0  0  0  0  0
+   -8.0346  -11.8121  -22.1455 H   0  0  0  0  0  0
+   -9.3177  -12.9952  -22.7091 H   0  0  0  0  0  0
+   -9.9630  -13.5266  -20.3808 H   0  0  0  0  0  0
+  -11.0715  -11.0494  -14.3644 H   0  0  0  0  0  0
+   -9.6709   -9.0420  -14.0358 H   0  0  0  0  0  0
+   -4.7565   -7.6418  -15.8644 Cl  0  0  0  0  0  0
+   -3.7260   -5.0905  -16.4764 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 36  1  0  0  0
+  4  5  2  0  0  0
+  4 35  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 34  1  0  0  0
+ 16 17  2  0  0  0
+ 16 33  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 27  1  0  0  0
+ 25 26  1  0  0  0
+ 25 32  1  0  0  0
+ 26 27  1  0  0  0
+ 26 30  1  0  0  0
+ 26 31  1  0  0  0
+ 27 28  1  0  0  0
+ 27 29  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+6
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NIXTNbQ0gyXVtDSDJdMw==
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0034
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0034
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+49.5212
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_ejm_46-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+6
+
+> <i_i_glide_rotatable_bonds>
+6
+
+> <r_i_docking_score>
+-9.61568735798166
+
+> <r_i_glide_ligand_efficiency>
+-0.418073363390507
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.1889450320591
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.32516039339236
+
+> <r_i_glide_gscore>
+-9.61568735798166
+
+> <r_i_glide_lipo>
+-3.62915830081149
+
+> <r_i_glide_hbond>
+-0.57340247290156
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.28077531878579
+
+> <r_i_glide_evdw>
+-50.9746627807617
+
+> <r_i_glide_ecoul>
+-8.24195003509521
+
+> <r_i_glide_erotb>
+0.65267437881954
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-102.027343960114
+
+> <r_i_glide_energy>
+-59.2166128158569
+
+> <r_i_glide_einternal>
+6.72696387482574e-07
+
+> <i_i_glide_confnum>
+1
+
+> <i_i_glide_posenum>
+2
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.0499811632888399
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_ejm_31
+                    3D
+ Schrodinger Suite 2022-3.
+ 32 33  0  0  1  0            999 V2000
+   -4.7643   -2.8400  -16.5091 H   0  0  0  0  0  0
+   -5.3542   -3.7038  -16.2347 C   0  0  0  0  0  0
+   -4.7674   -4.9795  -16.2123 C   0  0  0  0  0  0
+   -5.5290   -6.1026  -15.8438 C   0  0  0  0  0  0
+   -6.8923   -5.9587  -15.4780 C   0  0  0  0  0  0
+   -7.4820   -4.6699  -15.5255 C   0  0  0  0  0  0
+   -6.7115   -3.5548  -15.9030 C   0  0  0  0  0  0
+   -7.1638   -2.5769  -15.9396 H   0  0  0  0  0  0
+   -9.1561   -4.4143  -15.1653 Cl  0  0  0  0  0  0
+   -7.7049   -7.1425  -15.0386 C   0  0  0  0  0  0
+   -8.1157   -7.2179  -13.8805 O   0  0  0  0  0  0
+   -7.9064   -8.0562  -16.0049 N   0  0  0  0  0  0
+   -7.4327   -7.8743  -16.8760 H   0  0  0  0  0  0
+   -8.7268   -9.2125  -16.0105 C   0  0  0  0  0  0
+   -9.5827   -9.5982  -14.9587 C   0  0  0  0  0  0
+  -10.3835  -10.7354  -15.1418 C   0  0  0  0  0  0
+  -10.3600  -11.4950  -16.2564 N   0  0  0  0  0  0
+   -9.5337  -11.1511  -17.2721 C   0  0  0  0  0  0
+   -8.7102  -10.0011  -17.1769 C   0  0  0  0  0  0
+   -8.0729   -9.6943  -17.9922 H   0  0  0  0  0  0
+   -9.5619  -11.9452  -18.4509 N   0  0  0  0  0  0
+  -10.3819  -12.5322  -18.5333 H   0  0  0  0  0  0
+   -8.6681  -12.0307  -19.4565 C   0  0  0  0  0  0
+   -7.5932  -11.4361  -19.5018 O   0  0  0  0  0  0
+   -9.0408  -12.9588  -20.6094 C   0  0  0  0  0  0
+   -9.1375  -13.9845  -20.2608 H   0  0  0  0  0  0
+   -8.2771  -12.9370  -21.3872 H   0  0  0  0  0  0
+   -9.9855  -12.6633  -21.0634 H   0  0  0  0  0  0
+  -11.0678  -11.0469  -14.3675 H   0  0  0  0  0  0
+   -9.6650   -9.0396  -14.0398 H   0  0  0  0  0  0
+   -4.7465   -7.6388  -15.8551 Cl  0  0  0  0  0  0
+   -3.7260   -5.0929  -16.4760 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 32  1  0  0  0
+  4  5  2  0  0  0
+  4 31  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 30  1  0  0  0
+ 16 17  2  0  0  0
+ 16 29  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 26  1  0  0  0
+ 25 27  1  0  0  0
+ 25 28  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+1
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NIM10=
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0035
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0035
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+27.8362
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_ejm_31-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+1
+
+> <i_i_glide_rotatable_bonds>
+5
+
+> <r_i_docking_score>
+-9.61553139973376
+
+> <r_i_glide_ligand_efficiency>
+-0.45788244760637
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.26326295335976
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.37742070857348
+
+> <r_i_glide_gscore>
+-9.61553139973376
+
+> <r_i_glide_lipo>
+-3.54764816894495
+
+> <r_i_glide_hbond>
+-0.560967309882515
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.51653923167398
+
+> <r_i_glide_evdw>
+-47.69189453125
+
+> <r_i_glide_ecoul>
+-8.1962194442749
+
+> <r_i_glide_erotb>
+0.623650953971416
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-95.4345671907903
+
+> <r_i_glide_energy>
+-55.8881139755249
+
+> <r_i_glide_einternal>
+8.54014842843753e-07
+
+> <i_i_glide_confnum>
+1
+
+> <i_i_glide_posenum>
+1
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.052420677601671
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_ejm_42
+                    3D
+ Schrodinger Suite 2022-3.
+ 35 36  0  0  1  0            999 V2000
+   -4.7624   -2.8305  -16.5093 H   0  0  0  0  0  0
+   -5.3540   -3.6915  -16.2345 C   0  0  0  0  0  0
+   -4.7691   -4.9689  -16.2177 C   0  0  0  0  0  0
+   -5.5347   -6.0946  -15.8561 C   0  0  0  0  0  0
+   -6.8966   -5.9468  -15.4840 C   0  0  0  0  0  0
+   -7.4850   -4.6563  -15.5235 C   0  0  0  0  0  0
+   -6.7116   -3.5389  -15.9005 C   0  0  0  0  0  0
+   -7.1623   -2.5582  -15.9347 H   0  0  0  0  0  0
+   -9.1599   -4.4089  -15.1537 Cl  0  0  0  0  0  0
+   -7.7049   -7.1318  -15.0417 C   0  0  0  0  0  0
+   -8.1086   -7.2070  -13.8803 O   0  0  0  0  0  0
+   -7.9133   -8.0454  -16.0060 N   0  0  0  0  0  0
+   -7.4444   -7.8574  -16.8798 H   0  0  0  0  0  0
+   -8.7328   -9.2042  -16.0075 C   0  0  0  0  0  0
+   -9.5847   -9.5857  -14.9496 C   0  0  0  0  0  0
+  -10.3834  -10.7273  -15.1242 C   0  0  0  0  0  0
+  -10.3610  -11.4928  -16.2378 N   0  0  0  0  0  0
+   -9.5431  -11.1514  -17.2605 C   0  0  0  0  0  0
+   -8.7262   -9.9969  -17.1722 C   0  0  0  0  0  0
+   -8.1003   -9.6887  -17.9930 H   0  0  0  0  0  0
+   -9.5690  -11.9543  -18.4378 N   0  0  0  0  0  0
+  -10.3994  -12.5262  -18.5271 H   0  0  0  0  0  0
+   -8.6819  -12.0641  -19.4453 C   0  0  0  0  0  0
+   -7.6202  -11.4430  -19.5152 O   0  0  0  0  0  0
+   -9.0509  -13.0413  -20.5692 C   0  0  0  0  0  0
+   -9.4653  -12.4640  -21.3962 H   0  0  0  0  0  0
+   -9.8431  -13.7223  -20.2525 H   0  0  0  0  0  0
+   -7.8469  -13.8628  -21.0583 C   0  0  0  0  0  0
+   -8.1472  -14.5422  -21.8545 H   0  0  0  0  0  0
+   -7.4224  -14.4613  -20.2531 H   0  0  0  0  0  0
+   -7.0585  -13.2227  -21.4540 H   0  0  0  0  0  0
+  -11.0583  -11.0391  -14.3397 H   0  0  0  0  0  0
+   -9.6732   -9.0227  -14.0335 H   0  0  0  0  0  0
+   -4.7606   -7.6372  -15.8755 Cl  0  0  0  0  0  0
+   -3.7273   -5.0868  -16.4812 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 35  1  0  0  0
+  4  5  2  0  0  0
+  4 34  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 33  1  0  0  0
+ 16 17  2  0  0  0
+ 16 32  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 26  1  0  0  0
+ 25 27  1  0  0  0
+ 25 28  1  0  0  0
+ 28 29  1  0  0  0
+ 28 30  1  0  0  0
+ 28 31  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+2
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NIMl1bQ0gzXQ==
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0034
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0034
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+29.4428
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_ejm_42-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+2
+
+> <i_i_glide_rotatable_bonds>
+6
+
+> <r_i_docking_score>
+-9.54163593253454
+
+> <r_i_glide_ligand_efficiency>
+-0.433710724206116
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.21527450610041
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.33232386153848
+
+> <r_i_glide_gscore>
+-9.54163593253454
+
+> <r_i_glide_lipo>
+-3.51010401182842
+
+> <r_i_glide_hbond>
+-0.568287738782123
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.48187138181937
+
+> <r_i_glide_evdw>
+-48.9517860412598
+
+> <r_i_glide_ecoul>
+-8.18775081634521
+
+> <r_i_glide_erotb>
+0.69437912441015
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-88.1988315651031
+
+> <r_i_glide_energy>
+-57.139536857605
+
+> <r_i_glide_einternal>
+0.130575686693192
+
+> <i_i_glide_confnum>
+2
+
+> <i_i_glide_posenum>
+4
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.0577662887487658
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_ejm_50
+                    3D
+ Schrodinger Suite 2022-3.
+ 33 34  0  0  1  0            999 V2000
+   -4.7566   -2.8250  -16.5089 H   0  0  0  0  0  0
+   -5.3502   -3.6877  -16.2344 C   0  0  0  0  0  0
+   -4.7646   -4.9663  -16.2140 C   0  0  0  0  0  0
+   -5.5301   -6.0920  -15.8502 C   0  0  0  0  0  0
+   -6.8933   -5.9430  -15.4829 C   0  0  0  0  0  0
+   -7.4837   -4.6542  -15.5274 C   0  0  0  0  0  0
+   -6.7098   -3.5379  -15.9038 C   0  0  0  0  0  0
+   -7.1624   -2.5591  -15.9461 H   0  0  0  0  0  0
+   -9.1610   -4.4127  -15.1682 Cl  0  0  0  0  0  0
+   -7.7071   -7.1255  -15.0416 C   0  0  0  0  0  0
+   -8.1268   -7.1889  -13.8858 O   0  0  0  0  0  0
+   -7.8978   -8.0465  -16.0039 N   0  0  0  0  0  0
+   -7.4263   -7.8549  -16.8759 H   0  0  0  0  0  0
+   -8.7165   -9.2065  -16.0059 C   0  0  0  0  0  0
+   -9.5744   -9.5863  -14.9526 C   0  0  0  0  0  0
+  -10.3796  -10.7215  -15.1333 C   0  0  0  0  0  0
+  -10.3620  -11.4824  -16.2494 N   0  0  0  0  0  0
+   -9.5317  -11.1460  -17.2633 C   0  0  0  0  0  0
+   -8.7042   -9.9984  -17.1710 C   0  0  0  0  0  0
+   -8.0761   -9.6893  -17.9915 H   0  0  0  0  0  0
+   -9.5620  -11.9430  -18.4412 N   0  0  0  0  0  0
+  -10.3754  -12.5429  -18.5143 H   0  0  0  0  0  0
+   -8.6769  -12.0520  -19.4498 C   0  0  0  0  0  0
+   -7.6135  -11.4339  -19.5265 O   0  0  0  0  0  0
+   -9.0608  -13.0306  -20.5667 C   0  0  0  0  0  0
+   -9.3324  -12.4679  -21.4599 H   0  0  0  0  0  0
+   -9.9289  -13.6319  -20.2906 H   0  0  0  0  0  0
+   -7.9832  -13.8971  -20.8712 O   0  0  0  0  0  0
+   -8.2687  -14.4667  -21.5693 H   0  0  0  0  0  0
+  -11.0691  -11.0270  -14.3602 H   0  0  0  0  0  0
+   -9.6702   -9.0244  -14.0359 H   0  0  0  0  0  0
+   -4.7613   -7.6378  -15.8681 Cl  0  0  0  0  0  0
+   -3.7205   -5.0811  -16.4718 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 33  1  0  0  0
+  4  5  2  0  0  0
+  4 32  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 31  1  0  0  0
+ 16 17  2  0  0  0
+ 16 30  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 26  1  0  0  0
+ 25 27  1  0  0  0
+ 25 28  1  0  0  0
+ 28 29  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+10
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NIMl1bT0hd
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0041
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0041
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+35.9809
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_ejm_50-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+10
+
+> <i_i_glide_rotatable_bonds>
+7
+
+> <r_i_docking_score>
+-9.52147740885643
+
+> <r_i_glide_ligand_efficiency>
+-0.432794427675292
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.21270700718515
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.32739638305154
+
+> <r_i_glide_gscore>
+-9.52147740885643
+
+> <r_i_glide_lipo>
+-3.51225061750275
+
+> <r_i_glide_hbond>
+-0.553539298675415
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.34130303424368
+
+> <r_i_glide_evdw>
+-49.0786361694336
+
+> <r_i_glide_ecoul>
+-9.74835586547852
+
+> <r_i_glide_erotb>
+0.80180072985887
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-91.0750533852305
+
+> <r_i_glide_energy>
+-58.8269920349121
+
+> <r_i_glide_einternal>
+0.0734923481941223
+
+> <i_i_glide_confnum>
+11
+
+> <i_i_glide_posenum>
+12
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.0567732838343503
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_ejm_45
+                    3D
+ Schrodinger Suite 2022-3.
+ 39 41  0  0  1  0            999 V2000
+   -4.7653   -2.7760  -16.4617 H   0  0  0  0  0  0
+   -5.3593   -3.6410  -16.2030 C   0  0  0  0  0  0
+   -4.7748   -4.9180  -16.1991 C   0  0  0  0  0  0
+   -5.5374   -6.0484  -15.8455 C   0  0  0  0  0  0
+   -6.9029   -5.9091  -15.4832 C   0  0  0  0  0  0
+   -7.4906   -4.6189  -15.5147 C   0  0  0  0  0  0
+   -6.7175   -3.4985  -15.8728 C   0  0  0  0  0  0
+   -7.1710   -2.5202  -15.8954 H   0  0  0  0  0  0
+   -9.1625   -4.3708  -15.1484 Cl  0  0  0  0  0  0
+   -7.7142   -7.0985  -15.0517 C   0  0  0  0  0  0
+   -8.1252   -7.1792  -13.8939 O   0  0  0  0  0  0
+   -7.9143   -8.0102  -16.0203 N   0  0  0  0  0  0
+   -7.4505   -7.8164  -16.8957 H   0  0  0  0  0  0
+   -8.7301   -9.1752  -16.0199 C   0  0  0  0  0  0
+   -9.5662   -9.5758  -14.9563 C   0  0  0  0  0  0
+  -10.3667  -10.7163  -15.1327 C   0  0  0  0  0  0
+  -10.3622  -11.4650  -16.2560 N   0  0  0  0  0  0
+   -9.5398  -11.1166  -17.2754 C   0  0  0  0  0  0
+   -8.7272   -9.9574  -17.1911 C   0  0  0  0  0  0
+   -8.1074   -9.6434  -18.0179 H   0  0  0  0  0  0
+   -9.5624  -11.9160  -18.4518 N   0  0  0  0  0  0
+  -10.4093  -12.4586  -18.5637 H   0  0  0  0  0  0
+   -8.6555  -12.0363  -19.4383 C   0  0  0  0  0  0
+   -7.5594  -11.4760  -19.4513 O   0  0  0  0  0  0
+   -9.0625  -12.9425  -20.6104 C   0  0  0  0  0  0
+   -9.7771  -12.3994  -21.2296 H   0  0  0  0  0  0
+   -9.5820  -13.8314  -20.2521 H   0  0  0  0  0  0
+   -7.8922  -13.3639  -21.4848 C   0  0  0  0  0  0
+   -7.0388  -14.5520  -21.1047 C   0  0  0  0  0  0
+   -7.9413  -14.6258  -22.3142 C   0  0  0  0  0  0
+   -7.4723  -14.5952  -23.2971 H   0  0  0  0  0  0
+   -8.8440  -15.2291  -22.2526 H   0  0  0  0  0  0
+   -7.3325  -15.1164  -20.2240 H   0  0  0  0  0  0
+   -5.9664  -14.4567  -21.2681 H   0  0  0  0  0  0
+   -7.3673  -12.5289  -21.9445 H   0  0  0  0  0  0
+  -11.0351  -11.0381  -14.3489 H   0  0  0  0  0  0
+   -9.6382   -9.0281  -14.0304 H   0  0  0  0  0  0
+   -4.7515   -7.5847  -15.8530 Cl  0  0  0  0  0  0
+   -3.7310   -5.0243  -16.4574 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 39  1  0  0  0
+  4  5  2  0  0  0
+  4 38  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 37  1  0  0  0
+ 16 17  2  0  0  0
+ 16 36  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 26  1  0  0  0
+ 25 27  1  0  0  0
+ 25 28  1  0  0  0
+ 28 30  1  0  0  0
+ 28 29  1  0  0  0
+ 28 35  1  0  0  0
+ 29 30  1  0  0  0
+ 29 33  1  0  0  0
+ 29 34  1  0  0  0
+ 30 31  1  0  0  0
+ 30 32  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+5
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NIMl1bQ0hdM1tDSDJdW0NIMl0z
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0034
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0034
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+29.5712
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_ejm_45-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+5
+
+> <i_i_glide_rotatable_bonds>
+7
+
+> <r_i_docking_score>
+-9.48758772992379
+
+> <r_i_glide_ligand_efficiency>
+-0.395316155413491
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.1402891093534
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.27081510080344
+
+> <r_i_glide_gscore>
+-9.48758772992379
+
+> <r_i_glide_lipo>
+-3.51168932646743
+
+> <r_i_glide_hbond>
+-0.564433849841971
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.34192253721442
+
+> <r_i_glide_evdw>
+-50.7466583251953
+
+> <r_i_glide_ecoul>
+-8.2814474105835
+
+> <r_i_glide_erotb>
+0.710008011447321
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-90.4558993852191
+
+> <r_i_glide_energy>
+-59.0281057357788
+
+> <r_i_glide_einternal>
+0.525283455848694
+
+> <i_i_glide_confnum>
+4
+
+> <i_i_glide_posenum>
+11
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.0846505747959884
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_jmc_28
+                    3D
+ Schrodinger Suite 2022-3.
+ 39 41  0  0  1  0            999 V2000
+   -4.7391   -2.7886  -16.4408 H   0  0  0  0  0  0
+   -5.3411   -3.6508  -16.1890 C   0  0  0  0  0  0
+   -4.7685   -4.9310  -16.1776 C   0  0  0  0  0  0
+   -5.5350   -6.0559  -15.8238 C   0  0  0  0  0  0
+   -6.8979   -5.9074  -15.4622 C   0  0  0  0  0  0
+   -7.4809   -4.6158  -15.5046 C   0  0  0  0  0  0
+   -6.6987   -3.5009  -15.8628 C   0  0  0  0  0  0
+   -7.1480   -2.5212  -15.8957 H   0  0  0  0  0  0
+   -9.1567   -4.3628  -15.1552 Cl  0  0  0  0  0  0
+   -7.7130   -7.0932  -15.0298 C   0  0  0  0  0  0
+   -8.1296   -7.1733  -13.8741 O   0  0  0  0  0  0
+   -7.9193   -8.0014  -16.0004 N   0  0  0  0  0  0
+   -7.4494   -7.8110  -16.8727 H   0  0  0  0  0  0
+   -8.7347   -9.1633  -16.0057 C   0  0  0  0  0  0
+   -9.5725   -9.5704  -14.9464 C   0  0  0  0  0  0
+  -10.3637  -10.7173  -15.1280 C   0  0  0  0  0  0
+  -10.3446  -11.4660  -16.2511 N   0  0  0  0  0  0
+   -9.5361  -11.1013  -17.2725 C   0  0  0  0  0  0
+   -8.7315   -9.9366  -17.1810 C   0  0  0  0  0  0
+   -8.1240   -9.6027  -18.0068 H   0  0  0  0  0  0
+   -9.5526  -11.9083  -18.4440 N   0  0  0  0  0  0
+  -10.3394  -12.5441  -18.5072 H   0  0  0  0  0  0
+   -8.6680  -11.9843  -19.4572 C   0  0  0  0  0  0
+   -7.6505  -11.2977  -19.5471 O   0  0  0  0  0  0
+   -9.0548  -12.9922  -20.4979 C   0  0  2  0  0  0
+   -7.9992  -13.8069  -21.2467 C   0  0  1  0  0  0
+   -8.7187  -12.6841  -21.9436 C   0  0  0  0  0  0
+   -8.1524  -11.7785  -22.1629 H   0  0  0  0  0  0
+   -9.4743  -12.9398  -22.6838 H   0  0  0  0  0  0
+   -8.3294  -14.8103  -21.5041 H   0  0  0  0  0  0
+   -6.5008  -13.7328  -21.0555 C   0  0  0  0  0  0
+   -6.1494  -12.7090  -20.9351 H   0  0  0  0  0  0
+   -6.0011  -14.1541  -21.9260 H   0  0  0  0  0  0
+   -6.2161  -14.3167  -20.1891 H   0  0  0  0  0  0
+  -10.0071  -13.4969  -20.3282 H   0  0  0  0  0  0
+  -11.0189  -11.0555  -14.3372 H   0  0  0  0  0  0
+   -9.6386   -9.0285  -14.0148 H   0  0  0  0  0  0
+   -4.7605   -7.5996  -15.8546 Cl  0  0  0  0  0  0
+   -3.7253   -5.0535  -16.4278 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 39  1  0  0  0
+  4  5  2  0  0  0
+  4 38  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 37  1  0  0  0
+ 16 17  2  0  0  0
+ 16 36  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 27  1  0  0  0
+ 25 26  1  0  0  0
+ 25 35  1  0  0  0
+ 26 27  1  0  0  0
+ 26 30  1  0  0  0
+ 26 31  1  0  0  0
+ 27 28  1  0  0  0
+ 27 29  1  0  0  0
+ 31 32  1  0  0  0
+ 31 33  1  0  0  0
+ 31 34  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+15
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NAQEhdM1tDQEBIXShbQ0gyXTMpW0NIM10=
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0034
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0034
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+47.3336
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_jmc_28-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+15
+
+> <i_i_glide_rotatable_bonds>
+6
+
+> <r_i_docking_score>
+-9.46170487655339
+
+> <r_i_glide_ligand_efficiency>
+-0.394237703189725
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.13717831484405
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.26462014630516
+
+> <r_i_glide_gscore>
+-9.46170487655339
+
+> <r_i_glide_lipo>
+-3.56060944859487
+
+> <r_i_glide_hbond>
+-0.595290031095215
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.0445715853034
+
+> <r_i_glide_evdw>
+-51.7238655090332
+
+> <r_i_glide_ecoul>
+-8.55745887756348
+
+> <r_i_glide_erotb>
+0.608578295526275
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-95.8025763049769
+
+> <r_i_glide_energy>
+-60.2813243865967
+
+> <r_i_glide_einternal>
+2.81075955399501e-07
+
+> <i_i_glide_confnum>
+1
+
+> <i_i_glide_posenum>
+1
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.0852310574338579
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_ejm_55
+                    3D
+ Schrodinger Suite 2022-3.
+ 33 34  0  0  1  0            999 V2000
+   -4.7613   -2.8397  -16.5102 H   0  0  0  0  0  0
+   -5.3523   -3.7030  -16.2338 C   0  0  0  0  0  0
+   -6.7119   -3.5535  -15.9048 C   0  0  0  0  0  0
+   -7.4825   -4.6708  -15.5247 C   0  0  0  0  0  0
+   -6.8919   -5.9582  -15.4782 C   0  0  0  0  0  0
+   -5.5305   -6.1061  -15.8489 C   0  0  0  0  0  0
+   -4.7661   -4.9804  -16.2122 C   0  0  0  0  0  0
+   -3.7221   -5.0947  -16.4735 H   0  0  0  0  0  0
+   -4.7552   -7.6474  -15.8742 Cl  0  0  0  0  0  0
+   -7.7009   -7.1391  -15.0337 C   0  0  0  0  0  0
+   -8.1107   -7.2067  -13.8751 O   0  0  0  0  0  0
+   -7.9036   -8.0552  -15.9984 N   0  0  0  0  0  0
+   -7.4395   -7.8707  -16.8747 H   0  0  0  0  0  0
+   -8.7248   -9.2112  -15.9967 C   0  0  0  0  0  0
+   -9.5797   -9.5832  -14.9391 C   0  0  0  0  0  0
+  -10.3845  -10.7211  -15.1098 C   0  0  0  0  0  0
+  -10.3622  -11.4944  -16.2168 N   0  0  0  0  0  0
+   -9.5407  -11.1586  -17.2369 C   0  0  0  0  0  0
+   -8.7124  -10.0125  -17.1561 C   0  0  0  0  0  0
+   -8.0834   -9.7135  -17.9798 H   0  0  0  0  0  0
+   -9.5636  -11.9570  -18.4109 N   0  0  0  0  0  0
+  -10.3678  -12.5614  -18.5205 H   0  0  0  0  0  0
+   -8.6548  -12.0190  -19.4596 C   0  0  0  0  0  0
+   -7.5887  -11.4105  -19.5887 O   0  0  0  0  0  0
+   -9.1329  -12.8952  -20.3535 O   0  0  0  0  0  0
+   -8.4378  -13.1280  -21.5675 C   0  0  0  0  0  0
+   -8.9607  -13.8808  -22.1567 H   0  0  0  0  0  0
+   -8.3791  -12.2167  -22.1608 H   0  0  0  0  0  0
+   -7.4265  -13.4875  -21.3818 H   0  0  0  0  0  0
+  -11.0723  -11.0170  -14.3328 H   0  0  0  0  0  0
+   -9.6692   -9.0159  -14.0254 H   0  0  0  0  0  0
+   -9.1577   -4.4222  -15.1602 Cl  0  0  0  0  0  0
+   -7.1650   -2.5732  -15.9433 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 33  1  0  0  0
+  4  5  2  0  0  0
+  4 32  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 31  1  0  0  0
+ 16 17  2  0  0  0
+ 16 30  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 26  1  0  0  0
+ 26 27  1  0  0  0
+ 26 28  1  0  0  0
+ 26 29  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+12
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pT1tDSDNd
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0045
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0045
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_epik_Chemistry_Notes>
+This compound has an ester and may undergo hydrolysis at high or low pH.
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+29.5005
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_ejm_55-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+12
+
+> <i_i_glide_rotatable_bonds>
+6
+
+> <r_i_docking_score>
+-9.27594548734965
+
+> <r_i_glide_ligand_efficiency>
+-0.42163388578862
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.18143472989949
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.26737942544084
+
+> <r_i_glide_gscore>
+-9.27594548734965
+
+> <r_i_glide_lipo>
+-3.45394722417443
+
+> <r_i_glide_hbond>
+-0.58868219204544
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.32974439564866
+
+> <r_i_glide_evdw>
+-49.2046813964844
+
+> <r_i_glide_ecoul>
+-7.53730249404907
+
+> <r_i_glide_erotb>
+0.68725776845046
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-86.6715643013745
+
+> <r_i_glide_energy>
+-56.7419838905334
+
+> <r_i_glide_einternal>
+0.0574479810893536
+
+> <i_i_glide_confnum>
+4
+
+> <i_i_glide_posenum>
+2
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.0556983854757992
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_ejm_43
+                    3D
+ Schrodinger Suite 2022-3.
+ 38 39  0  0  1  0            999 V2000
+   -4.7829   -2.7664  -16.5106 H   0  0  0  0  0  0
+   -5.3655   -3.6294  -16.2314 C   0  0  0  0  0  0
+   -4.7613   -4.8968  -16.2097 C   0  0  0  0  0  0
+   -5.5168   -6.0309  -15.8511 C   0  0  0  0  0  0
+   -6.8819   -5.9047  -15.5001 C   0  0  0  0  0  0
+   -7.4850   -4.6267  -15.5391 C   0  0  0  0  0  0
+   -6.7260   -3.4992  -15.8965 C   0  0  0  0  0  0
+   -7.1790   -2.5196  -15.9253 H   0  0  0  0  0  0
+   -9.1629   -4.3841  -15.1947 Cl  0  0  0  0  0  0
+   -7.6921   -7.1092  -15.0922 C   0  0  0  0  0  0
+   -8.1050   -7.2064  -13.9363 O   0  0  0  0  0  0
+   -7.8801   -8.0181  -16.0656 N   0  0  0  0  0  0
+   -7.4055   -7.8145  -16.9345 H   0  0  0  0  0  0
+   -8.6994   -9.1763  -16.0859 C   0  0  0  0  0  0
+   -9.5528   -9.5798  -15.0305 C   0  0  0  0  0  0
+  -10.3589  -10.7178  -15.2152 C   0  0  0  0  0  0
+  -10.3623  -11.4572  -16.3408 N   0  0  0  0  0  0
+   -9.5356  -11.1058  -17.3528 C   0  0  0  0  0  0
+   -8.7090   -9.9562  -17.2628 C   0  0  0  0  0  0
+   -8.0898   -9.6534  -18.0868 H   0  0  0  0  0  0
+   -9.5611  -11.9163  -18.5193 N   0  0  0  0  0  0
+  -10.3872  -12.4907  -18.6096 H   0  0  0  0  0  0
+   -8.6263  -12.0716  -19.4767 C   0  0  0  0  0  0
+   -7.5511  -11.4671  -19.5315 O   0  0  0  0  0  0
+   -8.9514  -13.1268  -20.5456 C   0  0  0  0  0  0
+   -9.8835  -13.6515  -20.3011 H   0  0  0  0  0  0
+   -7.7905  -14.1466  -20.7376 C   0  0  0  0  0  0
+   -7.5491  -14.7157  -19.8481 H   0  0  0  0  0  0
+   -6.8972  -13.6165  -21.1000 H   0  0  0  0  0  0
+   -8.0434  -14.8410  -21.5489 H   0  0  0  0  0  0
+   -9.0860  -12.5240  -21.9414 C   0  0  0  0  0  0
+   -9.9622  -11.9192  -21.9531 H   0  0  0  0  0  0
+   -8.2188  -11.9174  -22.2245 H   0  0  0  0  0  0
+   -9.2568  -13.2931  -22.6913 H   0  0  0  0  0  0
+  -11.0374  -11.0340  -14.4288 H   0  0  0  0  0  0
+   -9.6353   -9.0318  -14.1086 H   0  0  0  0  0  0
+   -4.7269   -7.5578  -15.8529 Cl  0  0  0  0  0  0
+   -3.7160   -5.0085  -16.4680 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 38  1  0  0  0
+  4  5  2  0  0  0
+  4 37  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 36  1  0  0  0
+ 16 17  2  0  0  0
+ 16 35  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 26  1  0  0  0
+ 25 27  1  0  0  0
+ 25 31  1  0  0  0
+ 27 28  1  0  0  0
+ 27 29  1  0  0  0
+ 27 30  1  0  0  0
+ 31 32  1  0  0  0
+ 31 33  1  0  0  0
+ 31 34  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+3
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NIXShbQ0gzXSlbQ0gzXQ==
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0034
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0034
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+32.6902
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_ejm_43-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+3
+
+> <i_i_glide_rotatable_bonds>
+6
+
+> <r_i_docking_score>
+-9.26699162516251
+
+> <r_i_glide_ligand_efficiency>
+-0.402912679354892
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.14583006338332
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.2408426033986
+
+> <r_i_glide_gscore>
+-9.26699162516251
+
+> <r_i_glide_lipo>
+-3.4464840111606
+
+> <r_i_glide_hbond>
+-0.566053744360385
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-2.39536251971087
+
+> <r_i_glide_evdw>
+-45.7821807861328
+
+> <r_i_glide_ecoul>
+-8.10685539245605
+
+> <r_i_glide_erotb>
+0.646045998244398
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-59.5528629401343
+
+> <r_i_glide_energy>
+-53.8890361785889
+
+> <r_i_glide_einternal>
+5.48275456822012e-05
+
+> <i_i_glide_confnum>
+1
+
+> <i_i_glide_posenum>
+2
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.0982556592093266
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
+lig_ejm_48
+                    3D
+ Schrodinger Suite 2022-3.
+ 42 44  0  0  1  0            999 V2000
+   -4.7741   -2.7894  -16.4539 H   0  0  0  0  0  0
+   -5.3627   -3.6562  -16.1906 C   0  0  0  0  0  0
+   -4.7787   -4.9337  -16.1880 C   0  0  0  0  0  0
+   -5.5424   -6.0629  -15.8358 C   0  0  0  0  0  0
+   -6.9069   -5.9224  -15.4708 C   0  0  0  0  0  0
+   -7.4922   -4.6311  -15.4928 C   0  0  0  0  0  0
+   -6.7190   -3.5118  -15.8528 C   0  0  0  0  0  0
+   -7.1716   -2.5324  -15.8708 H   0  0  0  0  0  0
+   -9.1623   -4.3804  -15.1214 Cl  0  0  0  0  0  0
+   -7.7233   -7.1134  -15.0554 C   0  0  0  0  0  0
+   -8.1264   -7.2140  -13.8967 O   0  0  0  0  0  0
+   -7.9412   -8.0000  -16.0435 N   0  0  0  0  0  0
+   -7.4836   -7.7874  -16.9175 H   0  0  0  0  0  0
+   -8.7585   -9.1619  -16.0633 C   0  0  0  0  0  0
+   -9.5870   -9.5827  -15.0024 C   0  0  0  0  0  0
+  -10.3763  -10.7278  -15.1910 C   0  0  0  0  0  0
+  -10.3614  -11.4679  -16.3194 N   0  0  0  0  0  0
+   -9.5575  -11.0951  -17.3422 C   0  0  0  0  0  0
+   -8.7610   -9.9243  -17.2472 C   0  0  0  0  0  0
+   -8.1506   -9.5881  -18.0705 H   0  0  0  0  0  0
+   -9.5625  -11.9034  -18.5141 N   0  0  0  0  0  0
+  -10.3436  -12.5417  -18.5743 H   0  0  0  0  0  0
+   -8.6606  -11.9969  -19.5063 C   0  0  0  0  0  0
+   -7.6418  -11.3079  -19.5881 O   0  0  0  0  0  0
+   -8.9247  -13.0847  -20.5652 C   0  0  0  0  0  0
+   -8.9572  -12.5701  -22.0139 C   0  0  0  0  0  0
+   -8.4102  -13.6664  -22.9344 C   0  0  0  0  0  0
+   -7.7416  -14.6866  -22.0206 C   0  0  0  0  0  0
+   -7.6724  -14.0028  -20.6585 C   0  0  0  0  0  0
+   -7.5624  -14.7255  -19.8531 H   0  0  0  0  0  0
+   -6.7568  -13.4083  -20.6440 H   0  0  0  0  0  0
+   -6.7593  -14.9887  -22.3851 H   0  0  0  0  0  0
+   -8.3620  -15.5788  -21.9585 H   0  0  0  0  0  0
+   -7.7029  -13.2481  -23.6512 H   0  0  0  0  0  0
+   -9.2139  -14.1347  -23.5039 H   0  0  0  0  0  0
+   -8.3491  -11.6716  -22.1286 H   0  0  0  0  0  0
+   -9.9623  -12.3170  -22.3148 H   0  0  0  0  0  0
+   -9.8177  -13.6722  -20.3437 H   0  0  0  0  0  0
+  -11.0353  -11.0705  -14.4065 H   0  0  0  0  0  0
+   -9.6606   -9.0481  -14.0686 H   0  0  0  0  0  0
+   -4.7620   -7.6018  -15.8533 Cl  0  0  0  0  0  0
+   -3.7368   -5.0465  -16.4517 H   0  0  0  0  0  0
+  1  2  1  0  0  0
+  2  7  1  0  0  0
+  2  3  2  0  0  0
+  3  4  1  0  0  0
+  3 42  1  0  0  0
+  4  5  2  0  0  0
+  4 41  1  0  0  0
+  5  6  1  0  0  0
+  5 10  1  0  0  0
+  6  7  2  0  0  0
+  6  9  1  0  0  0
+  7  8  1  0  0  0
+ 10 11  2  0  0  0
+ 10 12  1  0  0  0
+ 12 13  1  0  0  0
+ 12 14  1  0  0  0
+ 14 19  1  0  0  0
+ 14 15  2  0  0  0
+ 15 16  1  0  0  0
+ 15 40  1  0  0  0
+ 16 17  2  0  0  0
+ 16 39  1  0  0  0
+ 17 18  1  0  0  0
+ 18 19  2  0  0  0
+ 18 21  1  0  0  0
+ 19 20  1  0  0  0
+ 21 22  1  0  0  0
+ 21 23  1  0  0  0
+ 23 24  2  0  0  0
+ 23 25  1  0  0  0
+ 25 29  1  0  0  0
+ 25 26  1  0  0  0
+ 25 38  1  0  0  0
+ 26 27  1  0  0  0
+ 26 36  1  0  0  0
+ 26 37  1  0  0  0
+ 27 28  1  0  0  0
+ 27 34  1  0  0  0
+ 27 35  1  0  0  0
+ 28 29  1  0  0  0
+ 28 32  1  0  0  0
+ 28 33  1  0  0  0
+ 29 30  1  0  0  0
+ 29 31  1  0  0  0
+M  END
+> <s_m_source_file>
+ligprep_tyk2.smi
+
+> <i_m_source_file_index>
+8
+
+> <i_lp_mmshare_version>
+53161
+
+> <i_f3d_flags>
+0
+
+> <s_epik_input>
+Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NIXTNbQ0gyXVtDSDJdW0NIMl1bQ0gyXTM=
+
+> <s_epik_cmdline>
+J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic=
+
+> <r_lp_tautomer_probability>
+1
+
+> <r_epik_Ionization_Penalty>
+  0.0034
+
+> <r_epik_Ionization_Penalty_Charging>
+  0.0000
+
+> <r_epik_Ionization_Penalty_Neutral>
+  0.0034
+
+> <r_epik_State_Penalty>
+ -0.0000
+
+> <r_epik_Charging_Adjusted_Penalty>
+0
+
+> <i_epik_Tot_Q>
+0
+
+> <i_epik_Tot_abs_Q>
+0
+
+> <s_lp_Force_Field>
+S-OPLS
+
+> <r_lp_Energy>
+40.067
+
+> <b_lp_Chiralities_Consistent>
+1
+
+> <s_lp_Variant>
+lig_ejm_48-1
+
+> <s_i_glide_gridfile>
+glide-grid_TYK2-4GIH
+
+> <i_i_glide_lignum>
+8
+
+> <i_i_glide_rotatable_bonds>
+6
+
+> <r_i_docking_score>
+-9.21420901398908
+
+> <r_i_glide_ligand_efficiency>
+-0.368568360559563
+
+> <r_i_glide_ligand_efficiency_sa>
+-1.07770042286387
+
+> <r_i_glide_ligand_efficiency_ln>
+-2.18404366387743
+
+> <r_i_glide_gscore>
+-9.21420901398908
+
+> <r_i_glide_lipo>
+-3.47917278493299
+
+> <r_i_glide_hbond>
+-0.617253380275747
+
+> <r_i_glide_metal>
+-0
+
+> <r_i_glide_rewards>
+-1.93342468814675
+
+> <r_i_glide_evdw>
+-50.1463508605957
+
+> <r_i_glide_ecoul>
+-8.30576133728027
+
+> <r_i_glide_erotb>
+0.568823582988235
+
+> <r_i_glide_esite>
+0
+
+> <r_i_glide_emodel>
+-80.8880188268105
+
+> <r_i_glide_energy>
+-58.452112197876
+
+> <r_i_glide_einternal>
+0.0368328206241131
+
+> <i_i_glide_confnum>
+1
+
+> <i_i_glide_posenum>
+3
+
+> <r_i_glide_eff_state_penalty>
+-0
+
+> <r_i_glide_rmsd>
+0.0940436998421653
+
+> <s_glide_core_constrain_type>
+snapped_core_restrain
+
+$$$$
diff --git a/examples/protein-ligand-repex/cli/tyk2_protein.pdb b/examples/protein-ligand-repex/cli/tyk2_protein.pdb
new file mode 100644
index 000000000..cc91d4366
--- /dev/null
+++ b/examples/protein-ligand-repex/cli/tyk2_protein.pdb
@@ -0,0 +1,4997 @@
+HEADER    TRANSFERASE/TRANSFERASE INHIBITOR       08-AUG-12   4GIH
+TITLE     TYK2 (JH1) IN COMPLEX WITH
+TITLE    2 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)
+TITLE    3 AMINO]PYRIDIN-4-YL}BENZAMIDE
+EXPDTA    X-RAY DIFFRACTION
+REMARK   2 RESOLUTION.    2.00 ANGSTROMS
+REMARK   3  R VALUE : 0.188000
+REMARK   3  FREE R VALUE : 0.217000
+REMARK   4 4GIH COMPLIES WITH FORMAT V. 3.30,
+REMARK 200  TEMPERATURE           (KELVIN) : 173.00
+REMARK 200  PH                             : 6.50
+REMARK 350 BIOMOLECULE: 1
+REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
+REMARK 350   BIOMT1  1   1.000000 0.000000 0.000000   0.000000
+REMARK 350   BIOMT2  1   0.000000 1.000000 0.000000   0.000000
+REMARK 350   BIOMT3  1   0.000000 0.000000 1.000000   0.000000
+REMARK 888
+REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC)
+SEQRES   1 A  290  ACE THR VAL PHE HIS LYS ARG TYR LEU LYS LYS ILE ARG
+SEQRES   2 A  290  ASP LEU GLY GLU GLY HIS PHE GLY LYS VAL SER LEU TYR
+SEQRES   3 A  290  CYS TYR ASP PRO THR ASN ASP GLY THR GLY GLU MET VAL
+SEQRES   4 A  290  ALA VAL LYS ALA LEU LYS ALA ASP ALA GLY PRO GLN HIS
+SEQRES   5 A  290  ARG SER GLY TRP LYS GLN GLU ILE ASP ILE LEU ARG THR
+SEQRES   6 A  290  LEU TYR HIS GLU HIS ILE ILE LYS TYR LYS GLY CYS CYS
+SEQRES   7 A  290  GLU ASP ALA GLY ALA ALA SER LEU GLN LEU VAL MET GLU
+SEQRES   8 A  290  TYR VAL PRO LEU GLY SER LEU ARG ASP TYR LEU PRO ARG
+SEQRES   9 A  290  HIS SER ILE GLY LEU ALA GLN LEU LEU LEU PHE ALA GLN
+SEQRES  10 A  290  GLN ILE CYS GLU GLY MET ALA TYR LEU HIS ALA GLN HIS
+SEQRES  11 A  290  TYR ILE HIS ARG ASN LEU ALA ALA ARG ASN VAL LEU LEU
+SEQRES  12 A  290  ASP ASN ASP ARG LEU VAL LYS ILE GLY ASP PHE GLY LEU
+SEQRES  13 A  290  ALA LYS ALA VAL PRO GLU GLY HIS GLU TYR TYR ARG VAL
+SEQRES  14 A  290  ARG GLU ASP GLY ASP SER PRO VAL PHE TRP TYR ALA PRO
+SEQRES  15 A  290  GLU CYS LEU LYS GLU TYR LYS PHE TYR TYR ALA SER ASP
+SEQRES  16 A  290  VAL TRP SER PHE GLY VAL THR LEU TYR GLU LEU LEU THR
+SEQRES  17 A  290  HIS CYS ASP SER SER GLN SER PRO PRO THR LYS PHE LEU
+SEQRES  18 A  290  GLU LEU ILE GLY ILE ALA GLN GLY GLN MET THR VAL LEU
+SEQRES  19 A  290  ARG LEU THR GLU LEU LEU GLU ARG GLY GLU ARG LEU PRO
+SEQRES  20 A  290  ARG PRO ASP LYS CYS PRO ALA GLU VAL TYR HIS LEU MET
+SEQRES  21 A  290  LYS ASN CYS TRP GLU THR GLU ALA SER PHE ARG PRO THR
+SEQRES  22 A  290  PHE GLU ASN LEU ILE PRO ILE LEU LYS THR VAL HIS GLU
+SEQRES  23 A  290  LYS TYR ARG NME
+FORMUL   2  HOH   *2(H2 0)
+HELIX    1   1 HIS A  940  HIS A  940  1
+HELIX    2   2 ARG A  941  ARG A  941  1
+HELIX    3   3 SER A  942  SER A  942  1
+HELIX    4   4 GLY A  943  GLY A  943  1
+HELIX    5   5 TRP A  944  TRP A  944  1
+HELIX    6   6 LYS A  945  LYS A  945  1
+HELIX    7   7 GLN A  946  GLN A  946  1
+HELIX    8   8 GLU A  947  GLU A  947  1
+HELIX    9   9 ILE A  948  ILE A  948  1
+HELIX   10  10 ASP A  949  ASP A  949  1
+HELIX   11  11 ILE A  950  ILE A  950  1
+HELIX   12  12 LEU A  951  LEU A  951  1
+HELIX   13  13 ARG A  952  ARG A  952  1
+HELIX   14  14 THR A  953  THR A  953  1
+HELIX   15  15 LEU A  986  LEU A  986  1
+HELIX   16  16 ARG A  987  ARG A  987  1
+HELIX   17  17 ASP A  988  ASP A  988  1
+HELIX   18  18 TYR A  989  TYR A  989  1
+HELIX   19  19 LEU A  997  LEU A  997  1
+HELIX   20  20 ALA A  998  ALA A  998  1
+HELIX   21  21 GLN A  999  GLN A  999  1
+HELIX   22  22 LEU A 1000  LEU A 1000  1
+HELIX   23  23 LEU A 1001  LEU A 1001  1
+HELIX   24  24 LEU A 1002  LEU A 1002  1
+HELIX   25  25 PHE A 1003  PHE A 1003  1
+HELIX   26  26 ALA A 1004  ALA A 1004  1
+HELIX   27  27 GLN A 1005  GLN A 1005  1
+HELIX   28  28 GLN A 1006  GLN A 1006  1
+HELIX   29  29 ILE A 1007  ILE A 1007  1
+HELIX   30  30 CYS A 1008  CYS A 1008  1
+HELIX   31  31 GLU A 1009  GLU A 1009  1
+HELIX   32  32 GLY A 1010  GLY A 1010  1
+HELIX   33  33 MET A 1011  MET A 1011  1
+HELIX   34  34 ALA A 1012  ALA A 1012  1
+HELIX   35  35 TYR A 1013  TYR A 1013  1
+HELIX   36  36 LEU A 1014  LEU A 1014  1
+HELIX   37  37 HIS A 1015  HIS A 1015  1
+HELIX   38  38 ALA A 1016  ALA A 1016  1
+HELIX   39  39 TYR A 1080  TYR A 1080  1
+HELIX   40  40 ALA A 1081  ALA A 1081  1
+HELIX   41  41 SER A 1082  SER A 1082  1
+HELIX   42  42 ASP A 1083  ASP A 1083  1
+HELIX   43  43 VAL A 1084  VAL A 1084  1
+HELIX   44  44 TRP A 1085  TRP A 1085  1
+HELIX   45  45 SER A 1086  SER A 1086  1
+HELIX   46  46 PHE A 1087  PHE A 1087  1
+HELIX   47  47 GLY A 1088  GLY A 1088  1
+HELIX   48  48 VAL A 1089  VAL A 1089  1
+HELIX   49  49 THR A 1090  THR A 1090  1
+HELIX   50  50 LEU A 1091  LEU A 1091  1
+HELIX   51  51 TYR A 1092  TYR A 1092  1
+HELIX   52  52 GLU A 1093  GLU A 1093  1
+HELIX   53  53 LEU A 1094  LEU A 1094  1
+HELIX   54  54 LEU A 1095  LEU A 1095  1
+HELIX   55  55 LYS A 1107  LYS A 1107  1
+HELIX   56  56 PHE A 1108  PHE A 1108  1
+HELIX   57  57 LEU A 1109  LEU A 1109  1
+HELIX   58  58 GLU A 1110  GLU A 1110  1
+HELIX   59  59 LEU A 1111  LEU A 1111  1
+HELIX   60  60 ILE A 1112  ILE A 1112  1
+HELIX   61  61 THR A 1120  THR A 1120  1
+HELIX   62  62 VAL A 1121  VAL A 1121  1
+HELIX   63  63 LEU A 1122  LEU A 1122  1
+HELIX   64  64 ARG A 1123  ARG A 1123  1
+HELIX   65  65 LEU A 1124  LEU A 1124  1
+HELIX   66  66 THR A 1125  THR A 1125  1
+HELIX   67  67 GLU A 1126  GLU A 1126  1
+HELIX   68  68 LEU A 1127  LEU A 1127  1
+HELIX   69  69 LEU A 1128  LEU A 1128  1
+HELIX   70  70 GLU A 1129  GLU A 1129  1
+HELIX   71  71 GLU A 1143  GLU A 1143  1
+HELIX   72  72 VAL A 1144  VAL A 1144  1
+HELIX   73  73 TYR A 1145  TYR A 1145  1
+HELIX   74  74 HIS A 1146  HIS A 1146  1
+HELIX   75  75 LEU A 1147  LEU A 1147  1
+HELIX   76  76 MET A 1148  MET A 1148  1
+HELIX   77  77 LYS A 1149  LYS A 1149  1
+HELIX   78  78 ASN A 1150  ASN A 1150  1
+HELIX   79  79 CYS A 1151  CYS A 1151  1
+HELIX   80  80 PHE A 1162  PHE A 1162  1
+HELIX   81  81 GLU A 1163  GLU A 1163  1
+HELIX   82  82 ASN A 1164  ASN A 1164  1
+HELIX   83  83 LEU A 1165  LEU A 1165  1
+HELIX   84  84 ILE A 1166  ILE A 1166  1
+HELIX   85  85 PRO A 1167  PRO A 1167  1
+HELIX   86  86 ILE A 1168  ILE A 1168  1
+HELIX   87  87 LEU A 1169  LEU A 1169  1
+HELIX   88  88 LYS A 1170  LYS A 1170  1
+HELIX   89  89 THR A 1171  THR A 1171  1
+HELIX   90  90 VAL A 1172  VAL A 1172  1
+HELIX   91  91 HIS A 1173  HIS A 1173  1
+HELIX   92  92 GLU A 1174  GLU A 1174  1
+HELIX   93  93 LYS A 1175  LYS A 1175  1
+HELIX   94  94 TYR A 1176  TYR A 1176  1
+TURN     1   1 THR A 890  THR A 890
+TURN     2   2 VAL A 891  VAL A 891
+TURN     3   3 HIS A 893  HIS A 893
+TURN     4   4 LYS A 894  LYS A 894
+TURN     5   5 ARG A 895  ARG A 895
+TURN     6   6 TYR A 896  TYR A 896
+TURN     7   7 GLY A 906  GLY A 906
+TURN     8   8 HIS A 907  HIS A 907
+TURN     9   9 PHE A 908  PHE A 908
+TURN    10  10 GLY A 909  GLY A 909
+TURN    11  11 ASP A 917  ASP A 917
+TURN    12  12 PRO A 918  PRO A 918
+TURN    13  13 THR A 919  THR A 919
+TURN    14  14 ASN A 920  ASN A 920
+TURN    15  15 ASP A 921  ASP A 921
+TURN    16  16 GLY A 922  GLY A 922
+TURN    17  17 THR A 923  THR A 923
+TURN    18  18 GLY A 924  GLY A 924
+TURN    19  19 ALA A 931  ALA A 931
+TURN    20  20 LEU A 932  LEU A 932
+TURN    21  21 LYS A 933  LYS A 933
+TURN    22  22 ALA A 934  ALA A 934
+TURN    23  23 ASP A 935  ASP A 935
+TURN    24  24 ALA A 936  ALA A 936
+TURN    25  25 GLY A 937  GLY A 937
+TURN    26  26 PRO A 938  PRO A 938
+TURN    27  27 GLN A 939  GLN A 939
+TURN    28  28 LEU A 954  LEU A 954
+TURN    29  29 TYR A 955  TYR A 955
+TURN    30  30 HIS A 956  HIS A 956
+TURN    31  31 GLU A 957  GLU A 957
+TURN    32  32 HIS A 958  HIS A 958
+TURN    33  33 ILE A 959  ILE A 959
+TURN    34  34 ILE A 960  ILE A 960
+TURN    35  35 LYS A 961  LYS A 961
+TURN    36  36 ALA A 969  ALA A 969
+TURN    37  37 GLY A 970  GLY A 970
+TURN    38  38 ALA A 971  ALA A 971
+TURN    39  39 ALA A 972  ALA A 972
+TURN    40  40 TYR A 980  TYR A 980
+TURN    41  41 VAL A 981  VAL A 981
+TURN    42  42 PRO A 982  PRO A 982
+TURN    43  43 LEU A 983  LEU A 983
+TURN    44  44 LEU A 990  LEU A 990
+TURN    45  45 PRO A 991  PRO A 991
+TURN    46  46 ARG A 992  ARG A 992
+TURN    47  47 HIS A 993  HIS A 993
+TURN    48  48 SER A 994  SER A 994
+TURN    49  49 ILE A 995  ILE A 995
+TURN    50  50 GLY A 996  GLY A 996
+TURN    51  51 GLN A1017  GLN A1017
+TURN    52  52 HIS A1018  HIS A1018
+TURN    53  53 HIS A1021  HIS A1021
+TURN    54  54 ARG A1022  ARG A1022
+TURN    55  55 ASN A1023  ASN A1023
+TURN    56  56 LEU A1024  LEU A1024
+TURN    57  57 ALA A1025  ALA A1025
+TURN    58  58 ALA A1026  ALA A1026
+TURN    59  59 ARG A1027  ARG A1027
+TURN    60  60 ASN A1028  ASN A1028
+TURN    61  61 ASP A1034  ASP A1034
+TURN    62  62 ARG A1035  ARG A1035
+TURN    63  63 GLY A1040  GLY A1040
+TURN    64  64 ASP A1041  ASP A1041
+TURN    65  65 PHE A1042  PHE A1042
+TURN    66  66 GLY A1043  GLY A1043
+TURN    67  67 LEU A1044  LEU A1044
+TURN    68  68 ALA A1045  ALA A1045
+TURN    69  69 VAL A1048  VAL A1048
+TURN    70  70 PRO A1049  PRO A1049
+TURN    71  71 GLU A1050  GLU A1050
+TURN    72  72 GLY A1051  GLY A1051
+TURN    73  73 HIS A1052  HIS A1052
+TURN    74  74 GLU A1053  GLU A1053
+TURN    75  75 VAL A1057  VAL A1057
+TURN    76  76 ARG A1058  ARG A1058
+TURN    77  77 GLU A1059  GLU A1059
+TURN    78  78 ASP A1060  ASP A1060
+TURN    79  79 GLY A1061  GLY A1061
+TURN    80  80 ASP A1062  ASP A1062
+TURN    81  81 SER A1063  SER A1063
+TURN    82  82 PRO A1064  PRO A1064
+TURN    83  83 VAL A1065  VAL A1065
+TURN    84  84 PHE A1066  PHE A1066
+TURN    85  85 TRP A1067  TRP A1067
+TURN    86  86 TYR A1068  TYR A1068
+TURN    87  87 ALA A1069  ALA A1069
+TURN    88  88 PRO A1070  PRO A1070
+TURN    89  89 GLU A1071  GLU A1071
+TURN    90  90 CYS A1072  CYS A1072
+TURN    91  91 LEU A1073  LEU A1073
+TURN    92  92 LYS A1074  LYS A1074
+TURN    93  93 GLU A1075  GLU A1075
+TURN    94  94 TYR A1076  TYR A1076
+TURN    95  95 THR A1096  THR A1096
+TURN    96  96 HIS A1097  HIS A1097
+TURN    97  97 CYS A1098  CYS A1098
+TURN    98  98 ASP A1099  ASP A1099
+TURN    99  99 SER A1100  SER A1100
+TURN   100 100 SER A1101  SER A1101
+TURN   101 101 GLN A1102  GLN A1102
+TURN   102 102 SER A1103  SER A1103
+TURN   103 103 PRO A1104  PRO A1104
+TURN   104 104 PRO A1105  PRO A1105
+TURN   105 105 THR A1106  THR A1106
+TURN   106 106 GLY A1113  GLY A1113
+TURN   107 107 ILE A1114  ILE A1114
+TURN   108 108 ALA A1115  ALA A1115
+TURN   109 109 GLN A1116  GLN A1116
+TURN   110 110 GLY A1117  GLY A1117
+TURN   111 111 GLN A1118  GLN A1118
+TURN   112 112 MET A1119  MET A1119
+TURN   113 113 ARG A1130  ARG A1130
+TURN   114 114 GLY A1131  GLY A1131
+TURN   115 115 GLU A1132  GLU A1132
+TURN   116 116 ARG A1133  ARG A1133
+TURN   117 117 LEU A1134  LEU A1134
+TURN   118 118 PRO A1135  PRO A1135
+TURN   119 119 ARG A1136  ARG A1136
+TURN   120 120 PRO A1137  PRO A1137
+TURN   121 121 ASP A1138  ASP A1138
+TURN   122 122 LYS A1139  LYS A1139
+TURN   123 123 CYS A1140  CYS A1140
+TURN   124 124 PRO A1141  PRO A1141
+TURN   125 125 ALA A1142  ALA A1142
+TURN   126 126 TRP A1152  TRP A1152
+TURN   127 127 GLU A1153  GLU A1153
+TURN   128 128 THR A1154  THR A1154
+TURN   129 129 GLU A1155  GLU A1155
+TURN   130 130 ALA A1156  ALA A1156
+TURN   131 131 SER A1157  SER A1157
+TURN   132 132 PHE A1158  PHE A1158
+TURN   133 133 ARG A1159  ARG A1159
+TURN   134 134 PRO A1160  PRO A1160
+TURN   135 135 THR A1161  THR A1161
+TURN   136 136 ARG A1177  ARG A1177
+SHEET    1   1 1 PHE A 892  PHE A 892  0
+SHEET    1   2 1 LEU A 897  LEU A 897  0
+SHEET    1   3 1 LYS A 898  LYS A 898  0
+SHEET    1   4 1 LYS A 899  LYS A 899  0
+SHEET    1   5 1 ILE A 900  ILE A 900  0
+SHEET    1   6 1 ARG A 901  ARG A 901  0
+SHEET    1   7 1 ASP A 902  ASP A 902  0
+SHEET    1   8 1 LEU A 903  LEU A 903  0
+SHEET    1   9 1 GLY A 904  GLY A 904  0
+SHEET    1  10 1 GLU A 905  GLU A 905  0
+SHEET    1  11 1 LYS A 910  LYS A 910  0
+SHEET    1  12 1 VAL A 911  VAL A 911  0
+SHEET    1  13 1 SER A 912  SER A 912  0
+SHEET    1  14 1 LEU A 913  LEU A 913  0
+SHEET    1  15 1 TYR A 914  TYR A 914  0
+SHEET    1  16 1 CYS A 915  CYS A 915  0
+SHEET    1  17 1 TYR A 916  TYR A 916  0
+SHEET    1  18 1 GLU A 925  GLU A 925  0
+SHEET    1  19 1 MET A 926  MET A 926  0
+SHEET    1  20 1 VAL A 927  VAL A 927  0
+SHEET    1  21 1 ALA A 928  ALA A 928  0
+SHEET    1  22 1 VAL A 929  VAL A 929  0
+SHEET    1  23 1 LYS A 930  LYS A 930  0
+SHEET    1  24 1 TYR A 962  TYR A 962  0
+SHEET    1  25 1 LYS A 963  LYS A 963  0
+SHEET    1  26 1 GLY A 964  GLY A 964  0
+SHEET    1  27 1 CYS A 965  CYS A 965  0
+SHEET    1  28 1 CYS A 966  CYS A 966  0
+SHEET    1  29 1 GLU A 967  GLU A 967  0
+SHEET    1  30 1 ASP A 968  ASP A 968  0
+SHEET    1  31 1 SER A 973  SER A 973  0
+SHEET    1  32 1 LEU A 974  LEU A 974  0
+SHEET    1  33 1 GLN A 975  GLN A 975  0
+SHEET    1  34 1 LEU A 976  LEU A 976  0
+SHEET    1  35 1 VAL A 977  VAL A 977  0
+SHEET    1  36 1 MET A 978  MET A 978  0
+SHEET    1  37 1 GLU A 979  GLU A 979  0
+SHEET    1  38 1 GLY A 984  GLY A 984  0
+SHEET    1  39 1 SER A 985  SER A 985  0
+SHEET    1  40 1 TYR A1019  TYR A1019  0
+SHEET    1  41 1 ILE A1020  ILE A1020  0
+SHEET    1  42 1 VAL A1029  VAL A1029  0
+SHEET    1  43 1 LEU A1030  LEU A1030  0
+SHEET    1  44 1 LEU A1031  LEU A1031  0
+SHEET    1  45 1 ASP A1032  ASP A1032  0
+SHEET    1  46 1 ASN A1033  ASN A1033  0
+SHEET    1  47 1 LEU A1036  LEU A1036  0
+SHEET    1  48 1 VAL A1037  VAL A1037  0
+SHEET    1  49 1 LYS A1038  LYS A1038  0
+SHEET    1  50 1 ILE A1039  ILE A1039  0
+SHEET    1  51 1 LYS A1046  LYS A1046  0
+SHEET    1  52 1 ALA A1047  ALA A1047  0
+SHEET    1  53 1 TYR A1054  TYR A1054  0
+SHEET    1  54 1 TYR A1055  TYR A1055  0
+SHEET    1  55 1 ARG A1056  ARG A1056  0
+SHEET    1  56 1 LYS A1077  LYS A1077  0
+SHEET    1  57 1 PHE A1078  PHE A1078  0
+SHEET    1  58 1 TYR A1079  TYR A1079  0
+CRYST1   36.165   74.378  105.855  90.00  90.00  90.00 P 21 21 21    4
+HETATM    1  CH3 ACE A 889     -15.732 -12.861   4.218  1.00  0.00           C  
+HETATM    2  C   ACE A 889     -15.276 -14.194   3.635  1.00  0.00           C  
+HETATM    3  O   ACE A 889     -14.654 -14.989   4.340  1.00  0.00           O  
+HETATM    4  H1  ACE A 889     -16.009 -12.980   5.266  1.00  0.00           H  
+HETATM    5  H2  ACE A 889     -14.926 -12.130   4.156  1.00  0.00           H  
+HETATM    6  H3  ACE A 889     -16.597 -12.470   3.681  1.00  0.00           H  
+ATOM      7  N   THR A 890     -15.597 -14.428   2.352  1.00 62.43           N  
+ATOM      8  CA  THR A 890     -15.253 -15.635   1.596  1.00 60.76           C  
+ATOM      9  C   THR A 890     -13.728 -15.808   1.437  1.00 61.63           C  
+ATOM     10  O   THR A 890     -13.057 -14.866   1.010  1.00 59.62           O  
+ATOM     11  CB  THR A 890     -15.877 -15.599   0.174  1.00 68.55           C  
+ATOM     12  OG1 THR A 890     -17.274 -15.403   0.277  1.00 68.98           O  
+ATOM     13  CG2 THR A 890     -15.641 -16.864  -0.673  1.00 67.10           C  
+ATOM     14  H   THR A 890     -16.130 -13.740   1.841  1.00 62.43           H  
+ATOM     15  HA  THR A 890     -15.657 -16.493   2.137  1.00 60.76           H  
+ATOM     16  HB  THR A 890     -15.485 -14.740  -0.372  1.00 68.55           H  
+ATOM     17  HG1 THR A 890     -17.659 -15.483  -0.599  1.00 68.98           H  
+ATOM     18 HG21 THR A 890     -16.174 -16.812  -1.622  1.00 67.10           H  
+ATOM     19 HG22 THR A 890     -14.586 -17.005  -0.908  1.00 67.10           H  
+ATOM     20 HG23 THR A 890     -15.985 -17.757  -0.150  1.00 67.10           H  
+ATOM     21  N   VAL A 891     -13.227 -17.004   1.791  1.00 57.37           N  
+ATOM     22  CA  VAL A 891     -11.803 -17.336   1.789  1.00 55.39           C  
+ATOM     23  C   VAL A 891     -11.483 -18.438   0.759  1.00 56.21           C  
+ATOM     24  O   VAL A 891     -12.251 -19.388   0.600  1.00 57.24           O  
+ATOM     25  CB  VAL A 891     -11.320 -17.760   3.208  1.00 60.85           C  
+ATOM     26  CG1 VAL A 891     -11.950 -19.062   3.744  1.00 62.96           C  
+ATOM     27  CG2 VAL A 891      -9.783 -17.836   3.315  1.00 59.88           C  
+ATOM     28  H   VAL A 891     -13.848 -17.732   2.114  1.00 57.37           H  
+ATOM     29  HA  VAL A 891     -11.234 -16.448   1.522  1.00 55.39           H  
+ATOM     30  HB  VAL A 891     -11.633 -16.964   3.886  1.00 60.85           H  
+ATOM     31 HG11 VAL A 891     -11.669 -19.228   4.784  1.00 62.96           H  
+ATOM     32 HG12 VAL A 891     -13.039 -19.023   3.705  1.00 62.96           H  
+ATOM     33 HG13 VAL A 891     -11.625 -19.938   3.181  1.00 62.96           H  
+ATOM     34 HG21 VAL A 891      -9.471 -17.998   4.347  1.00 59.88           H  
+ATOM     35 HG22 VAL A 891      -9.371 -18.653   2.722  1.00 59.88           H  
+ATOM     36 HG23 VAL A 891      -9.317 -16.911   2.976  1.00 59.88           H  
+ATOM     37  N   PHE A 892     -10.333 -18.266   0.092  1.00 49.19           N  
+ATOM     38  CA  PHE A 892      -9.737 -19.177  -0.882  1.00 47.07           C  
+ATOM     39  C   PHE A 892      -8.380 -19.651  -0.339  1.00 52.74           C  
+ATOM     40  O   PHE A 892      -7.608 -18.823   0.145  1.00 53.11           O  
+ATOM     41  CB  PHE A 892      -9.548 -18.421  -2.218  1.00 45.10           C  
+ATOM     42  CG  PHE A 892     -10.811 -18.198  -3.035  1.00 44.18           C  
+ATOM     43  CD1 PHE A 892     -11.105 -19.046  -4.121  1.00 44.87           C  
+ATOM     44  CD2 PHE A 892     -11.759 -17.226  -2.652  1.00 45.07           C  
+ATOM     45  CE1 PHE A 892     -12.296 -18.906  -4.820  1.00 45.27           C  
+ATOM     46  CE2 PHE A 892     -12.948 -17.107  -3.359  1.00 46.87           C  
+ATOM     47  CZ  PHE A 892     -13.217 -17.942  -4.436  1.00 44.38           C  
+ATOM     48  H   PHE A 892      -9.787 -17.437   0.287  1.00 49.19           H  
+ATOM     49  HA  PHE A 892     -10.372 -20.049  -1.045  1.00 47.07           H  
+ATOM     50  HB3 PHE A 892      -8.823 -18.940  -2.848  1.00 45.10           H  
+ATOM     51  HB2 PHE A 892      -9.118 -17.442  -2.013  1.00 45.10           H  
+ATOM     52  HD1 PHE A 892     -10.397 -19.800  -4.420  1.00 44.87           H  
+ATOM     53  HD2 PHE A 892     -11.571 -16.579  -1.808  1.00 45.07           H  
+ATOM     54  HE1 PHE A 892     -12.510 -19.556  -5.656  1.00 45.27           H  
+ATOM     55  HE2 PHE A 892     -13.676 -16.372  -3.060  1.00 46.87           H  
+ATOM     56  HZ  PHE A 892     -14.150 -17.846  -4.972  1.00 44.38           H  
+ATOM     57  N   HIS A 893      -8.098 -20.960  -0.436  1.00 50.80           N  
+ATOM     58  CA  HIS A 893      -6.830 -21.547   0.015  1.00 51.86           C  
+ATOM     59  C   HIS A 893      -5.856 -21.663  -1.167  1.00 53.50           C  
+ATOM     60  O   HIS A 893      -6.231 -22.207  -2.207  1.00 52.26           O  
+ATOM     61  CB  HIS A 893      -7.080 -22.919   0.673  1.00 55.68           C  
+ATOM     62  CG  HIS A 893      -8.193 -22.952   1.693  1.00 61.81           C  
+ATOM     63  ND1 HIS A 893      -9.449 -23.503   1.418  1.00 65.50           N  
+ATOM     64  CD2 HIS A 893      -8.186 -22.487   2.991  1.00 65.19           C  
+ATOM     65  CE1 HIS A 893     -10.146 -23.337   2.535  1.00 67.02           C  
+ATOM     66  NE2 HIS A 893      -9.446 -22.742   3.502  1.00 67.16           N  
+ATOM     67  H   HIS A 893      -8.771 -21.595  -0.841  1.00 50.80           H  
+ATOM     68  HA  HIS A 893      -6.384 -20.905   0.779  1.00 51.86           H  
+ATOM     69  HB3 HIS A 893      -6.171 -23.240   1.179  1.00 55.68           H  
+ATOM     70  HB2 HIS A 893      -7.293 -23.672  -0.086  1.00 55.68           H  
+ATOM     71  HD2 HIS A 893      -7.414 -22.001   3.570  1.00 65.19           H  
+ATOM     72  HE1 HIS A 893     -11.172 -23.653   2.649  1.00 67.02           H  
+ATOM     73  HE2 HIS A 893      -9.778 -22.515   4.429  1.00 67.16           H  
+ATOM     74  N   LYS A 894      -4.617 -21.164  -0.991  1.00 50.22           N  
+ATOM     75  CA  LYS A 894      -3.605 -21.102  -2.056  1.00 49.02           C  
+ATOM     76  C   LYS A 894      -3.096 -22.481  -2.531  1.00 53.09           C  
+ATOM     77  O   LYS A 894      -2.652 -22.592  -3.673  1.00 51.68           O  
+ATOM     78  CB  LYS A 894      -2.446 -20.167  -1.639  1.00 52.12           C  
+ATOM     79  CG  LYS A 894      -1.602 -19.700  -2.842  1.00 67.25           C  
+ATOM     80  CD  LYS A 894      -0.572 -18.609  -2.519  1.00 79.06           C  
+ATOM     81  CE  LYS A 894       0.104 -18.102  -3.806  1.00 86.18           C  
+ATOM     82  NZ  LYS A 894       1.179 -17.133  -3.536  1.00 95.28           N1+
+ATOM     83  H   LYS A 894      -4.369 -20.732  -0.112  1.00 50.22           H  
+ATOM     84  HA  LYS A 894      -4.098 -20.647  -2.917  1.00 49.02           H  
+ATOM     85  HB3 LYS A 894      -1.817 -20.640  -0.883  1.00 52.12           H  
+ATOM     86  HB2 LYS A 894      -2.858 -19.278  -1.165  1.00 52.12           H  
+ATOM     87  HG3 LYS A 894      -2.270 -19.333  -3.622  1.00 67.25           H  
+ATOM     88  HG2 LYS A 894      -1.073 -20.550  -3.274  1.00 67.25           H  
+ATOM     89  HD3 LYS A 894       0.174 -19.011  -1.832  1.00 79.06           H  
+ATOM     90  HD2 LYS A 894      -1.059 -17.784  -1.996  1.00 79.06           H  
+ATOM     91  HE3 LYS A 894      -0.634 -17.630  -4.458  1.00 86.18           H  
+ATOM     92  HE2 LYS A 894       0.533 -18.936  -4.361  1.00 86.18           H  
+ATOM     93  HZ1 LYS A 894       1.904 -17.574  -2.991  1.00 95.28           H  
+ATOM     94  HZ2 LYS A 894       1.567 -16.797  -4.405  1.00 95.28           H  
+ATOM     95  HZ3 LYS A 894       0.817 -16.347  -3.008  1.00 95.28           H  
+ATOM     96  N   ARG A 895      -3.225 -23.513  -1.679  1.00 51.74           N  
+ATOM     97  CA  ARG A 895      -2.945 -24.923  -1.981  1.00 52.94           C  
+ATOM     98  C   ARG A 895      -3.830 -25.521  -3.100  1.00 55.31           C  
+ATOM     99  O   ARG A 895      -3.429 -26.518  -3.700  1.00 55.61           O  
+ATOM    100  CB  ARG A 895      -3.065 -25.740  -0.673  1.00 57.62           C  
+ATOM    101  CG  ARG A 895      -4.465 -25.710  -0.027  1.00 70.70           C  
+ATOM    102  CD  ARG A 895      -4.563 -26.513   1.278  1.00 85.20           C  
+ATOM    103  NE  ARG A 895      -5.852 -26.272   1.954  1.00 97.62           N  
+ATOM    104  CZ  ARG A 895      -6.489 -27.062   2.839  1.00116.87           C  
+ATOM    105  NH1 ARG A 895      -5.989 -28.241   3.242  1.00109.22           N  
+ATOM    106  NH2 ARG A 895      -7.664 -26.652   3.334  1.00103.80           N1+
+ATOM    107  H   ARG A 895      -3.600 -23.330  -0.759  1.00 51.74           H  
+ATOM    108  HA  ARG A 895      -1.910 -24.981  -2.324  1.00 52.94           H  
+ATOM    109  HB3 ARG A 895      -2.339 -25.356   0.045  1.00 57.62           H  
+ATOM    110  HB2 ARG A 895      -2.773 -26.775  -0.861  1.00 57.62           H  
+ATOM    111  HG3 ARG A 895      -5.144 -26.181  -0.737  1.00 70.70           H  
+ATOM    112  HG2 ARG A 895      -4.833 -24.694   0.101  1.00 70.70           H  
+ATOM    113  HD3 ARG A 895      -3.704 -26.359   1.932  1.00 85.20           H  
+ATOM    114  HD2 ARG A 895      -4.565 -27.568   1.003  1.00 85.20           H  
+ATOM    115  HE  ARG A 895      -6.304 -25.406   1.702  1.00 97.62           H  
+ATOM    116 HH12 ARG A 895      -6.492 -28.816   3.903  1.00109.22           H  
+ATOM    117 HH11 ARG A 895      -5.102 -28.562   2.882  1.00109.22           H  
+ATOM    118 HH22 ARG A 895      -8.172 -27.228   3.989  1.00103.80           H  
+ATOM    119 HH21 ARG A 895      -8.068 -25.776   3.034  1.00103.80           H  
+ATOM    120  N   TYR A 896      -5.001 -24.914  -3.356  1.00 49.98           N  
+ATOM    121  CA  TYR A 896      -5.957 -25.336  -4.380  1.00 49.28           C  
+ATOM    122  C   TYR A 896      -5.911 -24.458  -5.644  1.00 50.16           C  
+ATOM    123  O   TYR A 896      -6.506 -24.854  -6.645  1.00 48.17           O  
+ATOM    124  CB  TYR A 896      -7.373 -25.345  -3.772  1.00 51.36           C  
+ATOM    125  CG  TYR A 896      -7.594 -26.245  -2.564  1.00 55.87           C  
+ATOM    126  CD1 TYR A 896      -7.000 -27.525  -2.485  1.00 59.63           C  
+ATOM    127  CD2 TYR A 896      -8.450 -25.816  -1.527  1.00 57.59           C  
+ATOM    128  CE1 TYR A 896      -7.271 -28.369  -1.391  1.00 63.33           C  
+ATOM    129  CE2 TYR A 896      -8.715 -26.657  -0.430  1.00 61.39           C  
+ATOM    130  CZ  TYR A 896      -8.133 -27.937  -0.365  1.00 71.07           C  
+ATOM    131  OH  TYR A 896      -8.409 -28.761   0.686  1.00 74.22           O  
+ATOM    132  H   TYR A 896      -5.265 -24.098  -2.819  1.00 49.98           H  
+ATOM    133  HA  TYR A 896      -5.725 -26.346  -4.716  1.00 49.28           H  
+ATOM    134  HB3 TYR A 896      -8.104 -25.636  -4.527  1.00 51.36           H  
+ATOM    135  HB2 TYR A 896      -7.628 -24.327  -3.483  1.00 51.36           H  
+ATOM    136  HD1 TYR A 896      -6.355 -27.887  -3.271  1.00 59.63           H  
+ATOM    137  HD2 TYR A 896      -8.919 -24.844  -1.575  1.00 57.59           H  
+ATOM    138  HE1 TYR A 896      -6.824 -29.351  -1.350  1.00 63.33           H  
+ATOM    139  HE2 TYR A 896      -9.378 -26.321   0.355  1.00 61.39           H  
+ATOM    140  HH  TYR A 896      -8.011 -29.630   0.597  1.00 74.22           H  
+ATOM    141  N   LEU A 897      -5.203 -23.315  -5.600  1.00 46.72           N  
+ATOM    142  CA  LEU A 897      -5.006 -22.413  -6.735  1.00 44.74           C  
+ATOM    143  C   LEU A 897      -3.856 -22.916  -7.627  1.00 48.16           C  
+ATOM    144  O   LEU A 897      -2.690 -22.749  -7.267  1.00 48.59           O  
+ATOM    145  CB  LEU A 897      -4.717 -20.985  -6.204  1.00 44.20           C  
+ATOM    146  CG  LEU A 897      -5.926 -20.218  -5.624  1.00 48.88           C  
+ATOM    147  CD1 LEU A 897      -5.488 -18.975  -4.826  1.00 51.85           C  
+ATOM    148  CD2 LEU A 897      -6.961 -19.830  -6.699  1.00 47.58           C  
+ATOM    149  H   LEU A 897      -4.713 -23.068  -4.752  1.00 46.72           H  
+ATOM    150  HA  LEU A 897      -5.911 -22.397  -7.341  1.00 44.74           H  
+ATOM    151  HB3 LEU A 897      -4.298 -20.370  -6.995  1.00 44.20           H  
+ATOM    152  HB2 LEU A 897      -3.933 -21.049  -5.448  1.00 44.20           H  
+ATOM    153  HG  LEU A 897      -6.408 -20.885  -4.910  1.00 48.88           H  
+ATOM    154 HD11 LEU A 897      -5.824 -19.063  -3.794  1.00 51.85           H  
+ATOM    155 HD12 LEU A 897      -4.405 -18.849  -4.811  1.00 51.85           H  
+ATOM    156 HD13 LEU A 897      -5.912 -18.052  -5.222  1.00 51.85           H  
+ATOM    157 HD21 LEU A 897      -7.930 -19.630  -6.243  1.00 47.58           H  
+ATOM    158 HD22 LEU A 897      -6.662 -18.930  -7.236  1.00 47.58           H  
+ATOM    159 HD23 LEU A 897      -7.112 -20.606  -7.447  1.00 47.58           H  
+ATOM    160  N   LYS A 898      -4.212 -23.500  -8.785  1.00 44.15           N  
+ATOM    161  CA  LYS A 898      -3.281 -23.916  -9.836  1.00 44.11           C  
+ATOM    162  C   LYS A 898      -3.163 -22.788 -10.872  1.00 46.50           C  
+ATOM    163  O   LYS A 898      -4.150 -22.501 -11.547  1.00 45.72           O  
+ATOM    164  CB  LYS A 898      -3.795 -25.205 -10.520  1.00 48.28           C  
+ATOM    165  CG  LYS A 898      -3.567 -26.517  -9.747  1.00 70.59           C  
+ATOM    166  CD  LYS A 898      -4.431 -26.693  -8.488  1.00 82.83           C  
+ATOM    167  CE  LYS A 898      -4.401 -28.143  -7.978  1.00 97.68           C  
+ATOM    168  NZ  LYS A 898      -5.195 -28.319  -6.751  1.00107.26           N1+
+ATOM    169  H   LYS A 898      -5.194 -23.613  -9.002  1.00 44.15           H  
+ATOM    170  HA  LYS A 898      -2.295 -24.118  -9.411  1.00 44.11           H  
+ATOM    171  HB3 LYS A 898      -3.260 -25.323 -11.463  1.00 48.28           H  
+ATOM    172  HB2 LYS A 898      -4.846 -25.106 -10.796  1.00 48.28           H  
+ATOM    173  HG3 LYS A 898      -2.514 -26.604  -9.479  1.00 70.59           H  
+ATOM    174  HG2 LYS A 898      -3.768 -27.344 -10.428  1.00 70.59           H  
+ATOM    175  HD3 LYS A 898      -5.455 -26.383  -8.703  1.00 82.83           H  
+ATOM    176  HD2 LYS A 898      -4.062 -26.029  -7.706  1.00 82.83           H  
+ATOM    177  HE3 LYS A 898      -3.375 -28.449  -7.772  1.00 97.68           H  
+ATOM    178  HE2 LYS A 898      -4.793 -28.817  -8.740  1.00 97.68           H  
+ATOM    179  HZ1 LYS A 898      -4.831 -27.721  -6.023  1.00107.26           H  
+ATOM    180  HZ2 LYS A 898      -6.163 -28.083  -6.930  1.00107.26           H  
+ATOM    181  HZ3 LYS A 898      -5.142 -29.283  -6.452  1.00107.26           H  
+ATOM    182  N   LYS A 899      -1.976 -22.168 -10.979  1.00 42.86           N  
+ATOM    183  CA  LYS A 899      -1.715 -21.053 -11.896  1.00 42.35           C  
+ATOM    184  C   LYS A 899      -1.710 -21.509 -13.364  1.00 45.75           C  
+ATOM    185  O   LYS A 899      -1.010 -22.466 -13.695  1.00 46.24           O  
+ATOM    186  CB  LYS A 899      -0.384 -20.377 -11.511  1.00 45.46           C  
+ATOM    187  CG  LYS A 899      -0.120 -19.063 -12.268  1.00 54.73           C  
+ATOM    188  CD  LYS A 899       1.112 -18.321 -11.738  1.00 64.90           C  
+ATOM    189  CE  LYS A 899       1.421 -17.067 -12.567  1.00 74.92           C  
+ATOM    190  NZ  LYS A 899       2.592 -16.340 -12.049  1.00 84.51           N1+
+ATOM    191  H   LYS A 899      -1.202 -22.463 -10.401  1.00 42.86           H  
+ATOM    192  HA  LYS A 899      -2.513 -20.321 -11.766  1.00 42.35           H  
+ATOM    193  HB3 LYS A 899       0.447 -21.067 -11.662  1.00 45.46           H  
+ATOM    194  HB2 LYS A 899      -0.395 -20.160 -10.444  1.00 45.46           H  
+ATOM    195  HG3 LYS A 899      -0.994 -18.415 -12.191  1.00 54.73           H  
+ATOM    196  HG2 LYS A 899       0.016 -19.269 -13.331  1.00 54.73           H  
+ATOM    197  HD3 LYS A 899       1.971 -18.995 -11.744  1.00 64.90           H  
+ATOM    198  HD2 LYS A 899       0.940 -18.044 -10.697  1.00 64.90           H  
+ATOM    199  HE3 LYS A 899       0.565 -16.394 -12.569  1.00 74.92           H  
+ATOM    200  HE2 LYS A 899       1.613 -17.340 -13.606  1.00 74.92           H  
+ATOM    201  HZ1 LYS A 899       2.751 -15.539 -12.648  1.00 84.51           H  
+ATOM    202  HZ2 LYS A 899       2.412 -16.031 -11.105  1.00 84.51           H  
+ATOM    203  HZ3 LYS A 899       3.403 -16.940 -12.068  1.00 84.51           H  
+ATOM    204  N   ILE A 900      -2.476 -20.797 -14.206  1.00 41.32           N  
+ATOM    205  CA  ILE A 900      -2.608 -21.077 -15.635  1.00 41.22           C  
+ATOM    206  C   ILE A 900      -1.689 -20.144 -16.450  1.00 44.92           C  
+ATOM    207  O   ILE A 900      -0.922 -20.643 -17.273  1.00 45.41           O  
+ATOM    208  CB  ILE A 900      -4.082 -20.931 -16.132  1.00 44.36           C  
+ATOM    209  CG1 ILE A 900      -5.029 -21.869 -15.337  1.00 45.50           C  
+ATOM    210  CG2 ILE A 900      -4.227 -21.187 -17.653  1.00 46.17           C  
+ATOM    211  CD1 ILE A 900      -6.531 -21.662 -15.602  1.00 56.14           C  
+ATOM    212  H   ILE A 900      -3.013 -20.014 -13.855  1.00 41.32           H  
+ATOM    213  HA  ILE A 900      -2.297 -22.105 -15.838  1.00 41.22           H  
+ATOM    214  HB  ILE A 900      -4.402 -19.907 -15.938  1.00 44.36           H  
+ATOM    215 HG13 ILE A 900      -4.872 -21.741 -14.266  1.00 45.50           H  
+ATOM    216 HG12 ILE A 900      -4.767 -22.907 -15.547  1.00 45.50           H  
+ATOM    217 HG21 ILE A 900      -5.260 -21.102 -17.987  1.00 46.17           H  
+ATOM    218 HG22 ILE A 900      -3.658 -20.477 -18.251  1.00 46.17           H  
+ATOM    219 HG23 ILE A 900      -3.883 -22.188 -17.914  1.00 46.17           H  
+ATOM    220 HD11 ILE A 900      -6.987 -22.573 -15.990  1.00 56.14           H  
+ATOM    221 HD12 ILE A 900      -7.058 -21.398 -14.686  1.00 56.14           H  
+ATOM    222 HD13 ILE A 900      -6.727 -20.869 -16.318  1.00 56.14           H  
+ATOM    223  N   ARG A 901      -1.770 -18.823 -16.201  1.00 40.97           N  
+ATOM    224  CA  ARG A 901      -0.997 -17.788 -16.897  1.00 41.13           C  
+ATOM    225  C   ARG A 901      -1.152 -16.429 -16.196  1.00 44.46           C  
+ATOM    226  O   ARG A 901      -2.030 -16.267 -15.350  1.00 43.07           O  
+ATOM    227  CB  ARG A 901      -1.414 -17.690 -18.392  1.00 41.29           C  
+ATOM    228  CG  ARG A 901      -2.892 -17.331 -18.653  1.00 52.38           C  
+ATOM    229  CD  ARG A 901      -3.183 -17.150 -20.152  1.00 59.92           C  
+ATOM    230  NE  ARG A 901      -4.626 -17.046 -20.437  1.00 68.07           N  
+ATOM    231  CZ  ARG A 901      -5.470 -18.055 -20.730  1.00 83.41           C  
+ATOM    232  NH1 ARG A 901      -5.062 -19.332 -20.802  1.00 64.57           N  
+ATOM    233  NH2 ARG A 901      -6.759 -17.778 -20.957  1.00 77.22           N1+
+ATOM    234  H   ARG A 901      -2.406 -18.486 -15.491  1.00 40.97           H  
+ATOM    235  HA  ARG A 901       0.058 -18.063 -16.841  1.00 41.13           H  
+ATOM    236  HB3 ARG A 901      -1.193 -18.632 -18.895  1.00 41.29           H  
+ATOM    237  HB2 ARG A 901      -0.781 -16.955 -18.891  1.00 41.29           H  
+ATOM    238  HG3 ARG A 901      -3.068 -16.366 -18.177  1.00 52.38           H  
+ATOM    239  HG2 ARG A 901      -3.588 -18.026 -18.181  1.00 52.38           H  
+ATOM    240  HD3 ARG A 901      -2.657 -17.869 -20.781  1.00 59.92           H  
+ATOM    241  HD2 ARG A 901      -2.800 -16.171 -20.443  1.00 59.92           H  
+ATOM    242  HE  ARG A 901      -5.007 -16.113 -20.378  1.00 68.07           H  
+ATOM    243 HH12 ARG A 901      -5.713 -20.071 -21.028  1.00 64.57           H  
+ATOM    244 HH11 ARG A 901      -4.092 -19.560 -20.641  1.00 64.57           H  
+ATOM    245 HH22 ARG A 901      -7.410 -18.517 -21.182  1.00 77.22           H  
+ATOM    246 HH21 ARG A 901      -7.102 -16.830 -20.895  1.00 77.22           H  
+ATOM    247  N   ASP A 902      -0.323 -15.460 -16.614  1.00 41.92           N  
+ATOM    248  CA  ASP A 902      -0.462 -14.037 -16.281  1.00 41.86           C  
+ATOM    249  C   ASP A 902      -1.530 -13.384 -17.180  1.00 43.46           C  
+ATOM    250  O   ASP A 902      -1.645 -13.762 -18.347  1.00 42.68           O  
+ATOM    251  CB  ASP A 902       0.874 -13.259 -16.416  1.00 46.10           C  
+ATOM    252  CG  ASP A 902       2.078 -13.818 -15.635  1.00 63.12           C  
+ATOM    253  OD1 ASP A 902       1.870 -14.513 -14.616  1.00 62.46           O  
+ATOM    254  OD2 ASP A 902       3.210 -13.412 -15.974  1.00 75.36           O1-
+ATOM    255  H   ASP A 902       0.377 -15.674 -17.309  1.00 41.92           H  
+ATOM    256  HA  ASP A 902      -0.792 -13.955 -15.244  1.00 41.86           H  
+ATOM    257  HB3 ASP A 902       0.727 -12.230 -16.084  1.00 46.10           H  
+ATOM    258  HB2 ASP A 902       1.158 -13.213 -17.470  1.00 46.10           H  
+ATOM    259  N   LEU A 903      -2.266 -12.402 -16.629  1.00 39.42           N  
+ATOM    260  CA  LEU A 903      -3.266 -11.612 -17.361  1.00 38.97           C  
+ATOM    261  C   LEU A 903      -2.800 -10.167 -17.624  1.00 45.51           C  
+ATOM    262  O   LEU A 903      -3.368  -9.532 -18.512  1.00 47.25           O  
+ATOM    263  CB  LEU A 903      -4.613 -11.610 -16.597  1.00 37.74           C  
+ATOM    264  CG  LEU A 903      -5.292 -12.992 -16.453  1.00 40.14           C  
+ATOM    265  CD1 LEU A 903      -6.584 -12.885 -15.612  1.00 39.42           C  
+ATOM    266  CD2 LEU A 903      -5.538 -13.684 -17.813  1.00 39.39           C  
+ATOM    267  H   LEU A 903      -2.118 -12.145 -15.662  1.00 39.42           H  
+ATOM    268  HA  LEU A 903      -3.431 -12.042 -18.349  1.00 38.97           H  
+ATOM    269  HB3 LEU A 903      -5.312 -10.940 -17.101  1.00 37.74           H  
+ATOM    270  HB2 LEU A 903      -4.456 -11.182 -15.606  1.00 37.74           H  
+ATOM    271  HG  LEU A 903      -4.607 -13.628 -15.894  1.00 40.14           H  
+ATOM    272 HD11 LEU A 903      -7.469 -13.233 -16.144  1.00 39.42           H  
+ATOM    273 HD12 LEU A 903      -6.505 -13.478 -14.700  1.00 39.42           H  
+ATOM    274 HD13 LEU A 903      -6.792 -11.858 -15.309  1.00 39.42           H  
+ATOM    275 HD21 LEU A 903      -6.518 -14.157 -17.878  1.00 39.39           H  
+ATOM    276 HD22 LEU A 903      -5.473 -12.985 -18.647  1.00 39.39           H  
+ATOM    277 HD23 LEU A 903      -4.799 -14.467 -17.983  1.00 39.39           H  
+ATOM    278  N   GLY A 904      -1.787  -9.678 -16.888  1.00 41.87           N  
+ATOM    279  CA  GLY A 904      -1.233  -8.334 -17.056  1.00 43.49           C  
+ATOM    280  C   GLY A 904      -1.001  -7.676 -15.691  1.00 48.38           C  
+ATOM    281  O   GLY A 904      -1.021  -8.337 -14.652  1.00 47.59           O  
+ATOM    282  H   GLY A 904      -1.378 -10.247 -16.161  1.00 41.87           H  
+ATOM    283  HA3 GLY A 904      -1.885  -7.692 -17.651  1.00 43.49           H  
+ATOM    284  HA2 GLY A 904      -0.281  -8.408 -17.583  1.00 43.49           H  
+ATOM    285  N   GLU A 905      -0.748  -6.357 -15.725  1.00 46.73           N  
+ATOM    286  CA  GLU A 905      -0.417  -5.525 -14.569  1.00 47.46           C  
+ATOM    287  C   GLU A 905      -1.531  -4.504 -14.307  1.00 51.67           C  
+ATOM    288  O   GLU A 905      -1.864  -3.725 -15.201  1.00 51.35           O  
+ATOM    289  CB  GLU A 905       0.924  -4.797 -14.829  1.00 51.27           C  
+ATOM    290  CG  GLU A 905       2.147  -5.728 -15.015  1.00 66.56           C  
+ATOM    291  CD  GLU A 905       2.576  -6.521 -13.768  1.00 94.70           C  
+ATOM    292  OE1 GLU A 905       2.400  -6.007 -12.640  1.00 96.75           O  
+ATOM    293  OE2 GLU A 905       3.095  -7.642 -13.966  1.00 86.75           O1-
+ATOM    294  H   GLU A 905      -0.750  -5.878 -16.614  1.00 46.73           H  
+ATOM    295  HA  GLU A 905      -0.307  -6.137 -13.676  1.00 47.46           H  
+ATOM    296  HB3 GLU A 905       1.120  -4.082 -14.028  1.00 51.27           H  
+ATOM    297  HB2 GLU A 905       0.830  -4.187 -15.730  1.00 51.27           H  
+ATOM    298  HG3 GLU A 905       3.002  -5.122 -15.318  1.00 66.56           H  
+ATOM    299  HG2 GLU A 905       1.966  -6.414 -15.843  1.00 66.56           H  
+ATOM    300  N   GLY A 906      -2.041  -4.499 -13.065  1.00 48.81           N  
+ATOM    301  CA  GLY A 906      -2.899  -3.442 -12.530  1.00 50.44           C  
+ATOM    302  C   GLY A 906      -2.031  -2.432 -11.760  1.00 59.13           C  
+ATOM    303  O   GLY A 906      -0.800  -2.482 -11.823  1.00 59.62           O  
+ATOM    304  H   GLY A 906      -1.692  -5.168 -12.392  1.00 48.81           H  
+ATOM    305  HA3 GLY A 906      -3.633  -3.889 -11.863  1.00 50.44           H  
+ATOM    306  HA2 GLY A 906      -3.454  -2.930 -13.318  1.00 50.44           H  
+ATOM    307  N   HIS A 907      -2.680  -1.495 -11.046  1.00 58.87           N  
+ATOM    308  CA  HIS A 907      -2.017  -0.393 -10.336  1.00 61.58           C  
+ATOM    309  C   HIS A 907      -1.029  -0.832  -9.231  1.00 65.75           C  
+ATOM    310  O   HIS A 907       0.142  -0.460  -9.310  1.00 67.01           O  
+ATOM    311  CB  HIS A 907      -3.060   0.621  -9.823  1.00 64.07           C  
+ATOM    312  CG  HIS A 907      -2.450   1.857  -9.203  1.00 71.10           C  
+ATOM    313  ND1 HIS A 907      -2.397   2.065  -7.835  1.00 74.01           N  
+ATOM    314  CD2 HIS A 907      -1.835   2.954  -9.768  1.00 75.68           C  
+ATOM    315  CE1 HIS A 907      -1.760   3.221  -7.637  1.00 76.67           C  
+ATOM    316  NE2 HIS A 907      -1.387   3.815  -8.764  1.00 78.22           N  
+ATOM    317  H   HIS A 907      -3.690  -1.460 -11.073  1.00 58.87           H  
+ATOM    318  HA  HIS A 907      -1.423   0.130 -11.089  1.00 61.58           H  
+ATOM    319  HB3 HIS A 907      -3.718   0.147  -9.095  1.00 64.07           H  
+ATOM    320  HB2 HIS A 907      -3.699   0.944 -10.646  1.00 64.07           H  
+ATOM    321  HD1 HIS A 907      -2.772   1.461  -7.117  1.00 74.01           H  
+ATOM    322  HD2 HIS A 907      -1.663   3.181 -10.810  1.00 75.68           H  
+ATOM    323  HE1 HIS A 907      -1.572   3.635  -6.657  1.00 76.67           H  
+ATOM    324  N   PHE A 908      -1.502  -1.601  -8.232  1.00 61.05           N  
+ATOM    325  CA  PHE A 908      -0.677  -2.051  -7.099  1.00 61.65           C  
+ATOM    326  C   PHE A 908       0.155  -3.319  -7.361  1.00 63.63           C  
+ATOM    327  O   PHE A 908       1.046  -3.610  -6.561  1.00 65.29           O  
+ATOM    328  CB  PHE A 908      -1.545  -2.204  -5.832  1.00 63.30           C  
+ATOM    329  CG  PHE A 908      -2.048  -0.890  -5.260  1.00 67.27           C  
+ATOM    330  CD1 PHE A 908      -1.140   0.100  -4.825  1.00 73.63           C  
+ATOM    331  CD2 PHE A 908      -3.431  -0.640  -5.165  1.00 68.80           C  
+ATOM    332  CE1 PHE A 908      -1.613   1.313  -4.343  1.00 76.93           C  
+ATOM    333  CE2 PHE A 908      -3.882   0.569  -4.660  1.00 73.69           C  
+ATOM    334  CZ  PHE A 908      -2.979   1.549  -4.269  1.00 75.01           C  
+ATOM    335  H   PHE A 908      -2.476  -1.862  -8.213  1.00 61.05           H  
+ATOM    336  HA  PHE A 908       0.064  -1.278  -6.891  1.00 61.65           H  
+ATOM    337  HB3 PHE A 908      -0.987  -2.705  -5.039  1.00 63.30           H  
+ATOM    338  HB2 PHE A 908      -2.395  -2.852  -6.049  1.00 63.30           H  
+ATOM    339  HD1 PHE A 908      -0.076  -0.078  -4.876  1.00 73.63           H  
+ATOM    340  HD2 PHE A 908      -4.144  -1.385  -5.476  1.00 68.80           H  
+ATOM    341  HE1 PHE A 908      -0.920   2.076  -4.024  1.00 76.93           H  
+ATOM    342  HE2 PHE A 908      -4.943   0.751  -4.574  1.00 73.69           H  
+ATOM    343  HZ  PHE A 908      -3.344   2.494  -3.896  1.00 75.01           H  
+ATOM    344  N   GLY A 909      -0.116  -4.035  -8.462  1.00 56.05           N  
+ATOM    345  CA  GLY A 909       0.645  -5.223  -8.825  1.00 53.59           C  
+ATOM    346  C   GLY A 909      -0.134  -6.075  -9.830  1.00 52.99           C  
+ATOM    347  O   GLY A 909      -1.183  -5.682 -10.345  1.00 51.95           O  
+ATOM    348  H   GLY A 909      -0.845  -3.743  -9.098  1.00 56.05           H  
+ATOM    349  HA3 GLY A 909       0.880  -5.822  -7.944  1.00 53.59           H  
+ATOM    350  HA2 GLY A 909       1.591  -4.918  -9.275  1.00 53.59           H  
+ATOM    351  N   LYS A 910       0.447  -7.247 -10.121  1.00 47.39           N  
+ATOM    352  CA  LYS A 910       0.039  -8.182 -11.165  1.00 44.86           C  
+ATOM    353  C   LYS A 910      -1.304  -8.882 -10.911  1.00 43.37           C  
+ATOM    354  O   LYS A 910      -1.657  -9.145  -9.763  1.00 42.02           O  
+ATOM    355  CB  LYS A 910       1.171  -9.209 -11.373  1.00 48.19           C  
+ATOM    356  CG  LYS A 910       1.460 -10.142 -10.177  1.00 70.18           C  
+ATOM    357  CD  LYS A 910       2.694 -11.050 -10.350  1.00 80.07           C  
+ATOM    358  CE  LYS A 910       2.503 -12.257 -11.291  1.00 90.27           C  
+ATOM    359  NZ  LYS A 910       2.526 -11.895 -12.719  1.00 99.37           N1+
+ATOM    360  H   LYS A 910       1.303  -7.491  -9.643  1.00 47.39           H  
+ATOM    361  HA  LYS A 910      -0.056  -7.608 -12.085  1.00 44.86           H  
+ATOM    362  HB3 LYS A 910       2.086  -8.677 -11.629  1.00 48.19           H  
+ATOM    363  HB2 LYS A 910       0.912  -9.801 -12.249  1.00 48.19           H  
+ATOM    364  HG3 LYS A 910       0.592 -10.765  -9.968  1.00 70.18           H  
+ATOM    365  HG2 LYS A 910       1.608  -9.538  -9.281  1.00 70.18           H  
+ATOM    366  HD3 LYS A 910       2.978 -11.424  -9.366  1.00 80.07           H  
+ATOM    367  HD2 LYS A 910       3.543 -10.449 -10.681  1.00 80.07           H  
+ATOM    368  HE3 LYS A 910       1.575 -12.778 -11.056  1.00 90.27           H  
+ATOM    369  HE2 LYS A 910       3.311 -12.971 -11.128  1.00 90.27           H  
+ATOM    370  HZ1 LYS A 910       1.779 -11.245 -12.918  1.00 99.37           H  
+ATOM    371  HZ2 LYS A 910       3.409 -11.462 -12.952  1.00 99.37           H  
+ATOM    372  HZ3 LYS A 910       2.402 -12.723 -13.289  1.00 99.37           H  
+ATOM    373  N   VAL A 911      -1.976  -9.222 -12.020  1.00 37.15           N  
+ATOM    374  CA  VAL A 911      -3.146 -10.094 -12.073  1.00 34.94           C  
+ATOM    375  C   VAL A 911      -2.741 -11.369 -12.833  1.00 36.97           C  
+ATOM    376  O   VAL A 911      -2.039 -11.284 -13.843  1.00 35.74           O  
+ATOM    377  CB  VAL A 911      -4.326  -9.439 -12.846  1.00 38.64           C  
+ATOM    378  CG1 VAL A 911      -5.610 -10.298 -12.853  1.00 37.50           C  
+ATOM    379  CG2 VAL A 911      -4.666  -8.035 -12.316  1.00 39.45           C  
+ATOM    380  H   VAL A 911      -1.599  -8.959 -12.923  1.00 37.15           H  
+ATOM    381  HA  VAL A 911      -3.475 -10.371 -11.075  1.00 34.94           H  
+ATOM    382  HB  VAL A 911      -4.013  -9.321 -13.882  1.00 38.64           H  
+ATOM    383 HG11 VAL A 911      -6.415  -9.793 -13.387  1.00 37.50           H  
+ATOM    384 HG12 VAL A 911      -5.465 -11.260 -13.341  1.00 37.50           H  
+ATOM    385 HG13 VAL A 911      -5.959 -10.492 -11.838  1.00 37.50           H  
+ATOM    386 HG21 VAL A 911      -5.488  -7.590 -12.876  1.00 39.45           H  
+ATOM    387 HG22 VAL A 911      -4.969  -8.077 -11.273  1.00 39.45           H  
+ATOM    388 HG23 VAL A 911      -3.821  -7.349 -12.396  1.00 39.45           H  
+ATOM    389  N   SER A 912      -3.196 -12.524 -12.329  1.00 32.82           N  
+ATOM    390  CA  SER A 912      -2.925 -13.835 -12.909  1.00 32.44           C  
+ATOM    391  C   SER A 912      -4.190 -14.691 -12.861  1.00 36.01           C  
+ATOM    392  O   SER A 912      -4.954 -14.614 -11.900  1.00 34.87           O  
+ATOM    393  CB  SER A 912      -1.784 -14.519 -12.135  1.00 36.04           C  
+ATOM    394  OG  SER A 912      -0.553 -13.876 -12.384  1.00 45.71           O  
+ATOM    395  H   SER A 912      -3.773 -12.521 -11.497  1.00 32.82           H  
+ATOM    396  HA  SER A 912      -2.647 -13.734 -13.959  1.00 32.44           H  
+ATOM    397  HB3 SER A 912      -1.687 -15.565 -12.429  1.00 36.04           H  
+ATOM    398  HB2 SER A 912      -1.976 -14.501 -11.065  1.00 36.04           H  
+ATOM    399  HG  SER A 912      -0.598 -13.000 -11.991  1.00 45.71           H  
+ATOM    400  N   LEU A 913      -4.360 -15.519 -13.898  1.00 32.94           N  
+ATOM    401  CA  LEU A 913      -5.422 -16.506 -14.014  1.00 32.73           C  
+ATOM    402  C   LEU A 913      -5.004 -17.796 -13.293  1.00 36.98           C  
+ATOM    403  O   LEU A 913      -3.925 -18.324 -13.563  1.00 35.71           O  
+ATOM    404  CB  LEU A 913      -5.709 -16.726 -15.515  1.00 33.31           C  
+ATOM    405  CG  LEU A 913      -6.771 -17.793 -15.855  1.00 38.67           C  
+ATOM    406  CD1 LEU A 913      -8.126 -17.523 -15.167  1.00 39.26           C  
+ATOM    407  CD2 LEU A 913      -6.898 -17.945 -17.386  1.00 40.96           C  
+ATOM    408  H   LEU A 913      -3.651 -15.557 -14.619  1.00 32.94           H  
+ATOM    409  HA  LEU A 913      -6.320 -16.103 -13.544  1.00 32.73           H  
+ATOM    410  HB3 LEU A 913      -4.776 -16.992 -16.017  1.00 33.31           H  
+ATOM    411  HB2 LEU A 913      -6.022 -15.779 -15.950  1.00 33.31           H  
+ATOM    412  HG  LEU A 913      -6.413 -18.749 -15.478  1.00 38.67           H  
+ATOM    413 HD11 LEU A 913      -8.971 -17.674 -15.835  1.00 39.26           H  
+ATOM    414 HD12 LEU A 913      -8.272 -18.197 -14.323  1.00 39.26           H  
+ATOM    415 HD13 LEU A 913      -8.204 -16.504 -14.788  1.00 39.26           H  
+ATOM    416 HD21 LEU A 913      -6.660 -18.961 -17.701  1.00 40.96           H  
+ATOM    417 HD22 LEU A 913      -7.896 -17.718 -17.755  1.00 40.96           H  
+ATOM    418 HD23 LEU A 913      -6.215 -17.281 -17.916  1.00 40.96           H  
+ATOM    419  N   TYR A 914      -5.890 -18.272 -12.410  1.00 34.34           N  
+ATOM    420  CA  TYR A 914      -5.764 -19.523 -11.671  1.00 35.26           C  
+ATOM    421  C   TYR A 914      -7.038 -20.353 -11.860  1.00 40.97           C  
+ATOM    422  O   TYR A 914      -8.125 -19.791 -11.988  1.00 41.41           O  
+ATOM    423  CB  TYR A 914      -5.587 -19.229 -10.166  1.00 36.25           C  
+ATOM    424  CG  TYR A 914      -4.259 -18.631  -9.738  1.00 37.55           C  
+ATOM    425  CD1 TYR A 914      -3.251 -19.459  -9.208  1.00 41.10           C  
+ATOM    426  CD2 TYR A 914      -4.047 -17.241  -9.803  1.00 37.73           C  
+ATOM    427  CE1 TYR A 914      -2.054 -18.906  -8.719  1.00 42.72           C  
+ATOM    428  CE2 TYR A 914      -2.846 -16.684  -9.320  1.00 39.24           C  
+ATOM    429  CZ  TYR A 914      -1.847 -17.516  -8.780  1.00 49.59           C  
+ATOM    430  OH  TYR A 914      -0.685 -16.975  -8.313  1.00 54.45           O  
+ATOM    431  H   TYR A 914      -6.753 -17.765 -12.252  1.00 34.34           H  
+ATOM    432  HA  TYR A 914      -4.912 -20.095 -12.038  1.00 35.26           H  
+ATOM    433  HB3 TYR A 914      -5.706 -20.157  -9.602  1.00 36.25           H  
+ATOM    434  HB2 TYR A 914      -6.387 -18.577  -9.815  1.00 36.25           H  
+ATOM    435  HD1 TYR A 914      -3.404 -20.524  -9.148  1.00 41.10           H  
+ATOM    436  HD2 TYR A 914      -4.818 -16.599 -10.201  1.00 37.73           H  
+ATOM    437  HE1 TYR A 914      -1.299 -19.554  -8.298  1.00 42.72           H  
+ATOM    438  HE2 TYR A 914      -2.702 -15.615  -9.342  1.00 39.24           H  
+ATOM    439  HH  TYR A 914      -0.088 -17.630  -7.946  1.00 54.45           H  
+ATOM    440  N   CYS A 915      -6.876 -21.681 -11.795  1.00 39.05           N  
+ATOM    441  CA  CYS A 915      -7.955 -22.650 -11.657  1.00 40.20           C  
+ATOM    442  C   CYS A 915      -8.001 -23.056 -10.175  1.00 43.77           C  
+ATOM    443  O   CYS A 915      -7.104 -23.766  -9.717  1.00 43.29           O  
+ATOM    444  CB  CYS A 915      -7.744 -23.856 -12.599  1.00 41.99           C  
+ATOM    445  SG  CYS A 915      -9.063 -25.096 -12.442  1.00 48.59           S  
+ATOM    446  H   CYS A 915      -5.940 -22.055 -11.694  1.00 39.05           H  
+ATOM    447  HA  CYS A 915      -8.909 -22.193 -11.926  1.00 40.20           H  
+ATOM    448  HB3 CYS A 915      -6.787 -24.341 -12.400  1.00 41.99           H  
+ATOM    449  HB2 CYS A 915      -7.716 -23.523 -13.636  1.00 41.99           H  
+ATOM    450  HG  CYS A 915     -10.044 -24.339 -12.945  1.00 48.59           H  
+ATOM    451  N   TYR A 916      -9.028 -22.577  -9.453  1.00 39.62           N  
+ATOM    452  CA  TYR A 916      -9.291 -22.957  -8.067  1.00 39.96           C  
+ATOM    453  C   TYR A 916      -9.987 -24.321  -8.049  1.00 45.20           C  
+ATOM    454  O   TYR A 916     -11.145 -24.408  -8.455  1.00 45.42           O  
+ATOM    455  CB  TYR A 916     -10.137 -21.882  -7.363  1.00 40.18           C  
+ATOM    456  CG  TYR A 916     -10.347 -22.156  -5.882  1.00 41.11           C  
+ATOM    457  CD1 TYR A 916      -9.242 -22.127  -5.008  1.00 41.72           C  
+ATOM    458  CD2 TYR A 916     -11.630 -22.444  -5.369  1.00 43.06           C  
+ATOM    459  CE1 TYR A 916      -9.423 -22.327  -3.628  1.00 42.69           C  
+ATOM    460  CE2 TYR A 916     -11.806 -22.668  -3.988  1.00 44.62           C  
+ATOM    461  CZ  TYR A 916     -10.702 -22.598  -3.115  1.00 47.56           C  
+ATOM    462  OH  TYR A 916     -10.859 -22.789  -1.773  1.00 49.11           O  
+ATOM    463  H   TYR A 916      -9.739 -22.015  -9.905  1.00 39.62           H  
+ATOM    464  HA  TYR A 916      -8.337 -23.031  -7.542  1.00 39.96           H  
+ATOM    465  HB3 TYR A 916     -11.104 -21.770  -7.858  1.00 40.18           H  
+ATOM    466  HB2 TYR A 916      -9.648 -20.913  -7.453  1.00 40.18           H  
+ATOM    467  HD1 TYR A 916      -8.255 -21.941  -5.395  1.00 41.72           H  
+ATOM    468  HD2 TYR A 916     -12.482 -22.486  -6.031  1.00 43.06           H  
+ATOM    469  HE1 TYR A 916      -8.578 -22.276  -2.962  1.00 42.69           H  
+ATOM    470  HE2 TYR A 916     -12.792 -22.881  -3.603  1.00 44.62           H  
+ATOM    471  HH  TYR A 916     -11.770 -22.950  -1.517  1.00 49.11           H  
+ATOM    472  N   ASP A 917      -9.247 -25.349  -7.615  1.00 46.60           N  
+ATOM    473  CA  ASP A 917      -9.568 -26.748  -7.872  1.00 48.33           C  
+ATOM    474  C   ASP A 917      -9.324 -27.594  -6.600  1.00 54.57           C  
+ATOM    475  O   ASP A 917      -8.292 -28.263  -6.524  1.00 54.85           O  
+ATOM    476  CB  ASP A 917      -8.737 -27.204  -9.102  1.00 50.11           C  
+ATOM    477  CG  ASP A 917      -8.952 -28.624  -9.637  1.00 62.07           C  
+ATOM    478  OD1 ASP A 917     -10.073 -29.159  -9.492  1.00 63.23           O  
+ATOM    479  OD2 ASP A 917      -8.017 -29.097 -10.318  1.00 69.60           O1-
+ATOM    480  H   ASP A 917      -8.308 -25.173  -7.279  1.00 46.60           H  
+ATOM    481  HA  ASP A 917     -10.624 -26.849  -8.125  1.00 48.33           H  
+ATOM    482  HB3 ASP A 917      -7.678 -27.054  -8.891  1.00 50.11           H  
+ATOM    483  HB2 ASP A 917      -8.947 -26.523  -9.926  1.00 50.11           H  
+ATOM    484  N   PRO A 918     -10.245 -27.540  -5.604  1.00 52.47           N  
+ATOM    485  CA  PRO A 918     -10.099 -28.303  -4.347  1.00 54.47           C  
+ATOM    486  C   PRO A 918     -10.105 -29.837  -4.474  1.00 61.35           C  
+ATOM    487  O   PRO A 918      -9.384 -30.493  -3.723  1.00 62.40           O  
+ATOM    488  CB  PRO A 918     -11.247 -27.801  -3.453  1.00 56.45           C  
+ATOM    489  CG  PRO A 918     -11.627 -26.452  -4.035  1.00 58.90           C  
+ATOM    490  CD  PRO A 918     -11.414 -26.661  -5.527  1.00 53.43           C  
+ATOM    491  HA  PRO A 918      -9.153 -28.002  -3.907  1.00 54.47           H  
+ATOM    492  HB3 PRO A 918     -10.960 -27.730  -2.403  1.00 56.45           H  
+ATOM    493  HB2 PRO A 918     -12.107 -28.470  -3.514  1.00 56.45           H  
+ATOM    494  HG3 PRO A 918     -10.934 -25.691  -3.673  1.00 58.90           H  
+ATOM    495  HG2 PRO A 918     -12.639 -26.137  -3.781  1.00 58.90           H  
+ATOM    496  HD2 PRO A 918     -12.269 -27.172  -5.971  1.00 53.43           H  
+ATOM    497  HD3 PRO A 918     -11.302 -25.700  -6.020  1.00 53.43           H  
+ATOM    498  N   THR A 919     -10.908 -30.371  -5.409  1.00 59.02           N  
+ATOM    499  CA  THR A 919     -11.065 -31.811  -5.644  1.00 61.06           C  
+ATOM    500  C   THR A 919      -9.980 -32.404  -6.577  1.00 66.39           C  
+ATOM    501  O   THR A 919      -9.856 -33.628  -6.623  1.00 67.71           O  
+ATOM    502  CB  THR A 919     -12.455 -32.117  -6.260  1.00 69.24           C  
+ATOM    503  OG1 THR A 919     -12.587 -31.517  -7.529  1.00 68.64           O  
+ATOM    504  CG2 THR A 919     -13.631 -31.649  -5.388  1.00 68.24           C  
+ATOM    505  H   THR A 919     -11.469 -29.770  -5.995  1.00 59.02           H  
+ATOM    506  HA  THR A 919     -10.996 -32.335  -4.689  1.00 61.06           H  
+ATOM    507  HB  THR A 919     -12.555 -33.194  -6.402  1.00 69.24           H  
+ATOM    508  HG1 THR A 919     -13.273 -31.975  -8.026  1.00 68.64           H  
+ATOM    509 HG21 THR A 919     -14.585 -31.933  -5.834  1.00 68.24           H  
+ATOM    510 HG22 THR A 919     -13.586 -32.099  -4.396  1.00 68.24           H  
+ATOM    511 HG23 THR A 919     -13.638 -30.566  -5.263  1.00 68.24           H  
+ATOM    512  N   ASN A 920      -9.199 -31.547  -7.263  1.00 62.42           N  
+ATOM    513  CA  ASN A 920      -8.037 -31.889  -8.098  1.00 62.48           C  
+ATOM    514  C   ASN A 920      -8.379 -32.622  -9.421  1.00 68.30           C  
+ATOM    515  O   ASN A 920      -7.482 -33.228 -10.010  1.00 68.75           O  
+ATOM    516  CB  ASN A 920      -6.959 -32.651  -7.265  1.00 64.50           C  
+ATOM    517  CG  ASN A 920      -5.482 -32.368  -7.596  1.00 90.28           C  
+ATOM    518  OD1 ASN A 920      -4.607 -32.746  -6.820  1.00 80.74           O  
+ATOM    519  ND2 ASN A 920      -5.168 -31.727  -8.725  1.00 86.67           N  
+ATOM    520  H   ASN A 920      -9.392 -30.558  -7.185  1.00 62.42           H  
+ATOM    521  HA  ASN A 920      -7.612 -30.949  -8.439  1.00 62.48           H  
+ATOM    522  HB3 ASN A 920      -7.142 -33.726  -7.268  1.00 64.50           H  
+ATOM    523  HB2 ASN A 920      -7.055 -32.344  -6.223  1.00 64.50           H  
+ATOM    524 HD22 ASN A 920      -4.200 -31.566  -8.962  1.00 86.67           H  
+ATOM    525 HD21 ASN A 920      -5.889 -31.458  -9.381  1.00 86.67           H  
+ATOM    526  N   ASP A 921      -9.639 -32.549  -9.886  1.00 65.11           N  
+ATOM    527  CA  ASP A 921     -10.110 -33.208 -11.117  1.00 65.45           C  
+ATOM    528  C   ASP A 921      -9.983 -32.327 -12.382  1.00 68.10           C  
+ATOM    529  O   ASP A 921     -10.139 -32.854 -13.484  1.00 68.54           O  
+ATOM    530  CB  ASP A 921     -11.543 -33.795 -10.974  1.00 68.72           C  
+ATOM    531  CG  ASP A 921     -12.665 -32.865 -10.474  1.00 75.04           C  
+ATOM    532  OD1 ASP A 921     -12.514 -31.626 -10.552  1.00 72.94           O  
+ATOM    533  OD2 ASP A 921     -13.723 -33.416 -10.100  1.00 81.22           O1-
+ATOM    534  H   ASP A 921     -10.329 -32.006  -9.382  1.00 65.11           H  
+ATOM    535  HA  ASP A 921      -9.466 -34.068 -11.303  1.00 65.45           H  
+ATOM    536  HB3 ASP A 921     -11.487 -34.634 -10.278  1.00 68.72           H  
+ATOM    537  HB2 ASP A 921     -11.863 -34.230 -11.922  1.00 68.72           H  
+ATOM    538  N   GLY A 922      -9.707 -31.023 -12.215  1.00 62.38           N  
+ATOM    539  CA  GLY A 922      -9.545 -30.058 -13.304  1.00 60.09           C  
+ATOM    540  C   GLY A 922     -10.856 -29.341 -13.671  1.00 63.42           C  
+ATOM    541  O   GLY A 922     -10.825 -28.489 -14.558  1.00 62.74           O  
+ATOM    542  H   GLY A 922      -9.595 -30.661 -11.276  1.00 62.38           H  
+ATOM    543  HA3 GLY A 922      -9.136 -30.537 -14.195  1.00 60.09           H  
+ATOM    544  HA2 GLY A 922      -8.818 -29.307 -12.996  1.00 60.09           H  
+ATOM    545  N   THR A 923     -11.987 -29.652 -13.010  1.00 59.47           N  
+ATOM    546  CA  THR A 923     -13.299 -29.033 -13.254  1.00 58.79           C  
+ATOM    547  C   THR A 923     -13.546 -27.762 -12.400  1.00 58.95           C  
+ATOM    548  O   THR A 923     -14.641 -27.202 -12.468  1.00 58.00           O  
+ATOM    549  CB  THR A 923     -14.468 -30.043 -13.042  1.00 71.45           C  
+ATOM    550  OG1 THR A 923     -14.839 -30.230 -11.688  1.00 74.26           O  
+ATOM    551  CG2 THR A 923     -14.243 -31.407 -13.717  1.00 71.82           C  
+ATOM    552  H   THR A 923     -11.959 -30.349 -12.276  1.00 59.47           H  
+ATOM    553  HA  THR A 923     -13.346 -28.712 -14.296  1.00 58.79           H  
+ATOM    554  HB  THR A 923     -15.350 -29.613 -13.519  1.00 71.45           H  
+ATOM    555  HG1 THR A 923     -14.137 -30.721 -11.242  1.00 74.26           H  
+ATOM    556 HG21 THR A 923     -15.116 -32.050 -13.599  1.00 71.82           H  
+ATOM    557 HG22 THR A 923     -14.062 -31.288 -14.785  1.00 71.82           H  
+ATOM    558 HG23 THR A 923     -13.389 -31.937 -13.295  1.00 71.82           H  
+ATOM    559  N   GLY A 924     -12.527 -27.319 -11.642  1.00 53.95           N  
+ATOM    560  CA  GLY A 924     -12.552 -26.143 -10.772  1.00 52.08           C  
+ATOM    561  C   GLY A 924     -12.757 -24.826 -11.542  1.00 53.45           C  
+ATOM    562  O   GLY A 924     -12.444 -24.726 -12.730  1.00 52.18           O  
+ATOM    563  H   GLY A 924     -11.664 -27.845 -11.653  1.00 53.95           H  
+ATOM    564  HA3 GLY A 924     -11.591 -26.106 -10.264  1.00 52.08           H  
+ATOM    565  HA2 GLY A 924     -13.322 -26.265 -10.009  1.00 52.08           H  
+ATOM    566  N   GLU A 925     -13.268 -23.806 -10.832  1.00 49.00           N  
+ATOM    567  CA  GLU A 925     -13.573 -22.475 -11.360  1.00 47.60           C  
+ATOM    568  C   GLU A 925     -12.317 -21.670 -11.724  1.00 48.02           C  
+ATOM    569  O   GLU A 925     -11.376 -21.610 -10.931  1.00 45.98           O  
+ATOM    570  CB  GLU A 925     -14.413 -21.693 -10.324  1.00 49.51           C  
+ATOM    571  CG  GLU A 925     -15.824 -22.271 -10.073  1.00 66.63           C  
+ATOM    572  CD  GLU A 925     -16.772 -22.136 -11.273  1.00 94.52           C  
+ATOM    573  OE1 GLU A 925     -16.947 -20.990 -11.747  1.00 89.72           O  
+ATOM    574  OE2 GLU A 925     -17.317 -23.179 -11.694  1.00 93.17           O1-
+ATOM    575  H   GLU A 925     -13.474 -23.948  -9.854  1.00 49.00           H  
+ATOM    576  HA  GLU A 925     -14.163 -22.607 -12.270  1.00 47.60           H  
+ATOM    577  HB3 GLU A 925     -14.488 -20.643 -10.615  1.00 49.51           H  
+ATOM    578  HB2 GLU A 925     -13.879 -21.684  -9.372  1.00 49.51           H  
+ATOM    579  HG3 GLU A 925     -16.278 -21.747  -9.232  1.00 66.63           H  
+ATOM    580  HG2 GLU A 925     -15.750 -23.315  -9.764  1.00 66.63           H  
+ATOM    581  N   MET A 926     -12.367 -21.015 -12.895  1.00 43.85           N  
+ATOM    582  CA  MET A 926     -11.372 -20.046 -13.346  1.00 42.46           C  
+ATOM    583  C   MET A 926     -11.612 -18.699 -12.645  1.00 43.50           C  
+ATOM    584  O   MET A 926     -12.732 -18.187 -12.673  1.00 43.72           O  
+ATOM    585  CB  MET A 926     -11.438 -19.902 -14.881  1.00 44.66           C  
+ATOM    586  CG  MET A 926     -11.094 -21.201 -15.631  1.00 50.18           C  
+ATOM    587  SD  MET A 926     -11.216 -21.102 -17.439  1.00 55.18           S  
+ATOM    588  CE  MET A 926      -9.741 -20.125 -17.822  1.00 50.66           C  
+ATOM    589  H   MET A 926     -13.198 -21.090 -13.467  1.00 43.85           H  
+ATOM    590  HA  MET A 926     -10.380 -20.417 -13.087  1.00 42.46           H  
+ATOM    591  HB3 MET A 926     -10.750 -19.118 -15.194  1.00 44.66           H  
+ATOM    592  HB2 MET A 926     -12.431 -19.564 -15.182  1.00 44.66           H  
+ATOM    593  HG3 MET A 926     -11.765 -22.000 -15.315  1.00 50.18           H  
+ATOM    594  HG2 MET A 926     -10.087 -21.528 -15.370  1.00 50.18           H  
+ATOM    595  HE1 MET A 926      -9.633 -20.010 -18.900  1.00 50.66           H  
+ATOM    596  HE2 MET A 926      -9.821 -19.135 -17.380  1.00 50.66           H  
+ATOM    597  HE3 MET A 926      -8.847 -20.612 -17.434  1.00 50.66           H  
+ATOM    598  N   VAL A 927     -10.552 -18.164 -12.023  1.00 36.95           N  
+ATOM    599  CA  VAL A 927     -10.572 -16.924 -11.250  1.00 34.96           C  
+ATOM    600  C   VAL A 927      -9.333 -16.073 -11.577  1.00 36.30           C  
+ATOM    601  O   VAL A 927      -8.234 -16.609 -11.722  1.00 35.86           O  
+ATOM    602  CB  VAL A 927     -10.612 -17.193  -9.714  1.00 39.31           C  
+ATOM    603  CG1 VAL A 927     -11.995 -17.684  -9.256  1.00 40.52           C  
+ATOM    604  CG2 VAL A 927      -9.509 -18.133  -9.184  1.00 39.38           C  
+ATOM    605  H   VAL A 927      -9.664 -18.650 -12.044  1.00 36.95           H  
+ATOM    606  HA  VAL A 927     -11.451 -16.336 -11.525  1.00 34.96           H  
+ATOM    607  HB  VAL A 927     -10.460 -16.235  -9.215  1.00 39.31           H  
+ATOM    608 HG11 VAL A 927     -12.040 -17.774  -8.170  1.00 40.52           H  
+ATOM    609 HG12 VAL A 927     -12.773 -16.984  -9.558  1.00 40.52           H  
+ATOM    610 HG13 VAL A 927     -12.237 -18.659  -9.680  1.00 40.52           H  
+ATOM    611 HG21 VAL A 927      -9.589 -18.254  -8.103  1.00 39.38           H  
+ATOM    612 HG22 VAL A 927      -9.578 -19.126  -9.628  1.00 39.38           H  
+ATOM    613 HG23 VAL A 927      -8.512 -17.747  -9.385  1.00 39.38           H  
+ATOM    614  N   ALA A 928      -9.549 -14.753 -11.672  1.00 33.12           N  
+ATOM    615  CA  ALA A 928      -8.508 -13.748 -11.859  1.00 33.29           C  
+ATOM    616  C   ALA A 928      -8.089 -13.215 -10.483  1.00 37.02           C  
+ATOM    617  O   ALA A 928      -8.824 -12.433  -9.881  1.00 37.68           O  
+ATOM    618  CB  ALA A 928      -9.055 -12.630 -12.757  1.00 33.26           C  
+ATOM    619  H   ALA A 928     -10.480 -14.392 -11.510  1.00 33.12           H  
+ATOM    620  HA  ALA A 928      -7.642 -14.185 -12.359  1.00 33.29           H  
+ATOM    621  HB1 ALA A 928      -8.318 -11.839 -12.899  1.00 33.26           H  
+ATOM    622  HB2 ALA A 928      -9.309 -13.020 -13.743  1.00 33.26           H  
+ATOM    623  HB3 ALA A 928      -9.955 -12.176 -12.339  1.00 33.26           H  
+ATOM    624  N   VAL A 929      -6.929 -13.679 -10.001  1.00 32.01           N  
+ATOM    625  CA  VAL A 929      -6.386 -13.327  -8.695  1.00 31.43           C  
+ATOM    626  C   VAL A 929      -5.339 -12.217  -8.878  1.00 34.06           C  
+ATOM    627  O   VAL A 929      -4.323 -12.441  -9.538  1.00 33.04           O  
+ATOM    628  CB  VAL A 929      -5.699 -14.544  -8.016  1.00 35.67           C  
+ATOM    629  CG1 VAL A 929      -5.129 -14.224  -6.622  1.00 35.66           C  
+ATOM    630  CG2 VAL A 929      -6.645 -15.752  -7.913  1.00 35.86           C  
+ATOM    631  H   VAL A 929      -6.362 -14.298 -10.567  1.00 32.01           H  
+ATOM    632  HA  VAL A 929      -7.179 -12.973  -8.036  1.00 31.43           H  
+ATOM    633  HB  VAL A 929      -4.859 -14.852  -8.635  1.00 35.67           H  
+ATOM    634 HG11 VAL A 929      -4.713 -15.115  -6.149  1.00 35.66           H  
+ATOM    635 HG12 VAL A 929      -4.326 -13.488  -6.662  1.00 35.66           H  
+ATOM    636 HG13 VAL A 929      -5.911 -13.837  -5.969  1.00 35.66           H  
+ATOM    637 HG21 VAL A 929      -6.163 -16.588  -7.406  1.00 35.86           H  
+ATOM    638 HG22 VAL A 929      -7.547 -15.499  -7.359  1.00 35.86           H  
+ATOM    639 HG23 VAL A 929      -6.946 -16.107  -8.899  1.00 35.86           H  
+ATOM    640  N   LYS A 930      -5.609 -11.051  -8.274  1.00 30.97           N  
+ATOM    641  CA  LYS A 930      -4.688  -9.921  -8.225  1.00 30.96           C  
+ATOM    642  C   LYS A 930      -3.874  -9.971  -6.926  1.00 37.68           C  
+ATOM    643  O   LYS A 930      -4.422 -10.306  -5.877  1.00 36.55           O  
+ATOM    644  CB  LYS A 930      -5.484  -8.615  -8.399  1.00 33.16           C  
+ATOM    645  CG  LYS A 930      -4.604  -7.361  -8.542  1.00 48.15           C  
+ATOM    646  CD  LYS A 930      -5.426  -6.117  -8.901  1.00 51.77           C  
+ATOM    647  CE  LYS A 930      -4.540  -4.880  -9.101  1.00 60.76           C  
+ATOM    648  NZ  LYS A 930      -5.340  -3.711  -9.495  1.00 63.79           N1+
+ATOM    649  H   LYS A 930      -6.464 -10.952  -7.739  1.00 30.97           H  
+ATOM    650  HA  LYS A 930      -3.992  -9.988  -9.055  1.00 30.96           H  
+ATOM    651  HB3 LYS A 930      -6.195  -8.485  -7.583  1.00 33.16           H  
+ATOM    652  HB2 LYS A 930      -6.086  -8.707  -9.303  1.00 33.16           H  
+ATOM    653  HG3 LYS A 930      -3.851  -7.530  -9.312  1.00 48.15           H  
+ATOM    654  HG2 LYS A 930      -4.047  -7.177  -7.625  1.00 48.15           H  
+ATOM    655  HD3 LYS A 930      -6.159  -5.930  -8.114  1.00 51.77           H  
+ATOM    656  HD2 LYS A 930      -5.999  -6.315  -9.809  1.00 51.77           H  
+ATOM    657  HE3 LYS A 930      -3.797  -5.073  -9.874  1.00 60.76           H  
+ATOM    658  HE2 LYS A 930      -3.997  -4.643  -8.187  1.00 60.76           H  
+ATOM    659  HZ1 LYS A 930      -6.018  -3.510  -8.767  1.00 63.79           H  
+ATOM    660  HZ2 LYS A 930      -4.749  -2.903  -9.619  1.00 63.79           H  
+ATOM    661  HZ3 LYS A 930      -5.834  -3.899 -10.355  1.00 63.79           H  
+ATOM    662  N   ALA A 931      -2.581  -9.634  -7.031  1.00 37.96           N  
+ATOM    663  CA  ALA A 931      -1.625  -9.678  -5.932  1.00 40.37           C  
+ATOM    664  C   ALA A 931      -0.833  -8.370  -5.858  1.00 49.88           C  
+ATOM    665  O   ALA A 931      -0.457  -7.813  -6.888  1.00 48.28           O  
+ATOM    666  CB  ALA A 931      -0.679 -10.871  -6.147  1.00 41.64           C  
+ATOM    667  H   ALA A 931      -2.209  -9.343  -7.927  1.00 37.96           H  
+ATOM    668  HA  ALA A 931      -2.148  -9.815  -4.984  1.00 40.37           H  
+ATOM    669  HB1 ALA A 931       0.013 -10.978  -5.311  1.00 41.64           H  
+ATOM    670  HB2 ALA A 931      -1.236 -11.805  -6.230  1.00 41.64           H  
+ATOM    671  HB3 ALA A 931      -0.088 -10.756  -7.057  1.00 41.64           H  
+ATOM    672  N   LEU A 932      -0.556  -7.951  -4.616  1.00 51.32           N  
+ATOM    673  CA  LEU A 932       0.359  -6.873  -4.254  1.00 53.72           C  
+ATOM    674  C   LEU A 932       1.772  -7.461  -4.132  1.00 62.30           C  
+ATOM    675  O   LEU A 932       1.943  -8.491  -3.477  1.00 63.20           O  
+ATOM    676  CB  LEU A 932      -0.193  -6.236  -2.954  1.00 54.88           C  
+ATOM    677  CG  LEU A 932       0.655  -5.229  -2.141  1.00 61.02           C  
+ATOM    678  CD1 LEU A 932       1.599  -5.901  -1.126  1.00 63.21           C  
+ATOM    679  CD2 LEU A 932       1.335  -4.156  -3.008  1.00 63.43           C  
+ATOM    680  H   LEU A 932      -0.891  -8.505  -3.837  1.00 51.32           H  
+ATOM    681  HA  LEU A 932       0.356  -6.116  -5.041  1.00 53.72           H  
+ATOM    682  HB3 LEU A 932      -0.532  -7.018  -2.272  1.00 54.88           H  
+ATOM    683  HB2 LEU A 932      -1.093  -5.711  -3.263  1.00 54.88           H  
+ATOM    684  HG  LEU A 932      -0.067  -4.683  -1.532  1.00 61.02           H  
+ATOM    685 HD11 LEU A 932       2.597  -5.468  -1.140  1.00 63.21           H  
+ATOM    686 HD12 LEU A 932       1.219  -5.782  -0.112  1.00 63.21           H  
+ATOM    687 HD13 LEU A 932       1.702  -6.973  -1.292  1.00 63.21           H  
+ATOM    688 HD21 LEU A 932       1.353  -3.194  -2.496  1.00 63.43           H  
+ATOM    689 HD22 LEU A 932       2.361  -4.427  -3.248  1.00 63.43           H  
+ATOM    690 HD23 LEU A 932       0.808  -4.010  -3.950  1.00 63.43           H  
+ATOM    691  N   LYS A 933       2.749  -6.804  -4.780  1.00 61.35           N  
+ATOM    692  CA  LYS A 933       4.152  -7.228  -4.813  1.00 63.52           C  
+ATOM    693  C   LYS A 933       4.799  -7.207  -3.412  1.00 70.14           C  
+ATOM    694  O   LYS A 933       4.523  -6.302  -2.626  1.00 70.50           O  
+ATOM    695  CB  LYS A 933       4.919  -6.364  -5.842  1.00 66.45           C  
+ATOM    696  CG  LYS A 933       5.125  -4.889  -5.450  1.00 83.56           C  
+ATOM    697  CD  LYS A 933       5.907  -4.086  -6.495  1.00 96.14           C  
+ATOM    698  CE  LYS A 933       6.270  -2.681  -5.983  1.00107.75           C  
+ATOM    699  NZ  LYS A 933       7.223  -2.004  -6.878  1.00116.59           N1+
+ATOM    700  H   LYS A 933       2.527  -5.963  -5.293  1.00 61.35           H  
+ATOM    701  HA  LYS A 933       4.165  -8.259  -5.173  1.00 63.52           H  
+ATOM    702  HB3 LYS A 933       4.416  -6.421  -6.809  1.00 66.45           H  
+ATOM    703  HB2 LYS A 933       5.901  -6.813  -5.996  1.00 66.45           H  
+ATOM    704  HG3 LYS A 933       5.681  -4.841  -4.514  1.00 83.56           H  
+ATOM    705  HG2 LYS A 933       4.160  -4.412  -5.271  1.00 83.56           H  
+ATOM    706  HD3 LYS A 933       5.308  -4.002  -7.403  1.00 96.14           H  
+ATOM    707  HD2 LYS A 933       6.806  -4.636  -6.774  1.00 96.14           H  
+ATOM    708  HE3 LYS A 933       6.732  -2.747  -4.998  1.00107.75           H  
+ATOM    709  HE2 LYS A 933       5.373  -2.071  -5.876  1.00107.75           H  
+ATOM    710  HZ1 LYS A 933       8.072  -2.553  -6.918  1.00116.59           H  
+ATOM    711  HZ2 LYS A 933       6.828  -1.921  -7.804  1.00116.59           H  
+ATOM    712  HZ3 LYS A 933       7.438  -1.086  -6.515  1.00116.59           H  
+ATOM    713  N   ALA A 934       5.650  -8.207  -3.131  1.00 68.33           N  
+ATOM    714  CA  ALA A 934       6.300  -8.404  -1.829  1.00 69.84           C  
+ATOM    715  C   ALA A 934       7.272  -7.283  -1.413  1.00 75.29           C  
+ATOM    716  O   ALA A 934       7.441  -7.058  -0.215  1.00 75.68           O  
+ATOM    717  CB  ALA A 934       7.018  -9.762  -1.833  1.00 71.23           C  
+ATOM    718  H   ALA A 934       5.839  -8.910  -3.830  1.00 68.33           H  
+ATOM    719  HA  ALA A 934       5.515  -8.438  -1.074  1.00 69.84           H  
+ATOM    720  HB1 ALA A 934       7.459  -9.979  -0.859  1.00 71.23           H  
+ATOM    721  HB2 ALA A 934       6.328 -10.573  -2.064  1.00 71.23           H  
+ATOM    722  HB3 ALA A 934       7.819  -9.788  -2.573  1.00 71.23           H  
+ATOM    723  N   ASP A 935       7.872  -6.600  -2.401  1.00 72.17           N  
+ATOM    724  CA  ASP A 935       8.845  -5.516  -2.229  1.00 73.50           C  
+ATOM    725  C   ASP A 935       8.194  -4.134  -1.982  1.00 75.83           C  
+ATOM    726  O   ASP A 935       8.931  -3.176  -1.750  1.00 76.32           O  
+ATOM    727  CB  ASP A 935       9.855  -5.455  -3.408  1.00 76.23           C  
+ATOM    728  CG  ASP A 935       9.244  -5.309  -4.813  1.00 89.05           C  
+ATOM    729  OD1 ASP A 935       8.651  -6.297  -5.302  1.00 88.80           O  
+ATOM    730  OD2 ASP A 935       9.280  -4.172  -5.334  1.00 97.21           O1-
+ATOM    731  H   ASP A 935       7.682  -6.853  -3.362  1.00 72.17           H  
+ATOM    732  HA  ASP A 935       9.427  -5.736  -1.333  1.00 73.50           H  
+ATOM    733  HB3 ASP A 935      10.428  -6.384  -3.408  1.00 76.23           H  
+ATOM    734  HB2 ASP A 935      10.598  -4.674  -3.236  1.00 76.23           H  
+ATOM    735  N   ALA A 936       6.852  -4.040  -2.036  1.00 70.25           N  
+ATOM    736  CA  ALA A 936       6.085  -2.806  -1.843  1.00 69.55           C  
+ATOM    737  C   ALA A 936       6.243  -2.189  -0.444  1.00 73.05           C  
+ATOM    738  O   ALA A 936       6.304  -2.919   0.546  1.00 73.05           O  
+ATOM    739  CB  ALA A 936       4.605  -3.099  -2.103  1.00 68.72           C  
+ATOM    740  H   ALA A 936       6.310  -4.873  -2.220  1.00 70.25           H  
+ATOM    741  HA  ALA A 936       6.430  -2.083  -2.585  1.00 69.55           H  
+ATOM    742  HB1 ALA A 936       3.987  -2.220  -1.936  1.00 68.72           H  
+ATOM    743  HB2 ALA A 936       4.443  -3.413  -3.131  1.00 68.72           H  
+ATOM    744  HB3 ALA A 936       4.235  -3.882  -1.442  1.00 68.72           H  
+ATOM    745  N   GLY A 937       6.260  -0.847  -0.403  1.00 68.94           N  
+ATOM    746  CA  GLY A 937       6.331  -0.059   0.826  1.00 69.45           C  
+ATOM    747  C   GLY A 937       4.930   0.139   1.439  1.00 71.44           C  
+ATOM    748  O   GLY A 937       3.929  -0.267   0.843  1.00 69.33           O  
+ATOM    749  H   GLY A 937       6.184  -0.331  -1.268  1.00 68.94           H  
+ATOM    750  HA3 GLY A 937       6.768   0.910   0.590  1.00 69.45           H  
+ATOM    751  HA2 GLY A 937       6.991  -0.542   1.549  1.00 69.45           H  
+ATOM    752  N   PRO A 938       4.845   0.770   2.632  1.00 68.74           N  
+ATOM    753  CA  PRO A 938       3.587   0.922   3.393  1.00 68.21           C  
+ATOM    754  C   PRO A 938       2.499   1.780   2.719  1.00 71.10           C  
+ATOM    755  O   PRO A 938       1.319   1.548   2.980  1.00 70.04           O  
+ATOM    756  CB  PRO A 938       4.044   1.513   4.737  1.00 71.88           C  
+ATOM    757  CG  PRO A 938       5.339   2.242   4.417  1.00 77.34           C  
+ATOM    758  CD  PRO A 938       5.975   1.354   3.354  1.00 72.04           C  
+ATOM    759  HA  PRO A 938       3.161  -0.066   3.572  1.00 68.21           H  
+ATOM    760  HB3 PRO A 938       4.246   0.701   5.437  1.00 71.88           H  
+ATOM    761  HB2 PRO A 938       3.306   2.167   5.206  1.00 71.88           H  
+ATOM    762  HG3 PRO A 938       5.977   2.400   5.287  1.00 77.34           H  
+ATOM    763  HG2 PRO A 938       5.110   3.218   3.986  1.00 77.34           H  
+ATOM    764  HD2 PRO A 938       6.645   1.932   2.716  1.00 72.04           H  
+ATOM    765  HD3 PRO A 938       6.549   0.551   3.819  1.00 72.04           H  
+ATOM    766  N   GLN A 939       2.903   2.720   1.847  1.00 67.61           N  
+ATOM    767  CA  GLN A 939       2.019   3.561   1.038  1.00 66.36           C  
+ATOM    768  C   GLN A 939       1.195   2.765   0.005  1.00 68.88           C  
+ATOM    769  O   GLN A 939       0.014   3.062  -0.170  1.00 67.37           O  
+ATOM    770  CB  GLN A 939       2.815   4.726   0.393  1.00 68.30           C  
+ATOM    771  CG  GLN A 939       3.851   4.385  -0.711  1.00 77.62           C  
+ATOM    772  CD  GLN A 939       5.119   3.670  -0.226  1.00 79.26           C  
+ATOM    773  OE1 GLN A 939       5.527   3.807   0.925  1.00 70.91           O  
+ATOM    774  NE2 GLN A 939       5.766   2.917  -1.116  1.00 67.19           N  
+ATOM    775  H   GLN A 939       3.893   2.869   1.705  1.00 67.61           H  
+ATOM    776  HA  GLN A 939       1.304   4.014   1.728  1.00 66.36           H  
+ATOM    777  HB3 GLN A 939       3.296   5.310   1.179  1.00 68.30           H  
+ATOM    778  HB2 GLN A 939       2.091   5.410  -0.052  1.00 68.30           H  
+ATOM    779  HG3 GLN A 939       4.179   5.317  -1.173  1.00 77.62           H  
+ATOM    780  HG2 GLN A 939       3.387   3.812  -1.514  1.00 77.62           H  
+ATOM    781 HE22 GLN A 939       6.628   2.460  -0.859  1.00 67.19           H  
+ATOM    782 HE21 GLN A 939       5.402   2.798  -2.052  1.00 67.19           H  
+ATOM    783  N   HIS A 940       1.817   1.751  -0.623  1.00 64.95           N  
+ATOM    784  CA  HIS A 940       1.162   0.847  -1.570  1.00 63.06           C  
+ATOM    785  C   HIS A 940       0.321  -0.234  -0.874  1.00 62.55           C  
+ATOM    786  O   HIS A 940      -0.685  -0.649  -1.442  1.00 60.85           O  
+ATOM    787  CB  HIS A 940       2.209   0.197  -2.492  1.00 64.66           C  
+ATOM    788  CG  HIS A 940       2.900   1.139  -3.446  1.00 69.42           C  
+ATOM    789  ND1 HIS A 940       4.277   1.379  -3.400  1.00 71.01           N  
+ATOM    790  CD2 HIS A 940       2.356   1.870  -4.481  1.00 73.12           C  
+ATOM    791  CE1 HIS A 940       4.507   2.230  -4.392  1.00 71.34           C  
+ATOM    792  NE2 HIS A 940       3.404   2.558  -5.065  1.00 72.94           N  
+ATOM    793  H   HIS A 940       2.784   1.551  -0.412  1.00 64.95           H  
+ATOM    794  HA  HIS A 940       0.479   1.428  -2.192  1.00 63.06           H  
+ATOM    795  HB3 HIS A 940       1.751  -0.593  -3.090  1.00 64.66           H  
+ATOM    796  HB2 HIS A 940       2.971  -0.282  -1.879  1.00 64.66           H  
+ATOM    797  HD2 HIS A 940       1.342   1.954  -4.844  1.00 73.12           H  
+ATOM    798  HE1 HIS A 940       5.487   2.619  -4.630  1.00 71.34           H  
+ATOM    799  HE2 HIS A 940       3.347   3.185  -5.856  1.00 72.94           H  
+ATOM    800  N   ARG A 941       0.732  -0.659   0.333  1.00 57.11           N  
+ATOM    801  CA  ARG A 941       0.034  -1.659   1.146  1.00 55.94           C  
+ATOM    802  C   ARG A 941      -1.263  -1.121   1.771  1.00 58.15           C  
+ATOM    803  O   ARG A 941      -2.238  -1.867   1.836  1.00 56.90           O  
+ATOM    804  CB  ARG A 941       0.981  -2.187   2.237  1.00 56.27           C  
+ATOM    805  CG  ARG A 941       2.137  -3.027   1.674  1.00 60.46           C  
+ATOM    806  CD  ARG A 941       3.199  -3.354   2.732  1.00 68.18           C  
+ATOM    807  NE  ARG A 941       4.149  -4.361   2.238  1.00 73.45           N  
+ATOM    808  CZ  ARG A 941       4.008  -5.697   2.297  1.00 81.37           C  
+ATOM    809  NH1 ARG A 941       2.956  -6.282   2.891  1.00 62.04           N  
+ATOM    810  NH2 ARG A 941       4.946  -6.471   1.739  1.00 66.65           N1+
+ATOM    811  H   ARG A 941       1.580  -0.276   0.726  1.00 57.11           H  
+ATOM    812  HA  ARG A 941      -0.238  -2.497   0.500  1.00 55.94           H  
+ATOM    813  HB3 ARG A 941       0.424  -2.817   2.932  1.00 56.27           H  
+ATOM    814  HB2 ARG A 941       1.367  -1.356   2.827  1.00 56.27           H  
+ATOM    815  HG3 ARG A 941       2.620  -2.431   0.902  1.00 60.46           H  
+ATOM    816  HG2 ARG A 941       1.778  -3.920   1.164  1.00 60.46           H  
+ATOM    817  HD3 ARG A 941       2.776  -3.581   3.711  1.00 68.18           H  
+ATOM    818  HD2 ARG A 941       3.816  -2.466   2.872  1.00 68.18           H  
+ATOM    819  HE  ARG A 941       4.953  -3.990   1.745  1.00 73.45           H  
+ATOM    820 HH12 ARG A 941       2.887  -7.292   2.919  1.00 62.04           H  
+ATOM    821 HH11 ARG A 941       2.241  -5.720   3.327  1.00 62.04           H  
+ATOM    822 HH22 ARG A 941       4.851  -7.477   1.775  1.00 66.65           H  
+ATOM    823 HH21 ARG A 941       5.749  -6.068   1.274  1.00 66.65           H  
+ATOM    824  N   SER A 942      -1.262   0.153   2.201  1.00 54.55           N  
+ATOM    825  CA  SER A 942      -2.440   0.844   2.733  1.00 53.96           C  
+ATOM    826  C   SER A 942      -3.493   1.160   1.652  1.00 53.99           C  
+ATOM    827  O   SER A 942      -4.686   1.093   1.946  1.00 53.04           O  
+ATOM    828  CB  SER A 942      -1.995   2.093   3.524  1.00 59.58           C  
+ATOM    829  OG  SER A 942      -1.468   3.111   2.696  1.00 72.10           O  
+ATOM    830  H   SER A 942      -0.413   0.698   2.142  1.00 54.55           H  
+ATOM    831  HA  SER A 942      -2.912   0.168   3.449  1.00 53.96           H  
+ATOM    832  HB3 SER A 942      -1.251   1.825   4.275  1.00 59.58           H  
+ATOM    833  HB2 SER A 942      -2.846   2.508   4.066  1.00 59.58           H  
+ATOM    834  HG  SER A 942      -0.574   2.867   2.441  1.00 72.10           H  
+ATOM    835  N   GLY A 943      -3.037   1.449   0.420  1.00 48.43           N  
+ATOM    836  CA  GLY A 943      -3.903   1.679  -0.734  1.00 46.49           C  
+ATOM    837  C   GLY A 943      -4.426   0.355  -1.311  1.00 48.75           C  
+ATOM    838  O   GLY A 943      -5.539   0.329  -1.834  1.00 47.89           O  
+ATOM    839  H   GLY A 943      -2.040   1.497   0.262  1.00 48.43           H  
+ATOM    840  HA3 GLY A 943      -3.328   2.200  -1.498  1.00 46.49           H  
+ATOM    841  HA2 GLY A 943      -4.739   2.327  -0.465  1.00 46.49           H  
+ATOM    842  N   TRP A 944      -3.649  -0.738  -1.204  1.00 44.46           N  
+ATOM    843  CA  TRP A 944      -4.034  -2.085  -1.626  1.00 42.89           C  
+ATOM    844  C   TRP A 944      -5.178  -2.677  -0.789  1.00 46.22           C  
+ATOM    845  O   TRP A 944      -6.101  -3.253  -1.364  1.00 45.15           O  
+ATOM    846  CB  TRP A 944      -2.800  -3.006  -1.640  1.00 42.12           C  
+ATOM    847  CG  TRP A 944      -3.082  -4.464  -1.833  1.00 42.65           C  
+ATOM    848  CD1 TRP A 944      -2.880  -5.436  -0.915  1.00 46.33           C  
+ATOM    849  CD2 TRP A 944      -3.685  -5.118  -2.988  1.00 41.21           C  
+ATOM    850  NE1 TRP A 944      -3.277  -6.647  -1.438  1.00 45.34           N  
+ATOM    851  CE2 TRP A 944      -3.781  -6.514  -2.714  1.00 45.67           C  
+ATOM    852  CE3 TRP A 944      -4.164  -4.673  -4.242  1.00 41.70           C  
+ATOM    853  CZ2 TRP A 944      -4.300  -7.428  -3.645  1.00 44.10           C  
+ATOM    854  CZ3 TRP A 944      -4.694  -5.579  -5.179  1.00 42.27           C  
+ATOM    855  CH2 TRP A 944      -4.752  -6.953  -4.886  1.00 43.10           C  
+ATOM    856  H   TRP A 944      -2.725  -0.649  -0.804  1.00 44.46           H  
+ATOM    857  HA  TRP A 944      -4.406  -2.021  -2.650  1.00 42.89           H  
+ATOM    858  HB3 TRP A 944      -2.249  -2.899  -0.706  1.00 42.12           H  
+ATOM    859  HB2 TRP A 944      -2.119  -2.692  -2.432  1.00 42.12           H  
+ATOM    860  HD1 TRP A 944      -2.462  -5.275   0.068  1.00 46.33           H  
+ATOM    861  HE1 TRP A 944      -3.218  -7.522  -0.932  1.00 45.34           H  
+ATOM    862  HE3 TRP A 944      -4.124  -3.622  -4.485  1.00 41.70           H  
+ATOM    863  HZ2 TRP A 944      -4.349  -8.480  -3.412  1.00 44.10           H  
+ATOM    864  HZ3 TRP A 944      -5.056  -5.218  -6.128  1.00 42.27           H  
+ATOM    865  HH2 TRP A 944      -5.143  -7.642  -5.614  1.00 43.10           H  
+ATOM    866  N   LYS A 945      -5.112  -2.490   0.541  1.00 43.92           N  
+ATOM    867  CA  LYS A 945      -6.197  -2.824   1.465  1.00 44.34           C  
+ATOM    868  C   LYS A 945      -7.481  -2.043   1.153  1.00 46.56           C  
+ATOM    869  O   LYS A 945      -8.560  -2.622   1.241  1.00 45.36           O  
+ATOM    870  CB  LYS A 945      -5.756  -2.571   2.918  1.00 49.05           C  
+ATOM    871  CG  LYS A 945      -4.731  -3.590   3.439  1.00 67.10           C  
+ATOM    872  CD  LYS A 945      -4.307  -3.287   4.888  1.00 82.17           C  
+ATOM    873  CE  LYS A 945      -3.211  -4.220   5.430  1.00 95.75           C  
+ATOM    874  NZ  LYS A 945      -1.898  -3.958   4.812  1.00106.63           N1+
+ATOM    875  H   LYS A 945      -4.311  -2.021   0.940  1.00 43.92           H  
+ATOM    876  HA  LYS A 945      -6.419  -3.887   1.346  1.00 44.34           H  
+ATOM    877  HB3 LYS A 945      -6.628  -2.620   3.573  1.00 49.05           H  
+ATOM    878  HB2 LYS A 945      -5.363  -1.557   3.015  1.00 49.05           H  
+ATOM    879  HG3 LYS A 945      -3.864  -3.609   2.782  1.00 67.10           H  
+ATOM    880  HG2 LYS A 945      -5.163  -4.591   3.392  1.00 67.10           H  
+ATOM    881  HD3 LYS A 945      -5.183  -3.375   5.531  1.00 82.17           H  
+ATOM    882  HD2 LYS A 945      -3.989  -2.247   4.969  1.00 82.17           H  
+ATOM    883  HE3 LYS A 945      -3.486  -5.263   5.275  1.00 95.75           H  
+ATOM    884  HE2 LYS A 945      -3.108  -4.075   6.506  1.00 95.75           H  
+ATOM    885  HZ1 LYS A 945      -1.963  -4.103   3.814  1.00106.63           H  
+ATOM    886  HZ2 LYS A 945      -1.628  -3.002   4.994  1.00106.63           H  
+ATOM    887  HZ3 LYS A 945      -1.210  -4.584   5.204  1.00106.63           H  
+ATOM    888  N   GLN A 946      -7.334  -0.770   0.744  1.00 43.11           N  
+ATOM    889  CA  GLN A 946      -8.443   0.097   0.367  1.00 42.59           C  
+ATOM    890  C   GLN A 946      -9.110  -0.331  -0.958  1.00 44.21           C  
+ATOM    891  O   GLN A 946     -10.329  -0.210  -1.043  1.00 44.62           O  
+ATOM    892  CB  GLN A 946      -7.963   1.560   0.340  1.00 44.07           C  
+ATOM    893  CG  GLN A 946      -9.129   2.569   0.397  1.00 72.22           C  
+ATOM    894  CD  GLN A 946      -8.728   4.040   0.278  1.00 92.80           C  
+ATOM    895  OE1 GLN A 946      -9.604   4.893   0.167  1.00 86.97           O  
+ATOM    896  NE2 GLN A 946      -7.430   4.360   0.300  1.00 85.94           N  
+ATOM    897  H   GLN A 946      -6.409  -0.369   0.682  1.00 43.11           H  
+ATOM    898  HA  GLN A 946      -9.195   0.009   1.155  1.00 42.59           H  
+ATOM    899  HB3 GLN A 946      -7.357   1.732  -0.550  1.00 44.07           H  
+ATOM    900  HB2 GLN A 946      -7.311   1.735   1.197  1.00 44.07           H  
+ATOM    901  HG3 GLN A 946      -9.675   2.442   1.333  1.00 72.22           H  
+ATOM    902  HG2 GLN A 946      -9.840   2.363  -0.401  1.00 72.22           H  
+ATOM    903 HE22 GLN A 946      -7.135   5.320   0.215  1.00 85.94           H  
+ATOM    904 HE21 GLN A 946      -6.734   3.635   0.399  1.00 85.94           H  
+ATOM    905  N   GLU A 947      -8.348  -0.879  -1.930  1.00 38.42           N  
+ATOM    906  CA  GLU A 947      -8.906  -1.503  -3.139  1.00 36.42           C  
+ATOM    907  C   GLU A 947      -9.780  -2.727  -2.818  1.00 41.24           C  
+ATOM    908  O   GLU A 947     -10.874  -2.842  -3.371  1.00 41.44           O  
+ATOM    909  CB  GLU A 947      -7.811  -1.841  -4.185  1.00 36.47           C  
+ATOM    910  CG  GLU A 947      -8.353  -2.649  -5.399  1.00 37.83           C  
+ATOM    911  CD  GLU A 947      -7.388  -2.932  -6.555  1.00 51.81           C  
+ATOM    912  OE1 GLU A 947      -6.166  -2.717  -6.403  1.00 50.51           O  
+ATOM    913  OE2 GLU A 947      -7.901  -3.378  -7.606  1.00 44.67           O1-
+ATOM    914  H   GLU A 947      -7.345  -0.929  -1.815  1.00 38.42           H  
+ATOM    915  HA  GLU A 947      -9.563  -0.762  -3.600  1.00 36.42           H  
+ATOM    916  HB3 GLU A 947      -6.998  -2.389  -3.709  1.00 36.47           H  
+ATOM    917  HB2 GLU A 947      -7.376  -0.906  -4.536  1.00 36.47           H  
+ATOM    918  HG3 GLU A 947      -9.229  -2.139  -5.800  1.00 37.83           H  
+ATOM    919  HG2 GLU A 947      -8.698  -3.629  -5.069  1.00 37.83           H  
+ATOM    920  N   ILE A 948      -9.276  -3.603  -1.931  1.00 37.07           N  
+ATOM    921  CA  ILE A 948      -9.968  -4.803  -1.460  1.00 37.44           C  
+ATOM    922  C   ILE A 948     -11.283  -4.466  -0.726  1.00 42.50           C  
+ATOM    923  O   ILE A 948     -12.287  -5.123  -0.994  1.00 40.78           O  
+ATOM    924  CB  ILE A 948      -9.051  -5.686  -0.556  1.00 40.85           C  
+ATOM    925  CG1 ILE A 948      -7.886  -6.291  -1.374  1.00 40.33           C  
+ATOM    926  CG2 ILE A 948      -9.790  -6.809   0.209  1.00 41.59           C  
+ATOM    927  CD1 ILE A 948      -6.668  -6.695  -0.528  1.00 45.34           C  
+ATOM    928  H   ILE A 948      -8.360  -3.433  -1.536  1.00 37.07           H  
+ATOM    929  HA  ILE A 948     -10.230  -5.388  -2.344  1.00 37.44           H  
+ATOM    930  HB  ILE A 948      -8.605  -5.031   0.193  1.00 40.85           H  
+ATOM    931 HG13 ILE A 948      -7.540  -5.580  -2.125  1.00 40.33           H  
+ATOM    932 HG12 ILE A 948      -8.246  -7.153  -1.934  1.00 40.33           H  
+ATOM    933 HG21 ILE A 948      -9.101  -7.453   0.753  1.00 41.59           H  
+ATOM    934 HG22 ILE A 948     -10.483  -6.412   0.949  1.00 41.59           H  
+ATOM    935 HG23 ILE A 948     -10.359  -7.439  -0.475  1.00 41.59           H  
+ATOM    936 HD11 ILE A 948      -6.200  -7.595  -0.927  1.00 45.34           H  
+ATOM    937 HD12 ILE A 948      -5.919  -5.904  -0.531  1.00 45.34           H  
+ATOM    938 HD13 ILE A 948      -6.924  -6.890   0.512  1.00 45.34           H  
+ATOM    939  N   ASP A 949     -11.262  -3.424   0.126  1.00 41.37           N  
+ATOM    940  CA  ASP A 949     -12.435  -2.864   0.808  1.00 43.58           C  
+ATOM    941  C   ASP A 949     -13.474  -2.292  -0.173  1.00 46.27           C  
+ATOM    942  O   ASP A 949     -14.651  -2.616  -0.033  1.00 45.58           O  
+ATOM    943  CB  ASP A 949     -12.087  -1.787   1.872  1.00 47.36           C  
+ATOM    944  CG  ASP A 949     -11.141  -2.208   3.012  1.00 66.46           C  
+ATOM    945  OD1 ASP A 949     -11.036  -3.423   3.293  1.00 66.64           O  
+ATOM    946  OD2 ASP A 949     -10.620  -1.284   3.674  1.00 76.34           O1-
+ATOM    947  H   ASP A 949     -10.383  -2.959   0.312  1.00 41.37           H  
+ATOM    948  HA  ASP A 949     -12.922  -3.695   1.323  1.00 43.58           H  
+ATOM    949  HB3 ASP A 949     -13.007  -1.429   2.337  1.00 47.36           H  
+ATOM    950  HB2 ASP A 949     -11.634  -0.929   1.372  1.00 47.36           H  
+ATOM    951  N   ILE A 950     -13.024  -1.479  -1.147  1.00 42.07           N  
+ATOM    952  CA  ILE A 950     -13.869  -0.855  -2.172  1.00 41.21           C  
+ATOM    953  C   ILE A 950     -14.586  -1.882  -3.069  1.00 44.57           C  
+ATOM    954  O   ILE A 950     -15.800  -1.782  -3.226  1.00 44.89           O  
+ATOM    955  CB  ILE A 950     -13.077   0.177  -3.042  1.00 43.50           C  
+ATOM    956  CG1 ILE A 950     -12.782   1.451  -2.217  1.00 44.25           C  
+ATOM    957  CG2 ILE A 950     -13.744   0.575  -4.384  1.00 43.82           C  
+ATOM    958  CD1 ILE A 950     -11.746   2.391  -2.852  1.00 47.81           C  
+ATOM    959  H   ILE A 950     -12.039  -1.252  -1.188  1.00 42.07           H  
+ATOM    960  HA  ILE A 950     -14.650  -0.307  -1.640  1.00 41.21           H  
+ATOM    961  HB  ILE A 950     -12.117  -0.278  -3.290  1.00 43.50           H  
+ATOM    962 HG13 ILE A 950     -12.448   1.192  -1.213  1.00 44.25           H  
+ATOM    963 HG12 ILE A 950     -13.710   1.998  -2.074  1.00 44.25           H  
+ATOM    964 HG21 ILE A 950     -13.173   1.340  -4.908  1.00 43.82           H  
+ATOM    965 HG22 ILE A 950     -13.811  -0.265  -5.075  1.00 43.82           H  
+ATOM    966 HG23 ILE A 950     -14.750   0.966  -4.225  1.00 43.82           H  
+ATOM    967 HD11 ILE A 950     -11.285   3.033  -2.102  1.00 47.81           H  
+ATOM    968 HD12 ILE A 950     -10.949   1.836  -3.348  1.00 47.81           H  
+ATOM    969 HD13 ILE A 950     -12.212   3.044  -3.590  1.00 47.81           H  
+ATOM    970  N   LEU A 951     -13.844  -2.860  -3.612  1.00 41.27           N  
+ATOM    971  CA  LEU A 951     -14.390  -3.889  -4.501  1.00 41.85           C  
+ATOM    972  C   LEU A 951     -15.311  -4.898  -3.782  1.00 47.62           C  
+ATOM    973  O   LEU A 951     -16.230  -5.416  -4.415  1.00 47.54           O  
+ATOM    974  CB  LEU A 951     -13.222  -4.560  -5.261  1.00 41.42           C  
+ATOM    975  CG  LEU A 951     -13.629  -5.508  -6.414  1.00 46.53           C  
+ATOM    976  CD1 LEU A 951     -14.442  -4.782  -7.511  1.00 46.18           C  
+ATOM    977  CD2 LEU A 951     -12.393  -6.227  -6.987  1.00 49.35           C  
+ATOM    978  H   LEU A 951     -12.847  -2.893  -3.439  1.00 41.27           H  
+ATOM    979  HA  LEU A 951     -15.014  -3.368  -5.228  1.00 41.85           H  
+ATOM    980  HB3 LEU A 951     -12.606  -5.108  -4.545  1.00 41.42           H  
+ATOM    981  HB2 LEU A 951     -12.574  -3.781  -5.670  1.00 41.42           H  
+ATOM    982  HG  LEU A 951     -14.268  -6.292  -6.011  1.00 46.53           H  
+ATOM    983 HD11 LEU A 951     -14.066  -4.968  -8.516  1.00 46.18           H  
+ATOM    984 HD12 LEU A 951     -15.484  -5.105  -7.495  1.00 46.18           H  
+ATOM    985 HD13 LEU A 951     -14.438  -3.700  -7.381  1.00 46.18           H  
+ATOM    986 HD21 LEU A 951     -12.435  -6.350  -8.069  1.00 49.35           H  
+ATOM    987 HD22 LEU A 951     -11.476  -5.685  -6.762  1.00 49.35           H  
+ATOM    988 HD23 LEU A 951     -12.296  -7.224  -6.556  1.00 49.35           H  
+ATOM    989  N   ARG A 952     -15.083  -5.119  -2.475  1.00 45.43           N  
+ATOM    990  CA  ARG A 952     -15.910  -5.961  -1.608  1.00 47.25           C  
+ATOM    991  C   ARG A 952     -17.297  -5.358  -1.297  1.00 52.09           C  
+ATOM    992  O   ARG A 952     -18.247  -6.130  -1.161  1.00 53.68           O  
+ATOM    993  CB  ARG A 952     -15.093  -6.319  -0.345  1.00 49.60           C  
+ATOM    994  CG  ARG A 952     -15.848  -7.067   0.773  1.00 64.86           C  
+ATOM    995  CD  ARG A 952     -14.945  -7.821   1.768  1.00 76.56           C  
+ATOM    996  NE  ARG A 952     -13.891  -6.983   2.376  1.00 87.65           N  
+ATOM    997  CZ  ARG A 952     -12.724  -7.401   2.906  1.00104.51           C  
+ATOM    998  NH1 ARG A 952     -12.356  -8.692   2.909  1.00 93.37           N  
+ATOM    999  NH2 ARG A 952     -11.896  -6.504   3.452  1.00 92.17           N1+
+ATOM   1000  H   ARG A 952     -14.304  -4.656  -2.027  1.00 45.43           H  
+ATOM   1001  HA  ARG A 952     -16.098  -6.894  -2.142  1.00 47.25           H  
+ATOM   1002  HB3 ARG A 952     -14.699  -5.399   0.087  1.00 49.60           H  
+ATOM   1003  HB2 ARG A 952     -14.228  -6.908  -0.651  1.00 49.60           H  
+ATOM   1004  HG3 ARG A 952     -16.424  -7.837   0.258  1.00 64.86           H  
+ATOM   1005  HG2 ARG A 952     -16.583  -6.447   1.288  1.00 64.86           H  
+ATOM   1006  HD3 ARG A 952     -14.599  -8.767   1.359  1.00 76.56           H  
+ATOM   1007  HD2 ARG A 952     -15.568  -8.084   2.623  1.00 76.56           H  
+ATOM   1008  HE  ARG A 952     -14.092  -5.993   2.404  1.00 87.65           H  
+ATOM   1009 HH12 ARG A 952     -11.480  -8.978   3.318  1.00 93.37           H  
+ATOM   1010 HH11 ARG A 952     -12.954  -9.383   2.479  1.00 93.37           H  
+ATOM   1011 HH22 ARG A 952     -12.102  -5.512   3.427  1.00 92.17           H  
+ATOM   1012 HH21 ARG A 952     -11.019  -6.796   3.860  1.00 92.17           H  
+ATOM   1013  N   THR A 953     -17.405  -4.019  -1.209  1.00 47.85           N  
+ATOM   1014  CA  THR A 953     -18.677  -3.318  -0.985  1.00 48.24           C  
+ATOM   1015  C   THR A 953     -19.466  -3.056  -2.288  1.00 50.96           C  
+ATOM   1016  O   THR A 953     -20.682  -2.879  -2.203  1.00 52.21           O  
+ATOM   1017  CB  THR A 953     -18.474  -1.956  -0.266  1.00 56.81           C  
+ATOM   1018  OG1 THR A 953     -17.730  -1.036  -1.044  1.00 60.06           O  
+ATOM   1019  CG2 THR A 953     -17.848  -2.084   1.131  1.00 56.45           C  
+ATOM   1020  H   THR A 953     -16.589  -3.433  -1.325  1.00 47.85           H  
+ATOM   1021  HA  THR A 953     -19.311  -3.935  -0.343  1.00 48.24           H  
+ATOM   1022  HB  THR A 953     -19.454  -1.495  -0.125  1.00 56.81           H  
+ATOM   1023  HG1 THR A 953     -17.586  -0.234  -0.533  1.00 60.06           H  
+ATOM   1024 HG21 THR A 953     -17.701  -1.106   1.590  1.00 56.45           H  
+ATOM   1025 HG22 THR A 953     -18.495  -2.661   1.791  1.00 56.45           H  
+ATOM   1026 HG23 THR A 953     -16.885  -2.588   1.104  1.00 56.45           H  
+ATOM   1027  N   LEU A 954     -18.797  -3.055  -3.456  1.00 45.03           N  
+ATOM   1028  CA  LEU A 954     -19.439  -2.881  -4.761  1.00 43.59           C  
+ATOM   1029  C   LEU A 954     -20.044  -4.203  -5.262  1.00 47.51           C  
+ATOM   1030  O   LEU A 954     -19.404  -5.251  -5.158  1.00 46.90           O  
+ATOM   1031  CB  LEU A 954     -18.413  -2.345  -5.784  1.00 41.91           C  
+ATOM   1032  CG  LEU A 954     -17.940  -0.893  -5.550  1.00 44.98           C  
+ATOM   1033  CD1 LEU A 954     -16.671  -0.602  -6.363  1.00 43.77           C  
+ATOM   1034  CD2 LEU A 954     -19.028   0.159  -5.826  1.00 45.62           C  
+ATOM   1035  H   LEU A 954     -17.797  -3.200  -3.460  1.00 45.03           H  
+ATOM   1036  HA  LEU A 954     -20.249  -2.160  -4.656  1.00 43.59           H  
+ATOM   1037  HB3 LEU A 954     -18.826  -2.409  -6.793  1.00 41.91           H  
+ATOM   1038  HB2 LEU A 954     -17.547  -3.010  -5.781  1.00 41.91           H  
+ATOM   1039  HG  LEU A 954     -17.682  -0.790  -4.498  1.00 44.98           H  
+ATOM   1040 HD11 LEU A 954     -16.360   0.436  -6.252  1.00 43.77           H  
+ATOM   1041 HD12 LEU A 954     -15.840  -1.224  -6.032  1.00 43.77           H  
+ATOM   1042 HD13 LEU A 954     -16.825  -0.798  -7.424  1.00 43.77           H  
+ATOM   1043 HD21 LEU A 954     -18.860   1.052  -5.225  1.00 45.62           H  
+ATOM   1044 HD22 LEU A 954     -19.039   0.461  -6.873  1.00 45.62           H  
+ATOM   1045 HD23 LEU A 954     -20.025  -0.194  -5.579  1.00 45.62           H  
+ATOM   1046  N   TYR A 955     -21.256  -4.109  -5.829  1.00 44.63           N  
+ATOM   1047  CA  TYR A 955     -21.980  -5.223  -6.430  1.00 45.07           C  
+ATOM   1048  C   TYR A 955     -22.878  -4.673  -7.547  1.00 45.96           C  
+ATOM   1049  O   TYR A 955     -23.872  -4.007  -7.256  1.00 46.41           O  
+ATOM   1050  CB  TYR A 955     -22.763  -5.996  -5.344  1.00 49.65           C  
+ATOM   1051  CG  TYR A 955     -23.411  -7.283  -5.828  1.00 54.91           C  
+ATOM   1052  CD1 TYR A 955     -22.687  -8.493  -5.779  1.00 57.41           C  
+ATOM   1053  CD2 TYR A 955     -24.729  -7.278  -6.332  1.00 57.57           C  
+ATOM   1054  CE1 TYR A 955     -23.276  -9.690  -6.230  1.00 59.75           C  
+ATOM   1055  CE2 TYR A 955     -25.315  -8.474  -6.792  1.00 60.10           C  
+ATOM   1056  CZ  TYR A 955     -24.590  -9.680  -6.740  1.00 68.68           C  
+ATOM   1057  OH  TYR A 955     -25.162 -10.838  -7.182  1.00 72.06           O  
+ATOM   1058  H   TYR A 955     -21.730  -3.215  -5.853  1.00 44.63           H  
+ATOM   1059  HA  TYR A 955     -21.260  -5.910  -6.880  1.00 45.07           H  
+ATOM   1060  HB3 TYR A 955     -23.525  -5.357  -4.895  1.00 49.65           H  
+ATOM   1061  HB2 TYR A 955     -22.088  -6.259  -4.528  1.00 49.65           H  
+ATOM   1062  HD1 TYR A 955     -21.676  -8.505  -5.398  1.00 57.41           H  
+ATOM   1063  HD2 TYR A 955     -25.291  -6.357  -6.374  1.00 57.57           H  
+ATOM   1064  HE1 TYR A 955     -22.715 -10.611  -6.186  1.00 59.75           H  
+ATOM   1065  HE2 TYR A 955     -26.323  -8.463  -7.181  1.00 60.10           H  
+ATOM   1066  HH  TYR A 955     -24.592 -11.603  -7.083  1.00 72.06           H  
+ATOM   1067  N   HIS A 956     -22.503  -4.959  -8.803  1.00 39.68           N  
+ATOM   1068  CA  HIS A 956     -23.214  -4.526 -10.006  1.00 38.26           C  
+ATOM   1069  C   HIS A 956     -22.881  -5.467 -11.171  1.00 41.07           C  
+ATOM   1070  O   HIS A 956     -21.788  -6.034 -11.207  1.00 39.48           O  
+ATOM   1071  CB  HIS A 956     -22.830  -3.065 -10.334  1.00 37.69           C  
+ATOM   1072  CG  HIS A 956     -23.823  -2.334 -11.199  1.00 40.30           C  
+ATOM   1073  ND1 HIS A 956     -23.673  -2.217 -12.584  1.00 40.74           N  
+ATOM   1074  CD2 HIS A 956     -24.986  -1.693 -10.822  1.00 42.24           C  
+ATOM   1075  CE1 HIS A 956     -24.729  -1.521 -12.983  1.00 40.29           C  
+ATOM   1076  NE2 HIS A 956     -25.539  -1.181 -11.982  1.00 41.53           N  
+ATOM   1077  H   HIS A 956     -21.671  -5.515  -8.961  1.00 39.68           H  
+ATOM   1078  HA  HIS A 956     -24.285  -4.588  -9.803  1.00 38.26           H  
+ATOM   1079  HB3 HIS A 956     -21.848  -3.018 -10.807  1.00 37.69           H  
+ATOM   1080  HB2 HIS A 956     -22.740  -2.493  -9.414  1.00 37.69           H  
+ATOM   1081  HD2 HIS A 956     -25.444  -1.565  -9.853  1.00 42.24           H  
+ATOM   1082  HE1 HIS A 956     -24.911  -1.249 -14.010  1.00 40.29           H  
+ATOM   1083  HE2 HIS A 956     -26.396  -0.652 -12.059  1.00 41.53           H  
+ATOM   1084  N   GLU A 957     -23.816  -5.578 -12.130  1.00 37.79           N  
+ATOM   1085  CA  GLU A 957     -23.647  -6.353 -13.363  1.00 37.07           C  
+ATOM   1086  C   GLU A 957     -22.575  -5.797 -14.324  1.00 38.36           C  
+ATOM   1087  O   GLU A 957     -22.065  -6.566 -15.140  1.00 38.29           O  
+ATOM   1088  CB  GLU A 957     -25.002  -6.521 -14.084  1.00 39.83           C  
+ATOM   1089  CG  GLU A 957     -25.758  -5.201 -14.383  1.00 51.33           C  
+ATOM   1090  CD  GLU A 957     -26.961  -5.326 -15.337  1.00 75.08           C  
+ATOM   1091  OE1 GLU A 957     -27.734  -4.343 -15.384  1.00 76.02           O  
+ATOM   1092  OE2 GLU A 957     -27.101  -6.369 -16.016  1.00 61.54           O1-
+ATOM   1093  H   GLU A 957     -24.685  -5.071 -12.043  1.00 37.79           H  
+ATOM   1094  HA  GLU A 957     -23.310  -7.350 -13.072  1.00 37.07           H  
+ATOM   1095  HB3 GLU A 957     -25.643  -7.179 -13.495  1.00 39.83           H  
+ATOM   1096  HB2 GLU A 957     -24.817  -7.057 -15.016  1.00 39.83           H  
+ATOM   1097  HG3 GLU A 957     -25.074  -4.476 -14.820  1.00 51.33           H  
+ATOM   1098  HG2 GLU A 957     -26.103  -4.761 -13.446  1.00 51.33           H  
+ATOM   1099  N   HIS A 958     -22.251  -4.497 -14.202  1.00 33.06           N  
+ATOM   1100  CA  HIS A 958     -21.248  -3.795 -15.007  1.00 30.23           C  
+ATOM   1101  C   HIS A 958     -20.035  -3.354 -14.172  1.00 34.52           C  
+ATOM   1102  O   HIS A 958     -19.356  -2.397 -14.543  1.00 33.24           O  
+ATOM   1103  CB  HIS A 958     -21.902  -2.634 -15.784  1.00 29.49           C  
+ATOM   1104  CG  HIS A 958     -23.101  -3.035 -16.607  1.00 32.84           C  
+ATOM   1105  ND1 HIS A 958     -23.102  -4.140 -17.441  1.00 34.50           N  
+ATOM   1106  CD2 HIS A 958     -24.371  -2.512 -16.690  1.00 35.61           C  
+ATOM   1107  CE1 HIS A 958     -24.330  -4.251 -17.949  1.00 34.74           C  
+ATOM   1108  NE2 HIS A 958     -25.150  -3.291 -17.543  1.00 35.88           N  
+ATOM   1109  H   HIS A 958     -22.732  -3.932 -13.515  1.00 33.06           H  
+ATOM   1110  HA  HIS A 958     -20.843  -4.487 -15.744  1.00 30.23           H  
+ATOM   1111  HB3 HIS A 958     -21.173  -2.190 -16.463  1.00 29.49           H  
+ATOM   1112  HB2 HIS A 958     -22.209  -1.845 -15.097  1.00 29.49           H  
+ATOM   1113  HD1 HIS A 958     -22.316  -4.751 -17.619  1.00 34.50           H  
+ATOM   1114  HD2 HIS A 958     -24.792  -1.657 -16.189  1.00 35.61           H  
+ATOM   1115  HE1 HIS A 958     -24.629  -5.033 -18.632  1.00 34.74           H  
+ATOM   1116  N   ILE A 959     -19.748  -4.104 -13.099  1.00 33.55           N  
+ATOM   1117  CA  ILE A 959     -18.501  -4.070 -12.338  1.00 33.44           C  
+ATOM   1118  C   ILE A 959     -18.043  -5.531 -12.151  1.00 38.25           C  
+ATOM   1119  O   ILE A 959     -18.890  -6.408 -11.969  1.00 38.75           O  
+ATOM   1120  CB  ILE A 959     -18.682  -3.354 -10.957  1.00 37.20           C  
+ATOM   1121  CG1 ILE A 959     -18.889  -1.832 -11.169  1.00 36.98           C  
+ATOM   1122  CG2 ILE A 959     -17.533  -3.599  -9.952  1.00 38.30           C  
+ATOM   1123  CD1 ILE A 959     -19.214  -1.037  -9.897  1.00 43.20           C  
+ATOM   1124  H   ILE A 959     -20.370  -4.864 -12.857  1.00 33.55           H  
+ATOM   1125  HA  ILE A 959     -17.735  -3.550 -12.912  1.00 33.44           H  
+ATOM   1126  HB  ILE A 959     -19.591  -3.744 -10.497  1.00 37.20           H  
+ATOM   1127 HG13 ILE A 959     -19.697  -1.658 -11.879  1.00 36.98           H  
+ATOM   1128 HG12 ILE A 959     -17.996  -1.407 -11.627  1.00 36.98           H  
+ATOM   1129 HG21 ILE A 959     -17.652  -3.020  -9.037  1.00 38.30           H  
+ATOM   1130 HG22 ILE A 959     -17.485  -4.639  -9.634  1.00 38.30           H  
+ATOM   1131 HG23 ILE A 959     -16.569  -3.339 -10.386  1.00 38.30           H  
+ATOM   1132 HD11 ILE A 959     -19.708  -0.099 -10.152  1.00 43.20           H  
+ATOM   1133 HD12 ILE A 959     -19.873  -1.596  -9.232  1.00 43.20           H  
+ATOM   1134 HD13 ILE A 959     -18.310  -0.782  -9.345  1.00 43.20           H  
+ATOM   1135  N   ILE A 960     -16.718  -5.772 -12.203  1.00 34.04           N  
+ATOM   1136  CA  ILE A 960     -16.106  -7.087 -11.974  1.00 34.30           C  
+ATOM   1137  C   ILE A 960     -16.407  -7.597 -10.547  1.00 39.83           C  
+ATOM   1138  O   ILE A 960     -16.175  -6.875  -9.576  1.00 39.81           O  
+ATOM   1139  CB  ILE A 960     -14.565  -7.080 -12.229  1.00 35.69           C  
+ATOM   1140  CG1 ILE A 960     -13.989  -8.518 -12.265  1.00 36.05           C  
+ATOM   1141  CG2 ILE A 960     -13.760  -6.195 -11.249  1.00 35.48           C  
+ATOM   1142  CD1 ILE A 960     -12.573  -8.639 -12.854  1.00 37.96           C  
+ATOM   1143  H   ILE A 960     -16.078  -5.006 -12.373  1.00 34.04           H  
+ATOM   1144  HA  ILE A 960     -16.564  -7.769 -12.694  1.00 34.30           H  
+ATOM   1145  HB  ILE A 960     -14.426  -6.656 -13.225  1.00 35.69           H  
+ATOM   1146 HG13 ILE A 960     -14.651  -9.150 -12.857  1.00 36.05           H  
+ATOM   1147 HG12 ILE A 960     -13.996  -8.948 -11.263  1.00 36.05           H  
+ATOM   1148 HG21 ILE A 960     -12.740  -6.036 -11.596  1.00 35.48           H  
+ATOM   1149 HG22 ILE A 960     -14.216  -5.213 -11.131  1.00 35.48           H  
+ATOM   1150 HG23 ILE A 960     -13.684  -6.649 -10.261  1.00 35.48           H  
+ATOM   1151 HD11 ILE A 960     -11.939  -9.262 -12.223  1.00 37.96           H  
+ATOM   1152 HD12 ILE A 960     -12.601  -9.102 -13.839  1.00 37.96           H  
+ATOM   1153 HD13 ILE A 960     -12.075  -7.677 -12.968  1.00 37.96           H  
+ATOM   1154  N   LYS A 961     -16.985  -8.803 -10.455  1.00 38.47           N  
+ATOM   1155  CA  LYS A 961     -17.509  -9.333  -9.201  1.00 40.15           C  
+ATOM   1156  C   LYS A 961     -16.382  -9.868  -8.306  1.00 44.21           C  
+ATOM   1157  O   LYS A 961     -15.551 -10.659  -8.757  1.00 42.58           O  
+ATOM   1158  CB  LYS A 961     -18.572 -10.415  -9.475  1.00 43.99           C  
+ATOM   1159  CG  LYS A 961     -19.529 -10.613  -8.282  1.00 65.82           C  
+ATOM   1160  CD  LYS A 961     -20.373 -11.892  -8.363  1.00 82.27           C  
+ATOM   1161  CE  LYS A 961     -19.586 -13.144  -7.940  1.00 98.09           C  
+ATOM   1162  NZ  LYS A 961     -20.437 -14.346  -7.953  1.00108.33           N1+
+ATOM   1163  H   LYS A 961     -17.162  -9.351 -11.289  1.00 38.47           H  
+ATOM   1164  HA  LYS A 961     -18.007  -8.515  -8.676  1.00 40.15           H  
+ATOM   1165  HB3 LYS A 961     -18.087 -11.350  -9.755  1.00 43.99           H  
+ATOM   1166  HB2 LYS A 961     -19.180 -10.126 -10.333  1.00 43.99           H  
+ATOM   1167  HG3 LYS A 961     -20.200  -9.754  -8.235  1.00 65.82           H  
+ATOM   1168  HG2 LYS A 961     -18.984 -10.607  -7.338  1.00 65.82           H  
+ATOM   1169  HD3 LYS A 961     -20.744 -12.013  -9.382  1.00 82.27           H  
+ATOM   1170  HD2 LYS A 961     -21.255 -11.771  -7.732  1.00 82.27           H  
+ATOM   1171  HE3 LYS A 961     -19.189 -13.016  -6.932  1.00 98.09           H  
+ATOM   1172  HE2 LYS A 961     -18.734 -13.309  -8.600  1.00 98.09           H  
+ATOM   1173  HZ1 LYS A 961     -20.781 -14.504  -8.890  1.00108.33           H  
+ATOM   1174  HZ2 LYS A 961     -19.898 -15.146  -7.651  1.00108.33           H  
+ATOM   1175  HZ3 LYS A 961     -21.218 -14.215  -7.326  1.00108.33           H  
+ATOM   1176  N   TYR A 962     -16.429  -9.442  -7.036  1.00 42.43           N  
+ATOM   1177  CA  TYR A 962     -15.611  -9.940  -5.938  1.00 43.53           C  
+ATOM   1178  C   TYR A 962     -16.005 -11.389  -5.596  1.00 47.09           C  
+ATOM   1179  O   TYR A 962     -17.144 -11.624  -5.191  1.00 48.07           O  
+ATOM   1180  CB  TYR A 962     -15.810  -8.977  -4.746  1.00 46.00           C  
+ATOM   1181  CG  TYR A 962     -15.059  -9.322  -3.474  1.00 48.99           C  
+ATOM   1182  CD1 TYR A 962     -13.701  -8.970  -3.344  1.00 50.72           C  
+ATOM   1183  CD2 TYR A 962     -15.717  -9.979  -2.412  1.00 51.43           C  
+ATOM   1184  CE1 TYR A 962     -12.998  -9.289  -2.166  1.00 52.08           C  
+ATOM   1185  CE2 TYR A 962     -15.015 -10.294  -1.234  1.00 53.15           C  
+ATOM   1186  CZ  TYR A 962     -13.652  -9.960  -1.116  1.00 59.98           C  
+ATOM   1187  OH  TYR A 962     -12.962 -10.301   0.010  1.00 63.78           O  
+ATOM   1188  H   TYR A 962     -17.143  -8.777  -6.774  1.00 42.43           H  
+ATOM   1189  HA  TYR A 962     -14.563  -9.908  -6.243  1.00 43.53           H  
+ATOM   1190  HB3 TYR A 962     -16.872  -8.900  -4.504  1.00 46.00           H  
+ATOM   1191  HB2 TYR A 962     -15.510  -7.972  -5.043  1.00 46.00           H  
+ATOM   1192  HD1 TYR A 962     -13.200  -8.455  -4.150  1.00 50.72           H  
+ATOM   1193  HD2 TYR A 962     -16.759 -10.248  -2.503  1.00 51.43           H  
+ATOM   1194  HE1 TYR A 962     -11.956  -9.026  -2.073  1.00 52.08           H  
+ATOM   1195  HE2 TYR A 962     -15.520 -10.808  -0.429  1.00 53.15           H  
+ATOM   1196  HH  TYR A 962     -12.022 -10.110  -0.061  1.00 63.78           H  
+ATOM   1197  N   LYS A 963     -15.059 -12.325  -5.770  1.00 42.37           N  
+ATOM   1198  CA  LYS A 963     -15.207 -13.725  -5.363  1.00 42.56           C  
+ATOM   1199  C   LYS A 963     -14.896 -13.911  -3.868  1.00 48.47           C  
+ATOM   1200  O   LYS A 963     -15.621 -14.644  -3.197  1.00 50.00           O  
+ATOM   1201  CB  LYS A 963     -14.278 -14.612  -6.217  1.00 43.06           C  
+ATOM   1202  CG  LYS A 963     -14.768 -14.924  -7.643  1.00 48.30           C  
+ATOM   1203  CD  LYS A 963     -15.649 -16.181  -7.740  1.00 61.25           C  
+ATOM   1204  CE  LYS A 963     -15.981 -16.553  -9.198  1.00 72.82           C  
+ATOM   1205  NZ  LYS A 963     -16.609 -17.883  -9.309  1.00 84.70           N1+
+ATOM   1206  H   LYS A 963     -14.147 -12.057  -6.113  1.00 42.37           H  
+ATOM   1207  HA  LYS A 963     -16.237 -14.042  -5.537  1.00 42.56           H  
+ATOM   1208  HB3 LYS A 963     -14.089 -15.559  -5.714  1.00 43.06           H  
+ATOM   1209  HB2 LYS A 963     -13.307 -14.128  -6.275  1.00 43.06           H  
+ATOM   1210  HG3 LYS A 963     -13.891 -15.082  -8.269  1.00 48.30           H  
+ATOM   1211  HG2 LYS A 963     -15.290 -14.063  -8.063  1.00 48.30           H  
+ATOM   1212  HD3 LYS A 963     -16.571 -16.021  -7.177  1.00 61.25           H  
+ATOM   1213  HD2 LYS A 963     -15.134 -17.013  -7.256  1.00 61.25           H  
+ATOM   1214  HE3 LYS A 963     -15.072 -16.570  -9.801  1.00 72.82           H  
+ATOM   1215  HE2 LYS A 963     -16.637 -15.803  -9.640  1.00 72.82           H  
+ATOM   1216  HZ1 LYS A 963     -17.477 -17.900  -8.792  1.00 84.70           H  
+ATOM   1217  HZ2 LYS A 963     -16.794 -18.093 -10.280  1.00 84.70           H  
+ATOM   1218  HZ3 LYS A 963     -15.985 -18.585  -8.937  1.00 84.70           H  
+ATOM   1219  N   GLY A 964     -13.829 -13.257  -3.383  1.00 44.37           N  
+ATOM   1220  CA  GLY A 964     -13.323 -13.424  -2.026  1.00 45.35           C  
+ATOM   1221  C   GLY A 964     -11.877 -12.921  -1.975  1.00 49.58           C  
+ATOM   1222  O   GLY A 964     -11.437 -12.154  -2.833  1.00 45.71           O  
+ATOM   1223  H   GLY A 964     -13.284 -12.662  -3.993  1.00 44.37           H  
+ATOM   1224  HA3 GLY A 964     -13.347 -14.476  -1.735  1.00 45.35           H  
+ATOM   1225  HA2 GLY A 964     -13.938 -12.872  -1.317  1.00 45.35           H  
+ATOM   1226  N   CYS A 965     -11.142 -13.354  -0.942  1.00 49.54           N  
+ATOM   1227  CA  CYS A 965      -9.711 -13.102  -0.775  1.00 51.02           C  
+ATOM   1228  C   CYS A 965      -8.996 -14.422  -0.467  1.00 57.60           C  
+ATOM   1229  O   CYS A 965      -9.612 -15.356   0.041  1.00 57.77           O  
+ATOM   1230  CB  CYS A 965      -9.422 -12.067   0.332  1.00 52.68           C  
+ATOM   1231  SG  CYS A 965      -9.636 -10.386  -0.310  1.00 55.96           S  
+ATOM   1232  H   CYS A 965     -11.563 -13.968  -0.256  1.00 49.54           H  
+ATOM   1233  HA  CYS A 965      -9.296 -12.746  -1.718  1.00 51.02           H  
+ATOM   1234  HB3 CYS A 965      -8.392 -12.140   0.685  1.00 52.68           H  
+ATOM   1235  HB2 CYS A 965     -10.067 -12.220   1.198  1.00 52.68           H  
+ATOM   1236  HG  CYS A 965      -8.583 -10.420  -1.134  1.00 55.96           H  
+ATOM   1237  N   CYS A 966      -7.692 -14.456  -0.772  1.00 56.83           N  
+ATOM   1238  CA  CYS A 966      -6.805 -15.580  -0.502  1.00 59.37           C  
+ATOM   1239  C   CYS A 966      -5.683 -15.108   0.432  1.00 64.61           C  
+ATOM   1240  O   CYS A 966      -5.062 -14.082   0.156  1.00 62.66           O  
+ATOM   1241  CB  CYS A 966      -6.272 -16.191  -1.819  1.00 59.95           C  
+ATOM   1242  SG  CYS A 966      -5.029 -17.485  -1.550  1.00 65.77           S  
+ATOM   1243  H   CYS A 966      -7.258 -13.640  -1.184  1.00 56.83           H  
+ATOM   1244  HA  CYS A 966      -7.354 -16.357   0.027  1.00 59.37           H  
+ATOM   1245  HB3 CYS A 966      -5.831 -15.424  -2.450  1.00 59.95           H  
+ATOM   1246  HB2 CYS A 966      -7.087 -16.620  -2.398  1.00 59.95           H  
+ATOM   1247  HG  CYS A 966      -5.857 -18.345  -0.948  1.00 65.77           H  
+ATOM   1248  N   GLU A 967      -5.426 -15.892   1.494  1.00 64.28           N  
+ATOM   1249  CA  GLU A 967      -4.283 -15.721   2.391  1.00 65.86           C  
+ATOM   1250  C   GLU A 967      -2.975 -15.999   1.629  1.00 70.57           C  
+ATOM   1251  O   GLU A 967      -2.751 -17.136   1.211  1.00 70.73           O  
+ATOM   1252  CB  GLU A 967      -4.428 -16.676   3.598  1.00 69.10           C  
+ATOM   1253  CG  GLU A 967      -3.295 -16.538   4.658  1.00 81.26           C  
+ATOM   1254  CD  GLU A 967      -2.826 -17.831   5.353  1.00 98.19           C  
+ATOM   1255  OE1 GLU A 967      -1.801 -17.730   6.063  1.00 78.88           O  
+ATOM   1256  OE2 GLU A 967      -3.464 -18.894   5.180  1.00 93.22           O1-
+ATOM   1257  H   GLU A 967      -5.982 -16.721   1.646  1.00 64.28           H  
+ATOM   1258  HA  GLU A 967      -4.283 -14.692   2.759  1.00 65.86           H  
+ATOM   1259  HB3 GLU A 967      -4.499 -17.693   3.209  1.00 69.10           H  
+ATOM   1260  HB2 GLU A 967      -5.384 -16.491   4.089  1.00 69.10           H  
+ATOM   1261  HG3 GLU A 967      -3.630 -15.847   5.432  1.00 81.26           H  
+ATOM   1262  HG2 GLU A 967      -2.410 -16.068   4.229  1.00 81.26           H  
+ATOM   1263  N   ASP A 968      -2.144 -14.957   1.484  1.00 66.99           N  
+ATOM   1264  CA  ASP A 968      -0.817 -15.059   0.892  1.00 67.07           C  
+ATOM   1265  C   ASP A 968       0.184 -15.081   2.058  1.00 72.70           C  
+ATOM   1266  O   ASP A 968       0.386 -14.057   2.713  1.00 72.95           O  
+ATOM   1267  CB  ASP A 968      -0.559 -13.895  -0.103  1.00 67.90           C  
+ATOM   1268  CG  ASP A 968       0.534 -14.114  -1.165  1.00 83.41           C  
+ATOM   1269  OD1 ASP A 968       1.215 -15.164  -1.136  1.00 85.94           O  
+ATOM   1270  OD2 ASP A 968       0.685 -13.199  -2.003  1.00 90.83           O1-
+ATOM   1271  H   ASP A 968      -2.392 -14.050   1.856  1.00 66.99           H  
+ATOM   1272  HA  ASP A 968      -0.740 -16.001   0.345  1.00 67.07           H  
+ATOM   1273  HB3 ASP A 968      -0.315 -12.979   0.435  1.00 67.90           H  
+ATOM   1274  HB2 ASP A 968      -1.495 -13.671  -0.612  1.00 67.90           H  
+ATOM   1275  N   ALA A 969       0.771 -16.267   2.298  1.00 69.93           N  
+ATOM   1276  CA  ALA A 969       1.805 -16.494   3.312  1.00 70.98           C  
+ATOM   1277  C   ALA A 969       3.136 -15.798   2.970  1.00 74.28           C  
+ATOM   1278  O   ALA A 969       3.801 -15.299   3.878  1.00 74.55           O  
+ATOM   1279  CB  ALA A 969       2.001 -18.004   3.502  1.00 72.54           C  
+ATOM   1280  H   ALA A 969       0.522 -17.064   1.732  1.00 69.93           H  
+ATOM   1281  HA  ALA A 969       1.445 -16.080   4.256  1.00 70.98           H  
+ATOM   1282  HB1 ALA A 969       2.755 -18.212   4.263  1.00 72.54           H  
+ATOM   1283  HB2 ALA A 969       1.074 -18.479   3.825  1.00 72.54           H  
+ATOM   1284  HB3 ALA A 969       2.319 -18.488   2.577  1.00 72.54           H  
+ATOM   1285  N   GLY A 970       3.456 -15.719   1.666  1.00 69.45           N  
+ATOM   1286  CA  GLY A 970       4.487 -14.836   1.124  1.00 69.02           C  
+ATOM   1287  C   GLY A 970       3.896 -13.424   0.996  1.00 72.14           C  
+ATOM   1288  O   GLY A 970       2.683 -13.260   0.898  1.00 71.87           O  
+ATOM   1289  H   GLY A 970       2.832 -16.139   0.991  1.00 69.45           H  
+ATOM   1290  HA3 GLY A 970       4.783 -15.193   0.138  1.00 69.02           H  
+ATOM   1291  HA2 GLY A 970       5.376 -14.832   1.758  1.00 69.02           H  
+ATOM   1292  N   ALA A 971       4.755 -12.392   1.022  1.00 67.87           N  
+ATOM   1293  CA  ALA A 971       4.402 -10.963   0.976  1.00 66.36           C  
+ATOM   1294  C   ALA A 971       3.646 -10.418   2.210  1.00 68.68           C  
+ATOM   1295  O   ALA A 971       3.609  -9.200   2.357  1.00 67.93           O  
+ATOM   1296  CB  ALA A 971       3.638 -10.614  -0.322  1.00 65.39           C  
+ATOM   1297  H   ALA A 971       5.742 -12.588   1.108  1.00 67.87           H  
+ATOM   1298  HA  ALA A 971       5.355 -10.434   0.945  1.00 66.36           H  
+ATOM   1299  HB1 ALA A 971       3.530  -9.535  -0.440  1.00 65.39           H  
+ATOM   1300  HB2 ALA A 971       4.163 -10.985  -1.202  1.00 65.39           H  
+ATOM   1301  HB3 ALA A 971       2.632 -11.034  -0.341  1.00 65.39           H  
+ATOM   1302  N   ALA A 972       3.073 -11.288   3.066  1.00 64.62           N  
+ATOM   1303  CA  ALA A 972       2.295 -10.978   4.273  1.00 64.42           C  
+ATOM   1304  C   ALA A 972       1.103 -10.044   3.981  1.00 65.37           C  
+ATOM   1305  O   ALA A 972       1.060  -8.918   4.481  1.00 65.17           O  
+ATOM   1306  CB  ALA A 972       3.226 -10.439   5.378  1.00 66.93           C  
+ATOM   1307  H   ALA A 972       3.135 -12.273   2.846  1.00 64.62           H  
+ATOM   1308  HA  ALA A 972       1.877 -11.923   4.622  1.00 64.42           H  
+ATOM   1309  HB1 ALA A 972       2.680 -10.272   6.307  1.00 66.93           H  
+ATOM   1310  HB2 ALA A 972       4.023 -11.151   5.596  1.00 66.93           H  
+ATOM   1311  HB3 ALA A 972       3.695  -9.496   5.096  1.00 66.93           H  
+ATOM   1312  N   SER A 973       0.185 -10.520   3.126  1.00 59.44           N  
+ATOM   1313  CA  SER A 973      -0.931  -9.739   2.590  1.00 57.90           C  
+ATOM   1314  C   SER A 973      -2.074 -10.654   2.116  1.00 59.01           C  
+ATOM   1315  O   SER A 973      -1.920 -11.875   2.084  1.00 59.49           O  
+ATOM   1316  CB  SER A 973      -0.402  -8.797   1.477  1.00 60.76           C  
+ATOM   1317  OG  SER A 973       0.029  -9.507   0.331  1.00 68.97           O  
+ATOM   1318  H   SER A 973       0.269 -11.464   2.772  1.00 59.44           H  
+ATOM   1319  HA  SER A 973      -1.338  -9.129   3.398  1.00 57.90           H  
+ATOM   1320  HB3 SER A 973       0.422  -8.181   1.838  1.00 60.76           H  
+ATOM   1321  HB2 SER A 973      -1.185  -8.104   1.166  1.00 60.76           H  
+ATOM   1322  HG  SER A 973       0.797 -10.034   0.570  1.00 68.97           H  
+ATOM   1323  N   LEU A 974      -3.203 -10.032   1.742  1.00 52.28           N  
+ATOM   1324  CA  LEU A 974      -4.301 -10.696   1.040  1.00 50.34           C  
+ATOM   1325  C   LEU A 974      -4.107 -10.531  -0.470  1.00 50.70           C  
+ATOM   1326  O   LEU A 974      -3.777  -9.435  -0.921  1.00 49.90           O  
+ATOM   1327  CB  LEU A 974      -5.651 -10.057   1.441  1.00 50.33           C  
+ATOM   1328  CG  LEU A 974      -6.130 -10.387   2.870  1.00 55.89           C  
+ATOM   1329  CD1 LEU A 974      -7.386  -9.562   3.226  1.00 55.99           C  
+ATOM   1330  CD2 LEU A 974      -6.346 -11.902   3.083  1.00 57.89           C  
+ATOM   1331  H   LEU A 974      -3.268  -9.027   1.809  1.00 52.28           H  
+ATOM   1332  HA  LEU A 974      -4.315 -11.760   1.277  1.00 50.34           H  
+ATOM   1333  HB3 LEU A 974      -6.428 -10.379   0.745  1.00 50.33           H  
+ATOM   1334  HB2 LEU A 974      -5.579  -8.975   1.321  1.00 50.33           H  
+ATOM   1335  HG  LEU A 974      -5.344 -10.071   3.558  1.00 55.89           H  
+ATOM   1336 HD11 LEU A 974      -7.235  -9.008   4.153  1.00 55.99           H  
+ATOM   1337 HD12 LEU A 974      -7.631  -8.832   2.454  1.00 55.99           H  
+ATOM   1338 HD13 LEU A 974      -8.273 -10.181   3.360  1.00 55.99           H  
+ATOM   1339 HD21 LEU A 974      -7.269 -12.127   3.616  1.00 57.89           H  
+ATOM   1340 HD22 LEU A 974      -6.384 -12.448   2.140  1.00 57.89           H  
+ATOM   1341 HD23 LEU A 974      -5.531 -12.327   3.669  1.00 57.89           H  
+ATOM   1342  N   GLN A 975      -4.397 -11.600  -1.221  1.00 44.54           N  
+ATOM   1343  CA  GLN A 975      -4.655 -11.543  -2.657  1.00 42.17           C  
+ATOM   1344  C   GLN A 975      -6.158 -11.326  -2.883  1.00 43.56           C  
+ATOM   1345  O   GLN A 975      -6.970 -11.925  -2.179  1.00 42.93           O  
+ATOM   1346  CB  GLN A 975      -4.189 -12.848  -3.318  1.00 43.83           C  
+ATOM   1347  CG  GLN A 975      -2.664 -12.968  -3.441  1.00 59.19           C  
+ATOM   1348  CD  GLN A 975      -2.250 -14.348  -3.952  1.00 77.91           C  
+ATOM   1349  OE1 GLN A 975      -1.887 -14.506  -5.115  1.00 74.64           O  
+ATOM   1350  NE2 GLN A 975      -2.322 -15.360  -3.083  1.00 71.32           N  
+ATOM   1351  H   GLN A 975      -4.644 -12.471  -0.766  1.00 44.54           H  
+ATOM   1352  HA  GLN A 975      -4.103 -10.718  -3.108  1.00 42.17           H  
+ATOM   1353  HB3 GLN A 975      -4.619 -12.914  -4.315  1.00 43.83           H  
+ATOM   1354  HB2 GLN A 975      -4.585 -13.690  -2.755  1.00 43.83           H  
+ATOM   1355  HG3 GLN A 975      -2.188 -12.782  -2.481  1.00 59.19           H  
+ATOM   1356  HG2 GLN A 975      -2.285 -12.203  -4.117  1.00 59.19           H  
+ATOM   1357 HE22 GLN A 975      -2.093 -16.297  -3.376  1.00 71.32           H  
+ATOM   1358 HE21 GLN A 975      -2.625 -15.197  -2.133  1.00 71.32           H  
+ATOM   1359  N   LEU A 976      -6.491 -10.482  -3.867  1.00 37.72           N  
+ATOM   1360  CA  LEU A 976      -7.852 -10.128  -4.254  1.00 36.76           C  
+ATOM   1361  C   LEU A 976      -8.329 -11.092  -5.349  1.00 38.66           C  
+ATOM   1362  O   LEU A 976      -7.954 -10.920  -6.510  1.00 37.25           O  
+ATOM   1363  CB  LEU A 976      -7.834  -8.653  -4.716  1.00 36.56           C  
+ATOM   1364  CG  LEU A 976      -9.166  -8.061  -5.224  1.00 41.61           C  
+ATOM   1365  CD1 LEU A 976     -10.299  -8.193  -4.189  1.00 43.42           C  
+ATOM   1366  CD2 LEU A 976      -8.963  -6.603  -5.692  1.00 42.85           C  
+ATOM   1367  H   LEU A 976      -5.756 -10.081  -4.436  1.00 37.72           H  
+ATOM   1368  HA  LEU A 976      -8.514 -10.217  -3.390  1.00 36.76           H  
+ATOM   1369  HB3 LEU A 976      -7.107  -8.557  -5.519  1.00 36.56           H  
+ATOM   1370  HB2 LEU A 976      -7.456  -8.034  -3.902  1.00 36.56           H  
+ATOM   1371  HG  LEU A 976      -9.473  -8.622  -6.106  1.00 41.61           H  
+ATOM   1372 HD11 LEU A 976     -10.947  -7.318  -4.156  1.00 43.42           H  
+ATOM   1373 HD12 LEU A 976     -10.926  -9.051  -4.432  1.00 43.42           H  
+ATOM   1374 HD13 LEU A 976      -9.915  -8.345  -3.181  1.00 43.42           H  
+ATOM   1375 HD21 LEU A 976      -9.584  -5.894  -5.144  1.00 42.85           H  
+ATOM   1376 HD22 LEU A 976      -7.931  -6.271  -5.572  1.00 42.85           H  
+ATOM   1377 HD23 LEU A 976      -9.206  -6.499  -6.750  1.00 42.85           H  
+ATOM   1378  N   VAL A 977      -9.138 -12.089  -4.958  1.00 35.03           N  
+ATOM   1379  CA  VAL A 977      -9.724 -13.057  -5.883  1.00 34.91           C  
+ATOM   1380  C   VAL A 977     -10.996 -12.446  -6.501  1.00 38.85           C  
+ATOM   1381  O   VAL A 977     -11.900 -12.026  -5.777  1.00 39.08           O  
+ATOM   1382  CB  VAL A 977     -10.087 -14.404  -5.192  1.00 39.71           C  
+ATOM   1383  CG1 VAL A 977     -10.566 -15.482  -6.190  1.00 39.45           C  
+ATOM   1384  CG2 VAL A 977      -8.902 -14.966  -4.383  1.00 39.89           C  
+ATOM   1385  H   VAL A 977      -9.430 -12.158  -3.993  1.00 35.03           H  
+ATOM   1386  HA  VAL A 977      -9.008 -13.276  -6.676  1.00 34.91           H  
+ATOM   1387  HB  VAL A 977     -10.904 -14.236  -4.489  1.00 39.71           H  
+ATOM   1388 HG11 VAL A 977     -10.844 -16.399  -5.671  1.00 39.45           H  
+ATOM   1389 HG12 VAL A 977     -11.431 -15.171  -6.772  1.00 39.45           H  
+ATOM   1390 HG13 VAL A 977      -9.781 -15.736  -6.900  1.00 39.45           H  
+ATOM   1391 HG21 VAL A 977      -9.154 -15.924  -3.930  1.00 39.89           H  
+ATOM   1392 HG22 VAL A 977      -8.025 -15.118  -5.013  1.00 39.89           H  
+ATOM   1393 HG23 VAL A 977      -8.613 -14.298  -3.573  1.00 39.89           H  
+ATOM   1394  N   MET A 978     -11.018 -12.399  -7.838  1.00 34.03           N  
+ATOM   1395  CA  MET A 978     -12.116 -11.894  -8.659  1.00 34.32           C  
+ATOM   1396  C   MET A 978     -12.540 -12.991  -9.642  1.00 36.69           C  
+ATOM   1397  O   MET A 978     -11.821 -13.977  -9.818  1.00 35.63           O  
+ATOM   1398  CB  MET A 978     -11.649 -10.646  -9.444  1.00 36.81           C  
+ATOM   1399  CG  MET A 978     -11.004  -9.540  -8.591  1.00 41.50           C  
+ATOM   1400  SD  MET A 978     -10.346  -8.138  -9.537  1.00 45.78           S  
+ATOM   1401  CE  MET A 978      -8.928  -8.929 -10.347  1.00 42.96           C  
+ATOM   1402  H   MET A 978     -10.223 -12.747  -8.359  1.00 34.03           H  
+ATOM   1403  HA  MET A 978     -12.975 -11.632  -8.039  1.00 34.32           H  
+ATOM   1404  HB3 MET A 978     -12.505 -10.218  -9.965  1.00 36.81           H  
+ATOM   1405  HB2 MET A 978     -10.954 -10.945 -10.228  1.00 36.81           H  
+ATOM   1406  HG3 MET A 978     -10.178  -9.937  -8.001  1.00 41.50           H  
+ATOM   1407  HG2 MET A 978     -11.737  -9.160  -7.880  1.00 41.50           H  
+ATOM   1408  HE1 MET A 978      -8.302  -8.176 -10.828  1.00 42.96           H  
+ATOM   1409  HE2 MET A 978      -8.324  -9.468  -9.617  1.00 42.96           H  
+ATOM   1410  HE3 MET A 978      -9.259  -9.632 -11.111  1.00 42.96           H  
+ATOM   1411  N   GLU A 979     -13.693 -12.790 -10.299  1.00 33.63           N  
+ATOM   1412  CA  GLU A 979     -14.130 -13.636 -11.410  1.00 33.95           C  
+ATOM   1413  C   GLU A 979     -13.221 -13.446 -12.639  1.00 35.56           C  
+ATOM   1414  O   GLU A 979     -12.738 -12.338 -12.885  1.00 32.73           O  
+ATOM   1415  CB  GLU A 979     -15.609 -13.338 -11.739  1.00 36.17           C  
+ATOM   1416  CG  GLU A 979     -15.894 -11.923 -12.303  1.00 42.68           C  
+ATOM   1417  CD  GLU A 979     -17.361 -11.629 -12.647  1.00 58.73           C  
+ATOM   1418  OE1 GLU A 979     -18.205 -12.552 -12.608  1.00 57.48           O  
+ATOM   1419  OE2 GLU A 979     -17.624 -10.443 -12.936  1.00 43.43           O1-
+ATOM   1420  H   GLU A 979     -14.249 -11.967 -10.111  1.00 33.63           H  
+ATOM   1421  HA  GLU A 979     -14.062 -14.677 -11.086  1.00 33.95           H  
+ATOM   1422  HB3 GLU A 979     -16.207 -13.493 -10.839  1.00 36.17           H  
+ATOM   1423  HB2 GLU A 979     -15.955 -14.086 -12.454  1.00 36.17           H  
+ATOM   1424  HG3 GLU A 979     -15.327 -11.765 -13.220  1.00 42.68           H  
+ATOM   1425  HG2 GLU A 979     -15.548 -11.173 -11.592  1.00 42.68           H  
+ATOM   1426  N   TYR A 980     -13.041 -14.533 -13.403  1.00 33.04           N  
+ATOM   1427  CA  TYR A 980     -12.430 -14.495 -14.727  1.00 34.05           C  
+ATOM   1428  C   TYR A 980     -13.478 -14.021 -15.747  1.00 39.90           C  
+ATOM   1429  O   TYR A 980     -14.466 -14.722 -15.961  1.00 41.17           O  
+ATOM   1430  CB  TYR A 980     -11.863 -15.890 -15.056  1.00 36.60           C  
+ATOM   1431  CG  TYR A 980     -11.327 -16.057 -16.466  1.00 38.89           C  
+ATOM   1432  CD1 TYR A 980     -10.177 -15.349 -16.872  1.00 40.20           C  
+ATOM   1433  CD2 TYR A 980     -11.976 -16.920 -17.373  1.00 40.57           C  
+ATOM   1434  CE1 TYR A 980      -9.670 -15.518 -18.174  1.00 41.79           C  
+ATOM   1435  CE2 TYR A 980     -11.474 -17.080 -18.678  1.00 41.35           C  
+ATOM   1436  CZ  TYR A 980     -10.320 -16.380 -19.078  1.00 46.65           C  
+ATOM   1437  OH  TYR A 980      -9.833 -16.537 -20.343  1.00 46.21           O  
+ATOM   1438  H   TYR A 980     -13.466 -15.409 -13.137  1.00 33.04           H  
+ATOM   1439  HA  TYR A 980     -11.594 -13.793 -14.715  1.00 34.05           H  
+ATOM   1440  HB3 TYR A 980     -12.636 -16.643 -14.895  1.00 36.60           H  
+ATOM   1441  HB2 TYR A 980     -11.061 -16.132 -14.357  1.00 36.60           H  
+ATOM   1442  HD1 TYR A 980      -9.674 -14.686 -16.183  1.00 40.20           H  
+ATOM   1443  HD2 TYR A 980     -12.862 -17.462 -17.074  1.00 40.57           H  
+ATOM   1444  HE1 TYR A 980      -8.779 -14.987 -18.474  1.00 41.79           H  
+ATOM   1445  HE2 TYR A 980     -11.979 -17.741 -19.368  1.00 41.35           H  
+ATOM   1446  HH  TYR A 980     -10.413 -17.057 -20.904  1.00 46.21           H  
+ATOM   1447  N   VAL A 981     -13.239 -12.838 -16.332  1.00 35.70           N  
+ATOM   1448  CA  VAL A 981     -14.101 -12.197 -17.324  1.00 35.13           C  
+ATOM   1449  C   VAL A 981     -13.574 -12.604 -18.730  1.00 39.95           C  
+ATOM   1450  O   VAL A 981     -12.505 -12.118 -19.104  1.00 40.49           O  
+ATOM   1451  CB  VAL A 981     -14.058 -10.653 -17.132  1.00 37.53           C  
+ATOM   1452  CG1 VAL A 981     -14.857  -9.893 -18.198  1.00 37.76           C  
+ATOM   1453  CG2 VAL A 981     -14.580 -10.246 -15.740  1.00 36.89           C  
+ATOM   1454  H   VAL A 981     -12.399 -12.331 -16.095  1.00 35.70           H  
+ATOM   1455  HA  VAL A 981     -15.137 -12.483 -17.158  1.00 35.13           H  
+ATOM   1456  HB  VAL A 981     -13.023 -10.311 -17.191  1.00 37.53           H  
+ATOM   1457 HG11 VAL A 981     -15.021  -8.853 -17.920  1.00 37.76           H  
+ATOM   1458 HG12 VAL A 981     -14.325  -9.893 -19.146  1.00 37.76           H  
+ATOM   1459 HG13 VAL A 981     -15.840 -10.338 -18.340  1.00 37.76           H  
+ATOM   1460 HG21 VAL A 981     -14.546  -9.164 -15.603  1.00 36.89           H  
+ATOM   1461 HG22 VAL A 981     -15.613 -10.564 -15.595  1.00 36.89           H  
+ATOM   1462 HG23 VAL A 981     -13.983 -10.687 -14.943  1.00 36.89           H  
+ATOM   1463  N   PRO A 982     -14.236 -13.576 -19.417  1.00 37.29           N  
+ATOM   1464  CA  PRO A 982     -13.585 -14.423 -20.446  1.00 36.67           C  
+ATOM   1465  C   PRO A 982     -12.860 -13.783 -21.643  1.00 38.06           C  
+ATOM   1466  O   PRO A 982     -11.839 -14.335 -22.052  1.00 37.41           O  
+ATOM   1467  CB  PRO A 982     -14.700 -15.361 -20.931  1.00 39.18           C  
+ATOM   1468  CG  PRO A 982     -15.601 -15.507 -19.725  1.00 44.96           C  
+ATOM   1469  CD  PRO A 982     -15.570 -14.115 -19.112  1.00 40.09           C  
+ATOM   1470  HA  PRO A 982     -12.851 -15.018 -19.904  1.00 36.67           H  
+ATOM   1471  HB3 PRO A 982     -14.321 -16.321 -21.282  1.00 39.18           H  
+ATOM   1472  HB2 PRO A 982     -15.262 -14.904 -21.747  1.00 39.18           H  
+ATOM   1473  HG3 PRO A 982     -15.162 -16.222 -19.027  1.00 44.96           H  
+ATOM   1474  HG2 PRO A 982     -16.608 -15.847 -19.972  1.00 44.96           H  
+ATOM   1475  HD2 PRO A 982     -16.316 -13.482 -19.589  1.00 40.09           H  
+ATOM   1476  HD3 PRO A 982     -15.827 -14.197 -18.060  1.00 40.09           H  
+ATOM   1477  N   LEU A 983     -13.388 -12.681 -22.203  1.00 33.36           N  
+ATOM   1478  CA  LEU A 983     -12.843 -12.062 -23.422  1.00 31.91           C  
+ATOM   1479  C   LEU A 983     -11.814 -10.946 -23.143  1.00 34.62           C  
+ATOM   1480  O   LEU A 983     -11.249 -10.418 -24.102  1.00 34.03           O  
+ATOM   1481  CB  LEU A 983     -13.998 -11.589 -24.338  1.00 31.79           C  
+ATOM   1482  CG  LEU A 983     -14.914 -12.723 -24.853  1.00 36.75           C  
+ATOM   1483  CD1 LEU A 983     -16.132 -12.153 -25.597  1.00 37.07           C  
+ATOM   1484  CD2 LEU A 983     -14.167 -13.751 -25.725  1.00 39.07           C  
+ATOM   1485  H   LEU A 983     -14.225 -12.261 -21.822  1.00 33.36           H  
+ATOM   1486  HA  LEU A 983     -12.282 -12.812 -23.980  1.00 31.91           H  
+ATOM   1487  HB3 LEU A 983     -13.592 -11.060 -25.201  1.00 31.79           H  
+ATOM   1488  HB2 LEU A 983     -14.603 -10.854 -23.814  1.00 31.79           H  
+ATOM   1489  HG  LEU A 983     -15.313 -13.249 -23.984  1.00 36.75           H  
+ATOM   1490 HD11 LEU A 983     -16.925 -12.897 -25.665  1.00 37.07           H  
+ATOM   1491 HD12 LEU A 983     -16.543 -11.286 -25.082  1.00 37.07           H  
+ATOM   1492 HD13 LEU A 983     -15.876 -11.849 -26.612  1.00 37.07           H  
+ATOM   1493 HD21 LEU A 983     -14.717 -13.993 -26.635  1.00 39.07           H  
+ATOM   1494 HD22 LEU A 983     -13.185 -13.392 -26.034  1.00 39.07           H  
+ATOM   1495 HD23 LEU A 983     -14.020 -14.684 -25.179  1.00 39.07           H  
+ATOM   1496  N   GLY A 984     -11.546 -10.637 -21.860  1.00 30.54           N  
+ATOM   1497  CA  GLY A 984     -10.516  -9.689 -21.423  1.00 29.44           C  
+ATOM   1498  C   GLY A 984     -10.876  -8.236 -21.754  1.00 30.46           C  
+ATOM   1499  O   GLY A 984     -12.021  -7.930 -22.079  1.00 29.51           O  
+ATOM   1500  H   GLY A 984     -12.055 -11.118 -21.131  1.00 30.54           H  
+ATOM   1501  HA3 GLY A 984      -9.560  -9.942 -21.881  1.00 29.44           H  
+ATOM   1502  HA2 GLY A 984     -10.394  -9.779 -20.344  1.00 29.44           H  
+ATOM   1503  N   SER A 985      -9.886  -7.333 -21.635  1.00 25.72           N  
+ATOM   1504  CA  SER A 985     -10.049  -5.891 -21.853  1.00 25.55           C  
+ATOM   1505  C   SER A 985     -10.459  -5.532 -23.291  1.00 28.85           C  
+ATOM   1506  O   SER A 985     -10.042  -6.208 -24.232  1.00 26.31           O  
+ATOM   1507  CB  SER A 985      -8.790  -5.131 -21.383  1.00 29.24           C  
+ATOM   1508  OG  SER A 985      -7.732  -5.139 -22.321  1.00 35.45           O  
+ATOM   1509  H   SER A 985      -8.961  -7.643 -21.363  1.00 25.72           H  
+ATOM   1510  HA  SER A 985     -10.850  -5.575 -21.193  1.00 25.55           H  
+ATOM   1511  HB3 SER A 985      -8.433  -5.515 -20.426  1.00 29.24           H  
+ATOM   1512  HB2 SER A 985      -9.055  -4.087 -21.216  1.00 29.24           H  
+ATOM   1513  HG  SER A 985      -7.282  -5.989 -22.278  1.00 35.45           H  
+ATOM   1514  N   LEU A 986     -11.228  -4.439 -23.428  1.00 27.52           N  
+ATOM   1515  CA  LEU A 986     -11.598  -3.840 -24.714  1.00 27.90           C  
+ATOM   1516  C   LEU A 986     -10.386  -3.309 -25.502  1.00 31.20           C  
+ATOM   1517  O   LEU A 986     -10.448  -3.286 -26.730  1.00 30.54           O  
+ATOM   1518  CB  LEU A 986     -12.637  -2.718 -24.487  1.00 27.75           C  
+ATOM   1519  CG  LEU A 986     -14.060  -3.219 -24.159  1.00 32.92           C  
+ATOM   1520  CD1 LEU A 986     -14.973  -2.037 -23.797  1.00 33.36           C  
+ATOM   1521  CD2 LEU A 986     -14.679  -4.057 -25.297  1.00 36.70           C  
+ATOM   1522  H   LEU A 986     -11.540  -3.944 -22.602  1.00 27.52           H  
+ATOM   1523  HA  LEU A 986     -12.046  -4.621 -25.327  1.00 27.90           H  
+ATOM   1524  HB3 LEU A 986     -12.702  -2.085 -25.373  1.00 27.75           H  
+ATOM   1525  HB2 LEU A 986     -12.282  -2.062 -23.691  1.00 27.75           H  
+ATOM   1526  HG  LEU A 986     -13.994  -3.851 -23.272  1.00 32.92           H  
+ATOM   1527 HD11 LEU A 986     -15.739  -2.343 -23.090  1.00 33.36           H  
+ATOM   1528 HD12 LEU A 986     -14.419  -1.222 -23.332  1.00 33.36           H  
+ATOM   1529 HD13 LEU A 986     -15.484  -1.636 -24.673  1.00 33.36           H  
+ATOM   1530 HD21 LEU A 986     -15.742  -3.854 -25.423  1.00 36.70           H  
+ATOM   1531 HD22 LEU A 986     -14.198  -3.861 -26.254  1.00 36.70           H  
+ATOM   1532 HD23 LEU A 986     -14.579  -5.123 -25.096  1.00 36.70           H  
+ATOM   1533  N   ARG A 987      -9.299  -2.939 -24.799  1.00 29.06           N  
+ATOM   1534  CA  ARG A 987      -8.031  -2.534 -25.405  1.00 29.96           C  
+ATOM   1535  C   ARG A 987      -7.305  -3.677 -26.136  1.00 34.81           C  
+ATOM   1536  O   ARG A 987      -6.700  -3.423 -27.176  1.00 34.10           O  
+ATOM   1537  CB  ARG A 987      -7.144  -1.844 -24.353  1.00 32.11           C  
+ATOM   1538  CG  ARG A 987      -5.886  -1.185 -24.945  1.00 46.98           C  
+ATOM   1539  CD  ARG A 987      -5.087  -0.402 -23.897  1.00 59.29           C  
+ATOM   1540  NE  ARG A 987      -3.815   0.102 -24.438  1.00 65.62           N  
+ATOM   1541  CZ  ARG A 987      -2.644  -0.558 -24.501  1.00 80.85           C  
+ATOM   1542  NH1 ARG A 987      -1.580   0.060 -25.029  1.00 71.30           N  
+ATOM   1543  NH2 ARG A 987      -2.503  -1.814 -24.049  1.00 64.23           N1+
+ATOM   1544  H   ARG A 987      -9.322  -2.985 -23.790  1.00 29.06           H  
+ATOM   1545  HA  ARG A 987      -8.274  -1.789 -26.153  1.00 29.96           H  
+ATOM   1546  HB3 ARG A 987      -6.854  -2.564 -23.587  1.00 32.11           H  
+ATOM   1547  HB2 ARG A 987      -7.727  -1.075 -23.848  1.00 32.11           H  
+ATOM   1548  HG3 ARG A 987      -6.246  -0.472 -25.688  1.00 46.98           H  
+ATOM   1549  HG2 ARG A 987      -5.247  -1.885 -25.485  1.00 46.98           H  
+ATOM   1550  HD3 ARG A 987      -4.975  -0.950 -22.962  1.00 59.29           H  
+ATOM   1551  HD2 ARG A 987      -5.647   0.501 -23.661  1.00 59.29           H  
+ATOM   1552  HE  ARG A 987      -3.863   1.026 -24.844  1.00 65.62           H  
+ATOM   1553 HH12 ARG A 987      -0.689  -0.418 -25.076  1.00 71.30           H  
+ATOM   1554 HH11 ARG A 987      -1.659   0.996 -25.400  1.00 71.30           H  
+ATOM   1555 HH22 ARG A 987      -1.604  -2.276 -24.094  1.00 64.23           H  
+ATOM   1556 HH21 ARG A 987      -3.304  -2.326 -23.705  1.00 64.23           H  
+ATOM   1557  N   ASP A 988      -7.402  -4.903 -25.597  1.00 32.33           N  
+ATOM   1558  CA  ASP A 988      -6.834  -6.117 -26.190  1.00 32.03           C  
+ATOM   1559  C   ASP A 988      -7.784  -6.764 -27.211  1.00 34.79           C  
+ATOM   1560  O   ASP A 988      -7.300  -7.367 -28.168  1.00 33.45           O  
+ATOM   1561  CB  ASP A 988      -6.426  -7.165 -25.122  1.00 34.09           C  
+ATOM   1562  CG  ASP A 988      -5.434  -6.685 -24.045  1.00 50.64           C  
+ATOM   1563  OD1 ASP A 988      -4.634  -5.762 -24.323  1.00 52.94           O  
+ATOM   1564  OD2 ASP A 988      -5.411  -7.344 -22.982  1.00 55.56           O1-
+ATOM   1565  H   ASP A 988      -7.904  -5.025 -24.728  1.00 32.33           H  
+ATOM   1566  HA  ASP A 988      -5.932  -5.841 -26.740  1.00 32.03           H  
+ATOM   1567  HB3 ASP A 988      -5.979  -8.033 -25.609  1.00 34.09           H  
+ATOM   1568  HB2 ASP A 988      -7.325  -7.517 -24.611  1.00 34.09           H  
+ATOM   1569  N   TYR A 989      -9.105  -6.643 -26.997  1.00 30.87           N  
+ATOM   1570  CA  TYR A 989     -10.126  -7.300 -27.808  1.00 30.93           C  
+ATOM   1571  C   TYR A 989     -10.392  -6.578 -29.141  1.00 31.61           C  
+ATOM   1572  O   TYR A 989     -10.306  -7.225 -30.184  1.00 30.88           O  
+ATOM   1573  CB  TYR A 989     -11.405  -7.491 -26.966  1.00 32.58           C  
+ATOM   1574  CG  TYR A 989     -12.504  -8.294 -27.641  1.00 35.88           C  
+ATOM   1575  CD1 TYR A 989     -12.527  -9.699 -27.524  1.00 38.76           C  
+ATOM   1576  CD2 TYR A 989     -13.507  -7.639 -28.383  1.00 37.33           C  
+ATOM   1577  CE1 TYR A 989     -13.550 -10.444 -28.141  1.00 41.81           C  
+ATOM   1578  CE2 TYR A 989     -14.528  -8.383 -29.004  1.00 39.43           C  
+ATOM   1579  CZ  TYR A 989     -14.552  -9.787 -28.882  1.00 47.08           C  
+ATOM   1580  OH  TYR A 989     -15.543 -10.509 -29.480  1.00 54.57           O  
+ATOM   1581  H   TYR A 989      -9.431  -6.155 -26.173  1.00 30.87           H  
+ATOM   1582  HA  TYR A 989      -9.762  -8.301 -28.051  1.00 30.93           H  
+ATOM   1583  HB3 TYR A 989     -11.809  -6.523 -26.670  1.00 32.58           H  
+ATOM   1584  HB2 TYR A 989     -11.153  -8.001 -26.035  1.00 32.58           H  
+ATOM   1585  HD1 TYR A 989     -11.762 -10.210 -26.956  1.00 38.76           H  
+ATOM   1586  HD2 TYR A 989     -13.492  -6.565 -28.479  1.00 37.33           H  
+ATOM   1587  HE1 TYR A 989     -13.564 -11.520 -28.047  1.00 41.81           H  
+ATOM   1588  HE2 TYR A 989     -15.288  -7.871 -29.571  1.00 39.43           H  
+ATOM   1589  HH  TYR A 989     -16.172  -9.966 -29.959  1.00 54.57           H  
+ATOM   1590  N   LEU A 990     -10.714  -5.271 -29.094  1.00 26.64           N  
+ATOM   1591  CA  LEU A 990     -11.173  -4.497 -30.256  1.00 26.55           C  
+ATOM   1592  C   LEU A 990     -10.206  -4.345 -31.458  1.00 32.26           C  
+ATOM   1593  O   LEU A 990     -10.721  -4.284 -32.575  1.00 32.40           O  
+ATOM   1594  CB  LEU A 990     -11.722  -3.113 -29.835  1.00 25.29           C  
+ATOM   1595  CG  LEU A 990     -12.966  -3.133 -28.922  1.00 28.64           C  
+ATOM   1596  CD1 LEU A 990     -13.275  -1.717 -28.403  1.00 28.39           C  
+ATOM   1597  CD2 LEU A 990     -14.198  -3.748 -29.615  1.00 27.70           C  
+ATOM   1598  H   LEU A 990     -10.722  -4.786 -28.206  1.00 26.64           H  
+ATOM   1599  HA  LEU A 990     -12.012  -5.070 -30.653  1.00 26.55           H  
+ATOM   1600  HB3 LEU A 990     -11.972  -2.536 -30.727  1.00 25.29           H  
+ATOM   1601  HB2 LEU A 990     -10.926  -2.557 -29.339  1.00 25.29           H  
+ATOM   1602  HG  LEU A 990     -12.740  -3.751 -28.053  1.00 28.64           H  
+ATOM   1603 HD11 LEU A 990     -14.298  -1.629 -28.037  1.00 28.39           H  
+ATOM   1604 HD12 LEU A 990     -12.614  -1.456 -27.579  1.00 28.39           H  
+ATOM   1605 HD13 LEU A 990     -13.137  -0.966 -29.181  1.00 28.39           H  
+ATOM   1606 HD21 LEU A 990     -15.053  -3.075 -29.613  1.00 27.70           H  
+ATOM   1607 HD22 LEU A 990     -14.007  -4.000 -30.658  1.00 27.70           H  
+ATOM   1608 HD23 LEU A 990     -14.515  -4.658 -29.108  1.00 27.70           H  
+ATOM   1609  N   PRO A 991      -8.861  -4.356 -31.276  1.00 29.17           N  
+ATOM   1610  CA  PRO A 991      -7.921  -4.370 -32.418  1.00 30.32           C  
+ATOM   1611  C   PRO A 991      -7.930  -5.651 -33.277  1.00 37.04           C  
+ATOM   1612  O   PRO A 991      -7.518  -5.583 -34.433  1.00 39.83           O  
+ATOM   1613  CB  PRO A 991      -6.542  -4.131 -31.778  1.00 31.53           C  
+ATOM   1614  CG  PRO A 991      -6.847  -3.431 -30.468  1.00 34.07           C  
+ATOM   1615  CD  PRO A 991      -8.141  -4.101 -30.029  1.00 29.12           C  
+ATOM   1616  HA  PRO A 991      -8.165  -3.517 -33.053  1.00 30.32           H  
+ATOM   1617  HB3 PRO A 991      -5.882  -3.542 -32.415  1.00 31.53           H  
+ATOM   1618  HB2 PRO A 991      -6.041  -5.078 -31.569  1.00 31.53           H  
+ATOM   1619  HG3 PRO A 991      -7.029  -2.372 -30.654  1.00 34.07           H  
+ATOM   1620  HG2 PRO A 991      -6.040  -3.512 -29.739  1.00 34.07           H  
+ATOM   1621  HD2 PRO A 991      -7.920  -5.053 -29.550  1.00 29.12           H  
+ATOM   1622  HD3 PRO A 991      -8.689  -3.477 -29.324  1.00 29.12           H  
+ATOM   1623  N   ARG A 992      -8.393  -6.776 -32.704  1.00 33.12           N  
+ATOM   1624  CA  ARG A 992      -8.484  -8.080 -33.367  1.00 35.22           C  
+ATOM   1625  C   ARG A 992      -9.932  -8.473 -33.715  1.00 42.35           C  
+ATOM   1626  O   ARG A 992     -10.108  -9.451 -34.442  1.00 43.35           O  
+ATOM   1627  CB  ARG A 992      -7.844  -9.145 -32.449  1.00 36.79           C  
+ATOM   1628  CG  ARG A 992      -6.319  -8.989 -32.271  1.00 49.00           C  
+ATOM   1629  CD  ARG A 992      -5.892  -8.579 -30.852  1.00 65.39           C  
+ATOM   1630  NE  ARG A 992      -4.426  -8.624 -30.703  1.00 83.52           N  
+ATOM   1631  CZ  ARG A 992      -3.694  -8.253 -29.634  1.00101.34           C  
+ATOM   1632  NH1 ARG A 992      -4.252  -7.758 -28.520  1.00 87.97           N  
+ATOM   1633  NH2 ARG A 992      -2.362  -8.383 -29.686  1.00 90.05           N1+
+ATOM   1634  H   ARG A 992      -8.718  -6.745 -31.748  1.00 33.12           H  
+ATOM   1635  HA  ARG A 992      -7.937  -8.070 -34.311  1.00 35.22           H  
+ATOM   1636  HB3 ARG A 992      -8.019 -10.135 -32.874  1.00 36.79           H  
+ATOM   1637  HB2 ARG A 992      -8.347  -9.156 -31.481  1.00 36.79           H  
+ATOM   1638  HG3 ARG A 992      -5.984  -8.211 -32.959  1.00 49.00           H  
+ATOM   1639  HG2 ARG A 992      -5.795  -9.891 -32.591  1.00 49.00           H  
+ATOM   1640  HD3 ARG A 992      -6.405  -9.162 -30.086  1.00 65.39           H  
+ATOM   1641  HD2 ARG A 992      -6.173  -7.536 -30.702  1.00 65.39           H  
+ATOM   1642  HE  ARG A 992      -3.930  -8.982 -31.506  1.00 83.52           H  
+ATOM   1643 HH12 ARG A 992      -3.685  -7.485 -27.730  1.00 87.97           H  
+ATOM   1644 HH11 ARG A 992      -5.258  -7.657 -28.465  1.00 87.97           H  
+ATOM   1645 HH22 ARG A 992      -1.792  -8.114 -28.898  1.00 90.05           H  
+ATOM   1646 HH21 ARG A 992      -1.915  -8.753 -30.512  1.00 90.05           H  
+ATOM   1647  N   HIS A 993     -10.932  -7.735 -33.203  1.00 39.31           N  
+ATOM   1648  CA  HIS A 993     -12.354  -8.027 -33.380  1.00 40.02           C  
+ATOM   1649  C   HIS A 993     -13.077  -6.733 -33.769  1.00 44.39           C  
+ATOM   1650  O   HIS A 993     -13.261  -5.861 -32.921  1.00 42.90           O  
+ATOM   1651  CB  HIS A 993     -12.939  -8.635 -32.086  1.00 40.24           C  
+ATOM   1652  CG  HIS A 993     -12.283  -9.912 -31.615  1.00 43.95           C  
+ATOM   1653  ND1 HIS A 993     -11.177  -9.920 -30.785  1.00 44.82           N  
+ATOM   1654  CD2 HIS A 993     -12.590 -11.239 -31.827  1.00 46.86           C  
+ATOM   1655  CE1 HIS A 993     -10.860 -11.194 -30.550  1.00 45.15           C  
+ATOM   1656  NE2 HIS A 993     -11.676 -12.052 -31.151  1.00 46.64           N  
+ATOM   1657  H   HIS A 993     -10.715  -6.931 -32.630  1.00 39.31           H  
+ATOM   1658  HA  HIS A 993     -12.499  -8.751 -34.185  1.00 40.02           H  
+ATOM   1659  HB3 HIS A 993     -14.003  -8.834 -32.218  1.00 40.24           H  
+ATOM   1660  HB2 HIS A 993     -12.867  -7.911 -31.273  1.00 40.24           H  
+ATOM   1661  HD1 HIS A 993     -10.700  -9.100 -30.428  1.00 44.82           H  
+ATOM   1662  HD2 HIS A 993     -13.392 -11.668 -32.409  1.00 46.86           H  
+ATOM   1663  HE1 HIS A 993     -10.029 -11.498 -29.930  1.00 45.15           H  
+ATOM   1664  N   SER A 994     -13.469  -6.637 -35.050  1.00 43.61           N  
+ATOM   1665  CA  SER A 994     -14.216  -5.517 -35.622  1.00 44.09           C  
+ATOM   1666  C   SER A 994     -15.692  -5.529 -35.171  1.00 48.55           C  
+ATOM   1667  O   SER A 994     -16.531  -6.169 -35.806  1.00 49.91           O  
+ATOM   1668  CB  SER A 994     -14.025  -5.525 -37.157  1.00 50.40           C  
+ATOM   1669  OG  SER A 994     -14.546  -6.689 -37.773  1.00 64.99           O  
+ATOM   1670  H   SER A 994     -13.274  -7.396 -35.688  1.00 43.61           H  
+ATOM   1671  HA  SER A 994     -13.766  -4.592 -35.256  1.00 44.09           H  
+ATOM   1672  HB3 SER A 994     -12.967  -5.443 -37.407  1.00 50.40           H  
+ATOM   1673  HB2 SER A 994     -14.515  -4.656 -37.598  1.00 50.40           H  
+ATOM   1674  HG  SER A 994     -15.491  -6.725 -37.595  1.00 64.99           H  
+ATOM   1675  N   ILE A 995     -15.968  -4.829 -34.059  1.00 42.04           N  
+ATOM   1676  CA  ILE A 995     -17.297  -4.716 -33.460  1.00 40.91           C  
+ATOM   1677  C   ILE A 995     -18.068  -3.524 -34.065  1.00 43.90           C  
+ATOM   1678  O   ILE A 995     -17.487  -2.458 -34.267  1.00 43.46           O  
+ATOM   1679  CB  ILE A 995     -17.190  -4.557 -31.912  1.00 42.36           C  
+ATOM   1680  CG1 ILE A 995     -16.542  -5.795 -31.244  1.00 42.65           C  
+ATOM   1681  CG2 ILE A 995     -18.522  -4.231 -31.212  1.00 41.71           C  
+ATOM   1682  CD1 ILE A 995     -17.248  -7.138 -31.504  1.00 43.19           C  
+ATOM   1683  H   ILE A 995     -15.221  -4.351 -33.577  1.00 42.04           H  
+ATOM   1684  HA  ILE A 995     -17.863  -5.621 -33.683  1.00 40.91           H  
+ATOM   1685  HB  ILE A 995     -16.523  -3.717 -31.712  1.00 42.36           H  
+ATOM   1686 HG13 ILE A 995     -16.477  -5.632 -30.168  1.00 42.65           H  
+ATOM   1687 HG12 ILE A 995     -15.509  -5.883 -31.577  1.00 42.65           H  
+ATOM   1688 HG21 ILE A 995     -18.425  -4.265 -30.128  1.00 41.71           H  
+ATOM   1689 HG22 ILE A 995     -18.885  -3.237 -31.458  1.00 41.71           H  
+ATOM   1690 HG23 ILE A 995     -19.291  -4.943 -31.502  1.00 41.71           H  
+ATOM   1691 HD11 ILE A 995     -16.665  -7.755 -32.189  1.00 43.19           H  
+ATOM   1692 HD12 ILE A 995     -17.371  -7.700 -30.579  1.00 43.19           H  
+ATOM   1693 HD13 ILE A 995     -18.240  -7.017 -31.937  1.00 43.19           H  
+ATOM   1694  N   GLY A 996     -19.367  -3.741 -34.340  1.00 39.60           N  
+ATOM   1695  CA  GLY A 996     -20.266  -2.770 -34.968  1.00 39.64           C  
+ATOM   1696  C   GLY A 996     -20.586  -1.587 -34.042  1.00 40.81           C  
+ATOM   1697  O   GLY A 996     -20.512  -1.702 -32.819  1.00 40.20           O  
+ATOM   1698  H   GLY A 996     -19.762  -4.647 -34.131  1.00 39.60           H  
+ATOM   1699  HA3 GLY A 996     -21.197  -3.274 -35.230  1.00 39.64           H  
+ATOM   1700  HA2 GLY A 996     -19.822  -2.411 -35.899  1.00 39.64           H  
+ATOM   1701  N   LEU A 997     -20.971  -0.455 -34.657  1.00 36.29           N  
+ATOM   1702  CA  LEU A 997     -21.246   0.842 -34.027  1.00 34.21           C  
+ATOM   1703  C   LEU A 997     -22.253   0.794 -32.862  1.00 36.59           C  
+ATOM   1704  O   LEU A 997     -21.971   1.364 -31.810  1.00 34.53           O  
+ATOM   1705  CB  LEU A 997     -21.668   1.839 -35.136  1.00 34.53           C  
+ATOM   1706  CG  LEU A 997     -22.085   3.257 -34.679  1.00 38.00           C  
+ATOM   1707  CD1 LEU A 997     -21.003   3.953 -33.830  1.00 36.32           C  
+ATOM   1708  CD2 LEU A 997     -22.516   4.117 -35.882  1.00 39.98           C  
+ATOM   1709  H   LEU A 997     -21.022  -0.454 -35.665  1.00 36.29           H  
+ATOM   1710  HA  LEU A 997     -20.296   1.180 -33.607  1.00 34.21           H  
+ATOM   1711  HB3 LEU A 997     -22.498   1.403 -35.694  1.00 34.53           H  
+ATOM   1712  HB2 LEU A 997     -20.848   1.931 -35.850  1.00 34.53           H  
+ATOM   1713  HG  LEU A 997     -22.979   3.156 -34.066  1.00 38.00           H  
+ATOM   1714 HD11 LEU A 997     -20.907   5.011 -34.068  1.00 36.32           H  
+ATOM   1715 HD12 LEU A 997     -21.240   3.892 -32.768  1.00 36.32           H  
+ATOM   1716 HD13 LEU A 997     -20.023   3.501 -33.975  1.00 36.32           H  
+ATOM   1717 HD21 LEU A 997     -23.382   4.730 -35.631  1.00 39.98           H  
+ATOM   1718 HD22 LEU A 997     -21.722   4.787 -36.212  1.00 39.98           H  
+ATOM   1719 HD23 LEU A 997     -22.792   3.508 -36.743  1.00 39.98           H  
+ATOM   1720  N   ALA A 998     -23.385   0.097 -33.056  1.00 34.25           N  
+ATOM   1721  CA  ALA A 998     -24.436  -0.068 -32.048  1.00 34.26           C  
+ATOM   1722  C   ALA A 998     -23.978  -0.828 -30.795  1.00 36.18           C  
+ATOM   1723  O   ALA A 998     -24.412  -0.489 -29.697  1.00 35.22           O  
+ATOM   1724  CB  ALA A 998     -25.620  -0.800 -32.683  1.00 36.52           C  
+ATOM   1725  H   ALA A 998     -23.545  -0.352 -33.946  1.00 34.25           H  
+ATOM   1726  HA  ALA A 998     -24.766   0.928 -31.746  1.00 34.26           H  
+ATOM   1727  HB1 ALA A 998     -26.494  -0.773 -32.032  1.00 36.52           H  
+ATOM   1728  HB2 ALA A 998     -25.891  -0.332 -33.625  1.00 36.52           H  
+ATOM   1729  HB3 ALA A 998     -25.390  -1.845 -32.895  1.00 36.52           H  
+ATOM   1730  N   GLN A 999     -23.104  -1.828 -30.986  1.00 32.90           N  
+ATOM   1731  CA  GLN A 999     -22.554  -2.672 -29.930  1.00 31.66           C  
+ATOM   1732  C   GLN A 999     -21.449  -1.961 -29.118  1.00 31.83           C  
+ATOM   1733  O   GLN A 999     -21.312  -2.260 -27.934  1.00 31.42           O  
+ATOM   1734  CB  GLN A 999     -22.123  -4.001 -30.581  1.00 33.78           C  
+ATOM   1735  CG  GLN A 999     -21.631  -5.094 -29.613  1.00 53.37           C  
+ATOM   1736  CD  GLN A 999     -21.398  -6.430 -30.329  1.00 79.04           C  
+ATOM   1737  OE1 GLN A 999     -22.196  -6.847 -31.167  1.00 77.41           O  
+ATOM   1738  NE2 GLN A 999     -20.311  -7.123 -29.988  1.00 70.04           N  
+ATOM   1739  H   GLN A 999     -22.774  -2.022 -31.921  1.00 32.90           H  
+ATOM   1740  HA  GLN A 999     -23.363  -2.901 -29.234  1.00 31.66           H  
+ATOM   1741  HB3 GLN A 999     -21.362  -3.808 -31.337  1.00 33.78           H  
+ATOM   1742  HB2 GLN A 999     -22.986  -4.387 -31.127  1.00 33.78           H  
+ATOM   1743  HG3 GLN A 999     -22.370  -5.254 -28.827  1.00 53.37           H  
+ATOM   1744  HG2 GLN A 999     -20.713  -4.776 -29.118  1.00 53.37           H  
+ATOM   1745 HE22 GLN A 999     -20.124  -8.015 -30.423  1.00 70.04           H  
+ATOM   1746 HE21 GLN A 999     -19.688  -6.775 -29.275  1.00 70.04           H  
+ATOM   1747  N   LEU A1000     -20.745  -0.987 -29.728  1.00 27.73           N  
+ATOM   1748  CA  LEU A1000     -19.837  -0.058 -29.039  1.00 27.15           C  
+ATOM   1749  C   LEU A1000     -20.602   0.962 -28.173  1.00 30.03           C  
+ATOM   1750  O   LEU A1000     -20.128   1.298 -27.089  1.00 28.40           O  
+ATOM   1751  CB  LEU A1000     -18.941   0.687 -30.057  1.00 27.39           C  
+ATOM   1752  CG  LEU A1000     -17.983  -0.213 -30.868  1.00 31.72           C  
+ATOM   1753  CD1 LEU A1000     -17.356   0.561 -32.047  1.00 31.24           C  
+ATOM   1754  CD2 LEU A1000     -16.931  -0.905 -29.974  1.00 32.46           C  
+ATOM   1755  H   LEU A1000     -20.898  -0.808 -30.711  1.00 27.73           H  
+ATOM   1756  HA  LEU A1000     -19.203  -0.639 -28.368  1.00 27.15           H  
+ATOM   1757  HB3 LEU A1000     -18.349   1.446 -29.542  1.00 27.39           H  
+ATOM   1758  HB2 LEU A1000     -19.579   1.236 -30.750  1.00 27.39           H  
+ATOM   1759  HG  LEU A1000     -18.575  -1.004 -31.319  1.00 31.72           H  
+ATOM   1760 HD11 LEU A1000     -16.276   0.440 -32.110  1.00 31.24           H  
+ATOM   1761 HD12 LEU A1000     -17.766   0.211 -32.995  1.00 31.24           H  
+ATOM   1762 HD13 LEU A1000     -17.553   1.632 -31.987  1.00 31.24           H  
+ATOM   1763 HD21 LEU A1000     -15.915  -0.808 -30.355  1.00 32.46           H  
+ATOM   1764 HD22 LEU A1000     -16.927  -0.508 -28.959  1.00 32.46           H  
+ATOM   1765 HD23 LEU A1000     -17.143  -1.971 -29.895  1.00 32.46           H  
+ATOM   1766  N   LEU A1001     -21.777   1.412 -28.649  1.00 27.18           N  
+ATOM   1767  CA  LEU A1001     -22.686   2.307 -27.925  1.00 26.38           C  
+ATOM   1768  C   LEU A1001     -23.438   1.597 -26.784  1.00 30.80           C  
+ATOM   1769  O   LEU A1001     -23.825   2.267 -25.828  1.00 31.19           O  
+ATOM   1770  CB  LEU A1001     -23.676   2.954 -28.917  1.00 26.55           C  
+ATOM   1771  CG  LEU A1001     -23.013   3.926 -29.918  1.00 30.43           C  
+ATOM   1772  CD1 LEU A1001     -23.952   4.207 -31.106  1.00 31.54           C  
+ATOM   1773  CD2 LEU A1001     -22.506   5.215 -29.233  1.00 29.53           C  
+ATOM   1774  H   LEU A1001     -22.089   1.106 -29.561  1.00 27.18           H  
+ATOM   1775  HA  LEU A1001     -22.089   3.096 -27.466  1.00 26.38           H  
+ATOM   1776  HB3 LEU A1001     -24.463   3.486 -28.377  1.00 26.55           H  
+ATOM   1777  HB2 LEU A1001     -24.185   2.161 -29.465  1.00 26.55           H  
+ATOM   1778  HG  LEU A1001     -22.132   3.441 -30.337  1.00 30.43           H  
+ATOM   1779 HD11 LEU A1001     -23.983   5.260 -31.385  1.00 31.54           H  
+ATOM   1780 HD12 LEU A1001     -23.629   3.658 -31.987  1.00 31.54           H  
+ATOM   1781 HD13 LEU A1001     -24.976   3.893 -30.899  1.00 31.54           H  
+ATOM   1782 HD21 LEU A1001     -22.841   6.124 -29.733  1.00 29.53           H  
+ATOM   1783 HD22 LEU A1001     -22.836   5.285 -28.197  1.00 29.53           H  
+ATOM   1784 HD23 LEU A1001     -21.416   5.244 -29.226  1.00 29.53           H  
+ATOM   1785  N   LEU A1002     -23.591   0.263 -26.876  1.00 28.48           N  
+ATOM   1786  CA  LEU A1002     -24.093  -0.583 -25.794  1.00 29.15           C  
+ATOM   1787  C   LEU A1002     -23.051  -0.738 -24.674  1.00 32.78           C  
+ATOM   1788  O   LEU A1002     -23.434  -0.689 -23.510  1.00 33.09           O  
+ATOM   1789  CB  LEU A1002     -24.539  -1.949 -26.358  1.00 30.13           C  
+ATOM   1790  CG  LEU A1002     -25.242  -2.886 -25.347  1.00 35.32           C  
+ATOM   1791  CD1 LEU A1002     -26.517  -2.256 -24.743  1.00 35.94           C  
+ATOM   1792  CD2 LEU A1002     -25.516  -4.263 -25.983  1.00 37.39           C  
+ATOM   1793  H   LEU A1002     -23.275  -0.216 -27.707  1.00 28.48           H  
+ATOM   1794  HA  LEU A1002     -24.965  -0.081 -25.371  1.00 29.15           H  
+ATOM   1795  HB3 LEU A1002     -23.668  -2.461 -26.767  1.00 30.13           H  
+ATOM   1796  HB2 LEU A1002     -25.205  -1.783 -27.204  1.00 30.13           H  
+ATOM   1797  HG  LEU A1002     -24.552  -3.073 -24.523  1.00 35.32           H  
+ATOM   1798 HD11 LEU A1002     -27.342  -2.964 -24.668  1.00 35.94           H  
+ATOM   1799 HD12 LEU A1002     -26.322  -1.889 -23.735  1.00 35.94           H  
+ATOM   1800 HD13 LEU A1002     -26.876  -1.412 -25.332  1.00 35.94           H  
+ATOM   1801 HD21 LEU A1002     -25.099  -5.062 -25.370  1.00 37.39           H  
+ATOM   1802 HD22 LEU A1002     -26.580  -4.467 -26.107  1.00 37.39           H  
+ATOM   1803 HD23 LEU A1002     -25.064  -4.344 -26.972  1.00 37.39           H  
+ATOM   1804  N   PHE A1003     -21.759  -0.868 -25.028  1.00 28.23           N  
+ATOM   1805  CA  PHE A1003     -20.655  -0.875 -24.062  1.00 28.18           C  
+ATOM   1806  C   PHE A1003     -20.511   0.476 -23.342  1.00 29.97           C  
+ATOM   1807  O   PHE A1003     -20.259   0.479 -22.141  1.00 28.15           O  
+ATOM   1808  CB  PHE A1003     -19.325  -1.258 -24.746  1.00 29.26           C  
+ATOM   1809  CG  PHE A1003     -19.279  -2.592 -25.474  1.00 30.64           C  
+ATOM   1810  CD1 PHE A1003     -20.025  -3.708 -25.030  1.00 35.83           C  
+ATOM   1811  CD2 PHE A1003     -18.351  -2.769 -26.524  1.00 32.41           C  
+ATOM   1812  CE1 PHE A1003     -19.912  -4.923 -25.689  1.00 37.36           C  
+ATOM   1813  CE2 PHE A1003     -18.249  -3.994 -27.166  1.00 35.63           C  
+ATOM   1814  CZ  PHE A1003     -19.041  -5.060 -26.763  1.00 35.58           C  
+ATOM   1815  H   PHE A1003     -21.505  -0.929 -26.005  1.00 28.23           H  
+ATOM   1816  HA  PHE A1003     -20.880  -1.619 -23.295  1.00 28.18           H  
+ATOM   1817  HB3 PHE A1003     -18.523  -1.259 -24.006  1.00 29.26           H  
+ATOM   1818  HB2 PHE A1003     -19.059  -0.483 -25.466  1.00 29.26           H  
+ATOM   1819  HD1 PHE A1003     -20.700  -3.633 -24.191  1.00 35.83           H  
+ATOM   1820  HD2 PHE A1003     -17.725  -1.947 -26.840  1.00 32.41           H  
+ATOM   1821  HE1 PHE A1003     -20.497  -5.766 -25.354  1.00 37.36           H  
+ATOM   1822  HE2 PHE A1003     -17.547  -4.117 -27.977  1.00 35.63           H  
+ATOM   1823  HZ  PHE A1003     -18.959  -6.011 -27.269  1.00 35.58           H  
+ATOM   1824  N   ALA A1004     -20.731   1.584 -24.072  1.00 26.49           N  
+ATOM   1825  CA  ALA A1004     -20.755   2.950 -23.546  1.00 26.36           C  
+ATOM   1826  C   ALA A1004     -21.889   3.188 -22.534  1.00 28.13           C  
+ATOM   1827  O   ALA A1004     -21.646   3.813 -21.503  1.00 27.39           O  
+ATOM   1828  CB  ALA A1004     -20.866   3.934 -24.717  1.00 27.23           C  
+ATOM   1829  H   ALA A1004     -20.921   1.490 -25.061  1.00 26.49           H  
+ATOM   1830  HA  ALA A1004     -19.802   3.121 -23.044  1.00 26.36           H  
+ATOM   1831  HB1 ALA A1004     -20.669   4.955 -24.388  1.00 27.23           H  
+ATOM   1832  HB2 ALA A1004     -20.149   3.690 -25.500  1.00 27.23           H  
+ATOM   1833  HB3 ALA A1004     -21.858   3.924 -25.167  1.00 27.23           H  
+ATOM   1834  N   GLN A1005     -23.086   2.653 -22.836  1.00 24.98           N  
+ATOM   1835  CA  GLN A1005     -24.260   2.646 -21.962  1.00 26.13           C  
+ATOM   1836  C   GLN A1005     -24.000   1.861 -20.664  1.00 30.14           C  
+ATOM   1837  O   GLN A1005     -24.277   2.381 -19.588  1.00 29.23           O  
+ATOM   1838  CB  GLN A1005     -25.457   2.061 -22.743  1.00 27.37           C  
+ATOM   1839  CG  GLN A1005     -26.795   2.043 -21.977  1.00 34.59           C  
+ATOM   1840  CD  GLN A1005     -27.754   1.004 -22.560  1.00 45.52           C  
+ATOM   1841  OE1 GLN A1005     -28.047   1.022 -23.754  1.00 37.97           O  
+ATOM   1842  NE2 GLN A1005     -28.257   0.103 -21.715  1.00 40.39           N  
+ATOM   1843  H   GLN A1005     -23.197   2.173 -23.719  1.00 24.98           H  
+ATOM   1844  HA  GLN A1005     -24.491   3.679 -21.697  1.00 26.13           H  
+ATOM   1845  HB3 GLN A1005     -25.207   1.045 -23.045  1.00 27.37           H  
+ATOM   1846  HB2 GLN A1005     -25.597   2.607 -23.676  1.00 27.37           H  
+ATOM   1847  HG3 GLN A1005     -27.254   3.031 -22.015  1.00 34.59           H  
+ATOM   1848  HG2 GLN A1005     -26.655   1.816 -20.921  1.00 34.59           H  
+ATOM   1849 HE22 GLN A1005     -28.891  -0.608 -22.048  1.00 40.39           H  
+ATOM   1850 HE21 GLN A1005     -27.972   0.095 -20.742  1.00 40.39           H  
+ATOM   1851  N   GLN A1006     -23.463   0.637 -20.801  1.00 27.56           N  
+ATOM   1852  CA  GLN A1006     -23.149  -0.280 -19.705  1.00 27.14           C  
+ATOM   1853  C   GLN A1006     -22.047   0.229 -18.763  1.00 28.50           C  
+ATOM   1854  O   GLN A1006     -22.162   0.026 -17.555  1.00 29.35           O  
+ATOM   1855  CB  GLN A1006     -22.827  -1.668 -20.285  1.00 28.20           C  
+ATOM   1856  CG  GLN A1006     -24.079  -2.365 -20.858  1.00 30.44           C  
+ATOM   1857  CD  GLN A1006     -23.782  -3.708 -21.527  1.00 43.69           C  
+ATOM   1858  OE1 GLN A1006     -22.651  -3.996 -21.917  1.00 40.01           O  
+ATOM   1859  NE2 GLN A1006     -24.818  -4.532 -21.686  1.00 39.19           N  
+ATOM   1860  H   GLN A1006     -23.282   0.283 -21.732  1.00 27.56           H  
+ATOM   1861  HA  GLN A1006     -24.051  -0.376 -19.098  1.00 27.14           H  
+ATOM   1862  HB3 GLN A1006     -22.390  -2.304 -19.514  1.00 28.20           H  
+ATOM   1863  HB2 GLN A1006     -22.065  -1.565 -21.060  1.00 28.20           H  
+ATOM   1864  HG3 GLN A1006     -24.582  -1.732 -21.586  1.00 30.44           H  
+ATOM   1865  HG2 GLN A1006     -24.811  -2.514 -20.067  1.00 30.44           H  
+ATOM   1866 HE22 GLN A1006     -24.692  -5.427 -22.143  1.00 39.19           H  
+ATOM   1867 HE21 GLN A1006     -25.736  -4.267 -21.356  1.00 39.19           H  
+ATOM   1868  N   ILE A1007     -21.046   0.945 -19.310  1.00 24.53           N  
+ATOM   1869  CA  ILE A1007     -20.058   1.701 -18.535  1.00 23.52           C  
+ATOM   1870  C   ILE A1007     -20.726   2.820 -17.711  1.00 26.94           C  
+ATOM   1871  O   ILE A1007     -20.409   2.944 -16.533  1.00 25.88           O  
+ATOM   1872  CB  ILE A1007     -18.926   2.306 -19.426  1.00 26.23           C  
+ATOM   1873  CG1 ILE A1007     -18.019   1.193 -20.000  1.00 26.44           C  
+ATOM   1874  CG2 ILE A1007     -18.037   3.371 -18.740  1.00 26.63           C  
+ATOM   1875  CD1 ILE A1007     -17.292   1.594 -21.295  1.00 29.19           C  
+ATOM   1876  H   ILE A1007     -21.001   1.051 -20.315  1.00 24.53           H  
+ATOM   1877  HA  ILE A1007     -19.596   1.006 -17.831  1.00 23.52           H  
+ATOM   1878  HB  ILE A1007     -19.417   2.795 -20.269  1.00 26.23           H  
+ATOM   1879 HG13 ILE A1007     -18.602   0.298 -20.198  1.00 26.44           H  
+ATOM   1880 HG12 ILE A1007     -17.290   0.891 -19.247  1.00 26.44           H  
+ATOM   1881 HG21 ILE A1007     -17.213   3.674 -19.386  1.00 26.63           H  
+ATOM   1882 HG22 ILE A1007     -18.587   4.279 -18.493  1.00 26.63           H  
+ATOM   1883 HG23 ILE A1007     -17.601   2.982 -17.819  1.00 26.63           H  
+ATOM   1884 HD11 ILE A1007     -17.110   0.724 -21.926  1.00 29.19           H  
+ATOM   1885 HD12 ILE A1007     -17.870   2.304 -21.886  1.00 29.19           H  
+ATOM   1886 HD13 ILE A1007     -16.329   2.054 -21.079  1.00 29.19           H  
+ATOM   1887  N   CYS A1008     -21.668   3.569 -18.315  1.00 24.96           N  
+ATOM   1888  CA  CYS A1008     -22.410   4.640 -17.643  1.00 26.23           C  
+ATOM   1889  C   CYS A1008     -23.338   4.140 -16.522  1.00 28.78           C  
+ATOM   1890  O   CYS A1008     -23.478   4.846 -15.526  1.00 27.82           O  
+ATOM   1891  CB  CYS A1008     -23.199   5.532 -18.621  1.00 27.44           C  
+ATOM   1892  SG  CYS A1008     -22.051   6.468 -19.659  1.00 31.30           S  
+ATOM   1893  H   CYS A1008     -21.895   3.404 -19.286  1.00 24.96           H  
+ATOM   1894  HA  CYS A1008     -21.660   5.257 -17.153  1.00 26.23           H  
+ATOM   1895  HB3 CYS A1008     -23.812   6.254 -18.081  1.00 27.44           H  
+ATOM   1896  HB2 CYS A1008     -23.867   4.949 -19.254  1.00 27.44           H  
+ATOM   1897  HG  CYS A1008     -21.637   5.425 -20.388  1.00 31.30           H  
+ATOM   1898  N   GLU A1009     -23.920   2.938 -16.675  1.00 27.13           N  
+ATOM   1899  CA  GLU A1009     -24.733   2.268 -15.657  1.00 27.79           C  
+ATOM   1900  C   GLU A1009     -23.912   1.783 -14.445  1.00 31.65           C  
+ATOM   1901  O   GLU A1009     -24.399   1.889 -13.319  1.00 32.67           O  
+ATOM   1902  CB  GLU A1009     -25.543   1.123 -16.306  1.00 29.33           C  
+ATOM   1903  CG  GLU A1009     -26.670   1.630 -17.233  1.00 35.16           C  
+ATOM   1904  CD  GLU A1009     -27.452   0.517 -17.939  1.00 58.21           C  
+ATOM   1905  OE1 GLU A1009     -26.841  -0.181 -18.778  1.00 48.70           O  
+ATOM   1906  OE2 GLU A1009     -28.669   0.409 -17.672  1.00 60.77           O1-
+ATOM   1907  H   GLU A1009     -23.784   2.431 -17.540  1.00 27.13           H  
+ATOM   1908  HA  GLU A1009     -25.446   2.996 -15.268  1.00 27.79           H  
+ATOM   1909  HB3 GLU A1009     -25.971   0.479 -15.537  1.00 29.33           H  
+ATOM   1910  HB2 GLU A1009     -24.863   0.498 -16.884  1.00 29.33           H  
+ATOM   1911  HG3 GLU A1009     -26.258   2.273 -18.007  1.00 35.16           H  
+ATOM   1912  HG2 GLU A1009     -27.358   2.252 -16.659  1.00 35.16           H  
+ATOM   1913  N   GLY A1010     -22.678   1.302 -14.684  1.00 27.84           N  
+ATOM   1914  CA  GLY A1010     -21.757   0.860 -13.634  1.00 27.29           C  
+ATOM   1915  C   GLY A1010     -21.100   2.051 -12.916  1.00 30.56           C  
+ATOM   1916  O   GLY A1010     -20.877   1.977 -11.709  1.00 30.70           O  
+ATOM   1917  H   GLY A1010     -22.350   1.239 -15.639  1.00 27.84           H  
+ATOM   1918  HA3 GLY A1010     -20.981   0.244 -14.087  1.00 27.29           H  
+ATOM   1919  HA2 GLY A1010     -22.276   0.232 -12.908  1.00 27.29           H  
+ATOM   1920  N   MET A1011     -20.818   3.147 -13.644  1.00 27.80           N  
+ATOM   1921  CA  MET A1011     -20.246   4.387 -13.112  1.00 26.42           C  
+ATOM   1922  C   MET A1011     -21.264   5.246 -12.341  1.00 31.30           C  
+ATOM   1923  O   MET A1011     -20.866   5.900 -11.379  1.00 31.07           O  
+ATOM   1924  CB  MET A1011     -19.609   5.206 -14.252  1.00 27.40           C  
+ATOM   1925  CG  MET A1011     -18.282   4.647 -14.803  1.00 29.13           C  
+ATOM   1926  SD  MET A1011     -16.903   4.468 -13.634  1.00 32.16           S  
+ATOM   1927  CE  MET A1011     -16.935   6.101 -12.864  1.00 29.76           C  
+ATOM   1928  H   MET A1011     -21.000   3.137 -14.639  1.00 27.80           H  
+ATOM   1929  HA  MET A1011     -19.465   4.122 -12.399  1.00 26.42           H  
+ATOM   1930  HB3 MET A1011     -19.439   6.229 -13.920  1.00 27.40           H  
+ATOM   1931  HB2 MET A1011     -20.323   5.296 -15.072  1.00 27.40           H  
+ATOM   1932  HG3 MET A1011     -17.947   5.292 -15.614  1.00 29.13           H  
+ATOM   1933  HG2 MET A1011     -18.438   3.669 -15.249  1.00 29.13           H  
+ATOM   1934  HE1 MET A1011     -16.007   6.289 -12.329  1.00 29.76           H  
+ATOM   1935  HE2 MET A1011     -17.067   6.868 -13.624  1.00 29.76           H  
+ATOM   1936  HE3 MET A1011     -17.760   6.167 -12.156  1.00 29.76           H  
+ATOM   1937  N   ALA A1012     -22.550   5.215 -12.739  1.00 27.75           N  
+ATOM   1938  CA  ALA A1012     -23.648   5.853 -12.006  1.00 28.69           C  
+ATOM   1939  C   ALA A1012     -23.910   5.181 -10.651  1.00 34.11           C  
+ATOM   1940  O   ALA A1012     -24.159   5.887  -9.675  1.00 34.50           O  
+ATOM   1941  CB  ALA A1012     -24.928   5.851 -12.850  1.00 29.26           C  
+ATOM   1942  H   ALA A1012     -22.809   4.689 -13.563  1.00 27.75           H  
+ATOM   1943  HA  ALA A1012     -23.371   6.892 -11.815  1.00 28.69           H  
+ATOM   1944  HB1 ALA A1012     -25.772   6.255 -12.290  1.00 29.26           H  
+ATOM   1945  HB2 ALA A1012     -24.814   6.467 -13.739  1.00 29.26           H  
+ATOM   1946  HB3 ALA A1012     -25.195   4.842 -13.168  1.00 29.26           H  
+ATOM   1947  N   TYR A1013     -23.798   3.840 -10.611  1.00 31.58           N  
+ATOM   1948  CA  TYR A1013     -23.827   3.053  -9.380  1.00 32.97           C  
+ATOM   1949  C   TYR A1013     -22.640   3.371  -8.452  1.00 36.19           C  
+ATOM   1950  O   TYR A1013     -22.866   3.557  -7.260  1.00 37.27           O  
+ATOM   1951  CB  TYR A1013     -23.945   1.548  -9.711  1.00 34.46           C  
+ATOM   1952  CG  TYR A1013     -23.718   0.625  -8.524  1.00 37.28           C  
+ATOM   1953  CD1 TYR A1013     -24.724   0.455  -7.550  1.00 41.29           C  
+ATOM   1954  CD2 TYR A1013     -22.473  -0.014  -8.360  1.00 37.10           C  
+ATOM   1955  CE1 TYR A1013     -24.474  -0.330  -6.408  1.00 41.87           C  
+ATOM   1956  CE2 TYR A1013     -22.228  -0.809  -7.225  1.00 38.57           C  
+ATOM   1957  CZ  TYR A1013     -23.222  -0.953  -6.240  1.00 45.11           C  
+ATOM   1958  OH  TYR A1013     -22.967  -1.691  -5.121  1.00 46.37           O  
+ATOM   1959  H   TYR A1013     -23.608   3.331 -11.463  1.00 31.58           H  
+ATOM   1960  HA  TYR A1013     -24.737   3.335  -8.846  1.00 32.97           H  
+ATOM   1961  HB3 TYR A1013     -23.222   1.285 -10.484  1.00 34.46           H  
+ATOM   1962  HB2 TYR A1013     -24.924   1.341 -10.144  1.00 34.46           H  
+ATOM   1963  HD1 TYR A1013     -25.678   0.949  -7.665  1.00 41.29           H  
+ATOM   1964  HD2 TYR A1013     -21.701   0.117  -9.101  1.00 37.10           H  
+ATOM   1965  HE1 TYR A1013     -25.242  -0.441  -5.657  1.00 41.87           H  
+ATOM   1966  HE2 TYR A1013     -21.274  -1.301  -7.114  1.00 38.57           H  
+ATOM   1967  HH  TYR A1013     -23.707  -1.720  -4.509  1.00 46.37           H  
+ATOM   1968  N   LEU A1014     -21.418   3.454  -9.010  1.00 29.93           N  
+ATOM   1969  CA  LEU A1014     -20.185   3.776  -8.283  1.00 29.88           C  
+ATOM   1970  C   LEU A1014     -20.253   5.139  -7.564  1.00 33.60           C  
+ATOM   1971  O   LEU A1014     -19.828   5.237  -6.413  1.00 34.49           O  
+ATOM   1972  CB  LEU A1014     -18.993   3.704  -9.268  1.00 29.28           C  
+ATOM   1973  CG  LEU A1014     -17.594   3.877  -8.637  1.00 33.67           C  
+ATOM   1974  CD1 LEU A1014     -17.231   2.683  -7.740  1.00 34.68           C  
+ATOM   1975  CD2 LEU A1014     -16.520   4.112  -9.712  1.00 34.91           C  
+ATOM   1976  H   LEU A1014     -21.314   3.276 -10.000  1.00 29.93           H  
+ATOM   1977  HA  LEU A1014     -20.058   3.004  -7.523  1.00 29.88           H  
+ATOM   1978  HB3 LEU A1014     -19.127   4.478 -10.024  1.00 29.28           H  
+ATOM   1979  HB2 LEU A1014     -19.021   2.757  -9.810  1.00 29.28           H  
+ATOM   1980  HG  LEU A1014     -17.589   4.772  -8.018  1.00 33.67           H  
+ATOM   1981 HD11 LEU A1014     -16.172   2.680  -7.479  1.00 34.68           H  
+ATOM   1982 HD12 LEU A1014     -17.791   2.707  -6.807  1.00 34.68           H  
+ATOM   1983 HD13 LEU A1014     -17.457   1.738  -8.233  1.00 34.68           H  
+ATOM   1984 HD21 LEU A1014     -15.641   3.483  -9.571  1.00 34.91           H  
+ATOM   1985 HD22 LEU A1014     -16.897   3.912 -10.714  1.00 34.91           H  
+ATOM   1986 HD23 LEU A1014     -16.182   5.149  -9.692  1.00 34.91           H  
+ATOM   1987  N   HIS A1015     -20.827   6.143  -8.248  1.00 30.39           N  
+ATOM   1988  CA  HIS A1015     -21.031   7.501  -7.741  1.00 30.40           C  
+ATOM   1989  C   HIS A1015     -22.165   7.606  -6.710  1.00 37.10           C  
+ATOM   1990  O   HIS A1015     -22.065   8.442  -5.812  1.00 37.94           O  
+ATOM   1991  CB  HIS A1015     -21.278   8.449  -8.927  1.00 29.83           C  
+ATOM   1992  CG  HIS A1015     -20.090   8.679  -9.827  1.00 31.72           C  
+ATOM   1993  ND1 HIS A1015     -20.081   9.704 -10.775  1.00 32.83           N  
+ATOM   1994  CD2 HIS A1015     -18.884   8.009  -9.891  1.00 32.40           C  
+ATOM   1995  CE1 HIS A1015     -18.891   9.622 -11.349  1.00 31.99           C  
+ATOM   1996  NE2 HIS A1015     -18.136   8.645 -10.858  1.00 31.94           N  
+ATOM   1997  H   HIS A1015     -21.146   5.973  -9.192  1.00 30.39           H  
+ATOM   1998  HA  HIS A1015     -20.120   7.823  -7.232  1.00 30.40           H  
+ATOM   1999  HB3 HIS A1015     -21.602   9.425  -8.563  1.00 29.83           H  
+ATOM   2000  HB2 HIS A1015     -22.092   8.068  -9.545  1.00 29.83           H  
+ATOM   2001  HD2 HIS A1015     -18.502   7.162  -9.341  1.00 32.40           H  
+ATOM   2002  HE1 HIS A1015     -18.579  10.265 -12.152  1.00 31.99           H  
+ATOM   2003  HE2 HIS A1015     -17.182   8.429 -11.127  1.00 31.94           H  
+ATOM   2004  N   ALA A1016     -23.190   6.741  -6.824  1.00 34.33           N  
+ATOM   2005  CA  ALA A1016     -24.267   6.595  -5.841  1.00 35.70           C  
+ATOM   2006  C   ALA A1016     -23.801   5.921  -4.536  1.00 40.39           C  
+ATOM   2007  O   ALA A1016     -24.346   6.233  -3.479  1.00 42.00           O  
+ATOM   2008  CB  ALA A1016     -25.434   5.825  -6.476  1.00 36.70           C  
+ATOM   2009  H   ALA A1016     -23.209   6.096  -7.602  1.00 34.33           H  
+ATOM   2010  HA  ALA A1016     -24.627   7.594  -5.586  1.00 35.70           H  
+ATOM   2011  HB1 ALA A1016     -26.271   5.737  -5.782  1.00 36.70           H  
+ATOM   2012  HB2 ALA A1016     -25.803   6.336  -7.366  1.00 36.70           H  
+ATOM   2013  HB3 ALA A1016     -25.143   4.816  -6.770  1.00 36.70           H  
+ATOM   2014  N   GLN A1017     -22.767   5.063  -4.626  1.00 37.13           N  
+ATOM   2015  CA  GLN A1017     -22.025   4.502  -3.492  1.00 37.34           C  
+ATOM   2016  C   GLN A1017     -20.950   5.464  -2.933  1.00 40.83           C  
+ATOM   2017  O   GLN A1017     -20.252   5.093  -1.990  1.00 41.85           O  
+ATOM   2018  CB  GLN A1017     -21.404   3.143  -3.909  1.00 37.57           C  
+ATOM   2019  CG  GLN A1017     -22.404   2.021  -4.263  1.00 50.69           C  
+ATOM   2020  CD  GLN A1017     -23.424   1.726  -3.164  1.00 63.42           C  
+ATOM   2021  OE1 GLN A1017     -23.054   1.402  -2.039  1.00 61.45           O  
+ATOM   2022  NE2 GLN A1017     -24.714   1.821  -3.490  1.00 53.50           N  
+ATOM   2023  H   GLN A1017     -22.399   4.842  -5.542  1.00 37.13           H  
+ATOM   2024  HA  GLN A1017     -22.720   4.334  -2.669  1.00 37.34           H  
+ATOM   2025  HB3 GLN A1017     -20.764   2.775  -3.106  1.00 37.57           H  
+ATOM   2026  HB2 GLN A1017     -20.745   3.294  -4.764  1.00 37.57           H  
+ATOM   2027  HG3 GLN A1017     -21.855   1.102  -4.472  1.00 50.69           H  
+ATOM   2028  HG2 GLN A1017     -22.936   2.263  -5.178  1.00 50.69           H  
+ATOM   2029 HE22 GLN A1017     -25.424   1.636  -2.796  1.00 53.50           H  
+ATOM   2030 HE21 GLN A1017     -24.988   2.094  -4.423  1.00 53.50           H  
+ATOM   2031  N   HIS A1018     -20.848   6.678  -3.506  1.00 43.65           N  
+ATOM   2032  CA  HIS A1018     -19.961   7.779  -3.121  1.00 42.72           C  
+ATOM   2033  C   HIS A1018     -18.462   7.498  -3.335  1.00 42.39           C  
+ATOM   2034  O   HIS A1018     -17.635   7.945  -2.541  1.00 42.28           O  
+ATOM   2035  CB  HIS A1018     -20.305   8.328  -1.715  1.00 46.64           C  
+ATOM   2036  CG  HIS A1018     -21.668   8.967  -1.627  1.00 52.37           C  
+ATOM   2037  ND1 HIS A1018     -21.918  10.258  -2.062  1.00 54.35           N  
+ATOM   2038  CD2 HIS A1018     -22.868   8.502  -1.136  1.00 56.51           C  
+ATOM   2039  CE1 HIS A1018     -23.208  10.508  -1.829  1.00 55.92           C  
+ATOM   2040  NE2 HIS A1018     -23.848   9.488  -1.270  1.00 57.64           N  
+ATOM   2041  H   HIS A1018     -21.476   6.893  -4.269  1.00 43.65           H  
+ATOM   2042  HA  HIS A1018     -20.187   8.568  -3.836  1.00 42.72           H  
+ATOM   2043  HB3 HIS A1018     -19.590   9.093  -1.418  1.00 46.64           H  
+ATOM   2044  HB2 HIS A1018     -20.233   7.546  -0.960  1.00 46.64           H  
+ATOM   2045  HD1 HIS A1018     -21.251  10.902  -2.469  1.00 54.35           H  
+ATOM   2046  HD2 HIS A1018     -23.101   7.539  -0.705  1.00 56.51           H  
+ATOM   2047  HE1 HIS A1018     -23.682  11.449  -2.069  1.00 55.92           H  
+ATOM   2048  N   TYR A1019     -18.143   6.799  -4.435  1.00 35.47           N  
+ATOM   2049  CA  TYR A1019     -16.778   6.548  -4.893  1.00 33.30           C  
+ATOM   2050  C   TYR A1019     -16.547   7.208  -6.261  1.00 34.14           C  
+ATOM   2051  O   TYR A1019     -17.477   7.333  -7.055  1.00 33.14           O  
+ATOM   2052  CB  TYR A1019     -16.541   5.029  -5.016  1.00 34.28           C  
+ATOM   2053  CG  TYR A1019     -16.655   4.219  -3.737  1.00 38.78           C  
+ATOM   2054  CD1 TYR A1019     -15.679   4.343  -2.728  1.00 41.85           C  
+ATOM   2055  CD2 TYR A1019     -17.719   3.310  -3.565  1.00 40.74           C  
+ATOM   2056  CE1 TYR A1019     -15.775   3.578  -1.550  1.00 44.99           C  
+ATOM   2057  CE2 TYR A1019     -17.803   2.527  -2.397  1.00 43.80           C  
+ATOM   2058  CZ  TYR A1019     -16.830   2.660  -1.388  1.00 51.67           C  
+ATOM   2059  OH  TYR A1019     -16.905   1.896  -0.259  1.00 54.79           O  
+ATOM   2060  H   TYR A1019     -18.877   6.456  -5.041  1.00 35.47           H  
+ATOM   2061  HA  TYR A1019     -16.062   6.962  -4.186  1.00 33.30           H  
+ATOM   2062  HB3 TYR A1019     -15.546   4.842  -5.425  1.00 34.28           H  
+ATOM   2063  HB2 TYR A1019     -17.242   4.622  -5.740  1.00 34.28           H  
+ATOM   2064  HD1 TYR A1019     -14.849   5.018  -2.862  1.00 41.85           H  
+ATOM   2065  HD2 TYR A1019     -18.467   3.204  -4.334  1.00 40.74           H  
+ATOM   2066  HE1 TYR A1019     -15.020   3.679  -0.784  1.00 44.99           H  
+ATOM   2067  HE2 TYR A1019     -18.613   1.822  -2.279  1.00 43.80           H  
+ATOM   2068  HH  TYR A1019     -16.208   2.090   0.372  1.00 54.79           H  
+ATOM   2069  N   ILE A1020     -15.278   7.546  -6.519  1.00 29.77           N  
+ATOM   2070  CA  ILE A1020     -14.725   7.909  -7.826  1.00 28.07           C  
+ATOM   2071  C   ILE A1020     -13.739   6.808  -8.264  1.00 32.77           C  
+ATOM   2072  O   ILE A1020     -13.136   6.167  -7.402  1.00 34.18           O  
+ATOM   2073  CB  ILE A1020     -13.969   9.271  -7.765  1.00 30.74           C  
+ATOM   2074  CG1 ILE A1020     -12.971   9.371  -6.579  1.00 31.83           C  
+ATOM   2075  CG2 ILE A1020     -14.985  10.428  -7.776  1.00 31.74           C  
+ATOM   2076  CD1 ILE A1020     -12.098  10.628  -6.551  1.00 34.37           C  
+ATOM   2077  H   ILE A1020     -14.587   7.409  -5.792  1.00 29.77           H  
+ATOM   2078  HA  ILE A1020     -15.525   7.963  -8.567  1.00 28.07           H  
+ATOM   2079  HB  ILE A1020     -13.384   9.371  -8.681  1.00 30.74           H  
+ATOM   2080 HG13 ILE A1020     -12.303   8.511  -6.574  1.00 31.83           H  
+ATOM   2081 HG12 ILE A1020     -13.513   9.327  -5.639  1.00 31.83           H  
+ATOM   2082 HG21 ILE A1020     -14.500  11.403  -7.805  1.00 31.74           H  
+ATOM   2083 HG22 ILE A1020     -15.629  10.370  -8.655  1.00 31.74           H  
+ATOM   2084 HG23 ILE A1020     -15.631  10.399  -6.899  1.00 31.74           H  
+ATOM   2085 HD11 ILE A1020     -11.383  10.572  -5.731  1.00 34.37           H  
+ATOM   2086 HD12 ILE A1020     -11.528  10.724  -7.470  1.00 34.37           H  
+ATOM   2087 HD13 ILE A1020     -12.687  11.534  -6.412  1.00 34.37           H  
+ATOM   2088  N   HIS A1021     -13.615   6.586  -9.584  1.00 29.57           N  
+ATOM   2089  CA  HIS A1021     -12.789   5.519 -10.159  1.00 28.01           C  
+ATOM   2090  C   HIS A1021     -11.325   5.941 -10.350  1.00 30.31           C  
+ATOM   2091  O   HIS A1021     -10.439   5.176  -9.977  1.00 28.41           O  
+ATOM   2092  CB  HIS A1021     -13.408   5.026 -11.483  1.00 27.19           C  
+ATOM   2093  CG  HIS A1021     -12.865   3.702 -11.963  1.00 29.30           C  
+ATOM   2094  ND1 HIS A1021     -11.689   3.600 -12.708  1.00 30.35           N  
+ATOM   2095  CD2 HIS A1021     -13.372   2.436 -11.765  1.00 30.30           C  
+ATOM   2096  CE1 HIS A1021     -11.528   2.303 -12.926  1.00 29.49           C  
+ATOM   2097  NE2 HIS A1021     -12.492   1.563 -12.380  1.00 29.77           N  
+ATOM   2098  H   HIS A1021     -14.127   7.166 -10.239  1.00 29.57           H  
+ATOM   2099  HA  HIS A1021     -12.807   4.674  -9.466  1.00 28.01           H  
+ATOM   2100  HB3 HIS A1021     -13.281   5.766 -12.275  1.00 27.19           H  
+ATOM   2101  HB2 HIS A1021     -14.480   4.899 -11.363  1.00 27.19           H  
+ATOM   2102  HD2 HIS A1021     -14.257   2.098 -11.249  1.00 30.30           H  
+ATOM   2103  HE1 HIS A1021     -10.699   1.885 -13.478  1.00 29.49           H  
+ATOM   2104  HE2 HIS A1021     -12.556   0.555 -12.415  1.00 29.77           H  
+ATOM   2105  N   ARG A1022     -11.098   7.129 -10.941  1.00 26.88           N  
+ATOM   2106  CA  ARG A1022      -9.786   7.728 -11.236  1.00 26.62           C  
+ATOM   2107  C   ARG A1022      -8.910   6.986 -12.274  1.00 29.84           C  
+ATOM   2108  O   ARG A1022      -7.772   7.406 -12.481  1.00 30.79           O  
+ATOM   2109  CB  ARG A1022      -8.983   8.005  -9.943  1.00 26.30           C  
+ATOM   2110  CG  ARG A1022      -9.681   8.927  -8.922  1.00 34.16           C  
+ATOM   2111  CD  ARG A1022      -8.869   9.218  -7.642  1.00 40.37           C  
+ATOM   2112  NE  ARG A1022      -7.497   9.677  -7.934  1.00 53.37           N  
+ATOM   2113  CZ  ARG A1022      -6.339   9.257  -7.389  1.00 66.01           C  
+ATOM   2114  NH1 ARG A1022      -6.295   8.374  -6.380  1.00 50.08           N  
+ATOM   2115  NH2 ARG A1022      -5.188   9.728  -7.884  1.00 58.24           N1+
+ATOM   2116  H   ARG A1022     -11.897   7.674 -11.242  1.00 26.88           H  
+ATOM   2117  HA  ARG A1022     -10.005   8.689 -11.696  1.00 26.62           H  
+ATOM   2118  HB3 ARG A1022      -8.042   8.474 -10.228  1.00 26.30           H  
+ATOM   2119  HB2 ARG A1022      -8.704   7.067  -9.470  1.00 26.30           H  
+ATOM   2120  HG3 ARG A1022     -10.573   8.388  -8.600  1.00 34.16           H  
+ATOM   2121  HG2 ARG A1022     -10.042   9.846  -9.375  1.00 34.16           H  
+ATOM   2122  HD3 ARG A1022      -8.961   8.430  -6.897  1.00 40.37           H  
+ATOM   2123  HD2 ARG A1022      -9.306  10.100  -7.175  1.00 40.37           H  
+ATOM   2124  HE  ARG A1022      -7.435  10.345  -8.690  1.00 53.37           H  
+ATOM   2125 HH12 ARG A1022      -5.412   8.059  -6.008  1.00 50.08           H  
+ATOM   2126 HH11 ARG A1022      -7.151   7.943  -6.061  1.00 50.08           H  
+ATOM   2127 HH22 ARG A1022      -4.302   9.408  -7.521  1.00 58.24           H  
+ATOM   2128 HH21 ARG A1022      -5.192  10.362  -8.671  1.00 58.24           H  
+ATOM   2129  N   ASN A1023      -9.426   5.933 -12.929  1.00 25.28           N  
+ATOM   2130  CA  ASN A1023      -8.676   5.139 -13.906  1.00 24.95           C  
+ATOM   2131  C   ASN A1023      -9.606   4.578 -14.997  1.00 27.49           C  
+ATOM   2132  O   ASN A1023      -9.399   3.452 -15.443  1.00 27.32           O  
+ATOM   2133  CB  ASN A1023      -7.876   4.024 -13.172  1.00 27.86           C  
+ATOM   2134  CG  ASN A1023      -6.623   3.507 -13.895  1.00 46.94           C  
+ATOM   2135  OD1 ASN A1023      -6.226   4.007 -14.945  1.00 37.71           O  
+ATOM   2136  ND2 ASN A1023      -5.995   2.476 -13.325  1.00 47.99           N  
+ATOM   2137  H   ASN A1023     -10.369   5.627 -12.734  1.00 25.28           H  
+ATOM   2138  HA  ASN A1023      -7.998   5.774 -14.478  1.00 24.95           H  
+ATOM   2139  HB3 ASN A1023      -8.526   3.188 -12.912  1.00 27.86           H  
+ATOM   2140  HB2 ASN A1023      -7.510   4.415 -12.225  1.00 27.86           H  
+ATOM   2141 HD22 ASN A1023      -5.174   2.080 -13.759  1.00 47.99           H  
+ATOM   2142 HD21 ASN A1023      -6.349   2.063 -12.474  1.00 47.99           H  
+ATOM   2143  N   LEU A1024     -10.638   5.337 -15.402  1.00 23.70           N  
+ATOM   2144  CA  LEU A1024     -11.607   4.888 -16.402  1.00 23.85           C  
+ATOM   2145  C   LEU A1024     -11.010   5.011 -17.818  1.00 29.77           C  
+ATOM   2146  O   LEU A1024     -10.776   6.121 -18.295  1.00 30.30           O  
+ATOM   2147  CB  LEU A1024     -12.937   5.645 -16.204  1.00 23.60           C  
+ATOM   2148  CG  LEU A1024     -14.121   5.127 -17.049  1.00 28.86           C  
+ATOM   2149  CD1 LEU A1024     -14.496   3.663 -16.728  1.00 29.18           C  
+ATOM   2150  CD2 LEU A1024     -15.331   6.053 -16.873  1.00 32.57           C  
+ATOM   2151  H   LEU A1024     -10.775   6.263 -15.014  1.00 23.70           H  
+ATOM   2152  HA  LEU A1024     -11.807   3.832 -16.209  1.00 23.85           H  
+ATOM   2153  HB3 LEU A1024     -12.781   6.701 -16.416  1.00 23.60           H  
+ATOM   2154  HB2 LEU A1024     -13.218   5.597 -15.151  1.00 23.60           H  
+ATOM   2155  HG  LEU A1024     -13.844   5.175 -18.102  1.00 28.86           H  
+ATOM   2156 HD11 LEU A1024     -15.563   3.544 -16.539  1.00 29.18           H  
+ATOM   2157 HD12 LEU A1024     -14.239   3.005 -17.558  1.00 29.18           H  
+ATOM   2158 HD13 LEU A1024     -13.984   3.290 -15.841  1.00 29.18           H  
+ATOM   2159 HD21 LEU A1024     -16.208   5.667 -17.393  1.00 32.57           H  
+ATOM   2160 HD22 LEU A1024     -15.589   6.176 -15.821  1.00 32.57           H  
+ATOM   2161 HD23 LEU A1024     -15.117   7.044 -17.269  1.00 32.57           H  
+ATOM   2162  N   ALA A1025     -10.753   3.847 -18.432  1.00 25.59           N  
+ATOM   2163  CA  ALA A1025     -10.110   3.677 -19.735  1.00 24.45           C  
+ATOM   2164  C   ALA A1025     -10.485   2.297 -20.301  1.00 24.35           C  
+ATOM   2165  O   ALA A1025     -10.935   1.437 -19.542  1.00 23.60           O  
+ATOM   2166  CB  ALA A1025      -8.589   3.821 -19.572  1.00 25.60           C  
+ATOM   2167  H   ALA A1025     -10.996   2.984 -17.966  1.00 25.59           H  
+ATOM   2168  HA  ALA A1025     -10.463   4.444 -20.425  1.00 24.45           H  
+ATOM   2169  HB1 ALA A1025      -8.106   3.875 -20.545  1.00 25.60           H  
+ATOM   2170  HB2 ALA A1025      -8.325   4.734 -19.036  1.00 25.60           H  
+ATOM   2171  HB3 ALA A1025      -8.156   2.979 -19.033  1.00 25.60           H  
+ATOM   2172  N   ALA A1026     -10.279   2.090 -21.614  1.00 21.93           N  
+ATOM   2173  CA  ALA A1026     -10.592   0.832 -22.313  1.00 22.59           C  
+ATOM   2174  C   ALA A1026      -9.770  -0.391 -21.853  1.00 27.08           C  
+ATOM   2175  O   ALA A1026     -10.254  -1.515 -21.983  1.00 26.36           O  
+ATOM   2176  CB  ALA A1026     -10.448   1.041 -23.824  1.00 24.44           C  
+ATOM   2177  H   ALA A1026      -9.903   2.836 -22.187  1.00 21.93           H  
+ATOM   2178  HA  ALA A1026     -11.640   0.605 -22.111  1.00 22.59           H  
+ATOM   2179  HB1 ALA A1026     -10.740   0.144 -24.372  1.00 24.44           H  
+ATOM   2180  HB2 ALA A1026     -11.086   1.855 -24.170  1.00 24.44           H  
+ATOM   2181  HB3 ALA A1026      -9.420   1.279 -24.102  1.00 24.44           H  
+ATOM   2182  N   ARG A1027      -8.571  -0.153 -21.289  1.00 25.25           N  
+ATOM   2183  CA  ARG A1027      -7.742  -1.138 -20.582  1.00 25.45           C  
+ATOM   2184  C   ARG A1027      -8.429  -1.703 -19.324  1.00 28.29           C  
+ATOM   2185  O   ARG A1027      -8.246  -2.876 -18.998  1.00 27.42           O  
+ATOM   2186  CB  ARG A1027      -6.412  -0.445 -20.204  1.00 27.95           C  
+ATOM   2187  CG  ARG A1027      -5.398  -1.307 -19.418  1.00 42.70           C  
+ATOM   2188  CD  ARG A1027      -4.136  -0.534 -18.994  1.00 56.67           C  
+ATOM   2189  NE  ARG A1027      -3.254  -0.207 -20.133  1.00 69.04           N  
+ATOM   2190  CZ  ARG A1027      -2.490   0.890 -20.306  1.00 82.45           C  
+ATOM   2191  NH1 ARG A1027      -1.728   0.976 -21.403  1.00 58.12           N  
+ATOM   2192  NH2 ARG A1027      -2.459   1.900 -19.422  1.00 78.84           N1+
+ATOM   2193  H   ARG A1027      -8.231   0.799 -21.264  1.00 25.25           H  
+ATOM   2194  HA  ARG A1027      -7.533  -1.966 -21.261  1.00 25.45           H  
+ATOM   2195  HB3 ARG A1027      -6.641   0.439 -19.605  1.00 27.95           H  
+ATOM   2196  HB2 ARG A1027      -5.939  -0.068 -21.108  1.00 27.95           H  
+ATOM   2197  HG3 ARG A1027      -5.110  -2.131 -20.072  1.00 42.70           H  
+ATOM   2198  HG2 ARG A1027      -5.829  -1.774 -18.533  1.00 42.70           H  
+ATOM   2199  HD3 ARG A1027      -3.599  -1.050 -18.197  1.00 56.67           H  
+ATOM   2200  HD2 ARG A1027      -4.475   0.408 -18.564  1.00 56.67           H  
+ATOM   2201  HE  ARG A1027      -3.200  -0.927 -20.839  1.00 69.04           H  
+ATOM   2202 HH12 ARG A1027      -1.140   1.783 -21.554  1.00 58.12           H  
+ATOM   2203 HH11 ARG A1027      -1.724   0.229 -22.083  1.00 58.12           H  
+ATOM   2204 HH22 ARG A1027      -1.876   2.709 -19.577  1.00 78.84           H  
+ATOM   2205 HH21 ARG A1027      -3.018   1.846 -18.582  1.00 78.84           H  
+ATOM   2206  N   ASN A1028      -9.183  -0.832 -18.640  1.00 25.48           N  
+ATOM   2207  CA  ASN A1028      -9.817  -1.069 -17.344  1.00 25.69           C  
+ATOM   2208  C   ASN A1028     -11.308  -1.430 -17.486  1.00 31.11           C  
+ATOM   2209  O   ASN A1028     -11.981  -1.539 -16.464  1.00 31.65           O  
+ATOM   2210  CB  ASN A1028      -9.606   0.183 -16.457  1.00 25.12           C  
+ATOM   2211  CG  ASN A1028      -8.121   0.492 -16.223  1.00 40.47           C  
+ATOM   2212  OD1 ASN A1028      -7.429  -0.258 -15.546  1.00 35.79           O  
+ATOM   2213  ND2 ASN A1028      -7.614   1.589 -16.784  1.00 30.20           N  
+ATOM   2214  H   ASN A1028      -9.310   0.097 -19.016  1.00 25.48           H  
+ATOM   2215  HA  ASN A1028      -9.340  -1.919 -16.854  1.00 25.69           H  
+ATOM   2216  HB3 ASN A1028     -10.060   0.035 -15.477  1.00 25.12           H  
+ATOM   2217  HB2 ASN A1028     -10.102   1.051 -16.894  1.00 25.12           H  
+ATOM   2218 HD22 ASN A1028      -6.648   1.838 -16.627  1.00 30.20           H  
+ATOM   2219 HD21 ASN A1028      -8.211   2.227 -17.289  1.00 30.20           H  
+ATOM   2220  N   VAL A1029     -11.798  -1.634 -18.722  1.00 26.95           N  
+ATOM   2221  CA  VAL A1029     -13.137  -2.148 -19.002  1.00 26.70           C  
+ATOM   2222  C   VAL A1029     -12.981  -3.497 -19.724  1.00 31.33           C  
+ATOM   2223  O   VAL A1029     -12.359  -3.563 -20.784  1.00 31.48           O  
+ATOM   2224  CB  VAL A1029     -13.977  -1.177 -19.877  1.00 30.65           C  
+ATOM   2225  CG1 VAL A1029     -15.345  -1.763 -20.277  1.00 31.45           C  
+ATOM   2226  CG2 VAL A1029     -14.210   0.161 -19.151  1.00 29.49           C  
+ATOM   2227  H   VAL A1029     -11.191  -1.521 -19.521  1.00 26.95           H  
+ATOM   2228  HA  VAL A1029     -13.685  -2.315 -18.073  1.00 26.70           H  
+ATOM   2229  HB  VAL A1029     -13.421  -0.962 -20.792  1.00 30.65           H  
+ATOM   2230 HG11 VAL A1029     -15.933  -1.046 -20.849  1.00 31.45           H  
+ATOM   2231 HG12 VAL A1029     -15.249  -2.656 -20.890  1.00 31.45           H  
+ATOM   2232 HG13 VAL A1029     -15.920  -2.034 -19.392  1.00 31.45           H  
+ATOM   2233 HG21 VAL A1029     -14.742   0.866 -19.787  1.00 29.49           H  
+ATOM   2234 HG22 VAL A1029     -14.798   0.020 -18.244  1.00 29.49           H  
+ATOM   2235 HG23 VAL A1029     -13.276   0.637 -18.861  1.00 29.49           H  
+ATOM   2236  N   LEU A1030     -13.546  -4.536 -19.098  1.00 29.26           N  
+ATOM   2237  CA  LEU A1030     -13.436  -5.943 -19.459  1.00 29.87           C  
+ATOM   2238  C   LEU A1030     -14.734  -6.418 -20.127  1.00 34.28           C  
+ATOM   2239  O   LEU A1030     -15.816  -5.980 -19.744  1.00 33.78           O  
+ATOM   2240  CB  LEU A1030     -13.148  -6.758 -18.176  1.00 30.51           C  
+ATOM   2241  CG  LEU A1030     -11.951  -6.266 -17.329  1.00 34.35           C  
+ATOM   2242  CD1 LEU A1030     -11.872  -7.047 -16.005  1.00 34.54           C  
+ATOM   2243  CD2 LEU A1030     -10.623  -6.313 -18.110  1.00 35.67           C  
+ATOM   2244  H   LEU A1030     -14.086  -4.359 -18.259  1.00 29.26           H  
+ATOM   2245  HA  LEU A1030     -12.621  -6.087 -20.160  1.00 29.87           H  
+ATOM   2246  HB3 LEU A1030     -12.979  -7.800 -18.451  1.00 30.51           H  
+ATOM   2247  HB2 LEU A1030     -14.036  -6.746 -17.542  1.00 30.51           H  
+ATOM   2248  HG  LEU A1030     -12.117  -5.226 -17.045  1.00 34.35           H  
+ATOM   2249 HD11 LEU A1030     -10.872  -7.030 -15.574  1.00 34.54           H  
+ATOM   2250 HD12 LEU A1030     -12.543  -6.611 -15.265  1.00 34.54           H  
+ATOM   2251 HD13 LEU A1030     -12.159  -8.091 -16.136  1.00 34.54           H  
+ATOM   2252 HD21 LEU A1030      -9.806  -6.731 -17.525  1.00 35.67           H  
+ATOM   2253 HD22 LEU A1030     -10.705  -6.922 -19.009  1.00 35.67           H  
+ATOM   2254 HD23 LEU A1030     -10.318  -5.312 -18.416  1.00 35.67           H  
+ATOM   2255  N   LEU A1031     -14.594  -7.316 -21.109  1.00 30.49           N  
+ATOM   2256  CA  LEU A1031     -15.677  -7.861 -21.919  1.00 32.51           C  
+ATOM   2257  C   LEU A1031     -15.990  -9.288 -21.446  1.00 35.33           C  
+ATOM   2258  O   LEU A1031     -15.112 -10.149 -21.506  1.00 35.33           O  
+ATOM   2259  CB  LEU A1031     -15.207  -7.837 -23.390  1.00 33.91           C  
+ATOM   2260  CG  LEU A1031     -16.300  -8.165 -24.428  1.00 41.72           C  
+ATOM   2261  CD1 LEU A1031     -17.356  -7.057 -24.515  1.00 42.04           C  
+ATOM   2262  CD2 LEU A1031     -15.694  -8.428 -25.814  1.00 45.52           C  
+ATOM   2263  H   LEU A1031     -13.666  -7.633 -21.362  1.00 30.49           H  
+ATOM   2264  HA  LEU A1031     -16.569  -7.239 -21.820  1.00 32.51           H  
+ATOM   2265  HB3 LEU A1031     -14.372  -8.530 -23.503  1.00 33.91           H  
+ATOM   2266  HB2 LEU A1031     -14.790  -6.856 -23.620  1.00 33.91           H  
+ATOM   2267  HG  LEU A1031     -16.798  -9.086 -24.124  1.00 41.72           H  
+ATOM   2268 HD11 LEU A1031     -17.955  -7.171 -25.417  1.00 42.04           H  
+ATOM   2269 HD12 LEU A1031     -18.043  -7.098 -23.674  1.00 42.04           H  
+ATOM   2270 HD13 LEU A1031     -16.904  -6.066 -24.534  1.00 42.04           H  
+ATOM   2271 HD21 LEU A1031     -16.150  -9.298 -26.285  1.00 45.52           H  
+ATOM   2272 HD22 LEU A1031     -15.842  -7.583 -26.487  1.00 45.52           H  
+ATOM   2273 HD23 LEU A1031     -14.622  -8.613 -25.760  1.00 45.52           H  
+ATOM   2274  N   ASP A1032     -17.228  -9.514 -20.982  1.00 33.70           N  
+ATOM   2275  CA  ASP A1032     -17.709 -10.826 -20.541  1.00 35.49           C  
+ATOM   2276  C   ASP A1032     -18.164 -11.660 -21.752  1.00 42.98           C  
+ATOM   2277  O   ASP A1032     -17.723 -12.797 -21.919  1.00 43.01           O  
+ATOM   2278  CB  ASP A1032     -18.819 -10.678 -19.473  1.00 38.24           C  
+ATOM   2279  CG  ASP A1032     -19.217 -11.988 -18.778  1.00 57.45           C  
+ATOM   2280  OD1 ASP A1032     -20.169 -12.637 -19.267  1.00 62.50           O  
+ATOM   2281  OD2 ASP A1032     -18.464 -12.390 -17.864  1.00 62.05           O1-
+ATOM   2282  H   ASP A1032     -17.906  -8.763 -20.973  1.00 33.70           H  
+ATOM   2283  HA  ASP A1032     -16.876 -11.357 -20.081  1.00 35.49           H  
+ATOM   2284  HB3 ASP A1032     -19.699 -10.215 -19.919  1.00 38.24           H  
+ATOM   2285  HB2 ASP A1032     -18.494  -9.964 -18.715  1.00 38.24           H  
+ATOM   2286  N   ASN A1033     -19.010 -11.038 -22.584  1.00 43.24           N  
+ATOM   2287  CA  ASN A1033     -19.497 -11.544 -23.865  1.00 46.44           C  
+ATOM   2288  C   ASN A1033     -19.762 -10.349 -24.795  1.00 51.69           C  
+ATOM   2289  O   ASN A1033     -19.558  -9.204 -24.393  1.00 49.09           O  
+ATOM   2290  CB  ASN A1033     -20.705 -12.501 -23.670  1.00 48.31           C  
+ATOM   2291  CG  ASN A1033     -21.949 -11.872 -23.030  1.00 66.28           C  
+ATOM   2292  OD1 ASN A1033     -22.672 -11.112 -23.673  1.00 59.86           O  
+ATOM   2293  ND2 ASN A1033     -22.216 -12.201 -21.765  1.00 59.92           N  
+ATOM   2294  H   ASN A1033     -19.290 -10.090 -22.372  1.00 43.24           H  
+ATOM   2295  HA  ASN A1033     -18.695 -12.118 -24.328  1.00 46.44           H  
+ATOM   2296  HB3 ASN A1033     -20.392 -13.356 -23.068  1.00 48.31           H  
+ATOM   2297  HB2 ASN A1033     -21.003 -12.919 -24.632  1.00 48.31           H  
+ATOM   2298 HD22 ASN A1033     -23.031 -11.823 -21.306  1.00 59.92           H  
+ATOM   2299 HD21 ASN A1033     -21.587 -12.794 -21.239  1.00 59.92           H  
+ATOM   2300  N   ASP A1034     -20.221 -10.630 -26.026  1.00 52.34           N  
+ATOM   2301  CA  ASP A1034     -20.534  -9.638 -27.066  1.00 53.71           C  
+ATOM   2302  C   ASP A1034     -21.498  -8.509 -26.638  1.00 56.50           C  
+ATOM   2303  O   ASP A1034     -21.382  -7.409 -27.172  1.00 55.06           O  
+ATOM   2304  CB  ASP A1034     -20.993 -10.260 -28.421  1.00 59.25           C  
+ATOM   2305  CG  ASP A1034     -21.928 -11.488 -28.397  1.00 77.62           C  
+ATOM   2306  OD1 ASP A1034     -22.642 -11.701 -27.391  1.00 79.51           O  
+ATOM   2307  OD2 ASP A1034     -22.012 -12.132 -29.466  1.00 88.40           O1-
+ATOM   2308  H   ASP A1034     -20.404 -11.591 -26.277  1.00 52.34           H  
+ATOM   2309  HA  ASP A1034     -19.581  -9.145 -27.267  1.00 53.71           H  
+ATOM   2310  HB3 ASP A1034     -20.101 -10.523 -28.992  1.00 59.25           H  
+ATOM   2311  HB2 ASP A1034     -21.502  -9.504 -29.021  1.00 59.25           H  
+ATOM   2312  N   ARG A1035     -22.409  -8.787 -25.690  1.00 52.42           N  
+ATOM   2313  CA  ARG A1035     -23.441  -7.861 -25.218  1.00 52.12           C  
+ATOM   2314  C   ARG A1035     -23.328  -7.544 -23.710  1.00 53.91           C  
+ATOM   2315  O   ARG A1035     -24.309  -7.055 -23.149  1.00 54.42           O  
+ATOM   2316  CB  ARG A1035     -24.837  -8.437 -25.576  1.00 56.06           C  
+ATOM   2317  CG  ARG A1035     -25.108  -8.714 -27.070  1.00 68.03           C  
+ATOM   2318  CD  ARG A1035     -24.828  -7.517 -27.996  1.00 74.26           C  
+ATOM   2319  NE  ARG A1035     -25.335  -7.729 -29.362  1.00 83.22           N  
+ATOM   2320  CZ  ARG A1035     -26.539  -7.369 -29.847  1.00103.41           C  
+ATOM   2321  NH1 ARG A1035     -27.457  -6.739 -29.096  1.00 95.23           N  
+ATOM   2322  NH2 ARG A1035     -26.830  -7.652 -31.123  1.00 92.56           N1+
+ATOM   2323  H   ARG A1035     -22.437  -9.717 -25.293  1.00 52.42           H  
+ATOM   2324  HA  ARG A1035     -23.335  -6.896 -25.716  1.00 52.12           H  
+ATOM   2325  HB3 ARG A1035     -25.612  -7.749 -25.234  1.00 56.06           H  
+ATOM   2326  HB2 ARG A1035     -24.997  -9.361 -25.018  1.00 56.06           H  
+ATOM   2327  HG3 ARG A1035     -26.107  -9.122 -27.229  1.00 68.03           H  
+ATOM   2328  HG2 ARG A1035     -24.424  -9.514 -27.354  1.00 68.03           H  
+ATOM   2329  HD3 ARG A1035     -23.754  -7.453 -28.158  1.00 74.26           H  
+ATOM   2330  HD2 ARG A1035     -25.119  -6.565 -27.557  1.00 74.26           H  
+ATOM   2331  HE  ARG A1035     -24.703  -8.223 -29.976  1.00 83.22           H  
+ATOM   2332 HH12 ARG A1035     -28.355  -6.483 -29.479  1.00 95.23           H  
+ATOM   2333 HH11 ARG A1035     -27.253  -6.528 -28.129  1.00 95.23           H  
+ATOM   2334 HH22 ARG A1035     -27.726  -7.401 -31.514  1.00 92.56           H  
+ATOM   2335 HH21 ARG A1035     -26.153  -8.124 -31.705  1.00 92.56           H  
+ATOM   2336  N   LEU A1036     -22.168  -7.794 -23.070  1.00 47.46           N  
+ATOM   2337  CA  LEU A1036     -21.963  -7.530 -21.640  1.00 44.95           C  
+ATOM   2338  C   LEU A1036     -20.532  -7.050 -21.367  1.00 44.87           C  
+ATOM   2339  O   LEU A1036     -19.578  -7.736 -21.731  1.00 44.01           O  
+ATOM   2340  CB  LEU A1036     -22.332  -8.786 -20.814  1.00 46.48           C  
+ATOM   2341  CG  LEU A1036     -22.174  -8.675 -19.276  1.00 50.35           C  
+ATOM   2342  CD1 LEU A1036     -22.966  -7.498 -18.672  1.00 50.69           C  
+ATOM   2343  CD2 LEU A1036     -22.525 -10.014 -18.595  1.00 54.50           C  
+ATOM   2344  H   LEU A1036     -21.384  -8.186 -23.574  1.00 47.46           H  
+ATOM   2345  HA  LEU A1036     -22.628  -6.719 -21.340  1.00 44.95           H  
+ATOM   2346  HB3 LEU A1036     -21.709  -9.609 -21.162  1.00 46.48           H  
+ATOM   2347  HB2 LEU A1036     -23.360  -9.070 -21.043  1.00 46.48           H  
+ATOM   2348  HG  LEU A1036     -21.121  -8.491 -19.058  1.00 50.35           H  
+ATOM   2349 HD11 LEU A1036     -23.465  -7.756 -17.738  1.00 50.69           H  
+ATOM   2350 HD12 LEU A1036     -22.298  -6.667 -18.450  1.00 50.69           H  
+ATOM   2351 HD13 LEU A1036     -23.735  -7.132 -19.353  1.00 50.69           H  
+ATOM   2352 HD21 LEU A1036     -21.717 -10.344 -17.943  1.00 54.50           H  
+ATOM   2353 HD22 LEU A1036     -23.428  -9.954 -17.988  1.00 54.50           H  
+ATOM   2354 HD23 LEU A1036     -22.689 -10.811 -19.319  1.00 54.50           H  
+ATOM   2355  N   VAL A1037     -20.435  -5.900 -20.682  1.00 38.25           N  
+ATOM   2356  CA  VAL A1037     -19.194  -5.221 -20.316  1.00 36.27           C  
+ATOM   2357  C   VAL A1037     -19.177  -4.931 -18.801  1.00 39.75           C  
+ATOM   2358  O   VAL A1037     -20.235  -4.704 -18.213  1.00 42.27           O  
+ATOM   2359  CB  VAL A1037     -19.040  -3.916 -21.169  1.00 39.78           C  
+ATOM   2360  CG1 VAL A1037     -18.996  -2.560 -20.436  1.00 38.54           C  
+ATOM   2361  CG2 VAL A1037     -17.853  -4.045 -22.131  1.00 38.84           C  
+ATOM   2362  H   VAL A1037     -21.281  -5.417 -20.416  1.00 38.25           H  
+ATOM   2363  HA  VAL A1037     -18.354  -5.889 -20.516  1.00 36.27           H  
+ATOM   2364  HB  VAL A1037     -19.915  -3.841 -21.816  1.00 39.78           H  
+ATOM   2365 HG11 VAL A1037     -18.905  -1.748 -21.157  1.00 38.54           H  
+ATOM   2366 HG12 VAL A1037     -19.908  -2.380 -19.867  1.00 38.54           H  
+ATOM   2367 HG13 VAL A1037     -18.151  -2.488 -19.754  1.00 38.54           H  
+ATOM   2368 HG21 VAL A1037     -17.787  -3.179 -22.786  1.00 38.84           H  
+ATOM   2369 HG22 VAL A1037     -16.910  -4.145 -21.595  1.00 38.84           H  
+ATOM   2370 HG23 VAL A1037     -17.970  -4.920 -22.767  1.00 38.84           H  
+ATOM   2371  N   LYS A1038     -17.973  -4.970 -18.206  1.00 33.36           N  
+ATOM   2372  CA  LYS A1038     -17.714  -4.870 -16.768  1.00 33.06           C  
+ATOM   2373  C   LYS A1038     -16.486  -3.993 -16.493  1.00 35.92           C  
+ATOM   2374  O   LYS A1038     -15.441  -4.213 -17.097  1.00 35.20           O  
+ATOM   2375  CB  LYS A1038     -17.475  -6.283 -16.197  1.00 36.83           C  
+ATOM   2376  CG  LYS A1038     -18.744  -7.139 -16.085  1.00 43.54           C  
+ATOM   2377  CD  LYS A1038     -18.416  -8.601 -15.754  1.00 43.25           C  
+ATOM   2378  CE  LYS A1038     -19.659  -9.477 -15.519  1.00 48.33           C  
+ATOM   2379  NZ  LYS A1038     -20.309  -9.187 -14.229  1.00 58.37           N1+
+ATOM   2380  H   LYS A1038     -17.155  -5.165 -18.773  1.00 33.36           H  
+ATOM   2381  HA  LYS A1038     -18.573  -4.421 -16.275  1.00 33.06           H  
+ATOM   2382  HB3 LYS A1038     -17.044  -6.209 -15.197  1.00 36.83           H  
+ATOM   2383  HB2 LYS A1038     -16.729  -6.798 -16.805  1.00 36.83           H  
+ATOM   2384  HG3 LYS A1038     -19.314  -7.112 -17.013  1.00 43.54           H  
+ATOM   2385  HG2 LYS A1038     -19.385  -6.707 -15.316  1.00 43.54           H  
+ATOM   2386  HD3 LYS A1038     -17.749  -8.636 -14.893  1.00 43.25           H  
+ATOM   2387  HD2 LYS A1038     -17.843  -9.029 -16.578  1.00 43.25           H  
+ATOM   2388  HE3 LYS A1038     -19.373 -10.530 -15.521  1.00 48.33           H  
+ATOM   2389  HE2 LYS A1038     -20.377  -9.339 -16.327  1.00 48.33           H  
+ATOM   2390  HZ1 LYS A1038     -20.572  -8.212 -14.193  1.00 58.37           H  
+ATOM   2391  HZ2 LYS A1038     -21.135  -9.761 -14.133  1.00 58.37           H  
+ATOM   2392  HZ3 LYS A1038     -19.658  -9.396 -13.483  1.00 58.37           H  
+ATOM   2393  N   ILE A1039     -16.611  -3.053 -15.546  1.00 32.33           N  
+ATOM   2394  CA  ILE A1039     -15.529  -2.170 -15.100  1.00 30.26           C  
+ATOM   2395  C   ILE A1039     -14.622  -2.906 -14.087  1.00 36.96           C  
+ATOM   2396  O   ILE A1039     -15.136  -3.503 -13.141  1.00 36.41           O  
+ATOM   2397  CB  ILE A1039     -16.113  -0.894 -14.424  1.00 32.08           C  
+ATOM   2398  CG1 ILE A1039     -17.001  -0.081 -15.398  1.00 32.40           C  
+ATOM   2399  CG2 ILE A1039     -15.053   0.035 -13.791  1.00 30.46           C  
+ATOM   2400  CD1 ILE A1039     -18.035   0.795 -14.680  1.00 32.90           C  
+ATOM   2401  H   ILE A1039     -17.503  -2.922 -15.087  1.00 32.33           H  
+ATOM   2402  HA  ILE A1039     -14.934  -1.865 -15.964  1.00 30.26           H  
+ATOM   2403  HB  ILE A1039     -16.755  -1.236 -13.612  1.00 32.08           H  
+ATOM   2404 HG13 ILE A1039     -17.549  -0.736 -16.074  1.00 32.40           H  
+ATOM   2405 HG12 ILE A1039     -16.376   0.539 -16.043  1.00 32.40           H  
+ATOM   2406 HG21 ILE A1039     -15.511   0.925 -13.361  1.00 30.46           H  
+ATOM   2407 HG22 ILE A1039     -14.506  -0.448 -12.982  1.00 30.46           H  
+ATOM   2408 HG23 ILE A1039     -14.325   0.366 -14.533  1.00 30.46           H  
+ATOM   2409 HD11 ILE A1039     -18.794   1.146 -15.378  1.00 32.90           H  
+ATOM   2410 HD12 ILE A1039     -18.547   0.245 -13.890  1.00 32.90           H  
+ATOM   2411 HD13 ILE A1039     -17.570   1.668 -14.227  1.00 32.90           H  
+ATOM   2412  N   GLY A1040     -13.299  -2.832 -14.297  1.00 34.99           N  
+ATOM   2413  CA  GLY A1040     -12.279  -3.441 -13.444  1.00 35.46           C  
+ATOM   2414  C   GLY A1040     -11.235  -2.399 -13.018  1.00 40.57           C  
+ATOM   2415  O   GLY A1040     -11.291  -1.237 -13.425  1.00 40.24           O  
+ATOM   2416  H   GLY A1040     -12.953  -2.301 -15.088  1.00 34.99           H  
+ATOM   2417  HA3 GLY A1040     -11.793  -4.245 -13.996  1.00 35.46           H  
+ATOM   2418  HA2 GLY A1040     -12.711  -3.879 -12.545  1.00 35.46           H  
+ATOM   2419  N   ASP A1041     -10.281  -2.857 -12.183  1.00 37.60           N  
+ATOM   2420  CA  ASP A1041      -9.156  -2.128 -11.575  1.00 37.19           C  
+ATOM   2421  C   ASP A1041      -9.647  -0.930 -10.739  1.00 39.90           C  
+ATOM   2422  O   ASP A1041      -9.838   0.158 -11.279  1.00 40.83           O  
+ATOM   2423  CB  ASP A1041      -8.045  -1.755 -12.602  1.00 38.16           C  
+ATOM   2424  CG  ASP A1041      -6.684  -1.252 -12.060  1.00 45.68           C  
+ATOM   2425  OD1 ASP A1041      -5.771  -1.092 -12.899  1.00 47.53           O  
+ATOM   2426  OD2 ASP A1041      -6.537  -1.022 -10.838  1.00 46.86           O1-
+ATOM   2427  H   ASP A1041     -10.328  -3.831 -11.919  1.00 37.60           H  
+ATOM   2428  HA  ASP A1041      -8.711  -2.844 -10.881  1.00 37.19           H  
+ATOM   2429  HB3 ASP A1041      -8.439  -1.004 -13.286  1.00 38.16           H  
+ATOM   2430  HB2 ASP A1041      -7.850  -2.625 -13.230  1.00 38.16           H  
+ATOM   2431  N   PHE A1042      -9.815  -1.168  -9.430  1.00 32.99           N  
+ATOM   2432  CA  PHE A1042     -10.209  -0.173  -8.429  1.00 32.48           C  
+ATOM   2433  C   PHE A1042      -9.008   0.266  -7.562  1.00 35.62           C  
+ATOM   2434  O   PHE A1042      -9.202   0.707  -6.430  1.00 35.44           O  
+ATOM   2435  CB  PHE A1042     -11.403  -0.721  -7.611  1.00 35.36           C  
+ATOM   2436  CG  PHE A1042     -12.699  -0.811  -8.402  1.00 36.03           C  
+ATOM   2437  CD1 PHE A1042     -13.585   0.286  -8.444  1.00 39.47           C  
+ATOM   2438  CD2 PHE A1042     -12.942  -1.915  -9.249  1.00 37.32           C  
+ATOM   2439  CE1 PHE A1042     -14.709   0.241  -9.258  1.00 39.56           C  
+ATOM   2440  CE2 PHE A1042     -14.064  -1.934 -10.065  1.00 40.21           C  
+ATOM   2441  CZ  PHE A1042     -14.948  -0.863 -10.064  1.00 38.02           C  
+ATOM   2442  H   PHE A1042      -9.602  -2.087  -9.065  1.00 32.99           H  
+ATOM   2443  HA  PHE A1042     -10.553   0.738  -8.922  1.00 32.48           H  
+ATOM   2444  HB3 PHE A1042     -11.593  -0.103  -6.733  1.00 35.36           H  
+ATOM   2445  HB2 PHE A1042     -11.163  -1.715  -7.230  1.00 35.36           H  
+ATOM   2446  HD1 PHE A1042     -13.398   1.163  -7.841  1.00 39.47           H  
+ATOM   2447  HD2 PHE A1042     -12.252  -2.746  -9.271  1.00 37.32           H  
+ATOM   2448  HE1 PHE A1042     -15.394   1.075  -9.279  1.00 39.56           H  
+ATOM   2449  HE2 PHE A1042     -14.245  -2.783 -10.706  1.00 40.21           H  
+ATOM   2450  HZ  PHE A1042     -15.819  -0.885 -10.703  1.00 38.02           H  
+ATOM   2451  N   GLY A1043      -7.784   0.142  -8.108  1.00 33.72           N  
+ATOM   2452  CA  GLY A1043      -6.521   0.435  -7.427  1.00 35.61           C  
+ATOM   2453  C   GLY A1043      -6.198   1.933  -7.365  1.00 40.83           C  
+ATOM   2454  O   GLY A1043      -5.284   2.317  -6.639  1.00 42.94           O  
+ATOM   2455  H   GLY A1043      -7.704  -0.230  -9.047  1.00 33.72           H  
+ATOM   2456  HA3 GLY A1043      -5.718  -0.084  -7.948  1.00 35.61           H  
+ATOM   2457  HA2 GLY A1043      -6.540   0.043  -6.412  1.00 35.61           H  
+ATOM   2458  N   LEU A1044      -6.945   2.778  -8.088  1.00 35.95           N  
+ATOM   2459  CA  LEU A1044      -6.861   4.233  -8.006  1.00 35.55           C  
+ATOM   2460  C   LEU A1044      -8.171   4.829  -7.458  1.00 38.20           C  
+ATOM   2461  O   LEU A1044      -8.212   6.033  -7.219  1.00 37.43           O  
+ATOM   2462  CB  LEU A1044      -6.469   4.775  -9.406  1.00 34.71           C  
+ATOM   2463  CG  LEU A1044      -5.531   6.004  -9.408  1.00 41.15           C  
+ATOM   2464  CD1 LEU A1044      -4.249   5.779  -8.578  1.00 45.80           C  
+ATOM   2465  CD2 LEU A1044      -5.188   6.427 -10.852  1.00 40.55           C  
+ATOM   2466  H   LEU A1044      -7.658   2.413  -8.706  1.00 35.95           H  
+ATOM   2467  HA  LEU A1044      -6.105   4.519  -7.276  1.00 35.55           H  
+ATOM   2468  HB3 LEU A1044      -7.369   4.997  -9.980  1.00 34.71           H  
+ATOM   2469  HB2 LEU A1044      -5.959   3.988  -9.965  1.00 34.71           H  
+ATOM   2470  HG  LEU A1044      -6.080   6.829  -8.955  1.00 41.15           H  
+ATOM   2471 HD11 LEU A1044      -3.350   6.151  -9.067  1.00 45.80           H  
+ATOM   2472 HD12 LEU A1044      -4.316   6.290  -7.618  1.00 45.80           H  
+ATOM   2473 HD13 LEU A1044      -4.084   4.721  -8.374  1.00 45.80           H  
+ATOM   2474 HD21 LEU A1044      -5.412   7.480 -11.005  1.00 40.55           H  
+ATOM   2475 HD22 LEU A1044      -4.137   6.284 -11.101  1.00 40.55           H  
+ATOM   2476 HD23 LEU A1044      -5.757   5.864 -11.592  1.00 40.55           H  
+ATOM   2477  N   ALA A1045      -9.201   3.990  -7.232  1.00 34.45           N  
+ATOM   2478  CA  ALA A1045     -10.504   4.387  -6.704  1.00 35.33           C  
+ATOM   2479  C   ALA A1045     -10.430   4.893  -5.256  1.00 41.48           C  
+ATOM   2480  O   ALA A1045      -9.604   4.418  -4.473  1.00 41.92           O  
+ATOM   2481  CB  ALA A1045     -11.487   3.214  -6.830  1.00 35.84           C  
+ATOM   2482  H   ALA A1045      -9.084   3.005  -7.423  1.00 34.45           H  
+ATOM   2483  HA  ALA A1045     -10.850   5.203  -7.335  1.00 35.33           H  
+ATOM   2484  HB1 ALA A1045     -12.498   3.516  -6.557  1.00 35.84           H  
+ATOM   2485  HB2 ALA A1045     -11.523   2.843  -7.855  1.00 35.84           H  
+ATOM   2486  HB3 ALA A1045     -11.207   2.384  -6.181  1.00 35.84           H  
+ATOM   2487  N   LYS A1046     -11.300   5.861  -4.945  1.00 39.67           N  
+ATOM   2488  CA  LYS A1046     -11.318   6.591  -3.682  1.00 41.51           C  
+ATOM   2489  C   LYS A1046     -12.750   6.934  -3.276  1.00 46.70           C  
+ATOM   2490  O   LYS A1046     -13.567   7.254  -4.135  1.00 45.21           O  
+ATOM   2491  CB  LYS A1046     -10.476   7.879  -3.839  1.00 43.95           C  
+ATOM   2492  CG  LYS A1046      -8.988   7.717  -3.485  1.00 52.94           C  
+ATOM   2493  CD  LYS A1046      -8.690   7.354  -2.016  1.00 61.30           C  
+ATOM   2494  CE  LYS A1046      -9.523   8.140  -0.980  1.00 72.46           C  
+ATOM   2495  NZ  LYS A1046      -9.058   7.923   0.399  1.00 80.50           N1+
+ATOM   2496  H   LYS A1046     -11.971   6.165  -5.639  1.00 39.67           H  
+ATOM   2497  HA  LYS A1046     -10.904   5.956  -2.897  1.00 41.51           H  
+ATOM   2498  HB3 LYS A1046     -10.879   8.677  -3.214  1.00 43.95           H  
+ATOM   2499  HB2 LYS A1046     -10.573   8.265  -4.855  1.00 43.95           H  
+ATOM   2500  HG3 LYS A1046      -8.477   8.644  -3.729  1.00 52.94           H  
+ATOM   2501  HG2 LYS A1046      -8.538   6.968  -4.136  1.00 52.94           H  
+ATOM   2502  HD3 LYS A1046      -7.629   7.535  -1.837  1.00 61.30           H  
+ATOM   2503  HD2 LYS A1046      -8.829   6.282  -1.883  1.00 61.30           H  
+ATOM   2504  HE3 LYS A1046     -10.570   7.846  -1.027  1.00 72.46           H  
+ATOM   2505  HE2 LYS A1046      -9.486   9.205  -1.193  1.00 72.46           H  
+ATOM   2506  HZ1 LYS A1046      -8.097   8.222   0.487  1.00 80.50           H  
+ATOM   2507  HZ2 LYS A1046      -9.636   8.452   1.037  1.00 80.50           H  
+ATOM   2508  HZ3 LYS A1046      -9.133   6.938   0.619  1.00 80.50           H  
+ATOM   2509  N   ALA A1047     -12.999   6.921  -1.957  1.00 45.97           N  
+ATOM   2510  CA  ALA A1047     -14.212   7.457  -1.347  1.00 47.89           C  
+ATOM   2511  C   ALA A1047     -14.167   8.991  -1.315  1.00 53.43           C  
+ATOM   2512  O   ALA A1047     -13.153   9.562  -0.907  1.00 53.75           O  
+ATOM   2513  CB  ALA A1047     -14.352   6.891   0.073  1.00 51.21           C  
+ATOM   2514  H   ALA A1047     -12.278   6.625  -1.316  1.00 45.97           H  
+ATOM   2515  HA  ALA A1047     -15.077   7.135  -1.930  1.00 47.89           H  
+ATOM   2516  HB1 ALA A1047     -15.270   7.242   0.546  1.00 51.21           H  
+ATOM   2517  HB2 ALA A1047     -14.389   5.802   0.060  1.00 51.21           H  
+ATOM   2518  HB3 ALA A1047     -13.516   7.185   0.710  1.00 51.21           H  
+ATOM   2519  N   VAL A1048     -15.284   9.612  -1.717  1.00 51.14           N  
+ATOM   2520  CA  VAL A1048     -15.527  11.048  -1.616  1.00 52.52           C  
+ATOM   2521  C   VAL A1048     -16.589  11.227  -0.506  1.00 61.61           C  
+ATOM   2522  O   VAL A1048     -17.713  10.757  -0.701  1.00 62.08           O  
+ATOM   2523  CB  VAL A1048     -16.107  11.604  -2.950  1.00 54.59           C  
+ATOM   2524  CG1 VAL A1048     -16.533  13.087  -2.879  1.00 55.28           C  
+ATOM   2525  CG2 VAL A1048     -15.123  11.416  -4.115  1.00 51.78           C  
+ATOM   2526  H   VAL A1048     -16.073   9.059  -2.028  1.00 51.14           H  
+ATOM   2527  HA  VAL A1048     -14.604  11.590  -1.418  1.00 52.52           H  
+ATOM   2528  HB  VAL A1048     -16.991  11.024  -3.210  1.00 54.59           H  
+ATOM   2529 HG11 VAL A1048     -16.863  13.451  -3.853  1.00 55.28           H  
+ATOM   2530 HG12 VAL A1048     -17.363  13.245  -2.193  1.00 55.28           H  
+ATOM   2531 HG13 VAL A1048     -15.707  13.722  -2.554  1.00 55.28           H  
+ATOM   2532 HG21 VAL A1048     -15.510  11.856  -5.034  1.00 51.78           H  
+ATOM   2533 HG22 VAL A1048     -14.159  11.881  -3.905  1.00 51.78           H  
+ATOM   2534 HG23 VAL A1048     -14.954  10.358  -4.308  1.00 51.78           H  
+ATOM   2535  N   PRO A1049     -16.231  11.864   0.638  1.00 62.00           N  
+ATOM   2536  CA  PRO A1049     -17.181  12.175   1.733  1.00 66.09           C  
+ATOM   2537  C   PRO A1049     -18.456  12.902   1.274  1.00 73.83           C  
+ATOM   2538  O   PRO A1049     -18.378  13.726   0.366  1.00 71.64           O  
+ATOM   2539  CB  PRO A1049     -16.359  13.057   2.687  1.00 69.51           C  
+ATOM   2540  CG  PRO A1049     -14.919  12.642   2.455  1.00 71.48           C  
+ATOM   2541  CD  PRO A1049     -14.886  12.345   0.963  1.00 63.48           C  
+ATOM   2542  HA  PRO A1049     -17.437  11.234   2.224  1.00 66.09           H  
+ATOM   2543  HB3 PRO A1049     -16.659  12.943   3.729  1.00 69.51           H  
+ATOM   2544  HB2 PRO A1049     -16.470  14.109   2.427  1.00 69.51           H  
+ATOM   2545  HG3 PRO A1049     -14.713  11.728   3.013  1.00 71.48           H  
+ATOM   2546  HG2 PRO A1049     -14.194  13.397   2.762  1.00 71.48           H  
+ATOM   2547  HD2 PRO A1049     -14.689  13.254   0.393  1.00 63.48           H  
+ATOM   2548  HD3 PRO A1049     -14.104  11.617   0.743  1.00 63.48           H  
+ATOM   2549  N   GLU A1050     -19.599  12.565   1.891  1.00 75.69           N  
+ATOM   2550  CA  GLU A1050     -20.944  13.042   1.544  1.00 77.51           C  
+ATOM   2551  C   GLU A1050     -21.136  14.576   1.529  1.00 84.15           C  
+ATOM   2552  O   GLU A1050     -21.985  15.055   0.778  1.00 83.15           O  
+ATOM   2553  CB  GLU A1050     -22.005  12.335   2.423  1.00 82.22           C  
+ATOM   2554  CG  GLU A1050     -21.882  12.524   3.960  1.00 97.93           C  
+ATOM   2555  CD  GLU A1050     -20.911  11.595   4.717  1.00120.70           C  
+ATOM   2556  OE1 GLU A1050     -20.353  10.656   4.106  1.00108.26           O  
+ATOM   2557  OE2 GLU A1050     -20.740  11.849   5.929  1.00119.67           O1-
+ATOM   2558  H   GLU A1050     -19.576  11.868   2.628  1.00 75.69           H  
+ATOM   2559  HA  GLU A1050     -21.123  12.708   0.521  1.00 77.51           H  
+ATOM   2560  HB3 GLU A1050     -22.046  11.276   2.164  1.00 82.22           H  
+ATOM   2561  HB2 GLU A1050     -22.986  12.711   2.130  1.00 82.22           H  
+ATOM   2562  HG3 GLU A1050     -22.868  12.357   4.395  1.00 97.93           H  
+ATOM   2563  HG2 GLU A1050     -21.636  13.561   4.192  1.00 97.93           H  
+ATOM   2564  N   GLY A1051     -20.338  15.313   2.322  1.00 83.36           N  
+ATOM   2565  CA  GLY A1051     -20.348  16.778   2.372  1.00 84.58           C  
+ATOM   2566  C   GLY A1051     -19.398  17.418   1.341  1.00 86.36           C  
+ATOM   2567  O   GLY A1051     -19.389  18.642   1.226  1.00 86.86           O  
+ATOM   2568  H   GLY A1051     -19.671  14.838   2.912  1.00 83.36           H  
+ATOM   2569  HA3 GLY A1051     -20.034  17.087   3.369  1.00 84.58           H  
+ATOM   2570  HA2 GLY A1051     -21.358  17.167   2.228  1.00 84.58           H  
+ATOM   2571  N   HIS A1052     -18.601  16.614   0.616  1.00 79.97           N  
+ATOM   2572  CA  HIS A1052     -17.628  17.042  -0.391  1.00 76.91           C  
+ATOM   2573  C   HIS A1052     -18.092  16.594  -1.786  1.00 76.64           C  
+ATOM   2574  O   HIS A1052     -18.785  15.584  -1.911  1.00 75.70           O  
+ATOM   2575  CB  HIS A1052     -16.249  16.407  -0.085  1.00 77.26           C  
+ATOM   2576  CG  HIS A1052     -15.565  16.849   1.190  1.00 83.91           C  
+ATOM   2577  ND1 HIS A1052     -16.149  16.768   2.443  1.00 88.78           N  
+ATOM   2578  CD2 HIS A1052     -14.311  17.376   1.409  1.00 86.52           C  
+ATOM   2579  CE1 HIS A1052     -15.262  17.223   3.330  1.00 90.57           C  
+ATOM   2580  NE2 HIS A1052     -14.121  17.610   2.773  1.00 89.68           N  
+ATOM   2581  H   HIS A1052     -18.690  15.611   0.721  1.00 79.97           H  
+ATOM   2582  HA  HIS A1052     -17.522  18.128  -0.395  1.00 76.91           H  
+ATOM   2583  HB3 HIS A1052     -15.562  16.629  -0.903  1.00 77.26           H  
+ATOM   2584  HB2 HIS A1052     -16.328  15.320  -0.059  1.00 77.26           H  
+ATOM   2585  HD1 HIS A1052     -17.079  16.432   2.646  1.00 88.78           H  
+ATOM   2586  HD2 HIS A1052     -13.532  17.597   0.693  1.00 86.52           H  
+ATOM   2587  HE1 HIS A1052     -15.452  17.274   4.392  1.00 90.57           H  
+ATOM   2588  N   GLU A1053     -17.658  17.339  -2.813  1.00 70.38           N  
+ATOM   2589  CA  GLU A1053     -17.883  17.025  -4.226  1.00 67.41           C  
+ATOM   2590  C   GLU A1053     -16.584  16.601  -4.944  1.00 65.39           C  
+ATOM   2591  O   GLU A1053     -16.666  16.250  -6.120  1.00 62.86           O  
+ATOM   2592  CB  GLU A1053     -18.591  18.216  -4.922  1.00 69.51           C  
+ATOM   2593  CG  GLU A1053     -17.775  19.516  -5.126  1.00 81.78           C  
+ATOM   2594  CD  GLU A1053     -17.769  20.453  -3.910  1.00109.48           C  
+ATOM   2595  OE1 GLU A1053     -16.887  20.272  -3.041  1.00107.26           O  
+ATOM   2596  OE2 GLU A1053     -18.636  21.354  -3.877  1.00107.68           O1-
+ATOM   2597  H   GLU A1053     -17.140  18.190  -2.633  1.00 70.38           H  
+ATOM   2598  HA  GLU A1053     -18.555  16.169  -4.309  1.00 67.41           H  
+ATOM   2599  HB3 GLU A1053     -19.511  18.445  -4.382  1.00 69.51           H  
+ATOM   2600  HB2 GLU A1053     -18.930  17.878  -5.902  1.00 69.51           H  
+ATOM   2601  HG3 GLU A1053     -18.202  20.060  -5.971  1.00 81.78           H  
+ATOM   2602  HG2 GLU A1053     -16.755  19.292  -5.427  1.00 81.78           H  
+ATOM   2603  N   TYR A1054     -15.431  16.625  -4.247  1.00 59.91           N  
+ATOM   2604  CA  TYR A1054     -14.128  16.234  -4.789  1.00 57.06           C  
+ATOM   2605  C   TYR A1054     -13.226  15.604  -3.716  1.00 59.88           C  
+ATOM   2606  O   TYR A1054     -13.479  15.736  -2.518  1.00 61.73           O  
+ATOM   2607  CB  TYR A1054     -13.441  17.443  -5.478  1.00 57.75           C  
+ATOM   2608  CG  TYR A1054     -12.907  18.541  -4.566  1.00 61.72           C  
+ATOM   2609  CD1 TYR A1054     -13.738  19.620  -4.204  1.00 65.51           C  
+ATOM   2610  CD2 TYR A1054     -11.584  18.494  -4.074  1.00 63.03           C  
+ATOM   2611  CE1 TYR A1054     -13.269  20.628  -3.341  1.00 68.28           C  
+ATOM   2612  CE2 TYR A1054     -11.115  19.497  -3.203  1.00 66.37           C  
+ATOM   2613  CZ  TYR A1054     -11.956  20.565  -2.836  1.00 76.35           C  
+ATOM   2614  OH  TYR A1054     -11.496  21.540  -1.999  1.00 81.80           O  
+ATOM   2615  H   TYR A1054     -15.436  16.914  -3.280  1.00 59.91           H  
+ATOM   2616  HA  TYR A1054     -14.296  15.455  -5.533  1.00 57.06           H  
+ATOM   2617  HB3 TYR A1054     -14.123  17.885  -6.199  1.00 57.75           H  
+ATOM   2618  HB2 TYR A1054     -12.600  17.084  -6.073  1.00 57.75           H  
+ATOM   2619  HD1 TYR A1054     -14.743  19.674  -4.588  1.00 65.51           H  
+ATOM   2620  HD2 TYR A1054     -10.929  17.683  -4.354  1.00 63.03           H  
+ATOM   2621  HE1 TYR A1054     -13.924  21.442  -3.068  1.00 68.28           H  
+ATOM   2622  HE2 TYR A1054     -10.109  19.449  -2.819  1.00 66.37           H  
+ATOM   2623  HH  TYR A1054     -12.170  22.190  -1.786  1.00 81.80           H  
+ATOM   2624  N   TYR A1055     -12.153  14.972  -4.210  1.00 53.09           N  
+ATOM   2625  CA  TYR A1055     -11.010  14.469  -3.457  1.00 53.10           C  
+ATOM   2626  C   TYR A1055      -9.730  15.055  -4.077  1.00 56.32           C  
+ATOM   2627  O   TYR A1055      -9.577  14.991  -5.297  1.00 53.18           O  
+ATOM   2628  CB  TYR A1055     -11.034  12.923  -3.511  1.00 53.04           C  
+ATOM   2629  CG  TYR A1055      -9.744  12.229  -3.105  1.00 55.26           C  
+ATOM   2630  CD1 TYR A1055      -9.401  12.120  -1.742  1.00 59.33           C  
+ATOM   2631  CD2 TYR A1055      -8.866  11.729  -4.091  1.00 54.82           C  
+ATOM   2632  CE1 TYR A1055      -8.185  11.515  -1.367  1.00 60.69           C  
+ATOM   2633  CE2 TYR A1055      -7.649  11.129  -3.715  1.00 56.92           C  
+ATOM   2634  CZ  TYR A1055      -7.314  11.009  -2.352  1.00 68.28           C  
+ATOM   2635  OH  TYR A1055      -6.149  10.402  -1.984  1.00 72.13           O  
+ATOM   2636  H   TYR A1055     -12.061  14.899  -5.215  1.00 53.09           H  
+ATOM   2637  HA  TYR A1055     -11.073  14.790  -2.414  1.00 53.10           H  
+ATOM   2638  HB3 TYR A1055     -11.261  12.611  -4.531  1.00 53.04           H  
+ATOM   2639  HB2 TYR A1055     -11.854  12.542  -2.901  1.00 53.04           H  
+ATOM   2640  HD1 TYR A1055     -10.063  12.510  -0.983  1.00 59.33           H  
+ATOM   2641  HD2 TYR A1055      -9.113  11.822  -5.138  1.00 54.82           H  
+ATOM   2642  HE1 TYR A1055      -7.925  11.436  -0.322  1.00 60.69           H  
+ATOM   2643  HE2 TYR A1055      -6.981  10.755  -4.477  1.00 56.92           H  
+ATOM   2644  HH  TYR A1055      -5.606  10.149  -2.733  1.00 72.13           H  
+ATOM   2645  N   ARG A1056      -8.820  15.578  -3.233  1.00 56.46           N  
+ATOM   2646  CA  ARG A1056      -7.493  16.028  -3.664  1.00 57.19           C  
+ATOM   2647  C   ARG A1056      -6.569  14.826  -3.910  1.00 61.89           C  
+ATOM   2648  O   ARG A1056      -6.399  13.995  -3.018  1.00 62.29           O  
+ATOM   2649  CB  ARG A1056      -6.857  16.978  -2.622  1.00 60.29           C  
+ATOM   2650  CG  ARG A1056      -6.973  18.463  -3.000  1.00 71.82           C  
+ATOM   2651  CD  ARG A1056      -6.155  19.356  -2.054  1.00 85.08           C  
+ATOM   2652  NE  ARG A1056      -6.332  20.793  -2.325  1.00 93.43           N  
+ATOM   2653  CZ  ARG A1056      -7.278  21.608  -1.823  1.00108.81           C  
+ATOM   2654  NH1 ARG A1056      -8.248  21.161  -1.012  1.00 96.57           N  
+ATOM   2655  NH2 ARG A1056      -7.244  22.909  -2.140  1.00 96.30           N1+
+ATOM   2656  H   ARG A1056      -8.997  15.584  -2.239  1.00 56.46           H  
+ATOM   2657  HA  ARG A1056      -7.616  16.566  -4.600  1.00 57.19           H  
+ATOM   2658  HB3 ARG A1056      -5.789  16.767  -2.529  1.00 60.29           H  
+ATOM   2659  HB2 ARG A1056      -7.270  16.795  -1.630  1.00 60.29           H  
+ATOM   2660  HG3 ARG A1056      -8.004  18.796  -3.104  1.00 71.82           H  
+ATOM   2661  HG2 ARG A1056      -6.529  18.553  -3.992  1.00 71.82           H  
+ATOM   2662  HD3 ARG A1056      -5.100  19.187  -2.272  1.00 85.08           H  
+ATOM   2663  HD2 ARG A1056      -6.284  19.091  -1.004  1.00 85.08           H  
+ATOM   2664  HE  ARG A1056      -5.655  21.189  -2.963  1.00 93.43           H  
+ATOM   2665 HH12 ARG A1056      -8.964  21.783  -0.663  1.00 96.57           H  
+ATOM   2666 HH11 ARG A1056      -8.277  20.185  -0.753  1.00 96.57           H  
+ATOM   2667 HH22 ARG A1056      -7.927  23.545  -1.753  1.00 96.30           H  
+ATOM   2668 HH21 ARG A1056      -6.494  23.276  -2.708  1.00 96.30           H  
+ATOM   2669  N   VAL A1057      -5.964  14.798  -5.106  1.00 58.85           N  
+ATOM   2670  CA  VAL A1057      -5.007  13.783  -5.542  1.00 59.44           C  
+ATOM   2671  C   VAL A1057      -3.562  14.286  -5.358  1.00 68.20           C  
+ATOM   2672  O   VAL A1057      -3.337  15.487  -5.204  1.00 69.34           O  
+ATOM   2673  CB  VAL A1057      -5.230  13.408  -7.039  1.00 60.80           C  
+ATOM   2674  CG1 VAL A1057      -6.688  12.986  -7.286  1.00 59.13           C  
+ATOM   2675  CG2 VAL A1057      -4.792  14.450  -8.089  1.00 60.31           C  
+ATOM   2676  H   VAL A1057      -6.130  15.554  -5.759  1.00 58.85           H  
+ATOM   2677  HA  VAL A1057      -5.129  12.879  -4.942  1.00 59.44           H  
+ATOM   2678  HB  VAL A1057      -4.625  12.522  -7.230  1.00 60.80           H  
+ATOM   2679 HG11 VAL A1057      -6.827  12.616  -8.302  1.00 59.13           H  
+ATOM   2680 HG12 VAL A1057      -6.989  12.198  -6.596  1.00 59.13           H  
+ATOM   2681 HG13 VAL A1057      -7.372  13.823  -7.144  1.00 59.13           H  
+ATOM   2682 HG21 VAL A1057      -5.000  14.095  -9.099  1.00 60.31           H  
+ATOM   2683 HG22 VAL A1057      -5.329  15.385  -7.961  1.00 60.31           H  
+ATOM   2684 HG23 VAL A1057      -3.724  14.664  -8.049  1.00 60.31           H  
+ATOM   2685  N   ARG A1058      -2.611  13.340  -5.386  1.00 67.56           N  
+ATOM   2686  CA  ARG A1058      -1.177  13.612  -5.288  1.00 70.37           C  
+ATOM   2687  C   ARG A1058      -0.543  13.791  -6.676  1.00 74.80           C  
+ATOM   2688  O   ARG A1058      -1.076  13.300  -7.673  1.00 72.29           O  
+ATOM   2689  CB  ARG A1058      -0.479  12.448  -4.551  1.00 73.21           C  
+ATOM   2690  CG  ARG A1058      -1.089  12.101  -3.184  1.00 89.24           C  
+ATOM   2691  CD  ARG A1058      -0.241  11.070  -2.421  1.00105.70           C  
+ATOM   2692  NE  ARG A1058      -0.968  10.502  -1.272  1.00119.40           N  
+ATOM   2693  CZ  ARG A1058      -1.743   9.400  -1.279  1.00134.49           C  
+ATOM   2694  NH1 ARG A1058      -1.925   8.658  -2.382  1.00120.12           N  
+ATOM   2695  NH2 ARG A1058      -2.354   9.027  -0.148  1.00122.85           N1+
+ATOM   2696  H   ARG A1058      -2.868  12.377  -5.539  1.00 67.56           H  
+ATOM   2697  HA  ARG A1058      -1.018  14.526  -4.711  1.00 70.37           H  
+ATOM   2698  HB3 ARG A1058       0.578  12.688  -4.420  1.00 73.21           H  
+ATOM   2699  HB2 ARG A1058      -0.507  11.554  -5.177  1.00 73.21           H  
+ATOM   2700  HG3 ARG A1058      -2.134  11.793  -3.252  1.00 89.24           H  
+ATOM   2701  HG2 ARG A1058      -1.084  13.029  -2.610  1.00 89.24           H  
+ATOM   2702  HD3 ARG A1058       0.588  11.605  -1.956  1.00105.70           H  
+ATOM   2703  HD2 ARG A1058       0.217  10.325  -3.072  1.00105.70           H  
+ATOM   2704  HE  ARG A1058      -0.893  11.026  -0.412  1.00119.40           H  
+ATOM   2705 HH12 ARG A1058      -2.491   7.818  -2.349  1.00120.12           H  
+ATOM   2706 HH11 ARG A1058      -1.459   8.910  -3.242  1.00120.12           H  
+ATOM   2707 HH22 ARG A1058      -2.931   8.198  -0.132  1.00122.85           H  
+ATOM   2708 HH21 ARG A1058      -2.234   9.562   0.700  1.00122.85           H  
+ATOM   2709  N   GLU A1059       0.628  14.446  -6.686  1.00 74.50           N  
+ATOM   2710  CA  GLU A1059       1.549  14.511  -7.820  1.00 74.23           C  
+ATOM   2711  C   GLU A1059       2.244  13.144  -7.957  1.00 77.46           C  
+ATOM   2712  O   GLU A1059       3.046  12.789  -7.092  1.00 79.77           O  
+ATOM   2713  CB  GLU A1059       2.560  15.653  -7.577  1.00 78.25           C  
+ATOM   2714  CG  GLU A1059       1.892  17.042  -7.423  1.00 89.76           C  
+ATOM   2715  CD  GLU A1059       2.831  18.197  -7.039  1.00113.50           C  
+ATOM   2716  OE1 GLU A1059       4.068  18.005  -7.030  1.00107.60           O  
+ATOM   2717  OE2 GLU A1059       2.280  19.281  -6.747  1.00107.56           O1-
+ATOM   2718  H   GLU A1059       0.988  14.825  -5.822  1.00 74.50           H  
+ATOM   2719  HA  GLU A1059       0.986  14.729  -8.730  1.00 74.23           H  
+ATOM   2720  HB3 GLU A1059       3.269  15.684  -8.405  1.00 78.25           H  
+ATOM   2721  HB2 GLU A1059       3.148  15.433  -6.683  1.00 78.25           H  
+ATOM   2722  HG3 GLU A1059       1.105  17.001  -6.669  1.00 89.76           H  
+ATOM   2723  HG2 GLU A1059       1.401  17.302  -8.360  1.00 89.76           H  
+ATOM   2724  N   ASP A1060       1.863  12.381  -8.994  1.00 70.23           N  
+ATOM   2725  CA  ASP A1060       2.185  10.959  -9.123  1.00 68.85           C  
+ATOM   2726  C   ASP A1060       2.436  10.612 -10.602  1.00 68.50           C  
+ATOM   2727  O   ASP A1060       1.727  11.115 -11.475  1.00 66.16           O  
+ATOM   2728  CB  ASP A1060       1.080  10.106  -8.446  1.00 69.42           C  
+ATOM   2729  CG  ASP A1060       1.258   8.586  -8.543  1.00 81.45           C  
+ATOM   2730  OD1 ASP A1060       0.559   7.983  -9.387  1.00 81.04           O  
+ATOM   2731  OD2 ASP A1060       2.179   8.077  -7.867  1.00 89.83           O1-
+ATOM   2732  H   ASP A1060       1.207  12.743  -9.671  1.00 70.23           H  
+ATOM   2733  HA  ASP A1060       3.123  10.765  -8.598  1.00 68.85           H  
+ATOM   2734  HB3 ASP A1060       0.101  10.394  -8.832  1.00 69.42           H  
+ATOM   2735  HB2 ASP A1060       1.038  10.369  -7.387  1.00 69.42           H  
+ATOM   2736  N   GLY A1061       3.449   9.764 -10.849  1.00 63.47           N  
+ATOM   2737  CA  GLY A1061       3.926   9.419 -12.190  1.00 61.92           C  
+ATOM   2738  C   GLY A1061       3.069   8.349 -12.886  1.00 61.80           C  
+ATOM   2739  O   GLY A1061       3.082   8.291 -14.114  1.00 61.49           O  
+ATOM   2740  H   GLY A1061       3.956   9.366 -10.070  1.00 63.47           H  
+ATOM   2741  HA3 GLY A1061       4.945   9.042 -12.107  1.00 61.92           H  
+ATOM   2742  HA2 GLY A1061       3.972  10.313 -12.814  1.00 61.92           H  
+ATOM   2743  N   ASP A1062       2.325   7.524 -12.126  1.00 55.28           N  
+ATOM   2744  CA  ASP A1062       1.442   6.464 -12.636  1.00 52.23           C  
+ATOM   2745  C   ASP A1062       0.004   6.947 -12.919  1.00 50.35           C  
+ATOM   2746  O   ASP A1062      -0.815   6.141 -13.363  1.00 49.00           O  
+ATOM   2747  CB  ASP A1062       1.434   5.201 -11.736  1.00 54.90           C  
+ATOM   2748  CG  ASP A1062       2.831   4.607 -11.498  1.00 73.36           C  
+ATOM   2749  OD1 ASP A1062       3.333   3.948 -12.436  1.00 75.14           O  
+ATOM   2750  OD2 ASP A1062       3.434   4.928 -10.449  1.00 82.10           O1-
+ATOM   2751  H   ASP A1062       2.350   7.618 -11.119  1.00 55.28           H  
+ATOM   2752  HA  ASP A1062       1.827   6.142 -13.606  1.00 52.23           H  
+ATOM   2753  HB3 ASP A1062       0.812   4.422 -12.180  1.00 54.90           H  
+ATOM   2754  HB2 ASP A1062       0.987   5.438 -10.768  1.00 54.90           H  
+ATOM   2755  N   SER A1063      -0.281   8.242 -12.691  1.00 43.08           N  
+ATOM   2756  CA  SER A1063      -1.561   8.892 -12.987  1.00 39.71           C  
+ATOM   2757  C   SER A1063      -1.834   8.910 -14.512  1.00 36.74           C  
+ATOM   2758  O   SER A1063      -0.950   9.351 -15.250  1.00 35.65           O  
+ATOM   2759  CB  SER A1063      -1.491  10.338 -12.459  1.00 44.05           C  
+ATOM   2760  OG  SER A1063      -1.613  10.353 -11.052  1.00 56.19           O  
+ATOM   2761  H   SER A1063       0.446   8.839 -12.324  1.00 43.08           H  
+ATOM   2762  HA  SER A1063      -2.332   8.355 -12.439  1.00 39.71           H  
+ATOM   2763  HB3 SER A1063      -2.315  10.931 -12.860  1.00 44.05           H  
+ATOM   2764  HB2 SER A1063      -0.570  10.836 -12.765  1.00 44.05           H  
+ATOM   2765  HG  SER A1063      -0.858   9.891 -10.676  1.00 56.19           H  
+ATOM   2766  N   PRO A1064      -3.015   8.426 -14.970  1.00 30.99           N  
+ATOM   2767  CA  PRO A1064      -3.378   8.425 -16.402  1.00 29.59           C  
+ATOM   2768  C   PRO A1064      -3.800   9.827 -16.898  1.00 32.01           C  
+ATOM   2769  O   PRO A1064      -4.988  10.093 -17.078  1.00 29.67           O  
+ATOM   2770  CB  PRO A1064      -4.497   7.370 -16.469  1.00 29.56           C  
+ATOM   2771  CG  PRO A1064      -5.201   7.486 -15.127  1.00 33.51           C  
+ATOM   2772  CD  PRO A1064      -4.061   7.793 -14.161  1.00 30.17           C  
+ATOM   2773  HA  PRO A1064      -2.539   8.089 -17.015  1.00 29.59           H  
+ATOM   2774  HB3 PRO A1064      -4.050   6.379 -16.559  1.00 29.56           H  
+ATOM   2775  HB2 PRO A1064      -5.178   7.491 -17.312  1.00 29.56           H  
+ATOM   2776  HG3 PRO A1064      -5.769   6.600 -14.852  1.00 33.51           H  
+ATOM   2777  HG2 PRO A1064      -5.894   8.325 -15.161  1.00 33.51           H  
+ATOM   2778  HD2 PRO A1064      -4.404   8.427 -13.343  1.00 30.17           H  
+ATOM   2779  HD3 PRO A1064      -3.670   6.865 -13.739  1.00 30.17           H  
+ATOM   2780  N   VAL A1065      -2.800  10.705 -17.088  1.00 29.66           N  
+ATOM   2781  CA  VAL A1065      -2.951  12.127 -17.410  1.00 29.04           C  
+ATOM   2782  C   VAL A1065      -3.639  12.430 -18.758  1.00 30.30           C  
+ATOM   2783  O   VAL A1065      -4.307  13.458 -18.859  1.00 30.19           O  
+ATOM   2784  CB  VAL A1065      -1.583  12.864 -17.373  1.00 34.62           C  
+ATOM   2785  CG1 VAL A1065      -1.026  12.925 -15.939  1.00 34.92           C  
+ATOM   2786  CG2 VAL A1065      -0.534  12.320 -18.364  1.00 35.44           C  
+ATOM   2787  H   VAL A1065      -1.854  10.404 -16.898  1.00 29.66           H  
+ATOM   2788  HA  VAL A1065      -3.579  12.552 -16.626  1.00 29.04           H  
+ATOM   2789  HB  VAL A1065      -1.750  13.900 -17.667  1.00 34.62           H  
+ATOM   2790 HG11 VAL A1065      -0.087  13.474 -15.899  1.00 34.92           H  
+ATOM   2791 HG12 VAL A1065      -1.725  13.423 -15.267  1.00 34.92           H  
+ATOM   2792 HG13 VAL A1065      -0.833  11.932 -15.538  1.00 34.92           H  
+ATOM   2793 HG21 VAL A1065       0.408  12.861 -18.269  1.00 35.44           H  
+ATOM   2794 HG22 VAL A1065      -0.323  11.265 -18.188  1.00 35.44           H  
+ATOM   2795 HG23 VAL A1065      -0.857  12.430 -19.399  1.00 35.44           H  
+ATOM   2796  N   PHE A1066      -3.516  11.523 -19.742  1.00 25.62           N  
+ATOM   2797  CA  PHE A1066      -4.162  11.634 -21.055  1.00 24.82           C  
+ATOM   2798  C   PHE A1066      -5.663  11.264 -21.049  1.00 26.45           C  
+ATOM   2799  O   PHE A1066      -6.334  11.496 -22.053  1.00 25.78           O  
+ATOM   2800  CB  PHE A1066      -3.362  10.816 -22.089  1.00 26.47           C  
+ATOM   2801  CG  PHE A1066      -1.927  11.285 -22.278  1.00 27.98           C  
+ATOM   2802  CD1 PHE A1066      -1.658  12.556 -22.830  1.00 31.46           C  
+ATOM   2803  CD2 PHE A1066      -0.846  10.491 -21.838  1.00 29.97           C  
+ATOM   2804  CE1 PHE A1066      -0.348  12.995 -22.971  1.00 33.77           C  
+ATOM   2805  CE2 PHE A1066       0.458  10.945 -21.994  1.00 33.43           C  
+ATOM   2806  CZ  PHE A1066       0.705  12.190 -22.560  1.00 32.31           C  
+ATOM   2807  H   PHE A1066      -2.954  10.698 -19.588  1.00 25.62           H  
+ATOM   2808  HA  PHE A1066      -4.122  12.680 -21.365  1.00 24.82           H  
+ATOM   2809  HB3 PHE A1066      -3.857  10.859 -23.059  1.00 26.47           H  
+ATOM   2810  HB2 PHE A1066      -3.356   9.763 -21.809  1.00 26.47           H  
+ATOM   2811  HD1 PHE A1066      -2.468  13.198 -23.139  1.00 31.46           H  
+ATOM   2812  HD2 PHE A1066      -1.026   9.526 -21.388  1.00 29.97           H  
+ATOM   2813  HE1 PHE A1066      -0.148  13.967 -23.400  1.00 33.77           H  
+ATOM   2814  HE2 PHE A1066       1.283  10.330 -21.668  1.00 33.43           H  
+ATOM   2815  HZ  PHE A1066       1.722  12.536 -22.673  1.00 32.31           H  
+ATOM   2816  N   TRP A1067      -6.162  10.741 -19.915  1.00 22.72           N  
+ATOM   2817  CA  TRP A1067      -7.578  10.512 -19.621  1.00 23.65           C  
+ATOM   2818  C   TRP A1067      -8.135  11.538 -18.616  1.00 26.48           C  
+ATOM   2819  O   TRP A1067      -9.316  11.442 -18.291  1.00 25.01           O  
+ATOM   2820  CB  TRP A1067      -7.777   9.072 -19.090  1.00 21.85           C  
+ATOM   2821  CG  TRP A1067      -7.577   7.977 -20.094  1.00 23.25           C  
+ATOM   2822  CD1 TRP A1067      -8.574   7.326 -20.734  1.00 25.76           C  
+ATOM   2823  CD2 TRP A1067      -6.332   7.436 -20.635  1.00 23.75           C  
+ATOM   2824  NE1 TRP A1067      -8.037   6.437 -21.639  1.00 25.21           N  
+ATOM   2825  CE2 TRP A1067      -6.660   6.462 -21.626  1.00 27.61           C  
+ATOM   2826  CE3 TRP A1067      -4.956   7.669 -20.401  1.00 25.53           C  
+ATOM   2827  CZ2 TRP A1067      -5.679   5.765 -22.352  1.00 27.61           C  
+ATOM   2828  CZ3 TRP A1067      -3.962   6.972 -21.119  1.00 27.51           C  
+ATOM   2829  CH2 TRP A1067      -4.322   6.021 -22.093  1.00 28.26           C  
+ATOM   2830  H   TRP A1067      -5.533  10.572 -19.142  1.00 22.72           H  
+ATOM   2831  HA  TRP A1067      -8.180  10.622 -20.523  1.00 23.65           H  
+ATOM   2832  HB3 TRP A1067      -8.788   8.950 -18.697  1.00 21.85           H  
+ATOM   2833  HB2 TRP A1067      -7.111   8.888 -18.247  1.00 21.85           H  
+ATOM   2834  HD1 TRP A1067      -9.628   7.499 -20.567  1.00 25.76           H  
+ATOM   2835  HE1 TRP A1067      -8.605   5.842 -22.237  1.00 25.21           H  
+ATOM   2836  HE3 TRP A1067      -4.660   8.394 -19.658  1.00 25.53           H  
+ATOM   2837  HZ2 TRP A1067      -5.960   5.042 -23.101  1.00 27.61           H  
+ATOM   2838  HZ3 TRP A1067      -2.919   7.171 -20.920  1.00 27.51           H  
+ATOM   2839  HH2 TRP A1067      -3.558   5.491 -22.641  1.00 28.26           H  
+ATOM   2840  N   TYR A1068      -7.303  12.473 -18.120  1.00 25.06           N  
+ATOM   2841  CA  TYR A1068      -7.669  13.415 -17.059  1.00 24.40           C  
+ATOM   2842  C   TYR A1068      -8.104  14.786 -17.589  1.00 29.09           C  
+ATOM   2843  O   TYR A1068      -7.555  15.289 -18.569  1.00 29.03           O  
+ATOM   2844  CB  TYR A1068      -6.502  13.556 -16.058  1.00 25.40           C  
+ATOM   2845  CG  TYR A1068      -6.394  12.514 -14.949  1.00 26.29           C  
+ATOM   2846  CD1 TYR A1068      -7.155  11.321 -14.956  1.00 27.65           C  
+ATOM   2847  CD2 TYR A1068      -5.534  12.771 -13.860  1.00 27.90           C  
+ATOM   2848  CE1 TYR A1068      -7.082  10.425 -13.876  1.00 28.32           C  
+ATOM   2849  CE2 TYR A1068      -5.456  11.869 -12.781  1.00 27.93           C  
+ATOM   2850  CZ  TYR A1068      -6.241  10.701 -12.783  1.00 32.15           C  
+ATOM   2851  OH  TYR A1068      -6.191   9.841 -11.727  1.00 34.10           O  
+ATOM   2852  H   TYR A1068      -6.349  12.525 -18.451  1.00 25.06           H  
+ATOM   2853  HA  TYR A1068      -8.523  13.010 -16.526  1.00 24.40           H  
+ATOM   2854  HB3 TYR A1068      -6.603  14.507 -15.535  1.00 25.40           H  
+ATOM   2855  HB2 TYR A1068      -5.556  13.631 -16.587  1.00 25.40           H  
+ATOM   2856  HD1 TYR A1068      -7.815  11.075 -15.772  1.00 27.65           H  
+ATOM   2857  HD2 TYR A1068      -4.943  13.676 -13.839  1.00 27.90           H  
+ATOM   2858  HE1 TYR A1068      -7.687   9.531 -13.893  1.00 28.32           H  
+ATOM   2859  HE2 TYR A1068      -4.804  12.083 -11.947  1.00 27.93           H  
+ATOM   2860  HH  TYR A1068      -6.701   9.039 -11.886  1.00 34.10           H  
+ATOM   2861  N   ALA A1069      -9.073  15.367 -16.861  1.00 26.27           N  
+ATOM   2862  CA  ALA A1069      -9.620  16.709 -17.045  1.00 27.33           C  
+ATOM   2863  C   ALA A1069      -8.660  17.812 -16.541  1.00 31.87           C  
+ATOM   2864  O   ALA A1069      -7.783  17.503 -15.733  1.00 30.37           O  
+ATOM   2865  CB  ALA A1069     -10.957  16.764 -16.293  1.00 27.85           C  
+ATOM   2866  H   ALA A1069      -9.458  14.852 -16.078  1.00 26.27           H  
+ATOM   2867  HA  ALA A1069      -9.792  16.825 -18.112  1.00 27.33           H  
+ATOM   2868  HB1 ALA A1069     -11.430  17.741 -16.370  1.00 27.85           H  
+ATOM   2869  HB2 ALA A1069     -11.663  16.034 -16.681  1.00 27.85           H  
+ATOM   2870  HB3 ALA A1069     -10.814  16.540 -15.236  1.00 27.85           H  
+ATOM   2871  N   PRO A1070      -8.838  19.079 -16.995  1.00 28.98           N  
+ATOM   2872  CA  PRO A1070      -7.907  20.184 -16.674  1.00 30.25           C  
+ATOM   2873  C   PRO A1070      -7.698  20.512 -15.183  1.00 34.14           C  
+ATOM   2874  O   PRO A1070      -6.575  20.850 -14.818  1.00 33.30           O  
+ATOM   2875  CB  PRO A1070      -8.462  21.393 -17.448  1.00 33.24           C  
+ATOM   2876  CG  PRO A1070      -9.273  20.784 -18.577  1.00 37.12           C  
+ATOM   2877  CD  PRO A1070      -9.861  19.535 -17.939  1.00 31.16           C  
+ATOM   2878  HA  PRO A1070      -6.942  19.910 -17.105  1.00 30.25           H  
+ATOM   2879  HB3 PRO A1070      -7.676  22.052 -17.818  1.00 33.24           H  
+ATOM   2880  HB2 PRO A1070      -9.120  21.992 -16.817  1.00 33.24           H  
+ATOM   2881  HG3 PRO A1070      -8.600  20.493 -19.383  1.00 37.12           H  
+ATOM   2882  HG2 PRO A1070     -10.024  21.457 -18.989  1.00 37.12           H  
+ATOM   2883  HD2 PRO A1070     -10.770  19.781 -17.388  1.00 31.16           H  
+ATOM   2884  HD3 PRO A1070     -10.114  18.816 -18.713  1.00 31.16           H  
+ATOM   2885  N   GLU A1071      -8.746  20.388 -14.347  1.00 30.48           N  
+ATOM   2886  CA  GLU A1071      -8.678  20.628 -12.899  1.00 31.43           C  
+ATOM   2887  C   GLU A1071      -8.020  19.474 -12.112  1.00 36.54           C  
+ATOM   2888  O   GLU A1071      -7.615  19.701 -10.974  1.00 37.63           O  
+ATOM   2889  CB  GLU A1071     -10.071  21.014 -12.340  1.00 32.56           C  
+ATOM   2890  CG  GLU A1071     -11.119  19.889 -12.156  1.00 35.76           C  
+ATOM   2891  CD  GLU A1071     -11.657  19.230 -13.433  1.00 37.74           C  
+ATOM   2892  OE1 GLU A1071     -11.781  19.913 -14.474  1.00 31.58           O  
+ATOM   2893  OE2 GLU A1071     -11.970  18.026 -13.339  1.00 25.56           O1-
+ATOM   2894  H   GLU A1071      -9.652  20.116 -14.708  1.00 30.48           H  
+ATOM   2895  HA  GLU A1071      -8.038  21.501 -12.750  1.00 31.43           H  
+ATOM   2896  HB3 GLU A1071     -10.494  21.816 -12.943  1.00 32.56           H  
+ATOM   2897  HB2 GLU A1071      -9.918  21.472 -11.362  1.00 32.56           H  
+ATOM   2898  HG3 GLU A1071     -11.984  20.314 -11.646  1.00 35.76           H  
+ATOM   2899  HG2 GLU A1071     -10.731  19.126 -11.478  1.00 35.76           H  
+ATOM   2900  N   CYS A1072      -7.889  18.283 -12.721  1.00 32.49           N  
+ATOM   2901  CA  CYS A1072      -7.131  17.154 -12.168  1.00 32.58           C  
+ATOM   2902  C   CYS A1072      -5.623  17.317 -12.425  1.00 37.39           C  
+ATOM   2903  O   CYS A1072      -4.824  16.850 -11.615  1.00 38.08           O  
+ATOM   2904  CB  CYS A1072      -7.584  15.806 -12.755  1.00 31.25           C  
+ATOM   2905  SG  CYS A1072      -9.349  15.552 -12.465  1.00 34.42           S  
+ATOM   2906  H   CYS A1072      -8.262  18.155 -13.652  1.00 32.49           H  
+ATOM   2907  HA  CYS A1072      -7.284  17.120 -11.088  1.00 32.58           H  
+ATOM   2908  HB3 CYS A1072      -7.035  14.979 -12.302  1.00 31.25           H  
+ATOM   2909  HB2 CYS A1072      -7.403  15.762 -13.828  1.00 31.25           H  
+ATOM   2910  HG  CYS A1072      -9.288  15.632 -11.133  1.00 34.42           H  
+ATOM   2911  N   LEU A1073      -5.271  17.969 -13.546  1.00 33.94           N  
+ATOM   2912  CA  LEU A1073      -3.897  18.226 -13.974  1.00 35.43           C  
+ATOM   2913  C   LEU A1073      -3.299  19.481 -13.312  1.00 43.48           C  
+ATOM   2914  O   LEU A1073      -2.091  19.511 -13.081  1.00 44.33           O  
+ATOM   2915  CB  LEU A1073      -3.876  18.408 -15.508  1.00 35.06           C  
+ATOM   2916  CG  LEU A1073      -4.351  17.195 -16.340  1.00 37.87           C  
+ATOM   2917  CD1 LEU A1073      -4.507  17.583 -17.823  1.00 38.52           C  
+ATOM   2918  CD2 LEU A1073      -3.457  15.955 -16.159  1.00 39.19           C  
+ATOM   2919  H   LEU A1073      -5.994  18.308 -14.164  1.00 33.94           H  
+ATOM   2920  HA  LEU A1073      -3.270  17.375 -13.702  1.00 35.43           H  
+ATOM   2921  HB3 LEU A1073      -2.863  18.662 -15.825  1.00 35.06           H  
+ATOM   2922  HB2 LEU A1073      -4.491  19.273 -15.761  1.00 35.06           H  
+ATOM   2923  HG  LEU A1073      -5.344  16.921 -15.992  1.00 37.87           H  
+ATOM   2924 HD11 LEU A1073      -5.315  17.019 -18.290  1.00 38.52           H  
+ATOM   2925 HD12 LEU A1073      -4.739  18.641 -17.949  1.00 38.52           H  
+ATOM   2926 HD13 LEU A1073      -3.595  17.393 -18.385  1.00 38.52           H  
+ATOM   2927 HD21 LEU A1073      -3.171  15.527 -17.118  1.00 39.19           H  
+ATOM   2928 HD22 LEU A1073      -2.540  16.176 -15.615  1.00 39.19           H  
+ATOM   2929 HD23 LEU A1073      -3.979  15.177 -15.603  1.00 39.19           H  
+ATOM   2930  N   LYS A1074      -4.143  20.500 -13.067  1.00 42.49           N  
+ATOM   2931  CA  LYS A1074      -3.734  21.840 -12.645  1.00 45.58           C  
+ATOM   2932  C   LYS A1074      -3.938  22.043 -11.136  1.00 51.72           C  
+ATOM   2933  O   LYS A1074      -2.977  22.369 -10.442  1.00 52.85           O  
+ATOM   2934  CB  LYS A1074      -4.520  22.874 -13.483  1.00 49.18           C  
+ATOM   2935  CG  LYS A1074      -4.061  24.333 -13.297  1.00 71.38           C  
+ATOM   2936  CD  LYS A1074      -4.733  25.352 -14.242  1.00 85.44           C  
+ATOM   2937  CE  LYS A1074      -6.194  25.715 -13.898  1.00 97.19           C  
+ATOM   2938  NZ  LYS A1074      -7.178  24.738 -14.403  1.00104.18           N1+
+ATOM   2939  H   LYS A1074      -5.117  20.395 -13.315  1.00 42.49           H  
+ATOM   2940  HA  LYS A1074      -2.673  21.983 -12.854  1.00 45.58           H  
+ATOM   2941  HB3 LYS A1074      -5.582  22.784 -13.261  1.00 49.18           H  
+ATOM   2942  HB2 LYS A1074      -4.408  22.616 -14.535  1.00 49.18           H  
+ATOM   2943  HG3 LYS A1074      -2.984  24.376 -13.459  1.00 71.38           H  
+ATOM   2944  HG2 LYS A1074      -4.217  24.648 -12.264  1.00 71.38           H  
+ATOM   2945  HD3 LYS A1074      -4.666  24.998 -15.272  1.00 85.44           H  
+ATOM   2946  HD2 LYS A1074      -4.142  26.268 -14.221  1.00 85.44           H  
+ATOM   2947  HE3 LYS A1074      -6.441  26.675 -14.352  1.00 97.19           H  
+ATOM   2948  HE2 LYS A1074      -6.315  25.838 -12.821  1.00 97.19           H  
+ATOM   2949  HZ1 LYS A1074      -7.139  24.709 -15.415  1.00104.18           H  
+ATOM   2950  HZ2 LYS A1074      -6.978  23.821 -14.032  1.00104.18           H  
+ATOM   2951  HZ3 LYS A1074      -8.108  25.021 -14.127  1.00104.18           H  
+ATOM   2952  N   GLU A1075      -5.185  21.864 -10.666  1.00 48.00           N  
+ATOM   2953  CA  GLU A1075      -5.589  22.078  -9.273  1.00 49.76           C  
+ATOM   2954  C   GLU A1075      -5.474  20.825  -8.391  1.00 53.28           C  
+ATOM   2955  O   GLU A1075      -5.567  20.956  -7.170  1.00 53.10           O  
+ATOM   2956  CB  GLU A1075      -7.031  22.640  -9.249  1.00 51.48           C  
+ATOM   2957  CG  GLU A1075      -7.126  24.123  -9.673  1.00 66.34           C  
+ATOM   2958  CD  GLU A1075      -6.548  25.138  -8.670  1.00 98.88           C  
+ATOM   2959  OE1 GLU A1075      -6.399  24.796  -7.474  1.00 95.63           O  
+ATOM   2960  OE2 GLU A1075      -6.275  26.271  -9.122  1.00 98.68           O1-
+ATOM   2961  H   GLU A1075      -5.919  21.581 -11.298  1.00 48.00           H  
+ATOM   2962  HA  GLU A1075      -4.922  22.813  -8.820  1.00 49.76           H  
+ATOM   2963  HB3 GLU A1075      -7.497  22.494  -8.274  1.00 51.48           H  
+ATOM   2964  HB2 GLU A1075      -7.651  22.063  -9.934  1.00 51.48           H  
+ATOM   2965  HG3 GLU A1075      -8.176  24.377  -9.823  1.00 66.34           H  
+ATOM   2966  HG2 GLU A1075      -6.645  24.256 -10.644  1.00 66.34           H  
+ATOM   2967  N   TYR A1076      -5.286  19.648  -9.015  1.00 50.13           N  
+ATOM   2968  CA  TYR A1076      -5.192  18.331  -8.379  1.00 50.19           C  
+ATOM   2969  C   TYR A1076      -6.454  17.958  -7.578  1.00 52.11           C  
+ATOM   2970  O   TYR A1076      -6.336  17.368  -6.508  1.00 53.52           O  
+ATOM   2971  CB  TYR A1076      -3.883  18.203  -7.559  1.00 54.13           C  
+ATOM   2972  CG  TYR A1076      -2.622  18.455  -8.365  1.00 57.78           C  
+ATOM   2973  CD1 TYR A1076      -1.916  19.668  -8.221  1.00 62.12           C  
+ATOM   2974  CD2 TYR A1076      -2.165  17.484  -9.279  1.00 57.80           C  
+ATOM   2975  CE1 TYR A1076      -0.763  19.910  -8.991  1.00 64.82           C  
+ATOM   2976  CE2 TYR A1076      -1.013  17.727 -10.051  1.00 59.85           C  
+ATOM   2977  CZ  TYR A1076      -0.313  18.941  -9.909  1.00 71.28           C  
+ATOM   2978  OH  TYR A1076       0.803  19.180 -10.657  1.00 75.29           O  
+ATOM   2979  H   TYR A1076      -5.216  19.646 -10.023  1.00 50.13           H  
+ATOM   2980  HA  TYR A1076      -5.143  17.606  -9.189  1.00 50.19           H  
+ATOM   2981  HB3 TYR A1076      -3.802  17.200  -7.142  1.00 54.13           H  
+ATOM   2982  HB2 TYR A1076      -3.899  18.878  -6.703  1.00 54.13           H  
+ATOM   2983  HD1 TYR A1076      -2.263  20.422  -7.529  1.00 62.12           H  
+ATOM   2984  HD2 TYR A1076      -2.703  16.555  -9.399  1.00 57.80           H  
+ATOM   2985  HE1 TYR A1076      -0.228  20.842  -8.881  1.00 64.82           H  
+ATOM   2986  HE2 TYR A1076      -0.674  16.981 -10.755  1.00 59.85           H  
+ATOM   2987  HH  TYR A1076       1.023  18.456 -11.247  1.00 75.29           H  
+ATOM   2988  N   LYS A1077      -7.633  18.303  -8.120  1.00 44.81           N  
+ATOM   2989  CA  LYS A1077      -8.943  17.969  -7.564  1.00 43.60           C  
+ATOM   2990  C   LYS A1077      -9.653  17.022  -8.533  1.00 41.76           C  
+ATOM   2991  O   LYS A1077      -9.719  17.323  -9.725  1.00 38.21           O  
+ATOM   2992  CB  LYS A1077      -9.781  19.250  -7.394  1.00 46.62           C  
+ATOM   2993  CG  LYS A1077      -9.229  20.227  -6.348  1.00 58.33           C  
+ATOM   2994  CD  LYS A1077     -10.183  21.415  -6.132  1.00 67.59           C  
+ATOM   2995  CE  LYS A1077      -9.691  22.437  -5.095  1.00 79.50           C  
+ATOM   2996  NZ  LYS A1077      -8.544  23.223  -5.586  1.00 87.69           N1+
+ATOM   2997  H   LYS A1077      -7.646  18.785  -9.009  1.00 44.81           H  
+ATOM   2998  HA  LYS A1077      -8.847  17.481  -6.593  1.00 43.60           H  
+ATOM   2999  HB3 LYS A1077     -10.792  18.968  -7.093  1.00 46.62           H  
+ATOM   3000  HB2 LYS A1077      -9.877  19.763  -8.352  1.00 46.62           H  
+ATOM   3001  HG3 LYS A1077      -8.251  20.586  -6.668  1.00 58.33           H  
+ATOM   3002  HG2 LYS A1077      -9.071  19.704  -5.404  1.00 58.33           H  
+ATOM   3003  HD3 LYS A1077     -11.153  21.034  -5.808  1.00 67.59           H  
+ATOM   3004  HD2 LYS A1077     -10.373  21.911  -7.085  1.00 67.59           H  
+ATOM   3005  HE3 LYS A1077      -9.419  21.937  -4.165  1.00 79.50           H  
+ATOM   3006  HE2 LYS A1077     -10.497  23.132  -4.858  1.00 79.50           H  
+ATOM   3007  HZ1 LYS A1077      -8.800  23.716  -6.430  1.00 87.69           H  
+ATOM   3008  HZ2 LYS A1077      -8.261  23.896  -4.890  1.00 87.69           H  
+ATOM   3009  HZ3 LYS A1077      -7.768  22.610  -5.793  1.00 87.69           H  
+ATOM   3010  N   PHE A1078     -10.189  15.916  -7.998  1.00 36.93           N  
+ATOM   3011  CA  PHE A1078     -10.906  14.908  -8.767  1.00 34.49           C  
+ATOM   3012  C   PHE A1078     -12.348  14.856  -8.243  1.00 39.60           C  
+ATOM   3013  O   PHE A1078     -12.591  14.358  -7.144  1.00 40.48           O  
+ATOM   3014  CB  PHE A1078     -10.169  13.558  -8.637  1.00 35.26           C  
+ATOM   3015  CG  PHE A1078     -10.493  12.597  -9.762  1.00 34.98           C  
+ATOM   3016  CD1 PHE A1078      -9.608  12.458 -10.852  1.00 36.30           C  
+ATOM   3017  CD2 PHE A1078     -11.754  11.971  -9.820  1.00 35.94           C  
+ATOM   3018  CE1 PHE A1078      -9.975  11.695 -11.950  1.00 35.94           C  
+ATOM   3019  CE2 PHE A1078     -12.099  11.211 -10.923  1.00 37.30           C  
+ATOM   3020  CZ  PHE A1078     -11.220  11.082 -11.990  1.00 34.53           C  
+ATOM   3021  H   PHE A1078     -10.087  15.731  -7.008  1.00 36.93           H  
+ATOM   3022  HA  PHE A1078     -10.925  15.177  -9.825  1.00 34.49           H  
+ATOM   3023  HB3 PHE A1078     -10.387  13.080  -7.681  1.00 35.26           H  
+ATOM   3024  HB2 PHE A1078      -9.093  13.726  -8.646  1.00 35.26           H  
+ATOM   3025  HD1 PHE A1078      -8.650  12.958 -10.847  1.00 36.30           H  
+ATOM   3026  HD2 PHE A1078     -12.469  12.100  -9.023  1.00 35.94           H  
+ATOM   3027  HE1 PHE A1078      -9.301  11.595 -12.787  1.00 35.94           H  
+ATOM   3028  HE2 PHE A1078     -13.074  10.756 -10.953  1.00 37.30           H  
+ATOM   3029  HZ  PHE A1078     -11.506  10.510 -12.860  1.00 34.53           H  
+ATOM   3030  N   TYR A1079     -13.265  15.380  -9.067  1.00 35.49           N  
+ATOM   3031  CA  TYR A1079     -14.712  15.425  -8.861  1.00 35.71           C  
+ATOM   3032  C   TYR A1079     -15.384  14.140  -9.384  1.00 36.13           C  
+ATOM   3033  O   TYR A1079     -14.722  13.297  -9.988  1.00 33.76           O  
+ATOM   3034  CB  TYR A1079     -15.265  16.668  -9.605  1.00 37.14           C  
+ATOM   3035  CG  TYR A1079     -14.767  18.014  -9.097  1.00 41.82           C  
+ATOM   3036  CD1 TYR A1079     -15.588  18.802  -8.262  1.00 45.55           C  
+ATOM   3037  CD2 TYR A1079     -13.486  18.488  -9.457  1.00 42.95           C  
+ATOM   3038  CE1 TYR A1079     -15.123  20.038  -7.770  1.00 48.19           C  
+ATOM   3039  CE2 TYR A1079     -13.019  19.719  -8.957  1.00 44.97           C  
+ATOM   3040  CZ  TYR A1079     -13.833  20.491  -8.107  1.00 54.63           C  
+ATOM   3041  OH  TYR A1079     -13.371  21.675  -7.611  1.00 58.40           O  
+ATOM   3042  H   TYR A1079     -12.957  15.727  -9.967  1.00 35.49           H  
+ATOM   3043  HA  TYR A1079     -14.920  15.514  -7.797  1.00 35.71           H  
+ATOM   3044  HB3 TYR A1079     -16.354  16.683  -9.545  1.00 37.14           H  
+ATOM   3045  HB2 TYR A1079     -15.035  16.600 -10.670  1.00 37.14           H  
+ATOM   3046  HD1 TYR A1079     -16.573  18.456  -7.983  1.00 45.55           H  
+ATOM   3047  HD2 TYR A1079     -12.851  17.907 -10.110  1.00 42.95           H  
+ATOM   3048  HE1 TYR A1079     -15.755  20.630  -7.125  1.00 48.19           H  
+ATOM   3049  HE2 TYR A1079     -12.034  20.069  -9.227  1.00 44.97           H  
+ATOM   3050  HH  TYR A1079     -14.013  22.122  -7.054  1.00 58.40           H  
+ATOM   3051  N   TYR A1080     -16.711  14.029  -9.206  1.00 32.40           N  
+ATOM   3052  CA  TYR A1080     -17.529  13.044  -9.929  1.00 30.87           C  
+ATOM   3053  C   TYR A1080     -17.574  13.332 -11.443  1.00 32.51           C  
+ATOM   3054  O   TYR A1080     -17.491  12.397 -12.236  1.00 30.72           O  
+ATOM   3055  CB  TYR A1080     -18.952  13.003  -9.343  1.00 32.98           C  
+ATOM   3056  CG  TYR A1080     -19.039  12.486  -7.919  1.00 35.85           C  
+ATOM   3057  CD1 TYR A1080     -18.706  11.144  -7.634  1.00 37.45           C  
+ATOM   3058  CD2 TYR A1080     -19.471  13.335  -6.879  1.00 38.07           C  
+ATOM   3059  CE1 TYR A1080     -18.825  10.648  -6.322  1.00 40.49           C  
+ATOM   3060  CE2 TYR A1080     -19.588  12.839  -5.567  1.00 40.41           C  
+ATOM   3061  CZ  TYR A1080     -19.274  11.494  -5.291  1.00 44.30           C  
+ATOM   3062  OH  TYR A1080     -19.405  11.013  -4.024  1.00 44.69           O  
+ATOM   3063  H   TYR A1080     -17.210  14.719  -8.662  1.00 32.40           H  
+ATOM   3064  HA  TYR A1080     -17.073  12.061  -9.798  1.00 30.87           H  
+ATOM   3065  HB3 TYR A1080     -19.580  12.352  -9.953  1.00 32.98           H  
+ATOM   3066  HB2 TYR A1080     -19.408  13.992  -9.401  1.00 32.98           H  
+ATOM   3067  HD1 TYR A1080     -18.365  10.488  -8.420  1.00 37.45           H  
+ATOM   3068  HD2 TYR A1080     -19.724  14.365  -7.083  1.00 38.07           H  
+ATOM   3069  HE1 TYR A1080     -18.579   9.617  -6.113  1.00 40.49           H  
+ATOM   3070  HE2 TYR A1080     -19.926  13.490  -4.774  1.00 40.41           H  
+ATOM   3071  HH  TYR A1080     -19.110  10.104  -3.937  1.00 44.69           H  
+ATOM   3072  N   ALA A1081     -17.619  14.623 -11.815  1.00 29.56           N  
+ATOM   3073  CA  ALA A1081     -17.528  15.096 -13.196  1.00 27.95           C  
+ATOM   3074  C   ALA A1081     -16.188  14.774 -13.886  1.00 27.99           C  
+ATOM   3075  O   ALA A1081     -16.144  14.763 -15.112  1.00 26.14           O  
+ATOM   3076  CB  ALA A1081     -17.792  16.608 -13.213  1.00 28.95           C  
+ATOM   3077  H   ALA A1081     -17.680  15.338 -11.106  1.00 29.56           H  
+ATOM   3078  HA  ALA A1081     -18.318  14.606 -13.768  1.00 27.95           H  
+ATOM   3079  HB1 ALA A1081     -17.810  16.997 -14.232  1.00 28.95           H  
+ATOM   3080  HB2 ALA A1081     -18.757  16.841 -12.763  1.00 28.95           H  
+ATOM   3081  HB3 ALA A1081     -17.029  17.156 -12.659  1.00 28.95           H  
+ATOM   3082  N   SER A1082     -15.118  14.521 -13.114  1.00 25.39           N  
+ATOM   3083  CA  SER A1082     -13.793  14.175 -13.634  1.00 24.95           C  
+ATOM   3084  C   SER A1082     -13.761  12.774 -14.278  1.00 27.35           C  
+ATOM   3085  O   SER A1082     -13.076  12.600 -15.285  1.00 26.99           O  
+ATOM   3086  CB  SER A1082     -12.771  14.284 -12.496  1.00 28.68           C  
+ATOM   3087  OG  SER A1082     -12.742  15.589 -11.958  1.00 33.92           O  
+ATOM   3088  H   SER A1082     -15.206  14.540 -12.108  1.00 25.39           H  
+ATOM   3089  HA  SER A1082     -13.522  14.898 -14.406  1.00 24.95           H  
+ATOM   3090  HB3 SER A1082     -11.774  14.031 -12.844  1.00 28.68           H  
+ATOM   3091  HB2 SER A1082     -13.004  13.589 -11.699  1.00 28.68           H  
+ATOM   3092  HG  SER A1082     -12.341  16.193 -12.596  1.00 33.92           H  
+ATOM   3093  N   ASP A1083     -14.547  11.823 -13.740  1.00 23.13           N  
+ATOM   3094  CA  ASP A1083     -14.801  10.516 -14.358  1.00 22.18           C  
+ATOM   3095  C   ASP A1083     -15.621  10.597 -15.657  1.00 25.02           C  
+ATOM   3096  O   ASP A1083     -15.451   9.717 -16.496  1.00 23.63           O  
+ATOM   3097  CB  ASP A1083     -15.485   9.520 -13.393  1.00 24.19           C  
+ATOM   3098  CG  ASP A1083     -14.607   8.951 -12.272  1.00 28.00           C  
+ATOM   3099  OD1 ASP A1083     -13.441   8.595 -12.548  1.00 27.87           O  
+ATOM   3100  OD2 ASP A1083     -15.161   8.727 -11.177  1.00 31.18           O1-
+ATOM   3101  H   ASP A1083     -15.087  12.032 -12.912  1.00 23.13           H  
+ATOM   3102  HA  ASP A1083     -13.830  10.111 -14.648  1.00 22.18           H  
+ATOM   3103  HB3 ASP A1083     -15.882   8.674 -13.951  1.00 24.19           H  
+ATOM   3104  HB2 ASP A1083     -16.340  10.019 -12.936  1.00 24.19           H  
+ATOM   3105  N   VAL A1084     -16.472  11.629 -15.824  1.00 23.20           N  
+ATOM   3106  CA  VAL A1084     -17.230  11.864 -17.061  1.00 22.46           C  
+ATOM   3107  C   VAL A1084     -16.304  12.246 -18.235  1.00 25.25           C  
+ATOM   3108  O   VAL A1084     -16.537  11.767 -19.345  1.00 23.49           O  
+ATOM   3109  CB  VAL A1084     -18.326  12.956 -16.899  1.00 25.40           C  
+ATOM   3110  CG1 VAL A1084     -19.030  13.368 -18.211  1.00 24.52           C  
+ATOM   3111  CG2 VAL A1084     -19.367  12.540 -15.842  1.00 25.38           C  
+ATOM   3112  H   VAL A1084     -16.573  12.320 -15.095  1.00 23.20           H  
+ATOM   3113  HA  VAL A1084     -17.732  10.931 -17.323  1.00 22.46           H  
+ATOM   3114  HB  VAL A1084     -17.854  13.862 -16.534  1.00 25.40           H  
+ATOM   3115 HG11 VAL A1084     -19.754  14.158 -18.030  1.00 24.52           H  
+ATOM   3116 HG12 VAL A1084     -18.343  13.782 -18.947  1.00 24.52           H  
+ATOM   3117 HG13 VAL A1084     -19.551  12.528 -18.670  1.00 24.52           H  
+ATOM   3118 HG21 VAL A1084     -20.060  13.354 -15.634  1.00 25.38           H  
+ATOM   3119 HG22 VAL A1084     -19.950  11.679 -16.173  1.00 25.38           H  
+ATOM   3120 HG23 VAL A1084     -18.899  12.280 -14.892  1.00 25.38           H  
+ATOM   3121  N   TRP A1085     -15.248  13.038 -17.962  1.00 23.54           N  
+ATOM   3122  CA  TRP A1085     -14.170  13.324 -18.914  1.00 23.20           C  
+ATOM   3123  C   TRP A1085     -13.433  12.047 -19.335  1.00 25.99           C  
+ATOM   3124  O   TRP A1085     -13.230  11.842 -20.531  1.00 26.38           O  
+ATOM   3125  CB  TRP A1085     -13.211  14.394 -18.346  1.00 22.62           C  
+ATOM   3126  CG  TRP A1085     -12.091  14.851 -19.246  1.00 22.84           C  
+ATOM   3127  CD1 TRP A1085     -11.037  14.099 -19.640  1.00 25.30           C  
+ATOM   3128  CD2 TRP A1085     -11.897  16.153 -19.882  1.00 22.79           C  
+ATOM   3129  NE1 TRP A1085     -10.244  14.812 -20.508  1.00 24.54           N  
+ATOM   3130  CE2 TRP A1085     -10.726  16.086 -20.698  1.00 26.50           C  
+ATOM   3131  CE3 TRP A1085     -12.581  17.390 -19.855  1.00 24.28           C  
+ATOM   3132  CZ2 TRP A1085     -10.282  17.172 -21.467  1.00 26.19           C  
+ATOM   3133  CZ3 TRP A1085     -12.134  18.493 -20.612  1.00 25.94           C  
+ATOM   3134  CH2 TRP A1085     -10.989  18.385 -21.423  1.00 26.22           C  
+ATOM   3135  H   TRP A1085     -15.123  13.393 -17.024  1.00 23.54           H  
+ATOM   3136  HA  TRP A1085     -14.619  13.725 -19.819  1.00 23.20           H  
+ATOM   3137  HB3 TRP A1085     -12.760  14.034 -17.421  1.00 22.62           H  
+ATOM   3138  HB2 TRP A1085     -13.789  15.277 -18.071  1.00 22.62           H  
+ATOM   3139  HD1 TRP A1085     -10.868  13.079 -19.336  1.00 25.30           H  
+ATOM   3140  HE1 TRP A1085      -9.406  14.429 -20.924  1.00 24.54           H  
+ATOM   3141  HE3 TRP A1085     -13.466  17.489 -19.248  1.00 24.28           H  
+ATOM   3142  HZ2 TRP A1085      -9.401  17.070 -22.079  1.00 26.19           H  
+ATOM   3143  HZ3 TRP A1085     -12.672  19.427 -20.573  1.00 25.94           H  
+ATOM   3144  HH2 TRP A1085     -10.652  19.231 -22.001  1.00 26.22           H  
+ATOM   3145  N   SER A1086     -13.079  11.209 -18.347  1.00 23.27           N  
+ATOM   3146  CA  SER A1086     -12.407   9.928 -18.550  1.00 22.29           C  
+ATOM   3147  C   SER A1086     -13.270   8.924 -19.338  1.00 25.76           C  
+ATOM   3148  O   SER A1086     -12.706   8.162 -20.119  1.00 25.35           O  
+ATOM   3149  CB  SER A1086     -11.989   9.349 -17.189  1.00 24.31           C  
+ATOM   3150  OG  SER A1086     -11.166  10.252 -16.476  1.00 27.11           O  
+ATOM   3151  H   SER A1086     -13.267  11.460 -17.386  1.00 23.27           H  
+ATOM   3152  HA  SER A1086     -11.506  10.115 -19.138  1.00 22.29           H  
+ATOM   3153  HB3 SER A1086     -11.427   8.427 -17.330  1.00 24.31           H  
+ATOM   3154  HB2 SER A1086     -12.859   9.106 -16.580  1.00 24.31           H  
+ATOM   3155  HG  SER A1086     -10.432  10.513 -17.045  1.00 27.11           H  
+ATOM   3156  N   PHE A1087     -14.608   8.987 -19.178  1.00 22.49           N  
+ATOM   3157  CA  PHE A1087     -15.587   8.284 -20.009  1.00 21.87           C  
+ATOM   3158  C   PHE A1087     -15.611   8.758 -21.470  1.00 26.76           C  
+ATOM   3159  O   PHE A1087     -15.767   7.919 -22.352  1.00 27.22           O  
+ATOM   3160  CB  PHE A1087     -16.997   8.277 -19.363  1.00 24.21           C  
+ATOM   3161  CG  PHE A1087     -18.139   7.909 -20.302  1.00 25.86           C  
+ATOM   3162  CD1 PHE A1087     -18.283   6.574 -20.739  1.00 28.01           C  
+ATOM   3163  CD2 PHE A1087     -18.906   8.919 -20.923  1.00 26.70           C  
+ATOM   3164  CE1 PHE A1087     -19.176   6.268 -21.756  1.00 28.28           C  
+ATOM   3165  CE2 PHE A1087     -19.800   8.591 -21.933  1.00 28.37           C  
+ATOM   3166  CZ  PHE A1087     -19.926   7.273 -22.354  1.00 26.26           C  
+ATOM   3167  H   PHE A1087     -14.990   9.621 -18.488  1.00 22.49           H  
+ATOM   3168  HA  PHE A1087     -15.269   7.240 -20.041  1.00 21.87           H  
+ATOM   3169  HB3 PHE A1087     -17.217   9.240 -18.905  1.00 24.21           H  
+ATOM   3170  HB2 PHE A1087     -17.006   7.553 -18.552  1.00 24.21           H  
+ATOM   3171  HD1 PHE A1087     -17.667   5.797 -20.315  1.00 28.01           H  
+ATOM   3172  HD2 PHE A1087     -18.776   9.952 -20.635  1.00 26.70           H  
+ATOM   3173  HE1 PHE A1087     -19.273   5.248 -22.095  1.00 28.28           H  
+ATOM   3174  HE2 PHE A1087     -20.382   9.367 -22.408  1.00 28.37           H  
+ATOM   3175  HZ  PHE A1087     -20.610   7.032 -23.154  1.00 26.26           H  
+ATOM   3176  N   GLY A1088     -15.450  10.070 -21.709  1.00 25.20           N  
+ATOM   3177  CA  GLY A1088     -15.385  10.645 -23.053  1.00 24.53           C  
+ATOM   3178  C   GLY A1088     -14.131  10.156 -23.796  1.00 25.56           C  
+ATOM   3179  O   GLY A1088     -14.205   9.891 -24.994  1.00 24.64           O  
+ATOM   3180  H   GLY A1088     -15.345  10.707 -20.930  1.00 25.20           H  
+ATOM   3181  HA3 GLY A1088     -15.359  11.732 -22.975  1.00 24.53           H  
+ATOM   3182  HA2 GLY A1088     -16.283  10.384 -23.615  1.00 24.53           H  
+ATOM   3183  N   VAL A1089     -13.001   9.999 -23.080  1.00 22.27           N  
+ATOM   3184  CA  VAL A1089     -11.755   9.447 -23.616  1.00 21.54           C  
+ATOM   3185  C   VAL A1089     -11.816   7.906 -23.762  1.00 25.32           C  
+ATOM   3186  O   VAL A1089     -11.212   7.381 -24.695  1.00 25.91           O  
+ATOM   3187  CB  VAL A1089     -10.513   9.858 -22.769  1.00 24.92           C  
+ATOM   3188  CG1 VAL A1089      -9.183   9.337 -23.345  1.00 24.42           C  
+ATOM   3189  CG2 VAL A1089     -10.398  11.388 -22.628  1.00 24.24           C  
+ATOM   3190  H   VAL A1089     -13.002  10.231 -22.095  1.00 22.27           H  
+ATOM   3191  HA  VAL A1089     -11.608   9.856 -24.615  1.00 21.54           H  
+ATOM   3192  HB  VAL A1089     -10.623   9.444 -21.765  1.00 24.92           H  
+ATOM   3193 HG11 VAL A1089      -8.331   9.673 -22.754  1.00 24.42           H  
+ATOM   3194 HG12 VAL A1089      -9.137   8.251 -23.366  1.00 24.42           H  
+ATOM   3195 HG13 VAL A1089      -9.036   9.694 -24.364  1.00 24.42           H  
+ATOM   3196 HG21 VAL A1089      -9.485  11.676 -22.108  1.00 24.24           H  
+ATOM   3197 HG22 VAL A1089     -10.385  11.875 -23.603  1.00 24.24           H  
+ATOM   3198 HG23 VAL A1089     -11.223  11.805 -22.057  1.00 24.24           H  
+ATOM   3199  N   THR A1090     -12.593   7.214 -22.906  1.00 22.27           N  
+ATOM   3200  CA  THR A1090     -12.893   5.783 -23.050  1.00 21.73           C  
+ATOM   3201  C   THR A1090     -13.783   5.509 -24.277  1.00 24.89           C  
+ATOM   3202  O   THR A1090     -13.476   4.596 -25.036  1.00 24.37           O  
+ATOM   3203  CB  THR A1090     -13.613   5.183 -21.810  1.00 26.43           C  
+ATOM   3204  OG1 THR A1090     -12.827   5.391 -20.661  1.00 23.21           O  
+ATOM   3205  CG2 THR A1090     -13.896   3.670 -21.886  1.00 26.50           C  
+ATOM   3206  H   THR A1090     -13.057   7.698 -22.150  1.00 22.27           H  
+ATOM   3207  HA  THR A1090     -11.949   5.252 -23.188  1.00 21.73           H  
+ATOM   3208  HB  THR A1090     -14.559   5.696 -21.645  1.00 26.43           H  
+ATOM   3209  HG1 THR A1090     -12.719   6.338 -20.518  1.00 23.21           H  
+ATOM   3210 HG21 THR A1090     -14.264   3.296 -20.930  1.00 26.50           H  
+ATOM   3211 HG22 THR A1090     -14.650   3.431 -22.636  1.00 26.50           H  
+ATOM   3212 HG23 THR A1090     -12.992   3.112 -22.132  1.00 26.50           H  
+ATOM   3213  N   LEU A1091     -14.829   6.332 -24.467  1.00 21.38           N  
+ATOM   3214  CA  LEU A1091     -15.745   6.320 -25.609  1.00 21.26           C  
+ATOM   3215  C   LEU A1091     -15.020   6.599 -26.937  1.00 25.55           C  
+ATOM   3216  O   LEU A1091     -15.332   5.948 -27.932  1.00 24.92           O  
+ATOM   3217  CB  LEU A1091     -16.892   7.325 -25.339  1.00 21.18           C  
+ATOM   3218  CG  LEU A1091     -18.034   7.349 -26.382  1.00 26.34           C  
+ATOM   3219  CD1 LEU A1091     -18.730   5.979 -26.497  1.00 27.66           C  
+ATOM   3220  CD2 LEU A1091     -19.033   8.487 -26.080  1.00 28.91           C  
+ATOM   3221  H   LEU A1091     -15.019   7.045 -23.773  1.00 21.38           H  
+ATOM   3222  HA  LEU A1091     -16.162   5.313 -25.666  1.00 21.26           H  
+ATOM   3223  HB3 LEU A1091     -16.466   8.326 -25.257  1.00 21.18           H  
+ATOM   3224  HB2 LEU A1091     -17.330   7.110 -24.363  1.00 21.18           H  
+ATOM   3225  HG  LEU A1091     -17.602   7.577 -27.356  1.00 26.34           H  
+ATOM   3226 HD11 LEU A1091     -19.813   6.060 -26.590  1.00 27.66           H  
+ATOM   3227 HD12 LEU A1091     -18.377   5.432 -27.370  1.00 27.66           H  
+ATOM   3228 HD13 LEU A1091     -18.523   5.355 -25.628  1.00 27.66           H  
+ATOM   3229 HD21 LEU A1091     -19.140   9.146 -26.942  1.00 28.91           H  
+ATOM   3230 HD22 LEU A1091     -20.028   8.121 -25.826  1.00 28.91           H  
+ATOM   3231 HD23 LEU A1091     -18.708   9.107 -25.243  1.00 28.91           H  
+ATOM   3232  N   TYR A1092     -14.024   7.504 -26.907  1.00 23.80           N  
+ATOM   3233  CA  TYR A1092     -13.089   7.753 -28.003  1.00 23.59           C  
+ATOM   3234  C   TYR A1092     -12.306   6.489 -28.397  1.00 28.07           C  
+ATOM   3235  O   TYR A1092     -12.282   6.162 -29.582  1.00 28.26           O  
+ATOM   3236  CB  TYR A1092     -12.168   8.941 -27.648  1.00 24.03           C  
+ATOM   3237  CG  TYR A1092     -11.025   9.192 -28.616  1.00 25.49           C  
+ATOM   3238  CD1 TYR A1092     -11.287   9.696 -29.905  1.00 27.64           C  
+ATOM   3239  CD2 TYR A1092      -9.702   8.876 -28.243  1.00 25.28           C  
+ATOM   3240  CE1 TYR A1092     -10.233   9.864 -30.822  1.00 27.61           C  
+ATOM   3241  CE2 TYR A1092      -8.647   9.062 -29.155  1.00 25.84           C  
+ATOM   3242  CZ  TYR A1092      -8.915   9.554 -30.448  1.00 31.24           C  
+ATOM   3243  OH  TYR A1092      -7.909   9.719 -31.350  1.00 30.99           O  
+ATOM   3244  H   TYR A1092     -13.848   8.011 -26.050  1.00 23.80           H  
+ATOM   3245  HA  TYR A1092     -13.688   8.047 -28.868  1.00 23.59           H  
+ATOM   3246  HB3 TYR A1092     -11.730   8.777 -26.669  1.00 24.03           H  
+ATOM   3247  HB2 TYR A1092     -12.754   9.851 -27.542  1.00 24.03           H  
+ATOM   3248  HD1 TYR A1092     -12.297   9.924 -30.208  1.00 27.64           H  
+ATOM   3249  HD2 TYR A1092      -9.495   8.481 -27.260  1.00 25.28           H  
+ATOM   3250  HE1 TYR A1092     -10.434  10.207 -31.825  1.00 27.61           H  
+ATOM   3251  HE2 TYR A1092      -7.637   8.820 -28.857  1.00 25.84           H  
+ATOM   3252  HH  TYR A1092      -7.096   9.292 -31.059  1.00 30.99           H  
+ATOM   3253  N   GLU A1093     -11.739   5.775 -27.406  1.00 24.82           N  
+ATOM   3254  CA  GLU A1093     -11.058   4.494 -27.611  1.00 23.87           C  
+ATOM   3255  C   GLU A1093     -11.946   3.400 -28.227  1.00 29.02           C  
+ATOM   3256  O   GLU A1093     -11.450   2.684 -29.091  1.00 29.63           O  
+ATOM   3257  CB  GLU A1093     -10.397   3.986 -26.317  1.00 24.44           C  
+ATOM   3258  CG  GLU A1093      -9.179   4.808 -25.867  1.00 27.04           C  
+ATOM   3259  CD  GLU A1093      -8.561   4.212 -24.600  1.00 39.48           C  
+ATOM   3260  OE1 GLU A1093      -9.168   4.384 -23.519  1.00 26.77           O  
+ATOM   3261  OE2 GLU A1093      -7.496   3.567 -24.730  1.00 32.38           O1-
+ATOM   3262  H   GLU A1093     -11.802   6.100 -26.450  1.00 24.82           H  
+ATOM   3263  HA  GLU A1093     -10.254   4.683 -28.324  1.00 23.87           H  
+ATOM   3264  HB3 GLU A1093     -10.085   2.949 -26.449  1.00 24.44           H  
+ATOM   3265  HB2 GLU A1093     -11.128   3.966 -25.513  1.00 24.44           H  
+ATOM   3266  HG3 GLU A1093      -9.451   5.846 -25.683  1.00 27.04           H  
+ATOM   3267  HG2 GLU A1093      -8.438   4.829 -26.667  1.00 27.04           H  
+ATOM   3268  N   LEU A1094     -13.229   3.304 -27.826  1.00 26.56           N  
+ATOM   3269  CA  LEU A1094     -14.162   2.314 -28.382  1.00 27.12           C  
+ATOM   3270  C   LEU A1094     -14.446   2.543 -29.878  1.00 29.23           C  
+ATOM   3271  O   LEU A1094     -14.456   1.573 -30.634  1.00 30.58           O  
+ATOM   3272  CB  LEU A1094     -15.493   2.254 -27.592  1.00 27.75           C  
+ATOM   3273  CG  LEU A1094     -15.398   2.011 -26.068  1.00 33.45           C  
+ATOM   3274  CD1 LEU A1094     -16.771   1.648 -25.465  1.00 34.25           C  
+ATOM   3275  CD2 LEU A1094     -14.313   1.001 -25.656  1.00 37.20           C  
+ATOM   3276  H   LEU A1094     -13.583   3.919 -27.106  1.00 26.56           H  
+ATOM   3277  HA  LEU A1094     -13.679   1.339 -28.302  1.00 27.12           H  
+ATOM   3278  HB3 LEU A1094     -16.088   1.450 -28.026  1.00 27.75           H  
+ATOM   3279  HB2 LEU A1094     -16.069   3.165 -27.760  1.00 27.75           H  
+ATOM   3280  HG  LEU A1094     -15.130   2.961 -25.620  1.00 33.45           H  
+ATOM   3281 HD11 LEU A1094     -17.030   2.324 -24.649  1.00 34.25           H  
+ATOM   3282 HD12 LEU A1094     -17.573   1.715 -26.201  1.00 34.25           H  
+ATOM   3283 HD13 LEU A1094     -16.787   0.634 -25.065  1.00 34.25           H  
+ATOM   3284 HD21 LEU A1094     -14.453   0.677 -24.626  1.00 37.20           H  
+ATOM   3285 HD22 LEU A1094     -14.323   0.116 -26.291  1.00 37.20           H  
+ATOM   3286 HD23 LEU A1094     -13.318   1.445 -25.708  1.00 37.20           H  
+ATOM   3287  N   LEU A1095     -14.634   3.815 -30.277  1.00 26.35           N  
+ATOM   3288  CA  LEU A1095     -14.922   4.222 -31.655  1.00 28.85           C  
+ATOM   3289  C   LEU A1095     -13.691   4.141 -32.587  1.00 32.34           C  
+ATOM   3290  O   LEU A1095     -13.884   3.924 -33.783  1.00 33.48           O  
+ATOM   3291  CB  LEU A1095     -15.551   5.639 -31.667  1.00 29.95           C  
+ATOM   3292  CG  LEU A1095     -17.086   5.741 -31.465  1.00 37.01           C  
+ATOM   3293  CD1 LEU A1095     -17.894   4.984 -32.537  1.00 41.99           C  
+ATOM   3294  CD2 LEU A1095     -17.578   5.411 -30.046  1.00 37.43           C  
+ATOM   3295  H   LEU A1095     -14.600   4.558 -29.591  1.00 26.35           H  
+ATOM   3296  HA  LEU A1095     -15.647   3.513 -32.057  1.00 28.85           H  
+ATOM   3297  HB3 LEU A1095     -15.348   6.103 -32.633  1.00 29.95           H  
+ATOM   3298  HB2 LEU A1095     -15.044   6.272 -30.937  1.00 29.95           H  
+ATOM   3299  HG  LEU A1095     -17.324   6.795 -31.611  1.00 37.01           H  
+ATOM   3300 HD11 LEU A1095     -18.607   5.649 -33.025  1.00 41.99           H  
+ATOM   3301 HD12 LEU A1095     -17.259   4.570 -33.315  1.00 41.99           H  
+ATOM   3302 HD13 LEU A1095     -18.455   4.148 -32.117  1.00 41.99           H  
+ATOM   3303 HD21 LEU A1095     -18.592   5.010 -30.043  1.00 37.43           H  
+ATOM   3304 HD22 LEU A1095     -16.952   4.683 -29.540  1.00 37.43           H  
+ATOM   3305 HD23 LEU A1095     -17.598   6.316 -29.439  1.00 37.43           H  
+ATOM   3306  N   THR A1096     -12.463   4.270 -32.048  1.00 28.49           N  
+ATOM   3307  CA  THR A1096     -11.211   4.010 -32.781  1.00 28.46           C  
+ATOM   3308  C   THR A1096     -10.827   2.509 -32.803  1.00 34.09           C  
+ATOM   3309  O   THR A1096      -9.838   2.164 -33.450  1.00 34.31           O  
+ATOM   3310  CB  THR A1096     -10.004   4.801 -32.195  1.00 31.93           C  
+ATOM   3311  OG1 THR A1096      -9.625   4.359 -30.905  1.00 28.23           O  
+ATOM   3312  CG2 THR A1096     -10.195   6.324 -32.179  1.00 33.74           C  
+ATOM   3313  H   THR A1096     -12.372   4.473 -31.062  1.00 28.49           H  
+ATOM   3314  HA  THR A1096     -11.332   4.328 -33.817  1.00 28.46           H  
+ATOM   3315  HB  THR A1096      -9.137   4.612 -32.829  1.00 31.93           H  
+ATOM   3316  HG1 THR A1096     -10.293   4.649 -30.278  1.00 28.23           H  
+ATOM   3317 HG21 THR A1096      -9.347   6.825 -31.713  1.00 33.74           H  
+ATOM   3318 HG22 THR A1096     -10.293   6.715 -33.189  1.00 33.74           H  
+ATOM   3319 HG23 THR A1096     -11.087   6.621 -31.639  1.00 33.74           H  
+ATOM   3320  N   HIS A1097     -11.594   1.653 -32.095  1.00 31.69           N  
+ATOM   3321  CA  HIS A1097     -11.361   0.215 -31.891  1.00 31.97           C  
+ATOM   3322  C   HIS A1097     -10.047  -0.093 -31.148  1.00 33.69           C  
+ATOM   3323  O   HIS A1097      -9.450  -1.149 -31.353  1.00 33.12           O  
+ATOM   3324  CB  HIS A1097     -11.530  -0.589 -33.202  1.00 35.14           C  
+ATOM   3325  CG  HIS A1097     -12.916  -0.517 -33.787  1.00 40.55           C  
+ATOM   3326  ND1 HIS A1097     -13.343   0.536 -34.604  1.00 43.74           N  
+ATOM   3327  CD2 HIS A1097     -13.957  -1.407 -33.625  1.00 43.94           C  
+ATOM   3328  CE1 HIS A1097     -14.606   0.250 -34.893  1.00 44.01           C  
+ATOM   3329  NE2 HIS A1097     -15.020  -0.891 -34.343  1.00 44.57           N  
+ATOM   3330  H   HIS A1097     -12.398   2.025 -31.609  1.00 31.69           H  
+ATOM   3331  HA  HIS A1097     -12.148  -0.111 -31.211  1.00 31.97           H  
+ATOM   3332  HB3 HIS A1097     -11.315  -1.644 -33.032  1.00 35.14           H  
+ATOM   3333  HB2 HIS A1097     -10.816  -0.259 -33.956  1.00 35.14           H  
+ATOM   3334  HD2 HIS A1097     -14.025  -2.330 -33.068  1.00 43.94           H  
+ATOM   3335  HE1 HIS A1097     -15.232   0.879 -35.509  1.00 44.01           H  
+ATOM   3336  HE2 HIS A1097     -15.943  -1.300 -34.424  1.00 44.57           H  
+ATOM   3337  N   CYS A1098      -9.635   0.849 -30.284  1.00 28.70           N  
+ATOM   3338  CA  CYS A1098      -8.459   0.818 -29.414  1.00 27.70           C  
+ATOM   3339  C   CYS A1098      -7.134   0.705 -30.195  1.00 30.22           C  
+ATOM   3340  O   CYS A1098      -6.174   0.118 -29.693  1.00 27.75           O  
+ATOM   3341  CB  CYS A1098      -8.584  -0.241 -28.302  1.00 27.86           C  
+ATOM   3342  SG  CYS A1098     -10.045   0.106 -27.282  1.00 31.27           S  
+ATOM   3343  H   CYS A1098     -10.217   1.669 -30.171  1.00 28.70           H  
+ATOM   3344  HA  CYS A1098      -8.425   1.797 -28.932  1.00 27.70           H  
+ATOM   3345  HB3 CYS A1098      -7.706  -0.221 -27.657  1.00 27.86           H  
+ATOM   3346  HB2 CYS A1098      -8.662  -1.246 -28.714  1.00 27.86           H  
+ATOM   3347  HG  CYS A1098     -10.024  -1.048 -26.609  1.00 31.27           H  
+ATOM   3348  N   ASP A1099      -7.110   1.288 -31.408  1.00 28.20           N  
+ATOM   3349  CA  ASP A1099      -5.946   1.390 -32.287  1.00 29.09           C  
+ATOM   3350  C   ASP A1099      -4.855   2.230 -31.596  1.00 32.04           C  
+ATOM   3351  O   ASP A1099      -5.133   3.351 -31.171  1.00 29.80           O  
+ATOM   3352  CB  ASP A1099      -6.375   1.947 -33.672  1.00 31.01           C  
+ATOM   3353  CG  ASP A1099      -5.315   2.085 -34.784  1.00 42.86           C  
+ATOM   3354  OD1 ASP A1099      -4.156   1.646 -34.609  1.00 44.82           O  
+ATOM   3355  OD2 ASP A1099      -5.707   2.610 -35.848  1.00 55.40           O1-
+ATOM   3356  H   ASP A1099      -7.951   1.733 -31.748  1.00 28.20           H  
+ATOM   3357  HA  ASP A1099      -5.569   0.376 -32.435  1.00 29.09           H  
+ATOM   3358  HB3 ASP A1099      -6.858   2.915 -33.531  1.00 31.01           H  
+ATOM   3359  HB2 ASP A1099      -7.165   1.304 -34.061  1.00 31.01           H  
+ATOM   3360  N   SER A1100      -3.647   1.652 -31.489  1.00 30.26           N  
+ATOM   3361  CA  SER A1100      -2.479   2.243 -30.836  1.00 30.30           C  
+ATOM   3362  C   SER A1100      -1.982   3.548 -31.488  1.00 34.31           C  
+ATOM   3363  O   SER A1100      -1.508   4.423 -30.764  1.00 34.07           O  
+ATOM   3364  CB  SER A1100      -1.374   1.174 -30.714  1.00 35.14           C  
+ATOM   3365  OG  SER A1100      -0.815   0.834 -31.968  1.00 49.21           O  
+ATOM   3366  H   SER A1100      -3.503   0.740 -31.898  1.00 30.26           H  
+ATOM   3367  HA  SER A1100      -2.789   2.491 -29.821  1.00 30.30           H  
+ATOM   3368  HB3 SER A1100      -1.763   0.273 -30.240  1.00 35.14           H  
+ATOM   3369  HB2 SER A1100      -0.571   1.541 -30.074  1.00 35.14           H  
+ATOM   3370  HG  SER A1100      -0.132   0.172 -31.833  1.00 49.21           H  
+ATOM   3371  N   SER A1101      -2.147   3.682 -32.817  1.00 31.40           N  
+ATOM   3372  CA  SER A1101      -1.847   4.906 -33.565  1.00 31.93           C  
+ATOM   3373  C   SER A1101      -2.856   6.044 -33.304  1.00 35.91           C  
+ATOM   3374  O   SER A1101      -2.488   7.208 -33.459  1.00 36.89           O  
+ATOM   3375  CB  SER A1101      -1.696   4.569 -35.065  1.00 36.50           C  
+ATOM   3376  OG  SER A1101      -2.933   4.379 -35.727  1.00 42.36           O  
+ATOM   3377  H   SER A1101      -2.551   2.919 -33.345  1.00 31.40           H  
+ATOM   3378  HA  SER A1101      -0.872   5.256 -33.221  1.00 31.93           H  
+ATOM   3379  HB3 SER A1101      -1.077   3.681 -35.202  1.00 36.50           H  
+ATOM   3380  HB2 SER A1101      -1.179   5.386 -35.571  1.00 36.50           H  
+ATOM   3381  HG  SER A1101      -3.301   3.523 -35.478  1.00 42.36           H  
+ATOM   3382  N   GLN A1102      -4.087   5.691 -32.898  1.00 29.85           N  
+ATOM   3383  CA  GLN A1102      -5.165   6.622 -32.564  0.61 28.09           C  
+ATOM   3384  C   GLN A1102      -5.327   6.837 -31.047  1.00 29.55           C  
+ATOM   3385  O   GLN A1102      -6.203   7.611 -30.667  1.00 27.73           O  
+ATOM   3386  CB  GLN A1102      -6.487   6.126 -33.188  0.61 29.07           C  
+ATOM   3387  CG  GLN A1102      -6.468   6.068 -34.727  0.61 37.94           C  
+ATOM   3388  CD  GLN A1102      -7.858   5.791 -35.304  0.61 47.98           C  
+ATOM   3389  OE1 GLN A1102      -8.732   6.654 -35.260  0.61 45.96           O  
+ATOM   3390  NE2 GLN A1102      -8.071   4.595 -35.854  0.61 43.70           N  
+ATOM   3391  H   GLN A1102      -4.306   4.710 -32.787  1.00 29.85           H  
+ATOM   3392  HA  GLN A1102      -4.955   7.599 -32.993  0.61 28.09           H  
+ATOM   3393  HB3 GLN A1102      -7.295   6.791 -32.880  0.61 29.07           H  
+ATOM   3394  HB2 GLN A1102      -6.737   5.143 -32.787  0.61 29.07           H  
+ATOM   3395  HG3 GLN A1102      -5.758   5.318 -35.076  0.61 37.94           H  
+ATOM   3396  HG2 GLN A1102      -6.126   7.023 -35.128  0.61 37.94           H  
+ATOM   3397 HE22 GLN A1102      -8.974   4.369 -36.245  0.61 43.70           H  
+ATOM   3398 HE21 GLN A1102      -7.328   3.905 -35.887  0.61 43.70           H  
+ATOM   3399  N   SER A1103      -4.518   6.171 -30.202  1.00 26.76           N  
+ATOM   3400  CA  SER A1103      -4.648   6.194 -28.739  1.00 25.27           C  
+ATOM   3401  C   SER A1103      -4.433   7.600 -28.120  1.00 28.60           C  
+ATOM   3402  O   SER A1103      -3.688   8.389 -28.705  1.00 28.62           O  
+ATOM   3403  CB  SER A1103      -3.712   5.128 -28.130  1.00 27.32           C  
+ATOM   3404  OG  SER A1103      -2.350   5.513 -28.131  1.00 35.29           O  
+ATOM   3405  H   SER A1103      -3.813   5.553 -30.579  1.00 26.76           H  
+ATOM   3406  HA  SER A1103      -5.670   5.864 -28.566  1.00 25.27           H  
+ATOM   3407  HB3 SER A1103      -3.821   4.181 -28.657  1.00 27.32           H  
+ATOM   3408  HB2 SER A1103      -3.998   4.933 -27.097  1.00 27.32           H  
+ATOM   3409  HG  SER A1103      -1.997   5.423 -29.023  1.00 35.29           H  
+ATOM   3410  N   PRO A1104      -5.061   7.895 -26.952  1.00 25.17           N  
+ATOM   3411  CA  PRO A1104      -4.928   9.211 -26.291  1.00 24.67           C  
+ATOM   3412  C   PRO A1104      -3.499   9.730 -26.009  1.00 26.87           C  
+ATOM   3413  O   PRO A1104      -3.267  10.899 -26.315  1.00 25.99           O  
+ATOM   3414  CB  PRO A1104      -5.798   9.114 -25.024  1.00 26.01           C  
+ATOM   3415  CG  PRO A1104      -6.779   7.993 -25.321  1.00 29.46           C  
+ATOM   3416  CD  PRO A1104      -6.010   7.045 -26.228  1.00 25.85           C  
+ATOM   3417  HA  PRO A1104      -5.406   9.919 -26.966  1.00 24.67           H  
+ATOM   3418  HB3 PRO A1104      -6.310  10.051 -24.801  1.00 26.01           H  
+ATOM   3419  HB2 PRO A1104      -5.209   8.866 -24.141  1.00 26.01           H  
+ATOM   3420  HG3 PRO A1104      -7.626   8.401 -25.874  1.00 29.46           H  
+ATOM   3421  HG2 PRO A1104      -7.167   7.504 -24.428  1.00 29.46           H  
+ATOM   3422  HD2 PRO A1104      -5.461   6.308 -25.641  1.00 25.85           H  
+ATOM   3423  HD3 PRO A1104      -6.715   6.516 -26.867  1.00 25.85           H  
+ATOM   3424  N   PRO A1105      -2.545   8.888 -25.533  1.00 24.58           N  
+ATOM   3425  CA  PRO A1105      -1.135   9.301 -25.392  1.00 24.76           C  
+ATOM   3426  C   PRO A1105      -0.448   9.701 -26.706  1.00 29.78           C  
+ATOM   3427  O   PRO A1105       0.227  10.725 -26.721  1.00 30.24           O  
+ATOM   3428  CB  PRO A1105      -0.441   8.101 -24.723  1.00 25.88           C  
+ATOM   3429  CG  PRO A1105      -1.565   7.346 -24.039  1.00 29.87           C  
+ATOM   3430  CD  PRO A1105      -2.729   7.539 -24.998  1.00 25.57           C  
+ATOM   3431  HA  PRO A1105      -1.112  10.152 -24.711  1.00 24.76           H  
+ATOM   3432  HB3 PRO A1105       0.337   8.404 -24.023  1.00 25.88           H  
+ATOM   3433  HB2 PRO A1105       0.022   7.450 -25.467  1.00 25.88           H  
+ATOM   3434  HG3 PRO A1105      -1.797   7.826 -23.087  1.00 29.87           H  
+ATOM   3435  HG2 PRO A1105      -1.331   6.300 -23.843  1.00 29.87           H  
+ATOM   3436  HD2 PRO A1105      -2.664   6.822 -25.815  1.00 25.57           H  
+ATOM   3437  HD3 PRO A1105      -3.674   7.384 -24.485  1.00 25.57           H  
+ATOM   3438  N   THR A1106      -0.655   8.915 -27.778  1.00 26.99           N  
+ATOM   3439  CA  THR A1106      -0.082   9.159 -29.105  1.00 27.47           C  
+ATOM   3440  C   THR A1106      -0.556  10.486 -29.725  1.00 31.84           C  
+ATOM   3441  O   THR A1106       0.285  11.272 -30.156  1.00 32.09           O  
+ATOM   3442  CB  THR A1106      -0.412   8.001 -30.088  1.00 33.90           C  
+ATOM   3443  OG1 THR A1106       0.170   6.812 -29.592  1.00 35.61           O  
+ATOM   3444  CG2 THR A1106       0.078   8.195 -31.536  1.00 32.59           C  
+ATOM   3445  H   THR A1106      -1.227   8.087 -27.693  1.00 26.99           H  
+ATOM   3446  HA  THR A1106       1.002   9.216 -28.987  1.00 27.47           H  
+ATOM   3447  HB  THR A1106      -1.489   7.834 -30.114  1.00 33.90           H  
+ATOM   3448  HG1 THR A1106       1.120   6.857 -29.724  1.00 35.61           H  
+ATOM   3449 HG21 THR A1106      -0.041   7.280 -32.115  1.00 32.59           H  
+ATOM   3450 HG22 THR A1106      -0.487   8.971 -32.053  1.00 32.59           H  
+ATOM   3451 HG23 THR A1106       1.132   8.471 -31.567  1.00 32.59           H  
+ATOM   3452  N   LYS A1107      -1.878  10.725 -29.722  1.00 27.48           N  
+ATOM   3453  CA  LYS A1107      -2.497  11.898 -30.339  1.00 28.03           C  
+ATOM   3454  C   LYS A1107      -2.258  13.209 -29.570  1.00 32.41           C  
+ATOM   3455  O   LYS A1107      -2.159  14.251 -30.216  1.00 32.90           O  
+ATOM   3456  CB  LYS A1107      -4.000  11.628 -30.554  1.00 29.00           C  
+ATOM   3457  CG  LYS A1107      -4.312  10.420 -31.464  1.00 40.91           C  
+ATOM   3458  CD  LYS A1107      -3.769  10.491 -32.902  1.00 47.46           C  
+ATOM   3459  CE  LYS A1107      -4.438  11.569 -33.767  1.00 56.00           C  
+ATOM   3460  NZ  LYS A1107      -3.872  11.592 -35.127  1.00 65.65           N1+
+ATOM   3461  H   LYS A1107      -2.508  10.041 -29.325  1.00 27.48           H  
+ATOM   3462  HA  LYS A1107      -2.032  12.042 -31.315  1.00 28.03           H  
+ATOM   3463  HB3 LYS A1107      -4.482  12.518 -30.961  1.00 29.00           H  
+ATOM   3464  HB2 LYS A1107      -4.466  11.454 -29.584  1.00 29.00           H  
+ATOM   3465  HG3 LYS A1107      -5.390  10.282 -31.503  1.00 40.91           H  
+ATOM   3466  HG2 LYS A1107      -3.923   9.513 -31.005  1.00 40.91           H  
+ATOM   3467  HD3 LYS A1107      -3.915   9.522 -33.375  1.00 47.46           H  
+ATOM   3468  HD2 LYS A1107      -2.688  10.629 -32.885  1.00 47.46           H  
+ATOM   3469  HE3 LYS A1107      -4.311  12.555 -33.322  1.00 56.00           H  
+ATOM   3470  HE2 LYS A1107      -5.511  11.382 -33.836  1.00 56.00           H  
+ATOM   3471  HZ1 LYS A1107      -2.883  11.805 -35.063  1.00 65.65           H  
+ATOM   3472  HZ2 LYS A1107      -3.989  10.690 -35.564  1.00 65.65           H  
+ATOM   3473  HZ3 LYS A1107      -4.332  12.302 -35.678  1.00 65.65           H  
+ATOM   3474  N   PHE A1108      -2.126  13.149 -28.232  1.00 27.91           N  
+ATOM   3475  CA  PHE A1108      -1.750  14.306 -27.413  1.00 26.74           C  
+ATOM   3476  C   PHE A1108      -0.247  14.636 -27.462  1.00 30.76           C  
+ATOM   3477  O   PHE A1108       0.088  15.817 -27.413  1.00 31.53           O  
+ATOM   3478  CB  PHE A1108      -2.260  14.152 -25.963  1.00 27.18           C  
+ATOM   3479  CG  PHE A1108      -3.748  14.410 -25.747  1.00 27.38           C  
+ATOM   3480  CD1 PHE A1108      -4.338  15.620 -26.175  1.00 29.59           C  
+ATOM   3481  CD2 PHE A1108      -4.535  13.501 -25.006  1.00 28.32           C  
+ATOM   3482  CE1 PHE A1108      -5.676  15.880 -25.906  1.00 30.31           C  
+ATOM   3483  CE2 PHE A1108      -5.869  13.780 -24.743  1.00 29.39           C  
+ATOM   3484  CZ  PHE A1108      -6.436  14.965 -25.191  1.00 28.52           C  
+ATOM   3485  H   PHE A1108      -2.238  12.267 -27.750  1.00 27.91           H  
+ATOM   3486  HA  PHE A1108      -2.236  15.184 -27.840  1.00 26.74           H  
+ATOM   3487  HB3 PHE A1108      -1.723  14.828 -25.296  1.00 27.18           H  
+ATOM   3488  HB2 PHE A1108      -2.018  13.146 -25.617  1.00 27.18           H  
+ATOM   3489  HD1 PHE A1108      -3.755  16.359 -26.705  1.00 29.59           H  
+ATOM   3490  HD2 PHE A1108      -4.109  12.585 -24.631  1.00 28.32           H  
+ATOM   3491  HE1 PHE A1108      -6.124  16.803 -26.244  1.00 30.31           H  
+ATOM   3492  HE2 PHE A1108      -6.467  13.076 -24.184  1.00 29.39           H  
+ATOM   3493  HZ  PHE A1108      -7.475  15.177 -24.981  1.00 28.52           H  
+ATOM   3494  N   LEU A1109       0.631  13.624 -27.601  1.00 27.77           N  
+ATOM   3495  CA  LEU A1109       2.081  13.818 -27.752  1.00 28.51           C  
+ATOM   3496  C   LEU A1109       2.498  14.277 -29.163  1.00 34.25           C  
+ATOM   3497  O   LEU A1109       3.593  14.819 -29.298  1.00 34.88           O  
+ATOM   3498  CB  LEU A1109       2.843  12.549 -27.313  1.00 28.11           C  
+ATOM   3499  CG  LEU A1109       2.825  12.312 -25.783  1.00 32.10           C  
+ATOM   3500  CD1 LEU A1109       3.321  10.894 -25.429  1.00 30.45           C  
+ATOM   3501  CD2 LEU A1109       3.585  13.410 -25.007  1.00 36.17           C  
+ATOM   3502  H   LEU A1109       0.302  12.667 -27.623  1.00 27.77           H  
+ATOM   3503  HA  LEU A1109       2.379  14.630 -27.088  1.00 28.51           H  
+ATOM   3504  HB3 LEU A1109       3.884  12.603 -27.637  1.00 28.11           H  
+ATOM   3505  HB2 LEU A1109       2.420  11.690 -27.837  1.00 28.11           H  
+ATOM   3506  HG  LEU A1109       1.787  12.362 -25.453  1.00 32.10           H  
+ATOM   3507 HD11 LEU A1109       2.577  10.365 -24.832  1.00 30.45           H  
+ATOM   3508 HD12 LEU A1109       3.502  10.290 -26.318  1.00 30.45           H  
+ATOM   3509 HD13 LEU A1109       4.250  10.899 -24.859  1.00 30.45           H  
+ATOM   3510 HD21 LEU A1109       4.237  13.010 -24.231  1.00 36.17           H  
+ATOM   3511 HD22 LEU A1109       4.208  14.015 -25.665  1.00 36.17           H  
+ATOM   3512 HD23 LEU A1109       2.885  14.084 -24.514  1.00 36.17           H  
+ATOM   3513  N   GLU A1110       1.616  14.123 -30.168  1.00 32.96           N  
+ATOM   3514  CA  GLU A1110       1.739  14.772 -31.479  1.00 35.44           C  
+ATOM   3515  C   GLU A1110       1.522  16.296 -31.405  1.00 38.81           C  
+ATOM   3516  O   GLU A1110       2.192  17.025 -32.134  1.00 38.69           O  
+ATOM   3517  CB  GLU A1110       0.750  14.135 -32.476  1.00 36.99           C  
+ATOM   3518  CG  GLU A1110       1.192  12.746 -32.992  1.00 47.30           C  
+ATOM   3519  CD  GLU A1110       0.134  11.978 -33.804  1.00 70.21           C  
+ATOM   3520  OE1 GLU A1110      -0.946  12.542 -34.093  1.00 64.58           O  
+ATOM   3521  OE2 GLU A1110       0.425  10.808 -34.133  1.00 65.32           O1-
+ATOM   3522  H   GLU A1110       0.753  13.625 -29.999  1.00 32.96           H  
+ATOM   3523  HA  GLU A1110       2.753  14.610 -31.851  1.00 35.44           H  
+ATOM   3524  HB3 GLU A1110       0.592  14.799 -33.328  1.00 36.99           H  
+ATOM   3525  HB2 GLU A1110      -0.218  14.044 -31.985  1.00 36.99           H  
+ATOM   3526  HG3 GLU A1110       1.516  12.123 -32.161  1.00 47.30           H  
+ATOM   3527  HG2 GLU A1110       2.074  12.871 -33.623  1.00 47.30           H  
+ATOM   3528  N   LEU A1111       0.611  16.743 -30.521  1.00 35.92           N  
+ATOM   3529  CA  LEU A1111       0.303  18.157 -30.284  1.00 37.14           C  
+ATOM   3530  C   LEU A1111       1.353  18.842 -29.390  1.00 40.62           C  
+ATOM   3531  O   LEU A1111       1.683  20.001 -29.637  1.00 41.55           O  
+ATOM   3532  CB  LEU A1111      -1.100  18.286 -29.644  1.00 36.92           C  
+ATOM   3533  CG  LEU A1111      -2.273  17.800 -30.526  1.00 41.87           C  
+ATOM   3534  CD1 LEU A1111      -3.578  17.699 -29.705  1.00 41.05           C  
+ATOM   3535  CD2 LEU A1111      -2.441  18.655 -31.800  1.00 44.81           C  
+ATOM   3536  H   LEU A1111       0.101  16.078 -29.957  1.00 35.92           H  
+ATOM   3537  HA  LEU A1111       0.303  18.678 -31.243  1.00 37.14           H  
+ATOM   3538  HB3 LEU A1111      -1.284  19.325 -29.367  1.00 36.92           H  
+ATOM   3539  HB2 LEU A1111      -1.107  17.730 -28.706  1.00 36.92           H  
+ATOM   3540  HG  LEU A1111      -2.042  16.787 -30.853  1.00 41.87           H  
+ATOM   3541 HD11 LEU A1111      -3.994  16.692 -29.761  1.00 41.05           H  
+ATOM   3542 HD12 LEU A1111      -3.415  17.916 -28.649  1.00 41.05           H  
+ATOM   3543 HD13 LEU A1111      -4.350  18.389 -30.046  1.00 41.05           H  
+ATOM   3544 HD21 LEU A1111      -3.472  18.962 -31.972  1.00 44.81           H  
+ATOM   3545 HD22 LEU A1111      -1.844  19.567 -31.762  1.00 44.81           H  
+ATOM   3546 HD23 LEU A1111      -2.125  18.096 -32.681  1.00 44.81           H  
+ATOM   3547  N   ILE A1112       1.842  18.123 -28.365  1.00 34.80           N  
+ATOM   3548  CA  ILE A1112       2.766  18.631 -27.346  1.00 34.93           C  
+ATOM   3549  C   ILE A1112       4.239  18.587 -27.796  1.00 40.11           C  
+ATOM   3550  O   ILE A1112       4.997  19.487 -27.436  1.00 41.74           O  
+ATOM   3551  CB  ILE A1112       2.615  17.815 -26.022  1.00 36.99           C  
+ATOM   3552  CG1 ILE A1112       1.228  18.054 -25.388  1.00 35.84           C  
+ATOM   3553  CG2 ILE A1112       3.708  18.043 -24.954  1.00 37.00           C  
+ATOM   3554  CD1 ILE A1112       0.808  16.954 -24.405  1.00 35.00           C  
+ATOM   3555  H   ILE A1112       1.498  17.183 -28.219  1.00 34.80           H  
+ATOM   3556  HA  ILE A1112       2.515  19.672 -27.134  1.00 34.93           H  
+ATOM   3557  HB  ILE A1112       2.669  16.761 -26.295  1.00 36.99           H  
+ATOM   3558 HG13 ILE A1112       0.463  18.116 -26.161  1.00 35.84           H  
+ATOM   3559 HG12 ILE A1112       1.214  19.021 -24.886  1.00 35.84           H  
+ATOM   3560 HG21 ILE A1112       3.493  17.501 -24.034  1.00 37.00           H  
+ATOM   3561 HG22 ILE A1112       4.688  17.703 -25.282  1.00 37.00           H  
+ATOM   3562 HG23 ILE A1112       3.793  19.097 -24.703  1.00 37.00           H  
+ATOM   3563 HD11 ILE A1112      -0.276  16.927 -24.307  1.00 35.00           H  
+ATOM   3564 HD12 ILE A1112       1.129  15.966 -24.736  1.00 35.00           H  
+ATOM   3565 HD13 ILE A1112       1.229  17.129 -23.417  1.00 35.00           H  
+ATOM   3566  N   GLY A1113       4.617  17.533 -28.538  1.00 36.74           N  
+ATOM   3567  CA  GLY A1113       6.008  17.156 -28.789  1.00 38.59           C  
+ATOM   3568  C   GLY A1113       6.471  16.166 -27.705  1.00 41.94           C  
+ATOM   3569  O   GLY A1113       5.731  15.850 -26.773  1.00 39.30           O  
+ATOM   3570  H   GLY A1113       3.920  16.853 -28.811  1.00 36.74           H  
+ATOM   3571  HA3 GLY A1113       6.666  18.027 -28.805  1.00 38.59           H  
+ATOM   3572  HA2 GLY A1113       6.071  16.679 -29.767  1.00 38.59           H  
+ATOM   3573  N   ILE A1114       7.709  15.666 -27.843  1.00 41.30           N  
+ATOM   3574  CA  ILE A1114       8.312  14.672 -26.942  1.00 41.02           C  
+ATOM   3575  C   ILE A1114       9.614  15.169 -26.271  1.00 47.14           C  
+ATOM   3576  O   ILE A1114      10.237  14.399 -25.539  1.00 48.03           O  
+ATOM   3577  CB  ILE A1114       8.584  13.328 -27.683  1.00 43.24           C  
+ATOM   3578  CG1 ILE A1114       9.561  13.449 -28.880  1.00 44.89           C  
+ATOM   3579  CG2 ILE A1114       7.262  12.648 -28.090  1.00 42.60           C  
+ATOM   3580  CD1 ILE A1114      10.065  12.096 -29.404  1.00 50.07           C  
+ATOM   3581  H   ILE A1114       8.272  15.944 -28.634  1.00 41.30           H  
+ATOM   3582  HA  ILE A1114       7.638  14.455 -26.112  1.00 41.02           H  
+ATOM   3583  HB  ILE A1114       9.048  12.650 -26.965  1.00 43.24           H  
+ATOM   3584 HG13 ILE A1114      10.432  14.045 -28.610  1.00 44.89           H  
+ATOM   3585 HG12 ILE A1114       9.076  13.988 -29.694  1.00 44.89           H  
+ATOM   3586 HG21 ILE A1114       7.430  11.643 -28.479  1.00 42.60           H  
+ATOM   3587 HG22 ILE A1114       6.590  12.552 -27.236  1.00 42.60           H  
+ATOM   3588 HG23 ILE A1114       6.736  13.215 -28.859  1.00 42.60           H  
+ATOM   3589 HD11 ILE A1114      10.959  12.228 -30.015  1.00 50.07           H  
+ATOM   3590 HD12 ILE A1114      10.321  11.421 -28.587  1.00 50.07           H  
+ATOM   3591 HD13 ILE A1114       9.313  11.607 -30.023  1.00 50.07           H  
+ATOM   3592  N   ALA A1115       9.989  16.439 -26.500  1.00 42.26           N  
+ATOM   3593  CA  ALA A1115      11.195  17.068 -25.962  1.00 43.31           C  
+ATOM   3594  C   ALA A1115      10.831  18.402 -25.292  1.00 48.36           C  
+ATOM   3595  O   ALA A1115      11.298  19.457 -25.721  1.00 49.43           O  
+ATOM   3596  CB  ALA A1115      12.224  17.216 -27.097  1.00 45.24           C  
+ATOM   3597  H   ALA A1115       9.413  17.027 -27.087  1.00 42.26           H  
+ATOM   3598  HA  ALA A1115      11.641  16.446 -25.184  1.00 43.31           H  
+ATOM   3599  HB1 ALA A1115      13.146  17.676 -26.740  1.00 45.24           H  
+ATOM   3600  HB2 ALA A1115      12.487  16.242 -27.512  1.00 45.24           H  
+ATOM   3601  HB3 ALA A1115      11.838  17.828 -27.913  1.00 45.24           H  
+ATOM   3602  N   GLN A1116       9.982  18.318 -24.254  1.00 44.35           N  
+ATOM   3603  CA  GLN A1116       9.446  19.464 -23.510  1.00 44.30           C  
+ATOM   3604  C   GLN A1116       9.922  19.492 -22.044  1.00 49.79           C  
+ATOM   3605  O   GLN A1116       9.462  20.350 -21.290  1.00 49.85           O  
+ATOM   3606  CB  GLN A1116       7.900  19.439 -23.588  1.00 44.27           C  
+ATOM   3607  CG  GLN A1116       7.303  19.433 -25.014  1.00 53.29           C  
+ATOM   3608  CD  GLN A1116       7.840  20.521 -25.949  1.00 72.09           C  
+ATOM   3609  OE1 GLN A1116       8.267  20.225 -27.063  1.00 65.48           O  
+ATOM   3610  NE2 GLN A1116       7.826  21.781 -25.511  1.00 65.05           N  
+ATOM   3611  H   GLN A1116       9.653  17.409 -23.956  1.00 44.35           H  
+ATOM   3612  HA  GLN A1116       9.805  20.398 -23.943  1.00 44.30           H  
+ATOM   3613  HB3 GLN A1116       7.497  20.301 -23.054  1.00 44.27           H  
+ATOM   3614  HB2 GLN A1116       7.522  18.568 -23.052  1.00 44.27           H  
+ATOM   3615  HG3 GLN A1116       6.221  19.530 -24.953  1.00 53.29           H  
+ATOM   3616  HG2 GLN A1116       7.485  18.463 -25.480  1.00 53.29           H  
+ATOM   3617 HE22 GLN A1116       8.175  22.521 -26.103  1.00 65.05           H  
+ATOM   3618 HE21 GLN A1116       7.469  22.004 -24.594  1.00 65.05           H  
+ATOM   3619  N   GLY A1117      10.831  18.577 -21.659  1.00 46.41           N  
+ATOM   3620  CA  GLY A1117      11.361  18.464 -20.301  1.00 44.66           C  
+ATOM   3621  C   GLY A1117      10.271  17.937 -19.360  1.00 42.63           C  
+ATOM   3622  O   GLY A1117       9.603  16.949 -19.668  1.00 37.23           O  
+ATOM   3623  H   GLY A1117      11.162  17.905 -22.336  1.00 46.41           H  
+ATOM   3624  HA3 GLY A1117      11.740  19.430 -19.963  1.00 44.66           H  
+ATOM   3625  HA2 GLY A1117      12.199  17.767 -20.302  1.00 44.66           H  
+ATOM   3626  N   GLN A1118      10.110  18.612 -18.211  1.00 39.82           N  
+ATOM   3627  CA  GLN A1118       9.091  18.337 -17.193  1.00 38.37           C  
+ATOM   3628  C   GLN A1118       7.692  18.895 -17.536  1.00 40.30           C  
+ATOM   3629  O   GLN A1118       6.770  18.682 -16.750  1.00 41.07           O  
+ATOM   3630  CB  GLN A1118       9.576  18.911 -15.842  1.00 41.27           C  
+ATOM   3631  CG  GLN A1118      10.829  18.211 -15.282  1.00 52.25           C  
+ATOM   3632  CD  GLN A1118      11.327  18.881 -14.000  1.00 66.80           C  
+ATOM   3633  OE1 GLN A1118      11.668  20.062 -14.007  1.00 64.29           O  
+ATOM   3634  NE2 GLN A1118      11.392  18.129 -12.900  1.00 50.92           N  
+ATOM   3635  H   GLN A1118      10.696  19.418 -18.030  1.00 39.82           H  
+ATOM   3636  HA  GLN A1118       8.987  17.257 -17.084  1.00 38.37           H  
+ATOM   3637  HB3 GLN A1118       8.783  18.826 -15.097  1.00 41.27           H  
+ATOM   3638  HB2 GLN A1118       9.761  19.980 -15.954  1.00 41.27           H  
+ATOM   3639  HG3 GLN A1118      11.642  18.246 -16.008  1.00 52.25           H  
+ATOM   3640  HG2 GLN A1118      10.618  17.156 -15.100  1.00 52.25           H  
+ATOM   3641 HE22 GLN A1118      11.726  18.530 -12.036  1.00 50.92           H  
+ATOM   3642 HE21 GLN A1118      11.110  17.160 -12.920  1.00 50.92           H  
+ATOM   3643  N   MET A1119       7.551  19.616 -18.663  1.00 34.93           N  
+ATOM   3644  CA  MET A1119       6.360  20.395 -19.015  1.00 34.58           C  
+ATOM   3645  C   MET A1119       5.308  19.638 -19.851  1.00 34.58           C  
+ATOM   3646  O   MET A1119       4.460  20.305 -20.440  1.00 34.71           O  
+ATOM   3647  CB  MET A1119       6.782  21.709 -19.716  1.00 38.63           C  
+ATOM   3648  CG  MET A1119       7.814  22.543 -18.945  1.00 44.95           C  
+ATOM   3649  SD  MET A1119       8.155  24.143 -19.723  1.00 52.97           S  
+ATOM   3650  CE  MET A1119       9.327  24.815 -18.517  1.00 51.70           C  
+ATOM   3651  H   MET A1119       8.347  19.731 -19.276  1.00 34.93           H  
+ATOM   3652  HA  MET A1119       5.856  20.686 -18.093  1.00 34.58           H  
+ATOM   3653  HB3 MET A1119       5.904  22.336 -19.879  1.00 38.63           H  
+ATOM   3654  HB2 MET A1119       7.173  21.487 -20.709  1.00 38.63           H  
+ATOM   3655  HG3 MET A1119       8.758  22.003 -18.860  1.00 44.95           H  
+ATOM   3656  HG2 MET A1119       7.459  22.724 -17.930  1.00 44.95           H  
+ATOM   3657  HE1 MET A1119       9.657  25.807 -18.826  1.00 51.70           H  
+ATOM   3658  HE2 MET A1119       8.860  24.897 -17.535  1.00 51.70           H  
+ATOM   3659  HE3 MET A1119      10.201  24.169 -18.434  1.00 51.70           H  
+ATOM   3660  N   THR A1120       5.336  18.294 -19.903  1.00 29.62           N  
+ATOM   3661  CA  THR A1120       4.363  17.497 -20.670  1.00 28.01           C  
+ATOM   3662  C   THR A1120       2.905  17.673 -20.187  1.00 30.48           C  
+ATOM   3663  O   THR A1120       2.028  17.901 -21.019  1.00 31.09           O  
+ATOM   3664  CB  THR A1120       4.691  15.980 -20.660  1.00 32.05           C  
+ATOM   3665  OG1 THR A1120       6.025  15.785 -21.086  1.00 33.94           O  
+ATOM   3666  CG2 THR A1120       3.783  15.116 -21.560  1.00 34.10           C  
+ATOM   3667  H   THR A1120       6.053  17.779 -19.411  1.00 29.62           H  
+ATOM   3668  HA  THR A1120       4.411  17.844 -21.704  1.00 28.01           H  
+ATOM   3669  HB  THR A1120       4.624  15.597 -19.641  1.00 32.05           H  
+ATOM   3670  HG1 THR A1120       6.069  15.932 -22.038  1.00 33.94           H  
+ATOM   3671 HG21 THR A1120       4.128  14.082 -21.588  1.00 34.10           H  
+ATOM   3672 HG22 THR A1120       2.752  15.096 -21.205  1.00 34.10           H  
+ATOM   3673 HG23 THR A1120       3.774  15.488 -22.585  1.00 34.10           H  
+ATOM   3674  N   VAL A1121       2.686  17.612 -18.860  1.00 28.98           N  
+ATOM   3675  CA  VAL A1121       1.380  17.810 -18.223  1.00 29.28           C  
+ATOM   3676  C   VAL A1121       0.908  19.278 -18.255  1.00 34.54           C  
+ATOM   3677  O   VAL A1121      -0.290  19.509 -18.419  1.00 33.68           O  
+ATOM   3678  CB  VAL A1121       1.376  17.274 -16.760  1.00 33.58           C  
+ATOM   3679  CG1 VAL A1121       0.173  17.705 -15.891  1.00 33.26           C  
+ATOM   3680  CG2 VAL A1121       1.474  15.739 -16.759  1.00 32.88           C  
+ATOM   3681  H   VAL A1121       3.458  17.417 -18.235  1.00 28.98           H  
+ATOM   3682  HA  VAL A1121       0.651  17.227 -18.789  1.00 29.28           H  
+ATOM   3683  HB  VAL A1121       2.272  17.645 -16.261  1.00 33.58           H  
+ATOM   3684 HG11 VAL A1121       0.165  17.181 -14.935  1.00 33.26           H  
+ATOM   3685 HG12 VAL A1121       0.191  18.770 -15.661  1.00 33.26           H  
+ATOM   3686 HG13 VAL A1121      -0.768  17.486 -16.396  1.00 33.26           H  
+ATOM   3687 HG21 VAL A1121       1.524  15.346 -15.744  1.00 32.88           H  
+ATOM   3688 HG22 VAL A1121       0.608  15.294 -17.250  1.00 32.88           H  
+ATOM   3689 HG23 VAL A1121       2.363  15.388 -17.284  1.00 32.88           H  
+ATOM   3690  N   LEU A1122       1.847  20.236 -18.148  1.00 32.43           N  
+ATOM   3691  CA  LEU A1122       1.598  21.673 -18.297  1.00 33.01           C  
+ATOM   3692  C   LEU A1122       1.099  22.029 -19.707  1.00 36.61           C  
+ATOM   3693  O   LEU A1122       0.150  22.796 -19.831  1.00 35.87           O  
+ATOM   3694  CB  LEU A1122       2.884  22.451 -17.918  1.00 35.17           C  
+ATOM   3695  CG  LEU A1122       2.849  23.988 -18.113  1.00 42.10           C  
+ATOM   3696  CD1 LEU A1122       1.722  24.660 -17.299  1.00 43.87           C  
+ATOM   3697  CD2 LEU A1122       4.234  24.610 -17.830  1.00 45.28           C  
+ATOM   3698  H   LEU A1122       2.806  19.967 -17.976  1.00 32.43           H  
+ATOM   3699  HA  LEU A1122       0.810  21.940 -17.590  1.00 33.01           H  
+ATOM   3700  HB3 LEU A1122       3.711  22.054 -18.507  1.00 35.17           H  
+ATOM   3701  HB2 LEU A1122       3.132  22.235 -16.878  1.00 35.17           H  
+ATOM   3702  HG  LEU A1122       2.651  24.192 -19.166  1.00 42.10           H  
+ATOM   3703 HD11 LEU A1122       2.052  25.565 -16.789  1.00 43.87           H  
+ATOM   3704 HD12 LEU A1122       0.899  24.950 -17.953  1.00 43.87           H  
+ATOM   3705 HD13 LEU A1122       1.312  23.996 -16.538  1.00 43.87           H  
+ATOM   3706 HD21 LEU A1122       4.570  25.206 -18.680  1.00 45.28           H  
+ATOM   3707 HD22 LEU A1122       4.233  25.262 -16.957  1.00 45.28           H  
+ATOM   3708 HD23 LEU A1122       4.996  23.850 -17.653  1.00 45.28           H  
+ATOM   3709  N   ARG A1123       1.731  21.443 -20.734  1.00 32.17           N  
+ATOM   3710  CA  ARG A1123       1.421  21.686 -22.141  1.00 32.60           C  
+ATOM   3711  C   ARG A1123       0.151  20.951 -22.609  1.00 33.95           C  
+ATOM   3712  O   ARG A1123      -0.540  21.458 -23.492  1.00 32.13           O  
+ATOM   3713  CB  ARG A1123       2.672  21.336 -22.961  1.00 37.04           C  
+ATOM   3714  CG  ARG A1123       2.787  22.077 -24.308  1.00 59.77           C  
+ATOM   3715  CD  ARG A1123       4.239  22.189 -24.819  1.00 74.58           C  
+ATOM   3716  NE  ARG A1123       5.079  23.031 -23.939  1.00 91.08           N  
+ATOM   3717  CZ  ARG A1123       5.246  24.366 -23.975  1.00107.84           C  
+ATOM   3718  NH1 ARG A1123       4.699  25.129 -24.932  1.00 95.16           N  
+ATOM   3719  NH2 ARG A1123       5.981  24.949 -23.019  1.00 96.44           N1+
+ATOM   3720  H   ARG A1123       2.510  20.825 -20.549  1.00 32.17           H  
+ATOM   3721  HA  ARG A1123       1.245  22.758 -22.236  1.00 32.60           H  
+ATOM   3722  HB3 ARG A1123       2.752  20.257 -23.093  1.00 37.04           H  
+ATOM   3723  HB2 ARG A1123       3.534  21.616 -22.360  1.00 37.04           H  
+ATOM   3724  HG3 ARG A1123       2.433  23.093 -24.130  1.00 59.77           H  
+ATOM   3725  HG2 ARG A1123       2.123  21.671 -25.072  1.00 59.77           H  
+ATOM   3726  HD3 ARG A1123       4.292  22.456 -25.875  1.00 74.58           H  
+ATOM   3727  HD2 ARG A1123       4.696  21.205 -24.744  1.00 74.58           H  
+ATOM   3728  HE  ARG A1123       5.481  22.539 -23.154  1.00 91.08           H  
+ATOM   3729 HH12 ARG A1123       4.829  26.130 -24.932  1.00 95.16           H  
+ATOM   3730 HH11 ARG A1123       4.128  24.701 -25.646  1.00 95.16           H  
+ATOM   3731 HH22 ARG A1123       6.104  25.952 -23.010  1.00 96.44           H  
+ATOM   3732 HH21 ARG A1123       6.392  24.401 -22.277  1.00 96.44           H  
+ATOM   3733  N   LEU A1124      -0.163  19.816 -21.955  1.00 29.63           N  
+ATOM   3734  CA  LEU A1124      -1.446  19.118 -22.039  1.00 27.63           C  
+ATOM   3735  C   LEU A1124      -2.583  19.955 -21.427  1.00 32.17           C  
+ATOM   3736  O   LEU A1124      -3.643  20.041 -22.037  1.00 30.80           O  
+ATOM   3737  CB  LEU A1124      -1.322  17.725 -21.380  1.00 26.83           C  
+ATOM   3738  CG  LEU A1124      -2.600  16.852 -21.366  1.00 30.02           C  
+ATOM   3739  CD1 LEU A1124      -3.150  16.573 -22.783  1.00 28.94           C  
+ATOM   3740  CD2 LEU A1124      -2.354  15.557 -20.565  1.00 30.63           C  
+ATOM   3741  H   LEU A1124       0.486  19.454 -21.270  1.00 29.63           H  
+ATOM   3742  HA  LEU A1124      -1.672  18.973 -23.094  1.00 27.63           H  
+ATOM   3743  HB3 LEU A1124      -0.996  17.859 -20.350  1.00 26.83           H  
+ATOM   3744  HB2 LEU A1124      -0.524  17.166 -21.867  1.00 26.83           H  
+ATOM   3745  HG  LEU A1124      -3.376  17.393 -20.825  1.00 30.02           H  
+ATOM   3746 HD11 LEU A1124      -3.515  15.553 -22.901  1.00 28.94           H  
+ATOM   3747 HD12 LEU A1124      -3.985  17.234 -23.014  1.00 28.94           H  
+ATOM   3748 HD13 LEU A1124      -2.398  16.733 -23.554  1.00 28.94           H  
+ATOM   3749 HD21 LEU A1124      -2.581  14.655 -21.130  1.00 30.63           H  
+ATOM   3750 HD22 LEU A1124      -1.320  15.467 -20.230  1.00 30.63           H  
+ATOM   3751 HD23 LEU A1124      -2.977  15.537 -19.672  1.00 30.63           H  
+ATOM   3752  N   THR A1125      -2.341  20.590 -20.267  1.00 30.97           N  
+ATOM   3753  CA  THR A1125      -3.293  21.503 -19.628  1.00 31.58           C  
+ATOM   3754  C   THR A1125      -3.563  22.748 -20.495  1.00 35.29           C  
+ATOM   3755  O   THR A1125      -4.727  23.088 -20.683  1.00 34.46           O  
+ATOM   3756  CB  THR A1125      -2.815  21.967 -18.225  1.00 40.93           C  
+ATOM   3757  OG1 THR A1125      -2.653  20.835 -17.397  1.00 39.64           O  
+ATOM   3758  CG2 THR A1125      -3.752  22.944 -17.489  1.00 41.19           C  
+ATOM   3759  H   THR A1125      -1.447  20.475 -19.810  1.00 30.97           H  
+ATOM   3760  HA  THR A1125      -4.237  20.966 -19.507  1.00 31.58           H  
+ATOM   3761  HB  THR A1125      -1.837  22.438 -18.306  1.00 40.93           H  
+ATOM   3762  HG1 THR A1125      -1.970  20.273 -17.779  1.00 39.64           H  
+ATOM   3763 HG21 THR A1125      -3.354  23.183 -16.503  1.00 41.19           H  
+ATOM   3764 HG22 THR A1125      -3.863  23.891 -18.017  1.00 41.19           H  
+ATOM   3765 HG23 THR A1125      -4.747  22.516 -17.355  1.00 41.19           H  
+ATOM   3766  N   GLU A1126      -2.501  23.354 -21.055  1.00 33.17           N  
+ATOM   3767  CA  GLU A1126      -2.566  24.520 -21.937  1.00 34.02           C  
+ATOM   3768  C   GLU A1126      -3.390  24.304 -23.217  1.00 37.28           C  
+ATOM   3769  O   GLU A1126      -4.219  25.161 -23.514  1.00 35.08           O  
+ATOM   3770  CB  GLU A1126      -1.145  25.022 -22.260  1.00 36.83           C  
+ATOM   3771  CG  GLU A1126      -0.478  25.766 -21.079  1.00 44.51           C  
+ATOM   3772  CD  GLU A1126       1.013  26.106 -21.258  1.00 58.80           C  
+ATOM   3773  OE1 GLU A1126       1.542  26.769 -20.340  1.00 49.54           O  
+ATOM   3774  OE2 GLU A1126       1.614  25.715 -22.285  1.00 45.75           O1-
+ATOM   3775  H   GLU A1126      -1.571  23.011 -20.849  1.00 33.17           H  
+ATOM   3776  HA  GLU A1126      -3.073  25.308 -21.376  1.00 34.02           H  
+ATOM   3777  HB3 GLU A1126      -1.164  25.684 -23.125  1.00 36.83           H  
+ATOM   3778  HB2 GLU A1126      -0.538  24.166 -22.553  1.00 36.83           H  
+ATOM   3779  HG3 GLU A1126      -0.586  25.189 -20.161  1.00 44.51           H  
+ATOM   3780  HG2 GLU A1126      -1.018  26.697 -20.904  1.00 44.51           H  
+ATOM   3781  N   LEU A1127      -3.195  23.176 -23.930  1.00 34.11           N  
+ATOM   3782  CA  LEU A1127      -3.971  22.859 -25.137  1.00 33.79           C  
+ATOM   3783  C   LEU A1127      -5.452  22.557 -24.844  1.00 35.23           C  
+ATOM   3784  O   LEU A1127      -6.301  22.939 -25.648  1.00 34.81           O  
+ATOM   3785  CB  LEU A1127      -3.249  21.803 -26.014  1.00 33.69           C  
+ATOM   3786  CG  LEU A1127      -3.258  20.319 -25.569  1.00 37.11           C  
+ATOM   3787  CD1 LEU A1127      -4.523  19.548 -25.994  1.00 35.27           C  
+ATOM   3788  CD2 LEU A1127      -2.011  19.576 -26.090  1.00 40.08           C  
+ATOM   3789  H   LEU A1127      -2.497  22.503 -23.642  1.00 34.11           H  
+ATOM   3790  HA  LEU A1127      -3.976  23.772 -25.737  1.00 33.79           H  
+ATOM   3791  HB3 LEU A1127      -2.214  22.134 -26.097  1.00 33.69           H  
+ATOM   3792  HB2 LEU A1127      -3.640  21.855 -27.029  1.00 33.69           H  
+ATOM   3793  HG  LEU A1127      -3.207  20.304 -24.484  1.00 37.11           H  
+ATOM   3794 HD11 LEU A1127      -4.539  18.563 -25.527  1.00 35.27           H  
+ATOM   3795 HD12 LEU A1127      -5.448  20.040 -25.708  1.00 35.27           H  
+ATOM   3796 HD13 LEU A1127      -4.555  19.405 -27.074  1.00 35.27           H  
+ATOM   3797 HD21 LEU A1127      -2.255  18.606 -26.523  1.00 40.08           H  
+ATOM   3798 HD22 LEU A1127      -1.477  20.139 -26.856  1.00 40.08           H  
+ATOM   3799 HD23 LEU A1127      -1.309  19.395 -25.278  1.00 40.08           H  
+ATOM   3800  N   LEU A1128      -5.743  21.935 -23.686  1.00 30.68           N  
+ATOM   3801  CA  LEU A1128      -7.111  21.678 -23.226  1.00 29.82           C  
+ATOM   3802  C   LEU A1128      -7.847  22.967 -22.795  1.00 37.95           C  
+ATOM   3803  O   LEU A1128      -9.062  23.043 -22.974  1.00 37.53           O  
+ATOM   3804  CB  LEU A1128      -7.117  20.628 -22.093  1.00 28.63           C  
+ATOM   3805  CG  LEU A1128      -6.674  19.203 -22.508  1.00 31.65           C  
+ATOM   3806  CD1 LEU A1128      -6.485  18.311 -21.264  1.00 31.42           C  
+ATOM   3807  CD2 LEU A1128      -7.591  18.536 -23.546  1.00 31.56           C  
+ATOM   3808  H   LEU A1128      -4.998  21.646 -23.067  1.00 30.68           H  
+ATOM   3809  HA  LEU A1128      -7.653  21.266 -24.075  1.00 29.82           H  
+ATOM   3810  HB3 LEU A1128      -8.120  20.560 -21.670  1.00 28.63           H  
+ATOM   3811  HB2 LEU A1128      -6.477  20.990 -21.287  1.00 28.63           H  
+ATOM   3812  HG  LEU A1128      -5.705  19.280 -22.993  1.00 31.65           H  
+ATOM   3813 HD11 LEU A1128      -5.690  17.585 -21.423  1.00 31.42           H  
+ATOM   3814 HD12 LEU A1128      -6.218  18.891 -20.380  1.00 31.42           H  
+ATOM   3815 HD13 LEU A1128      -7.389  17.754 -21.021  1.00 31.42           H  
+ATOM   3816 HD21 LEU A1128      -7.666  17.461 -23.387  1.00 31.56           H  
+ATOM   3817 HD22 LEU A1128      -8.598  18.949 -23.530  1.00 31.56           H  
+ATOM   3818 HD23 LEU A1128      -7.190  18.666 -24.551  1.00 31.56           H  
+ATOM   3819  N   GLU A1129      -7.111  23.970 -22.287  1.00 37.30           N  
+ATOM   3820  CA  GLU A1129      -7.635  25.303 -21.970  1.00 38.66           C  
+ATOM   3821  C   GLU A1129      -7.913  26.163 -23.221  1.00 42.10           C  
+ATOM   3822  O   GLU A1129      -8.814  26.998 -23.164  1.00 42.78           O  
+ATOM   3823  CB  GLU A1129      -6.689  26.015 -20.977  1.00 41.41           C  
+ATOM   3824  CG  GLU A1129      -6.651  25.380 -19.562  1.00 54.54           C  
+ATOM   3825  CD  GLU A1129      -7.828  25.690 -18.623  1.00 90.90           C  
+ATOM   3826  OE1 GLU A1129      -8.701  26.512 -18.980  1.00 94.26           O  
+ATOM   3827  OE2 GLU A1129      -7.829  25.084 -17.528  1.00 91.13           O1-
+ATOM   3828  H   GLU A1129      -6.121  23.834 -22.132  1.00 37.30           H  
+ATOM   3829  HA  GLU A1129      -8.598  25.171 -21.473  1.00 38.66           H  
+ATOM   3830  HB3 GLU A1129      -6.930  27.078 -20.910  1.00 41.41           H  
+ATOM   3831  HB2 GLU A1129      -5.677  25.987 -21.380  1.00 41.41           H  
+ATOM   3832  HG3 GLU A1129      -5.737  25.701 -19.061  1.00 54.54           H  
+ATOM   3833  HG2 GLU A1129      -6.588  24.297 -19.642  1.00 54.54           H  
+ATOM   3834  N   ARG A1130      -7.197  25.913 -24.338  1.00 37.87           N  
+ATOM   3835  CA  ARG A1130      -7.488  26.505 -25.654  1.00 37.84           C  
+ATOM   3836  C   ARG A1130      -8.679  25.846 -26.380  1.00 41.63           C  
+ATOM   3837  O   ARG A1130      -9.123  26.396 -27.388  1.00 42.60           O  
+ATOM   3838  CB  ARG A1130      -6.245  26.462 -26.568  1.00 37.09           C  
+ATOM   3839  CG  ARG A1130      -5.079  27.349 -26.098  1.00 43.14           C  
+ATOM   3840  CD  ARG A1130      -3.989  27.550 -27.169  1.00 47.74           C  
+ATOM   3841  NE  ARG A1130      -3.251  26.315 -27.492  1.00 51.85           N  
+ATOM   3842  CZ  ARG A1130      -2.136  25.843 -26.909  1.00 60.61           C  
+ATOM   3843  NH1 ARG A1130      -1.551  26.467 -25.877  1.00 54.41           N  
+ATOM   3844  NH2 ARG A1130      -1.591  24.716 -27.381  1.00 41.74           N1+
+ATOM   3845  H   ARG A1130      -6.457  25.226 -24.309  1.00 37.87           H  
+ATOM   3846  HA  ARG A1130      -7.759  27.552 -25.510  1.00 37.84           H  
+ATOM   3847  HB3 ARG A1130      -6.529  26.801 -27.565  1.00 37.09           H  
+ATOM   3848  HB2 ARG A1130      -5.907  25.432 -26.692  1.00 37.09           H  
+ATOM   3849  HG3 ARG A1130      -4.631  26.862 -25.236  1.00 43.14           H  
+ATOM   3850  HG2 ARG A1130      -5.421  28.318 -25.734  1.00 43.14           H  
+ATOM   3851  HD3 ARG A1130      -3.337  28.392 -26.934  1.00 47.74           H  
+ATOM   3852  HD2 ARG A1130      -4.479  27.819 -28.105  1.00 47.74           H  
+ATOM   3853  HE  ARG A1130      -3.654  25.755 -28.237  1.00 51.85           H  
+ATOM   3854 HH12 ARG A1130      -0.700  26.096 -25.473  1.00 54.41           H  
+ATOM   3855 HH11 ARG A1130      -1.958  27.309 -25.499  1.00 54.41           H  
+ATOM   3856 HH22 ARG A1130      -0.746  24.342 -26.971  1.00 41.74           H  
+ATOM   3857 HH21 ARG A1130      -2.025  24.233 -28.159  1.00 41.74           H  
+ATOM   3858  N   GLY A1131      -9.182  24.706 -25.877  1.00 36.22           N  
+ATOM   3859  CA  GLY A1131     -10.334  24.012 -26.448  1.00 35.40           C  
+ATOM   3860  C   GLY A1131      -9.934  22.919 -27.454  1.00 37.10           C  
+ATOM   3861  O   GLY A1131     -10.828  22.362 -28.092  1.00 36.00           O  
+ATOM   3862  H   GLY A1131      -8.774  24.316 -25.039  1.00 36.22           H  
+ATOM   3863  HA3 GLY A1131     -11.019  24.712 -26.930  1.00 35.40           H  
+ATOM   3864  HA2 GLY A1131     -10.895  23.555 -25.634  1.00 35.40           H  
+ATOM   3865  N   GLU A1132      -8.634  22.588 -27.593  1.00 32.13           N  
+ATOM   3866  CA  GLU A1132      -8.152  21.484 -28.432  1.00 31.71           C  
+ATOM   3867  C   GLU A1132      -8.485  20.127 -27.792  1.00 33.67           C  
+ATOM   3868  O   GLU A1132      -8.215  19.932 -26.607  1.00 31.64           O  
+ATOM   3869  CB  GLU A1132      -6.631  21.578 -28.673  1.00 33.82           C  
+ATOM   3870  CG  GLU A1132      -6.147  22.930 -29.242  1.00 48.90           C  
+ATOM   3871  CD  GLU A1132      -4.648  22.987 -29.588  1.00 65.96           C  
+ATOM   3872  OE1 GLU A1132      -4.020  21.920 -29.774  1.00 51.67           O  
+ATOM   3873  OE2 GLU A1132      -4.138  24.126 -29.661  1.00 68.15           O1-
+ATOM   3874  H   GLU A1132      -7.932  23.064 -27.043  1.00 32.13           H  
+ATOM   3875  HA  GLU A1132      -8.650  21.555 -29.401  1.00 31.71           H  
+ATOM   3876  HB3 GLU A1132      -6.358  20.778 -29.363  1.00 33.82           H  
+ATOM   3877  HB2 GLU A1132      -6.092  21.366 -27.750  1.00 33.82           H  
+ATOM   3878  HG3 GLU A1132      -6.370  23.725 -28.528  1.00 48.90           H  
+ATOM   3879  HG2 GLU A1132      -6.708  23.164 -30.148  1.00 48.90           H  
+ATOM   3880  N   ARG A1133      -9.057  19.223 -28.597  1.00 30.19           N  
+ATOM   3881  CA  ARG A1133      -9.473  17.883 -28.189  1.00 28.71           C  
+ATOM   3882  C   ARG A1133      -8.893  16.828 -29.135  1.00 31.32           C  
+ATOM   3883  O   ARG A1133      -8.379  17.155 -30.206  1.00 31.52           O  
+ATOM   3884  CB  ARG A1133     -11.020  17.801 -28.214  1.00 28.69           C  
+ATOM   3885  CG  ARG A1133     -11.752  18.739 -27.243  1.00 29.69           C  
+ATOM   3886  CD  ARG A1133     -11.467  18.447 -25.762  1.00 29.80           C  
+ATOM   3887  NE  ARG A1133     -12.104  19.440 -24.888  1.00 30.88           N  
+ATOM   3888  CZ  ARG A1133     -11.563  20.555 -24.375  1.00 38.38           C  
+ATOM   3889  NH1 ARG A1133     -10.304  20.910 -24.630  1.00 29.25           N  
+ATOM   3890  NH2 ARG A1133     -12.300  21.334 -23.580  1.00 30.33           N1+
+ATOM   3891  H   ARG A1133      -9.206  19.449 -29.570  1.00 30.19           H  
+ATOM   3892  HA  ARG A1133      -9.096  17.644 -27.194  1.00 28.71           H  
+ATOM   3893  HB3 ARG A1133     -11.338  16.783 -27.988  1.00 28.69           H  
+ATOM   3894  HB2 ARG A1133     -11.379  18.000 -29.226  1.00 28.69           H  
+ATOM   3895  HG3 ARG A1133     -12.811  18.534 -27.405  1.00 29.69           H  
+ATOM   3896  HG2 ARG A1133     -11.617  19.793 -27.488  1.00 29.69           H  
+ATOM   3897  HD3 ARG A1133     -10.416  18.278 -25.534  1.00 29.80           H  
+ATOM   3898  HD2 ARG A1133     -11.971  17.516 -25.507  1.00 29.80           H  
+ATOM   3899  HE  ARG A1133     -13.080  19.267 -24.675  1.00 30.88           H  
+ATOM   3900 HH12 ARG A1133      -9.910  21.733 -24.190  1.00 29.25           H  
+ATOM   3901 HH11 ARG A1133      -9.729  20.358 -25.254  1.00 29.25           H  
+ATOM   3902 HH22 ARG A1133     -11.914  22.164 -23.147  1.00 30.33           H  
+ATOM   3903 HH21 ARG A1133     -13.242  21.051 -23.343  1.00 30.33           H  
+ATOM   3904  N   LEU A1134      -9.066  15.559 -28.729  1.00 26.90           N  
+ATOM   3905  CA  LEU A1134      -8.920  14.377 -29.578  1.00 26.48           C  
+ATOM   3906  C   LEU A1134      -9.922  14.452 -30.755  1.00 31.07           C  
+ATOM   3907  O   LEU A1134     -11.084  14.798 -30.519  1.00 29.22           O  
+ATOM   3908  CB  LEU A1134      -9.227  13.131 -28.716  1.00 25.80           C  
+ATOM   3909  CG  LEU A1134      -8.150  12.780 -27.669  1.00 28.43           C  
+ATOM   3910  CD1 LEU A1134      -8.687  11.804 -26.598  1.00 27.29           C  
+ATOM   3911  CD2 LEU A1134      -6.849  12.276 -28.328  1.00 31.24           C  
+ATOM   3912  H   LEU A1134      -9.480  15.389 -27.824  1.00 26.90           H  
+ATOM   3913  HA  LEU A1134      -7.887  14.366 -29.920  1.00 26.48           H  
+ATOM   3914  HB3 LEU A1134      -9.381  12.261 -29.356  1.00 25.80           H  
+ATOM   3915  HB2 LEU A1134     -10.176  13.294 -28.210  1.00 25.80           H  
+ATOM   3916  HG  LEU A1134      -7.905  13.704 -27.146  1.00 28.43           H  
+ATOM   3917 HD11 LEU A1134      -8.685  12.274 -25.614  1.00 27.29           H  
+ATOM   3918 HD12 LEU A1134      -9.712  11.493 -26.801  1.00 27.29           H  
+ATOM   3919 HD13 LEU A1134      -8.090  10.896 -26.515  1.00 27.29           H  
+ATOM   3920 HD21 LEU A1134      -5.979  12.788 -27.916  1.00 31.24           H  
+ATOM   3921 HD22 LEU A1134      -6.702  11.207 -28.187  1.00 31.24           H  
+ATOM   3922 HD23 LEU A1134      -6.840  12.434 -29.405  1.00 31.24           H  
+ATOM   3923  N   PRO A1135      -9.461  14.169 -31.996  1.00 29.27           N  
+ATOM   3924  CA  PRO A1135     -10.301  14.292 -33.205  1.00 29.71           C  
+ATOM   3925  C   PRO A1135     -11.454  13.274 -33.250  1.00 33.63           C  
+ATOM   3926  O   PRO A1135     -11.470  12.330 -32.463  1.00 33.51           O  
+ATOM   3927  CB  PRO A1135      -9.297  14.071 -34.350  1.00 32.38           C  
+ATOM   3928  CG  PRO A1135      -8.239  13.155 -33.758  1.00 35.83           C  
+ATOM   3929  CD  PRO A1135      -8.131  13.647 -32.322  1.00 30.45           C  
+ATOM   3930  HA  PRO A1135     -10.724  15.296 -33.270  1.00 29.71           H  
+ATOM   3931  HB3 PRO A1135      -8.843  15.026 -34.619  1.00 32.38           H  
+ATOM   3932  HB2 PRO A1135      -9.741  13.657 -35.256  1.00 32.38           H  
+ATOM   3933  HG3 PRO A1135      -7.292  13.176 -34.297  1.00 35.83           H  
+ATOM   3934  HG2 PRO A1135      -8.608  12.128 -33.763  1.00 35.83           H  
+ATOM   3935  HD2 PRO A1135      -7.817  12.838 -31.661  1.00 30.45           H  
+ATOM   3936  HD3 PRO A1135      -7.405  14.459 -32.250  1.00 30.45           H  
+ATOM   3937  N   ARG A1136     -12.403  13.485 -34.175  1.00 30.63           N  
+ATOM   3938  CA  ARG A1136     -13.489  12.542 -34.449  1.00 30.68           C  
+ATOM   3939  C   ARG A1136     -12.918  11.260 -35.101  1.00 36.51           C  
+ATOM   3940  O   ARG A1136     -12.334  11.380 -36.180  1.00 36.37           O  
+ATOM   3941  CB  ARG A1136     -14.520  13.239 -35.363  1.00 28.69           C  
+ATOM   3942  CG  ARG A1136     -15.767  12.376 -35.663  1.00 33.51           C  
+ATOM   3943  CD  ARG A1136     -16.813  13.052 -36.569  1.00 37.56           C  
+ATOM   3944  NE  ARG A1136     -16.331  13.225 -37.953  1.00 52.22           N  
+ATOM   3945  CZ  ARG A1136     -16.259  12.292 -38.924  1.00 71.16           C  
+ATOM   3946  NH1 ARG A1136     -15.719  12.622 -40.102  1.00 60.58           N  
+ATOM   3947  NH2 ARG A1136     -16.705  11.039 -38.758  1.00 53.25           N1+
+ATOM   3948  H   ARG A1136     -12.337  14.282 -34.790  1.00 30.63           H  
+ATOM   3949  HA  ARG A1136     -13.993  12.326 -33.513  1.00 30.68           H  
+ATOM   3950  HB3 ARG A1136     -14.041  13.534 -36.298  1.00 28.69           H  
+ATOM   3951  HB2 ARG A1136     -14.844  14.166 -34.889  1.00 28.69           H  
+ATOM   3952  HG3 ARG A1136     -16.235  11.998 -34.754  1.00 33.51           H  
+ATOM   3953  HG2 ARG A1136     -15.415  11.487 -36.185  1.00 33.51           H  
+ATOM   3954  HD3 ARG A1136     -16.962  14.070 -36.209  1.00 37.56           H  
+ATOM   3955  HD2 ARG A1136     -17.790  12.574 -36.506  1.00 37.56           H  
+ATOM   3956  HE  ARG A1136     -15.958  14.141 -38.160  1.00 52.22           H  
+ATOM   3957 HH12 ARG A1136     -15.643  11.928 -40.833  1.00 60.58           H  
+ATOM   3958 HH11 ARG A1136     -15.369  13.555 -40.267  1.00 60.58           H  
+ATOM   3959 HH22 ARG A1136     -16.616  10.365 -39.509  1.00 53.25           H  
+ATOM   3960 HH21 ARG A1136     -17.156  10.764 -37.894  1.00 53.25           H  
+ATOM   3961  N   PRO A1137     -13.090  10.072 -34.466  1.00 34.19           N  
+ATOM   3962  CA  PRO A1137     -12.755   8.775 -35.097  1.00 34.79           C  
+ATOM   3963  C   PRO A1137     -13.489   8.552 -36.430  1.00 39.69           C  
+ATOM   3964  O   PRO A1137     -14.627   9.001 -36.574  1.00 37.63           O  
+ATOM   3965  CB  PRO A1137     -13.184   7.726 -34.056  1.00 35.61           C  
+ATOM   3966  CG  PRO A1137     -13.216   8.472 -32.737  1.00 38.50           C  
+ATOM   3967  CD  PRO A1137     -13.669   9.865 -33.137  1.00 34.62           C  
+ATOM   3968  HA  PRO A1137     -11.673   8.740 -35.241  1.00 34.79           H  
+ATOM   3969  HB3 PRO A1137     -12.515   6.866 -34.029  1.00 35.61           H  
+ATOM   3970  HB2 PRO A1137     -14.179   7.341 -34.276  1.00 35.61           H  
+ATOM   3971  HG3 PRO A1137     -12.203   8.527 -32.343  1.00 38.50           H  
+ATOM   3972  HG2 PRO A1137     -13.845   8.010 -31.977  1.00 38.50           H  
+ATOM   3973  HD2 PRO A1137     -14.756   9.915 -33.210  1.00 34.62           H  
+ATOM   3974  HD3 PRO A1137     -13.341  10.587 -32.392  1.00 34.62           H  
+ATOM   3975  N   ASP A1138     -12.831   7.871 -37.382  1.00 39.28           N  
+ATOM   3976  CA  ASP A1138     -13.412   7.551 -38.689  1.00 41.69           C  
+ATOM   3977  C   ASP A1138     -14.671   6.672 -38.524  1.00 47.14           C  
+ATOM   3978  O   ASP A1138     -14.596   5.641 -37.857  1.00 46.83           O  
+ATOM   3979  CB  ASP A1138     -12.379   6.878 -39.627  1.00 45.59           C  
+ATOM   3980  CG  ASP A1138     -12.841   6.659 -41.081  1.00 68.02           C  
+ATOM   3981  OD1 ASP A1138     -13.561   7.534 -41.617  1.00 70.17           O  
+ATOM   3982  OD2 ASP A1138     -12.370   5.669 -41.680  1.00 78.75           O1-
+ATOM   3983  H   ASP A1138     -11.901   7.518 -37.202  1.00 39.28           H  
+ATOM   3984  HA  ASP A1138     -13.707   8.507 -39.129  1.00 41.69           H  
+ATOM   3985  HB3 ASP A1138     -12.061   5.928 -39.191  1.00 45.59           H  
+ATOM   3986  HB2 ASP A1138     -11.474   7.487 -39.657  1.00 45.59           H  
+ATOM   3987  N   LYS A1139     -15.787   7.121 -39.122  1.00 45.46           N  
+ATOM   3988  CA  LYS A1139     -17.125   6.513 -39.096  1.00 46.10           C  
+ATOM   3989  C   LYS A1139     -17.896   6.707 -37.769  1.00 48.03           C  
+ATOM   3990  O   LYS A1139     -18.998   6.171 -37.652  1.00 49.27           O  
+ATOM   3991  CB  LYS A1139     -17.111   5.032 -39.572  1.00 50.14           C  
+ATOM   3992  CG  LYS A1139     -16.473   4.800 -40.960  1.00 69.71           C  
+ATOM   3993  CD  LYS A1139     -17.327   5.276 -42.154  1.00 83.93           C  
+ATOM   3994  CE  LYS A1139     -18.387   4.261 -42.620  1.00 98.25           C  
+ATOM   3995  NZ  LYS A1139     -17.787   3.120 -43.339  1.00107.70           N1+
+ATOM   3996  H   LYS A1139     -15.721   7.971 -39.667  1.00 45.46           H  
+ATOM   3997  HA  LYS A1139     -17.700   7.085 -39.823  1.00 46.10           H  
+ATOM   3998  HB3 LYS A1139     -18.125   4.631 -39.581  1.00 50.14           H  
+ATOM   3999  HB2 LYS A1139     -16.577   4.421 -38.844  1.00 50.14           H  
+ATOM   4000  HG3 LYS A1139     -16.242   3.740 -41.065  1.00 69.71           H  
+ATOM   4001  HG2 LYS A1139     -15.504   5.294 -41.008  1.00 69.71           H  
+ATOM   4002  HD3 LYS A1139     -16.668   5.542 -42.983  1.00 83.93           H  
+ATOM   4003  HD2 LYS A1139     -17.835   6.204 -41.894  1.00 83.93           H  
+ATOM   4004  HE3 LYS A1139     -19.086   4.750 -43.300  1.00 98.25           H  
+ATOM   4005  HE2 LYS A1139     -18.972   3.894 -41.776  1.00 98.25           H  
+ATOM   4006  HZ1 LYS A1139     -17.150   2.633 -42.725  1.00107.70           H  
+ATOM   4007  HZ2 LYS A1139     -18.514   2.488 -43.641  1.00107.70           H  
+ATOM   4008  HZ3 LYS A1139     -17.280   3.459 -44.144  1.00107.70           H  
+ATOM   4009  N   CYS A1140     -17.360   7.506 -36.824  1.00 40.64           N  
+ATOM   4010  CA  CYS A1140     -18.073   7.971 -35.628  1.00 37.44           C  
+ATOM   4011  C   CYS A1140     -19.107   9.036 -36.059  1.00 40.28           C  
+ATOM   4012  O   CYS A1140     -18.681  10.031 -36.649  1.00 40.75           O  
+ATOM   4013  CB  CYS A1140     -17.092   8.570 -34.594  1.00 35.57           C  
+ATOM   4014  SG  CYS A1140     -17.925   9.228 -33.115  1.00 37.88           S  
+ATOM   4015  H   CYS A1140     -16.443   7.905 -36.975  1.00 40.64           H  
+ATOM   4016  HA  CYS A1140     -18.529   7.103 -35.156  1.00 37.44           H  
+ATOM   4017  HB3 CYS A1140     -16.523   9.390 -35.028  1.00 35.57           H  
+ATOM   4018  HB2 CYS A1140     -16.379   7.811 -34.276  1.00 35.57           H  
+ATOM   4019  HG  CYS A1140     -18.566  10.224 -33.737  1.00 37.88           H  
+ATOM   4020  N   PRO A1141     -20.417   8.841 -35.769  1.00 34.69           N  
+ATOM   4021  CA  PRO A1141     -21.453   9.864 -36.018  1.00 34.83           C  
+ATOM   4022  C   PRO A1141     -21.139  11.231 -35.386  1.00 36.98           C  
+ATOM   4023  O   PRO A1141     -20.591  11.277 -34.284  1.00 34.16           O  
+ATOM   4024  CB  PRO A1141     -22.730   9.258 -35.415  1.00 36.57           C  
+ATOM   4025  CG  PRO A1141     -22.492   7.760 -35.407  1.00 40.74           C  
+ATOM   4026  CD  PRO A1141     -20.997   7.650 -35.152  1.00 36.09           C  
+ATOM   4027  HA  PRO A1141     -21.564   9.961 -37.100  1.00 34.83           H  
+ATOM   4028  HB3 PRO A1141     -23.617   9.531 -35.987  1.00 36.57           H  
+ATOM   4029  HB2 PRO A1141     -22.882   9.605 -34.393  1.00 36.57           H  
+ATOM   4030  HG3 PRO A1141     -22.723   7.355 -36.393  1.00 40.74           H  
+ATOM   4031  HG2 PRO A1141     -23.096   7.225 -34.674  1.00 40.74           H  
+ATOM   4032  HD2 PRO A1141     -20.781   7.660 -34.082  1.00 36.09           H  
+ATOM   4033  HD3 PRO A1141     -20.615   6.725 -35.579  1.00 36.09           H  
+ATOM   4034  N   ALA A1142     -21.474  12.311 -36.111  1.00 34.46           N  
+ATOM   4035  CA  ALA A1142     -21.226  13.695 -35.699  1.00 34.01           C  
+ATOM   4036  C   ALA A1142     -21.857  14.069 -34.348  1.00 35.94           C  
+ATOM   4037  O   ALA A1142     -21.196  14.734 -33.555  1.00 33.77           O  
+ATOM   4038  CB  ALA A1142     -21.703  14.649 -36.804  1.00 35.94           C  
+ATOM   4039  H   ALA A1142     -21.912  12.188 -37.012  1.00 34.46           H  
+ATOM   4040  HA  ALA A1142     -20.145  13.811 -35.599  1.00 34.01           H  
+ATOM   4041  HB1 ALA A1142     -21.520  15.689 -36.532  1.00 35.94           H  
+ATOM   4042  HB2 ALA A1142     -21.176  14.459 -37.740  1.00 35.94           H  
+ATOM   4043  HB3 ALA A1142     -22.771  14.539 -36.995  1.00 35.94           H  
+ATOM   4044  N   GLU A1143     -23.088  13.595 -34.093  1.00 34.04           N  
+ATOM   4045  CA  GLU A1143     -23.826  13.837 -32.852  1.00 34.34           C  
+ATOM   4046  C   GLU A1143     -23.310  13.001 -31.661  1.00 35.13           C  
+ATOM   4047  O   GLU A1143     -23.388  13.473 -30.527  1.00 31.94           O  
+ATOM   4048  CB  GLU A1143     -25.328  13.641 -33.137  1.00 37.10           C  
+ATOM   4049  CG  GLU A1143     -26.262  14.065 -31.981  1.00 51.53           C  
+ATOM   4050  CD  GLU A1143     -27.757  14.104 -32.344  1.00 70.35           C  
+ATOM   4051  OE1 GLU A1143     -28.164  13.416 -33.308  1.00 77.38           O  
+ATOM   4052  OE2 GLU A1143     -28.485  14.832 -31.633  1.00 51.45           O1-
+ATOM   4053  H   GLU A1143     -23.565  13.046 -34.794  1.00 34.04           H  
+ATOM   4054  HA  GLU A1143     -23.684  14.887 -32.589  1.00 34.34           H  
+ATOM   4055  HB3 GLU A1143     -25.512  12.595 -33.389  1.00 37.10           H  
+ATOM   4056  HB2 GLU A1143     -25.589  14.215 -34.028  1.00 37.10           H  
+ATOM   4057  HG3 GLU A1143     -25.961  15.052 -31.624  1.00 51.53           H  
+ATOM   4058  HG2 GLU A1143     -26.144  13.384 -31.137  1.00 51.53           H  
+ATOM   4059  N   VAL A1144     -22.737  11.812 -31.934  1.00 32.23           N  
+ATOM   4060  CA  VAL A1144     -22.015  10.995 -30.949  1.00 30.46           C  
+ATOM   4061  C   VAL A1144     -20.657  11.629 -30.571  1.00 31.37           C  
+ATOM   4062  O   VAL A1144     -20.254  11.523 -29.412  1.00 28.93           O  
+ATOM   4063  CB  VAL A1144     -21.803   9.533 -31.453  1.00 34.90           C  
+ATOM   4064  CG1 VAL A1144     -20.854   8.663 -30.597  1.00 34.06           C  
+ATOM   4065  CG2 VAL A1144     -23.153   8.806 -31.595  1.00 35.48           C  
+ATOM   4066  H   VAL A1144     -22.694  11.492 -32.890  1.00 32.23           H  
+ATOM   4067  HA  VAL A1144     -22.619  10.953 -30.041  1.00 30.46           H  
+ATOM   4068  HB  VAL A1144     -21.363   9.579 -32.449  1.00 34.90           H  
+ATOM   4069 HG11 VAL A1144     -20.832   7.635 -30.960  1.00 34.06           H  
+ATOM   4070 HG12 VAL A1144     -19.825   9.021 -30.626  1.00 34.06           H  
+ATOM   4071 HG13 VAL A1144     -21.172   8.637 -29.555  1.00 34.06           H  
+ATOM   4072 HG21 VAL A1144     -23.024   7.801 -31.997  1.00 35.48           H  
+ATOM   4073 HG22 VAL A1144     -23.651   8.715 -30.630  1.00 35.48           H  
+ATOM   4074 HG23 VAL A1144     -23.833   9.335 -32.263  1.00 35.48           H  
+ATOM   4075  N   TYR A1145     -20.011  12.324 -31.527  1.00 28.72           N  
+ATOM   4076  CA  TYR A1145     -18.811  13.128 -31.294  1.00 28.17           C  
+ATOM   4077  C   TYR A1145     -19.098  14.406 -30.480  1.00 32.85           C  
+ATOM   4078  O   TYR A1145     -18.252  14.792 -29.676  1.00 32.29           O  
+ATOM   4079  CB  TYR A1145     -18.105  13.433 -32.635  1.00 29.44           C  
+ATOM   4080  CG  TYR A1145     -16.803  14.203 -32.490  1.00 31.74           C  
+ATOM   4081  CD1 TYR A1145     -15.715  13.593 -31.838  1.00 33.16           C  
+ATOM   4082  CD2 TYR A1145     -16.678  15.527 -32.960  1.00 33.69           C  
+ATOM   4083  CE1 TYR A1145     -14.525  14.307 -31.605  1.00 33.08           C  
+ATOM   4084  CE2 TYR A1145     -15.473  16.232 -32.762  1.00 34.55           C  
+ATOM   4085  CZ  TYR A1145     -14.402  15.629 -32.072  1.00 36.66           C  
+ATOM   4086  OH  TYR A1145     -13.246  16.322 -31.859  1.00 35.20           O  
+ATOM   4087  H   TYR A1145     -20.395  12.351 -32.462  1.00 28.72           H  
+ATOM   4088  HA  TYR A1145     -18.130  12.515 -30.701  1.00 28.17           H  
+ATOM   4089  HB3 TYR A1145     -18.769  13.983 -33.300  1.00 29.44           H  
+ATOM   4090  HB2 TYR A1145     -17.886  12.495 -33.145  1.00 29.44           H  
+ATOM   4091  HD1 TYR A1145     -15.805  12.568 -31.518  1.00 33.16           H  
+ATOM   4092  HD2 TYR A1145     -17.504  16.007 -33.463  1.00 33.69           H  
+ATOM   4093  HE1 TYR A1145     -13.705  13.829 -31.089  1.00 33.08           H  
+ATOM   4094  HE2 TYR A1145     -15.379  17.245 -33.125  1.00 34.55           H  
+ATOM   4095  HH  TYR A1145     -12.579  15.810 -31.389  1.00 35.20           H  
+ATOM   4096  N   HIS A1146     -20.285  15.014 -30.664  1.00 31.34           N  
+ATOM   4097  CA  HIS A1146     -20.745  16.171 -29.888  1.00 31.80           C  
+ATOM   4098  C   HIS A1146     -21.118  15.816 -28.439  1.00 32.90           C  
+ATOM   4099  O   HIS A1146     -20.906  16.649 -27.560  1.00 31.97           O  
+ATOM   4100  CB  HIS A1146     -21.912  16.882 -30.602  1.00 33.81           C  
+ATOM   4101  CG  HIS A1146     -21.607  17.404 -31.987  1.00 37.86           C  
+ATOM   4102  ND1 HIS A1146     -22.587  17.500 -32.980  1.00 40.76           N  
+ATOM   4103  CD2 HIS A1146     -20.407  17.852 -32.505  1.00 39.65           C  
+ATOM   4104  CE1 HIS A1146     -21.953  17.977 -34.043  1.00 40.91           C  
+ATOM   4105  NE2 HIS A1146     -20.658  18.204 -33.819  1.00 40.63           N  
+ATOM   4106  H   HIS A1146     -20.926  14.656 -31.360  1.00 31.34           H  
+ATOM   4107  HA  HIS A1146     -19.916  16.879 -29.830  1.00 31.80           H  
+ATOM   4108  HB3 HIS A1146     -22.249  17.730 -30.004  1.00 33.81           H  
+ATOM   4109  HB2 HIS A1146     -22.764  16.206 -30.675  1.00 33.81           H  
+ATOM   4110  HD2 HIS A1146     -19.426  17.934 -32.062  1.00 39.65           H  
+ATOM   4111  HE1 HIS A1146     -22.437  18.162 -34.990  1.00 40.91           H  
+ATOM   4112  HE2 HIS A1146     -19.991  18.567 -34.485  1.00 40.63           H  
+ATOM   4113  N   LEU A1147     -21.600  14.581 -28.204  1.00 29.07           N  
+ATOM   4114  CA  LEU A1147     -21.774  13.987 -26.874  1.00 28.56           C  
+ATOM   4115  C   LEU A1147     -20.424  13.781 -26.162  1.00 31.25           C  
+ATOM   4116  O   LEU A1147     -20.339  14.007 -24.956  1.00 29.28           O  
+ATOM   4117  CB  LEU A1147     -22.608  12.686 -27.012  1.00 29.23           C  
+ATOM   4118  CG  LEU A1147     -22.821  11.839 -25.727  1.00 34.50           C  
+ATOM   4119  CD1 LEU A1147     -24.102  10.991 -25.829  1.00 34.68           C  
+ATOM   4120  CD2 LEU A1147     -21.617  10.939 -25.363  1.00 36.84           C  
+ATOM   4121  H   LEU A1147     -21.785  13.969 -28.987  1.00 29.07           H  
+ATOM   4122  HA  LEU A1147     -22.354  14.689 -26.271  1.00 28.56           H  
+ATOM   4123  HB3 LEU A1147     -22.193  12.047 -27.789  1.00 29.23           H  
+ATOM   4124  HB2 LEU A1147     -23.580  12.997 -27.397  1.00 29.23           H  
+ATOM   4125  HG  LEU A1147     -22.982  12.537 -24.905  1.00 34.50           H  
+ATOM   4126 HD11 LEU A1147     -24.535  10.835 -24.840  1.00 34.68           H  
+ATOM   4127 HD12 LEU A1147     -24.865  11.464 -26.446  1.00 34.68           H  
+ATOM   4128 HD13 LEU A1147     -23.907  10.011 -26.263  1.00 34.68           H  
+ATOM   4129 HD21 LEU A1147     -21.910   9.906 -25.171  1.00 36.84           H  
+ATOM   4130 HD22 LEU A1147     -20.869  10.914 -26.155  1.00 36.84           H  
+ATOM   4131 HD23 LEU A1147     -21.126  11.296 -24.458  1.00 36.84           H  
+ATOM   4132  N   MET A1148     -19.398  13.382 -26.931  1.00 29.35           N  
+ATOM   4133  CA  MET A1148     -18.023  13.178 -26.481  1.00 30.67           C  
+ATOM   4134  C   MET A1148     -17.324  14.499 -26.106  1.00 31.09           C  
+ATOM   4135  O   MET A1148     -16.609  14.527 -25.108  1.00 28.70           O  
+ATOM   4136  CB  MET A1148     -17.263  12.408 -27.584  1.00 34.60           C  
+ATOM   4137  CG  MET A1148     -16.422  11.229 -27.075  1.00 40.60           C  
+ATOM   4138  SD  MET A1148     -16.088   9.986 -28.353  1.00 46.94           S  
+ATOM   4139  CE  MET A1148     -14.956  10.907 -29.417  1.00 42.17           C  
+ATOM   4140  H   MET A1148     -19.568  13.205 -27.912  1.00 29.35           H  
+ATOM   4141  HA  MET A1148     -18.079  12.561 -25.582  1.00 30.67           H  
+ATOM   4142  HB3 MET A1148     -16.621  13.093 -28.141  1.00 34.60           H  
+ATOM   4143  HB2 MET A1148     -17.962  12.020 -28.323  1.00 34.60           H  
+ATOM   4144  HG3 MET A1148     -16.944  10.714 -26.269  1.00 40.60           H  
+ATOM   4145  HG2 MET A1148     -15.481  11.587 -26.658  1.00 40.60           H  
+ATOM   4146  HE1 MET A1148     -14.845  10.406 -30.378  1.00 42.17           H  
+ATOM   4147  HE2 MET A1148     -15.325  11.915 -29.578  1.00 42.17           H  
+ATOM   4148  HE3 MET A1148     -13.979  10.989 -28.953  1.00 42.17           H  
+ATOM   4149  N   LYS A1149     -17.582  15.573 -26.876  1.00 27.88           N  
+ATOM   4150  CA  LYS A1149     -17.130  16.935 -26.580  1.00 27.39           C  
+ATOM   4151  C   LYS A1149     -17.905  17.607 -25.433  1.00 30.73           C  
+ATOM   4152  O   LYS A1149     -17.326  18.465 -24.768  1.00 30.19           O  
+ATOM   4153  CB  LYS A1149     -17.162  17.805 -27.853  1.00 30.13           C  
+ATOM   4154  CG  LYS A1149     -16.053  17.452 -28.862  1.00 40.57           C  
+ATOM   4155  CD  LYS A1149     -15.841  18.515 -29.953  1.00 49.92           C  
+ATOM   4156  CE  LYS A1149     -15.134  19.786 -29.445  1.00 55.31           C  
+ATOM   4157  NZ  LYS A1149     -14.832  20.722 -30.541  1.00 61.18           N1+
+ATOM   4158  H   LYS A1149     -18.155  15.461 -27.702  1.00 27.88           H  
+ATOM   4159  HA  LYS A1149     -16.093  16.870 -26.251  1.00 27.39           H  
+ATOM   4160  HB3 LYS A1149     -17.030  18.845 -27.556  1.00 30.13           H  
+ATOM   4161  HB2 LYS A1149     -18.142  17.757 -28.328  1.00 30.13           H  
+ATOM   4162  HG3 LYS A1149     -16.291  16.501 -29.338  1.00 40.57           H  
+ATOM   4163  HG2 LYS A1149     -15.109  17.292 -28.343  1.00 40.57           H  
+ATOM   4164  HD3 LYS A1149     -16.806  18.775 -30.392  1.00 49.92           H  
+ATOM   4165  HD2 LYS A1149     -15.252  18.074 -30.755  1.00 49.92           H  
+ATOM   4166  HE3 LYS A1149     -14.195  19.523 -28.961  1.00 55.31           H  
+ATOM   4167  HE2 LYS A1149     -15.743  20.306 -28.706  1.00 55.31           H  
+ATOM   4168  HZ1 LYS A1149     -14.350  21.529 -30.170  1.00 61.18           H  
+ATOM   4169  HZ2 LYS A1149     -14.244  20.266 -31.224  1.00 61.18           H  
+ATOM   4170  HZ3 LYS A1149     -15.692  21.018 -30.980  1.00 61.18           H  
+ATOM   4171  N   ASN A1150     -19.163  17.196 -25.190  1.00 27.52           N  
+ATOM   4172  CA  ASN A1150     -19.949  17.609 -24.024  1.00 27.53           C  
+ATOM   4173  C   ASN A1150     -19.480  16.886 -22.743  1.00 29.61           C  
+ATOM   4174  O   ASN A1150     -19.524  17.482 -21.669  1.00 29.79           O  
+ATOM   4175  CB  ASN A1150     -21.455  17.407 -24.311  1.00 28.97           C  
+ATOM   4176  CG  ASN A1150     -22.392  17.990 -23.243  1.00 41.34           C  
+ATOM   4177  OD1 ASN A1150     -23.281  17.293 -22.759  1.00 34.75           O  
+ATOM   4178  ND2 ASN A1150     -22.208  19.260 -22.873  1.00 35.14           N  
+ATOM   4179  H   ASN A1150     -19.595  16.518 -25.803  1.00 27.52           H  
+ATOM   4180  HA  ASN A1150     -19.776  18.674 -23.872  1.00 27.53           H  
+ATOM   4181  HB3 ASN A1150     -21.676  16.347 -24.441  1.00 28.97           H  
+ATOM   4182  HB2 ASN A1150     -21.712  17.892 -25.254  1.00 28.97           H  
+ATOM   4183 HD22 ASN A1150     -22.797  19.667 -22.161  1.00 35.14           H  
+ATOM   4184 HD21 ASN A1150     -21.474  19.824 -23.284  1.00 35.14           H  
+ATOM   4185  N   CYS A1151     -18.962  15.654 -22.885  1.00 24.02           N  
+ATOM   4186  CA  CYS A1151     -18.211  14.952 -21.843  1.00 24.87           C  
+ATOM   4187  C   CYS A1151     -16.829  15.586 -21.591  1.00 28.35           C  
+ATOM   4188  O   CYS A1151     -16.266  15.336 -20.531  1.00 26.56           O  
+ATOM   4189  CB  CYS A1151     -18.053  13.451 -22.154  1.00 25.12           C  
+ATOM   4190  SG  CYS A1151     -19.653  12.615 -22.009  1.00 29.56           S  
+ATOM   4191  H   CYS A1151     -18.988  15.208 -23.792  1.00 24.02           H  
+ATOM   4192  HA  CYS A1151     -18.766  15.045 -20.909  1.00 24.87           H  
+ATOM   4193  HB3 CYS A1151     -17.363  12.975 -21.458  1.00 25.12           H  
+ATOM   4194  HB2 CYS A1151     -17.655  13.284 -23.153  1.00 25.12           H  
+ATOM   4195  HG  CYS A1151     -20.206  13.197 -23.079  1.00 29.56           H  
+ATOM   4196  N   TRP A1152     -16.324  16.405 -22.531  1.00 24.56           N  
+ATOM   4197  CA  TRP A1152     -15.055  17.120 -22.426  1.00 24.31           C  
+ATOM   4198  C   TRP A1152     -15.242  18.648 -22.343  1.00 28.86           C  
+ATOM   4199  O   TRP A1152     -14.438  19.367 -22.931  1.00 29.11           O  
+ATOM   4200  CB  TRP A1152     -14.133  16.771 -23.615  1.00 23.52           C  
+ATOM   4201  CG  TRP A1152     -13.751  15.354 -23.892  1.00 23.91           C  
+ATOM   4202  CD1 TRP A1152     -13.461  14.406 -22.974  1.00 26.64           C  
+ATOM   4203  CD2 TRP A1152     -13.455  14.762 -25.193  1.00 24.07           C  
+ATOM   4204  NE1 TRP A1152     -13.022  13.270 -23.619  1.00 25.72           N  
+ATOM   4205  CE2 TRP A1152     -12.998  13.427 -24.990  1.00 26.84           C  
+ATOM   4206  CE3 TRP A1152     -13.518  15.223 -26.530  1.00 25.78           C  
+ATOM   4207  CZ2 TRP A1152     -12.627  12.593 -26.059  1.00 25.92           C  
+ATOM   4208  CZ3 TRP A1152     -13.164  14.392 -27.611  1.00 27.26           C  
+ATOM   4209  CH2 TRP A1152     -12.719  13.078 -27.375  1.00 27.17           C  
+ATOM   4210  H   TRP A1152     -16.854  16.570 -23.375  1.00 24.56           H  
+ATOM   4211  HA  TRP A1152     -14.544  16.820 -21.513  1.00 24.31           H  
+ATOM   4212  HB3 TRP A1152     -13.179  17.274 -23.470  1.00 23.52           H  
+ATOM   4213  HB2 TRP A1152     -14.561  17.173 -24.533  1.00 23.52           H  
+ATOM   4214  HD1 TRP A1152     -13.541  14.539 -21.905  1.00 26.64           H  
+ATOM   4215  HE1 TRP A1152     -12.742  12.439 -23.115  1.00 25.72           H  
+ATOM   4216  HE3 TRP A1152     -13.847  16.232 -26.724  1.00 25.78           H  
+ATOM   4217  HZ2 TRP A1152     -12.271  11.592 -25.875  1.00 25.92           H  
+ATOM   4218  HZ3 TRP A1152     -13.224  14.768 -28.622  1.00 27.26           H  
+ATOM   4219  HH2 TRP A1152     -12.429  12.450 -28.204  1.00 27.17           H  
+ATOM   4220  N   GLU A1153     -16.246  19.168 -21.617  1.00 25.75           N  
+ATOM   4221  CA  GLU A1153     -16.296  20.609 -21.312  1.00 26.82           C  
+ATOM   4222  C   GLU A1153     -15.182  20.967 -20.316  1.00 30.62           C  
+ATOM   4223  O   GLU A1153     -14.998  20.223 -19.354  1.00 26.79           O  
+ATOM   4224  CB  GLU A1153     -17.677  21.013 -20.754  1.00 28.38           C  
+ATOM   4225  CG  GLU A1153     -18.851  20.778 -21.729  1.00 35.13           C  
+ATOM   4226  CD  GLU A1153     -19.019  21.791 -22.872  1.00 54.88           C  
+ATOM   4227  OE1 GLU A1153     -18.289  22.809 -22.904  1.00 51.30           O  
+ATOM   4228  OE2 GLU A1153     -19.904  21.522 -23.714  1.00 50.04           O1-
+ATOM   4229  H   GLU A1153     -16.923  18.572 -21.163  1.00 25.75           H  
+ATOM   4230  HA  GLU A1153     -16.127  21.169 -22.234  1.00 26.82           H  
+ATOM   4231  HB3 GLU A1153     -17.654  22.057 -20.439  1.00 28.38           H  
+ATOM   4232  HB2 GLU A1153     -17.877  20.469 -19.835  1.00 28.38           H  
+ATOM   4233  HG3 GLU A1153     -19.783  20.752 -21.166  1.00 35.13           H  
+ATOM   4234  HG2 GLU A1153     -18.747  19.794 -22.176  1.00 35.13           H  
+ATOM   4235  N   THR A1154     -14.461  22.078 -20.558  1.00 30.88           N  
+ATOM   4236  CA  THR A1154     -13.407  22.588 -19.666  1.00 31.88           C  
+ATOM   4237  C   THR A1154     -13.958  22.921 -18.266  1.00 35.93           C  
+ATOM   4238  O   THR A1154     -13.336  22.557 -17.269  1.00 35.75           O  
+ATOM   4239  CB  THR A1154     -12.729  23.871 -20.227  1.00 43.66           C  
+ATOM   4240  OG1 THR A1154     -12.128  23.591 -21.474  1.00 44.97           O  
+ATOM   4241  CG2 THR A1154     -11.644  24.510 -19.337  1.00 43.44           C  
+ATOM   4242  H   THR A1154     -14.677  22.654 -21.360  1.00 30.88           H  
+ATOM   4243  HA  THR A1154     -12.650  21.808 -19.559  1.00 31.88           H  
+ATOM   4244  HB  THR A1154     -13.497  24.624 -20.416  1.00 43.66           H  
+ATOM   4245  HG1 THR A1154     -11.564  24.333 -21.708  1.00 44.97           H  
+ATOM   4246 HG21 THR A1154     -11.164  25.344 -19.848  1.00 43.44           H  
+ATOM   4247 HG22 THR A1154     -12.053  24.908 -18.408  1.00 43.44           H  
+ATOM   4248 HG23 THR A1154     -10.866  23.792 -19.078  1.00 43.44           H  
+ATOM   4249  N   GLU A1155     -15.151  23.538 -18.239  1.00 34.13           N  
+ATOM   4250  CA  GLU A1155     -15.947  23.780 -17.043  1.00 35.75           C  
+ATOM   4251  C   GLU A1155     -16.609  22.461 -16.603  1.00 37.89           C  
+ATOM   4252  O   GLU A1155     -17.338  21.854 -17.390  1.00 35.58           O  
+ATOM   4253  CB  GLU A1155     -16.986  24.869 -17.390  1.00 38.82           C  
+ATOM   4254  CG  GLU A1155     -17.759  25.463 -16.192  1.00 56.26           C  
+ATOM   4255  CD  GLU A1155     -17.027  26.559 -15.396  1.00 89.36           C  
+ATOM   4256  OE1 GLU A1155     -15.794  26.714 -15.553  1.00 94.02           O  
+ATOM   4257  OE2 GLU A1155     -17.732  27.243 -14.623  1.00 89.74           O1-
+ATOM   4258  H   GLU A1155     -15.595  23.783 -19.114  1.00 34.13           H  
+ATOM   4259  HA  GLU A1155     -15.285  24.141 -16.255  1.00 35.75           H  
+ATOM   4260  HB3 GLU A1155     -17.714  24.442 -18.079  1.00 38.82           H  
+ATOM   4261  HB2 GLU A1155     -16.513  25.671 -17.959  1.00 38.82           H  
+ATOM   4262  HG3 GLU A1155     -18.060  24.672 -15.505  1.00 56.26           H  
+ATOM   4263  HG2 GLU A1155     -18.686  25.895 -16.569  1.00 56.26           H  
+ATOM   4264  N   ALA A1156     -16.323  22.039 -15.361  1.00 35.19           N  
+ATOM   4265  CA  ALA A1156     -16.768  20.764 -14.791  1.00 35.22           C  
+ATOM   4266  C   ALA A1156     -18.290  20.628 -14.624  1.00 38.77           C  
+ATOM   4267  O   ALA A1156     -18.808  19.521 -14.768  1.00 37.90           O  
+ATOM   4268  CB  ALA A1156     -16.050  20.537 -13.452  1.00 36.33           C  
+ATOM   4269  H   ALA A1156     -15.714  22.596 -14.779  1.00 35.19           H  
+ATOM   4270  HA  ALA A1156     -16.460  19.979 -15.480  1.00 35.22           H  
+ATOM   4271  HB1 ALA A1156     -16.336  19.585 -13.003  1.00 36.33           H  
+ATOM   4272  HB2 ALA A1156     -14.968  20.521 -13.586  1.00 36.33           H  
+ATOM   4273  HB3 ALA A1156     -16.283  21.324 -12.734  1.00 36.33           H  
+ATOM   4274  N   SER A1157     -18.973  21.752 -14.350  1.00 35.61           N  
+ATOM   4275  CA  SER A1157     -20.425  21.838 -14.187  1.00 35.08           C  
+ATOM   4276  C   SER A1157     -21.220  21.658 -15.496  1.00 37.46           C  
+ATOM   4277  O   SER A1157     -22.380  21.252 -15.426  1.00 37.36           O  
+ATOM   4278  CB  SER A1157     -20.758  23.166 -13.474  1.00 40.33           C  
+ATOM   4279  OG  SER A1157     -20.526  24.290 -14.302  1.00 48.92           O  
+ATOM   4280  H   SER A1157     -18.473  22.627 -14.268  1.00 35.61           H  
+ATOM   4281  HA  SER A1157     -20.722  21.028 -13.518  1.00 35.08           H  
+ATOM   4282  HB3 SER A1157     -20.175  23.270 -12.559  1.00 40.33           H  
+ATOM   4283  HB2 SER A1157     -21.808  23.175 -13.177  1.00 40.33           H  
+ATOM   4284  HG  SER A1157     -20.663  25.089 -13.787  1.00 48.92           H  
+ATOM   4285  N   PHE A1158     -20.594  21.943 -16.652  1.00 32.83           N  
+ATOM   4286  CA  PHE A1158     -21.211  21.817 -17.977  1.00 32.10           C  
+ATOM   4287  C   PHE A1158     -21.235  20.368 -18.506  1.00 33.92           C  
+ATOM   4288  O   PHE A1158     -21.989  20.095 -19.440  1.00 31.85           O  
+ATOM   4289  CB  PHE A1158     -20.492  22.746 -18.982  1.00 33.90           C  
+ATOM   4290  CG  PHE A1158     -20.572  24.255 -18.779  1.00 37.34           C  
+ATOM   4291  CD1 PHE A1158     -21.350  24.854 -17.761  1.00 41.32           C  
+ATOM   4292  CD2 PHE A1158     -19.860  25.088 -19.667  1.00 39.43           C  
+ATOM   4293  CE1 PHE A1158     -21.376  26.237 -17.629  1.00 43.51           C  
+ATOM   4294  CE2 PHE A1158     -19.899  26.468 -19.518  1.00 43.26           C  
+ATOM   4295  CZ  PHE A1158     -20.651  27.039 -18.500  1.00 42.52           C  
+ATOM   4296  H   PHE A1158     -19.640  22.276 -16.633  1.00 32.83           H  
+ATOM   4297  HA  PHE A1158     -22.254  22.132 -17.914  1.00 32.10           H  
+ATOM   4298  HB3 PHE A1158     -20.865  22.551 -19.989  1.00 33.90           H  
+ATOM   4299  HB2 PHE A1158     -19.434  22.486 -19.005  1.00 33.90           H  
+ATOM   4300  HD1 PHE A1158     -21.924  24.259 -17.068  1.00 41.32           H  
+ATOM   4301  HD2 PHE A1158     -19.272  24.652 -20.462  1.00 39.43           H  
+ATOM   4302  HE1 PHE A1158     -21.961  26.689 -16.842  1.00 43.51           H  
+ATOM   4303  HE2 PHE A1158     -19.341  27.098 -20.195  1.00 43.26           H  
+ATOM   4304  HZ  PHE A1158     -20.675  28.113 -18.387  1.00 42.52           H  
+ATOM   4305  N   ARG A1159     -20.427  19.471 -17.910  1.00 27.94           N  
+ATOM   4306  CA  ARG A1159     -20.374  18.048 -18.252  1.00 27.11           C  
+ATOM   4307  C   ARG A1159     -21.594  17.292 -17.675  1.00 29.97           C  
+ATOM   4308  O   ARG A1159     -21.952  17.544 -16.523  1.00 28.45           O  
+ATOM   4309  CB  ARG A1159     -19.051  17.442 -17.730  1.00 27.28           C  
+ATOM   4310  CG  ARG A1159     -17.798  18.119 -18.323  1.00 37.58           C  
+ATOM   4311  CD  ARG A1159     -16.482  17.351 -18.117  1.00 43.51           C  
+ATOM   4312  NE  ARG A1159     -16.002  17.327 -16.729  1.00 43.50           N  
+ATOM   4313  CZ  ARG A1159     -14.958  17.974 -16.179  1.00 45.54           C  
+ATOM   4314  NH1 ARG A1159     -14.215  18.876 -16.833  1.00 36.88           N  
+ATOM   4315  NH2 ARG A1159     -14.641  17.690 -14.916  1.00 30.01           N1+
+ATOM   4316  H   ARG A1159     -19.846  19.768 -17.138  1.00 27.94           H  
+ATOM   4317  HA  ARG A1159     -20.362  18.001 -19.337  1.00 27.11           H  
+ATOM   4318  HB3 ARG A1159     -19.028  16.386 -17.997  1.00 27.28           H  
+ATOM   4319  HB2 ARG A1159     -19.015  17.480 -16.640  1.00 27.28           H  
+ATOM   4320  HG3 ARG A1159     -17.708  19.088 -17.830  1.00 37.58           H  
+ATOM   4321  HG2 ARG A1159     -17.924  18.323 -19.385  1.00 37.58           H  
+ATOM   4322  HD3 ARG A1159     -15.725  17.616 -18.853  1.00 43.51           H  
+ATOM   4323  HD2 ARG A1159     -16.695  16.297 -18.284  1.00 43.51           H  
+ATOM   4324  HE  ARG A1159     -16.486  16.664 -16.140  1.00 43.50           H  
+ATOM   4325 HH12 ARG A1159     -13.441  19.331 -16.367  1.00 36.88           H  
+ATOM   4326 HH11 ARG A1159     -14.469  19.165 -17.771  1.00 36.88           H  
+ATOM   4327 HH22 ARG A1159     -13.824  18.111 -14.482  1.00 30.01           H  
+ATOM   4328 HH21 ARG A1159     -15.165  17.001 -14.399  1.00 30.01           H  
+ATOM   4329  N   PRO A1160     -22.221  16.392 -18.470  1.00 26.80           N  
+ATOM   4330  CA  PRO A1160     -23.397  15.617 -18.029  1.00 26.98           C  
+ATOM   4331  C   PRO A1160     -23.014  14.521 -17.020  1.00 32.02           C  
+ATOM   4332  O   PRO A1160     -22.022  13.831 -17.238  1.00 31.35           O  
+ATOM   4333  CB  PRO A1160     -23.923  15.012 -19.343  1.00 28.34           C  
+ATOM   4334  CG  PRO A1160     -22.686  14.822 -20.207  1.00 31.76           C  
+ATOM   4335  CD  PRO A1160     -21.819  16.017 -19.828  1.00 27.47           C  
+ATOM   4336  HA  PRO A1160     -24.153  16.271 -17.589  1.00 26.98           H  
+ATOM   4337  HB3 PRO A1160     -24.596  15.724 -19.822  1.00 28.34           H  
+ATOM   4338  HB2 PRO A1160     -24.478  14.083 -19.208  1.00 28.34           H  
+ATOM   4339  HG3 PRO A1160     -22.903  14.769 -21.274  1.00 31.76           H  
+ATOM   4340  HG2 PRO A1160     -22.180  13.897 -19.926  1.00 31.76           H  
+ATOM   4341  HD2 PRO A1160     -20.761  15.764 -19.895  1.00 27.47           H  
+ATOM   4342  HD3 PRO A1160     -22.020  16.858 -20.489  1.00 27.47           H  
+ATOM   4343  N   THR A1161     -23.814  14.345 -15.957  1.00 29.10           N  
+ATOM   4344  CA  THR A1161     -23.652  13.240 -15.002  1.00 28.91           C  
+ATOM   4345  C   THR A1161     -23.861  11.864 -15.675  1.00 29.63           C  
+ATOM   4346  O   THR A1161     -24.483  11.791 -16.736  1.00 26.66           O  
+ATOM   4347  CB  THR A1161     -24.629  13.371 -13.794  1.00 34.86           C  
+ATOM   4348  OG1 THR A1161     -25.931  12.861 -14.023  1.00 34.53           O  
+ATOM   4349  CG2 THR A1161     -24.712  14.783 -13.194  1.00 35.90           C  
+ATOM   4350  H   THR A1161     -24.640  14.917 -15.842  1.00 29.10           H  
+ATOM   4351  HA  THR A1161     -22.629  13.277 -14.622  1.00 28.91           H  
+ATOM   4352  HB  THR A1161     -24.231  12.737 -13.003  1.00 34.86           H  
+ATOM   4353  HG1 THR A1161     -26.500  13.136 -13.300  1.00 34.53           H  
+ATOM   4354 HG21 THR A1161     -25.309  14.789 -12.282  1.00 35.90           H  
+ATOM   4355 HG22 THR A1161     -23.720  15.157 -12.941  1.00 35.90           H  
+ATOM   4356 HG23 THR A1161     -25.167  15.490 -13.887  1.00 35.90           H  
+ATOM   4357  N   PHE A1162     -23.360  10.790 -15.043  1.00 26.26           N  
+ATOM   4358  CA  PHE A1162     -23.567   9.421 -15.523  1.00 25.89           C  
+ATOM   4359  C   PHE A1162     -25.039   8.973 -15.581  1.00 30.07           C  
+ATOM   4360  O   PHE A1162     -25.374   8.179 -16.456  1.00 29.53           O  
+ATOM   4361  CB  PHE A1162     -22.695   8.428 -14.737  1.00 27.11           C  
+ATOM   4362  CG  PHE A1162     -21.246   8.403 -15.177  1.00 25.98           C  
+ATOM   4363  CD1 PHE A1162     -20.908   7.834 -16.419  1.00 26.41           C  
+ATOM   4364  CD2 PHE A1162     -20.244   9.037 -14.422  1.00 27.86           C  
+ATOM   4365  CE1 PHE A1162     -19.588   7.803 -16.839  1.00 26.21           C  
+ATOM   4366  CE2 PHE A1162     -18.927   9.006 -14.859  1.00 29.34           C  
+ATOM   4367  CZ  PHE A1162     -18.598   8.372 -16.051  1.00 25.75           C  
+ATOM   4368  H   PHE A1162     -22.848  10.901 -14.177  1.00 26.26           H  
+ATOM   4369  HA  PHE A1162     -23.227   9.402 -16.560  1.00 25.89           H  
+ATOM   4370  HB3 PHE A1162     -23.071   7.415 -14.876  1.00 27.11           H  
+ATOM   4371  HB2 PHE A1162     -22.752   8.625 -13.665  1.00 27.11           H  
+ATOM   4372  HD1 PHE A1162     -21.686   7.418 -17.035  1.00 26.41           H  
+ATOM   4373  HD2 PHE A1162     -20.500   9.535 -13.501  1.00 27.86           H  
+ATOM   4374  HE1 PHE A1162     -19.337   7.332 -17.777  1.00 26.21           H  
+ATOM   4375  HE2 PHE A1162     -18.155   9.478 -14.274  1.00 29.34           H  
+ATOM   4376  HZ  PHE A1162     -17.571   8.335 -16.375  1.00 25.75           H  
+ATOM   4377  N   GLU A1163     -25.894   9.534 -14.707  1.00 27.87           N  
+ATOM   4378  CA  GLU A1163     -27.346   9.350 -14.739  1.00 28.69           C  
+ATOM   4379  C   GLU A1163     -28.038  10.077 -15.908  1.00 33.26           C  
+ATOM   4380  O   GLU A1163     -29.085   9.602 -16.347  1.00 32.51           O  
+ATOM   4381  CB  GLU A1163     -27.962   9.764 -13.390  1.00 31.37           C  
+ATOM   4382  CG  GLU A1163     -27.490   8.882 -12.211  1.00 44.54           C  
+ATOM   4383  CD  GLU A1163     -28.127   9.201 -10.847  1.00 68.84           C  
+ATOM   4384  OE1 GLU A1163     -28.908  10.174 -10.748  1.00 67.02           O  
+ATOM   4385  OE2 GLU A1163     -27.806   8.447  -9.902  1.00 62.94           O1-
+ATOM   4386  H   GLU A1163     -25.547  10.194 -14.026  1.00 27.87           H  
+ATOM   4387  HA  GLU A1163     -27.542   8.285 -14.875  1.00 28.69           H  
+ATOM   4388  HB3 GLU A1163     -29.050   9.721 -13.462  1.00 31.37           H  
+ATOM   4389  HB2 GLU A1163     -27.714  10.807 -13.186  1.00 31.37           H  
+ATOM   4390  HG3 GLU A1163     -26.408   8.962 -12.102  1.00 44.54           H  
+ATOM   4391  HG2 GLU A1163     -27.698   7.837 -12.445  1.00 44.54           H  
+ATOM   4392  N   ASN A1164     -27.449  11.179 -16.409  1.00 30.86           N  
+ATOM   4393  CA  ASN A1164     -27.908  11.875 -17.620  1.00 30.74           C  
+ATOM   4394  C   ASN A1164     -27.516  11.113 -18.898  1.00 32.00           C  
+ATOM   4395  O   ASN A1164     -28.287  11.126 -19.856  1.00 31.36           O  
+ATOM   4396  CB  ASN A1164     -27.348  13.320 -17.705  1.00 30.05           C  
+ATOM   4397  CG  ASN A1164     -27.652  14.240 -16.517  1.00 41.44           C  
+ATOM   4398  OD1 ASN A1164     -26.817  15.065 -16.152  1.00 30.45           O  
+ATOM   4399  ND2 ASN A1164     -28.841  14.131 -15.920  1.00 30.02           N  
+ATOM   4400  H   ASN A1164     -26.595  11.524 -15.991  1.00 30.86           H  
+ATOM   4401  HA  ASN A1164     -28.998  11.928 -17.609  1.00 30.74           H  
+ATOM   4402  HB3 ASN A1164     -27.742  13.810 -18.597  1.00 30.05           H  
+ATOM   4403  HB2 ASN A1164     -26.267  13.293 -17.837  1.00 30.05           H  
+ATOM   4404 HD22 ASN A1164     -29.069  14.730 -15.140  1.00 30.02           H  
+ATOM   4405 HD21 ASN A1164     -29.517  13.450 -16.236  1.00 30.02           H  
+ATOM   4406  N   LEU A1165     -26.337  10.468 -18.889  1.00 27.37           N  
+ATOM   4407  CA  LEU A1165     -25.768   9.744 -20.027  1.00 26.17           C  
+ATOM   4408  C   LEU A1165     -26.479   8.418 -20.351  1.00 30.32           C  
+ATOM   4409  O   LEU A1165     -26.493   8.045 -21.521  1.00 29.57           O  
+ATOM   4410  CB  LEU A1165     -24.263   9.504 -19.775  1.00 24.98           C  
+ATOM   4411  CG  LEU A1165     -23.389  10.772 -19.906  1.00 27.47           C  
+ATOM   4412  CD1 LEU A1165     -21.997  10.566 -19.268  1.00 26.17           C  
+ATOM   4413  CD2 LEU A1165     -23.311  11.258 -21.373  1.00 28.90           C  
+ATOM   4414  H   LEU A1165     -25.757  10.519 -18.062  1.00 27.37           H  
+ATOM   4415  HA  LEU A1165     -25.881  10.377 -20.909  1.00 26.17           H  
+ATOM   4416  HB3 LEU A1165     -23.878   8.755 -20.467  1.00 24.98           H  
+ATOM   4417  HB2 LEU A1165     -24.142   9.070 -18.782  1.00 24.98           H  
+ATOM   4418  HG  LEU A1165     -23.869  11.566 -19.334  1.00 27.47           H  
+ATOM   4419 HD11 LEU A1165     -21.177  10.767 -19.956  1.00 26.17           H  
+ATOM   4420 HD12 LEU A1165     -21.865  11.231 -18.414  1.00 26.17           H  
+ATOM   4421 HD13 LEU A1165     -21.858   9.548 -18.902  1.00 26.17           H  
+ATOM   4422 HD21 LEU A1165     -22.290  11.333 -21.743  1.00 28.90           H  
+ATOM   4423 HD22 LEU A1165     -23.836  10.591 -22.057  1.00 28.90           H  
+ATOM   4424 HD23 LEU A1165     -23.764  12.244 -21.476  1.00 28.90           H  
+ATOM   4425  N   ILE A1166     -27.052   7.739 -19.342  1.00 27.97           N  
+ATOM   4426  CA  ILE A1166     -27.752   6.454 -19.486  1.00 28.85           C  
+ATOM   4427  C   ILE A1166     -28.955   6.469 -20.465  1.00 33.75           C  
+ATOM   4428  O   ILE A1166     -28.913   5.685 -21.413  1.00 32.47           O  
+ATOM   4429  CB  ILE A1166     -28.157   5.861 -18.100  1.00 32.86           C  
+ATOM   4430  CG1 ILE A1166     -26.903   5.393 -17.337  1.00 32.40           C  
+ATOM   4431  CG2 ILE A1166     -29.187   4.708 -18.134  1.00 34.79           C  
+ATOM   4432  CD1 ILE A1166     -27.110   5.273 -15.822  1.00 41.27           C  
+ATOM   4433  H   ILE A1166     -26.987   8.106 -18.402  1.00 27.97           H  
+ATOM   4434  HA  ILE A1166     -27.019   5.770 -19.919  1.00 28.85           H  
+ATOM   4435  HB  ILE A1166     -28.593   6.670 -17.515  1.00 32.86           H  
+ATOM   4436 HG13 ILE A1166     -26.074   6.072 -17.516  1.00 32.40           H  
+ATOM   4437 HG12 ILE A1166     -26.563   4.442 -17.740  1.00 32.40           H  
+ATOM   4438 HG21 ILE A1166     -29.378   4.317 -17.135  1.00 34.79           H  
+ATOM   4439 HG22 ILE A1166     -30.154   5.020 -18.527  1.00 34.79           H  
+ATOM   4440 HG23 ILE A1166     -28.822   3.881 -18.743  1.00 34.79           H  
+ATOM   4441 HD11 ILE A1166     -26.159   5.378 -15.306  1.00 41.27           H  
+ATOM   4442 HD12 ILE A1166     -27.777   6.044 -15.439  1.00 41.27           H  
+ATOM   4443 HD13 ILE A1166     -27.529   4.306 -15.548  1.00 41.27           H  
+ATOM   4444  N   PRO A1167     -29.977   7.345 -20.278  1.00 32.13           N  
+ATOM   4445  CA  PRO A1167     -31.120   7.422 -21.211  1.00 32.58           C  
+ATOM   4446  C   PRO A1167     -30.770   7.948 -22.617  1.00 34.66           C  
+ATOM   4447  O   PRO A1167     -31.437   7.557 -23.575  1.00 34.80           O  
+ATOM   4448  CB  PRO A1167     -32.132   8.328 -20.492  1.00 35.43           C  
+ATOM   4449  CG  PRO A1167     -31.283   9.200 -19.584  1.00 39.58           C  
+ATOM   4450  CD  PRO A1167     -30.181   8.247 -19.143  1.00 34.49           C  
+ATOM   4451  HA  PRO A1167     -31.559   6.430 -21.330  1.00 32.58           H  
+ATOM   4452  HB3 PRO A1167     -32.801   7.713 -19.887  1.00 35.43           H  
+ATOM   4453  HB2 PRO A1167     -32.756   8.917 -21.167  1.00 35.43           H  
+ATOM   4454  HG3 PRO A1167     -31.837   9.635 -18.752  1.00 39.58           H  
+ATOM   4455  HG2 PRO A1167     -30.851  10.017 -20.164  1.00 39.58           H  
+ATOM   4456  HD2 PRO A1167     -29.294   8.802 -18.851  1.00 34.49           H  
+ATOM   4457  HD3 PRO A1167     -30.518   7.664 -18.286  1.00 34.49           H  
+ATOM   4458  N   ILE A1168     -29.721   8.784 -22.721  1.00 31.51           N  
+ATOM   4459  CA  ILE A1168     -29.197   9.291 -23.990  1.00 32.13           C  
+ATOM   4460  C   ILE A1168     -28.511   8.173 -24.804  1.00 34.20           C  
+ATOM   4461  O   ILE A1168     -28.800   8.046 -25.991  1.00 33.26           O  
+ATOM   4462  CB  ILE A1168     -28.206  10.479 -23.784  1.00 35.61           C  
+ATOM   4463  CG1 ILE A1168     -28.912  11.681 -23.112  1.00 36.57           C  
+ATOM   4464  CG2 ILE A1168     -27.513  10.947 -25.085  1.00 37.22           C  
+ATOM   4465  CD1 ILE A1168     -27.951  12.768 -22.603  1.00 41.21           C  
+ATOM   4466  H   ILE A1168     -29.223   9.068 -21.889  1.00 31.51           H  
+ATOM   4467  HA  ILE A1168     -30.042   9.657 -24.577  1.00 32.13           H  
+ATOM   4468  HB  ILE A1168     -27.424  10.141 -23.102  1.00 35.61           H  
+ATOM   4469 HG13 ILE A1168     -29.516  11.348 -22.268  1.00 36.57           H  
+ATOM   4470 HG12 ILE A1168     -29.617  12.126 -23.815  1.00 36.57           H  
+ATOM   4471 HG21 ILE A1168     -26.866  11.805 -24.906  1.00 37.22           H  
+ATOM   4472 HG22 ILE A1168     -26.882  10.174 -25.523  1.00 37.22           H  
+ATOM   4473 HG23 ILE A1168     -28.246  11.241 -25.836  1.00 37.22           H  
+ATOM   4474 HD11 ILE A1168     -28.388  13.310 -21.764  1.00 41.21           H  
+ATOM   4475 HD12 ILE A1168     -27.006  12.345 -22.261  1.00 41.21           H  
+ATOM   4476 HD13 ILE A1168     -27.730  13.496 -23.383  1.00 41.21           H  
+ATOM   4477  N   LEU A1169     -27.657   7.367 -24.148  1.00 29.74           N  
+ATOM   4478  CA  LEU A1169     -26.953   6.231 -24.752  1.00 29.80           C  
+ATOM   4479  C   LEU A1169     -27.868   5.035 -25.075  1.00 35.11           C  
+ATOM   4480  O   LEU A1169     -27.541   4.291 -25.998  1.00 36.14           O  
+ATOM   4481  CB  LEU A1169     -25.764   5.817 -23.863  1.00 29.09           C  
+ATOM   4482  CG  LEU A1169     -24.570   6.797 -23.947  1.00 32.75           C  
+ATOM   4483  CD1 LEU A1169     -23.576   6.567 -22.797  1.00 32.66           C  
+ATOM   4484  CD2 LEU A1169     -23.872   6.754 -25.325  1.00 36.03           C  
+ATOM   4485  H   LEU A1169     -27.459   7.539 -23.171  1.00 29.74           H  
+ATOM   4486  HA  LEU A1169     -26.553   6.569 -25.706  1.00 29.80           H  
+ATOM   4487  HB3 LEU A1169     -25.403   4.828 -24.147  1.00 29.09           H  
+ATOM   4488  HB2 LEU A1169     -26.113   5.716 -22.834  1.00 29.09           H  
+ATOM   4489  HG  LEU A1169     -24.962   7.806 -23.809  1.00 32.75           H  
+ATOM   4490 HD11 LEU A1169     -23.204   7.517 -22.414  1.00 32.66           H  
+ATOM   4491 HD12 LEU A1169     -24.032   6.040 -21.959  1.00 32.66           H  
+ATOM   4492 HD13 LEU A1169     -22.715   5.980 -23.111  1.00 32.66           H  
+ATOM   4493 HD21 LEU A1169     -22.786   6.700 -25.243  1.00 36.03           H  
+ATOM   4494 HD22 LEU A1169     -24.191   5.896 -25.919  1.00 36.03           H  
+ATOM   4495 HD23 LEU A1169     -24.104   7.649 -25.902  1.00 36.03           H  
+ATOM   4496  N   LYS A1170     -29.006   4.898 -24.370  1.00 32.29           N  
+ATOM   4497  CA  LYS A1170     -30.090   3.969 -24.711  1.00 33.11           C  
+ATOM   4498  C   LYS A1170     -30.806   4.351 -26.018  1.00 37.39           C  
+ATOM   4499  O   LYS A1170     -31.069   3.467 -26.832  1.00 37.67           O  
+ATOM   4500  CB  LYS A1170     -31.093   3.872 -23.540  1.00 37.22           C  
+ATOM   4501  CG  LYS A1170     -30.590   2.975 -22.401  1.00 43.25           C  
+ATOM   4502  CD  LYS A1170     -31.470   2.998 -21.144  1.00 49.41           C  
+ATOM   4503  CE  LYS A1170     -30.974   1.985 -20.097  1.00 57.38           C  
+ATOM   4504  NZ  LYS A1170     -31.740   2.055 -18.841  1.00 64.71           N1+
+ATOM   4505  H   LYS A1170     -29.184   5.523 -23.595  1.00 32.29           H  
+ATOM   4506  HA  LYS A1170     -29.644   2.984 -24.863  1.00 33.11           H  
+ATOM   4507  HB3 LYS A1170     -32.034   3.447 -23.892  1.00 37.22           H  
+ATOM   4508  HB2 LYS A1170     -31.334   4.868 -23.169  1.00 37.22           H  
+ATOM   4509  HG3 LYS A1170     -29.577   3.265 -22.127  1.00 43.25           H  
+ATOM   4510  HG2 LYS A1170     -30.528   1.952 -22.771  1.00 43.25           H  
+ATOM   4511  HD3 LYS A1170     -32.504   2.781 -21.417  1.00 49.41           H  
+ATOM   4512  HD2 LYS A1170     -31.462   4.005 -20.723  1.00 49.41           H  
+ATOM   4513  HE3 LYS A1170     -29.922   2.162 -19.870  1.00 57.38           H  
+ATOM   4514  HE2 LYS A1170     -31.042   0.971 -20.491  1.00 57.38           H  
+ATOM   4515  HZ1 LYS A1170     -32.711   1.842 -19.019  1.00 64.71           H  
+ATOM   4516  HZ2 LYS A1170     -31.359   1.382 -18.189  1.00 64.71           H  
+ATOM   4517  HZ3 LYS A1170     -31.661   2.981 -18.446  1.00 64.71           H  
+ATOM   4518  N   THR A1171     -31.080   5.655 -26.201  1.00 34.80           N  
+ATOM   4519  CA  THR A1171     -31.719   6.212 -27.397  1.00 35.33           C  
+ATOM   4520  C   THR A1171     -30.788   6.195 -28.628  1.00 39.05           C  
+ATOM   4521  O   THR A1171     -31.253   5.919 -29.734  1.00 39.67           O  
+ATOM   4522  CB  THR A1171     -32.191   7.672 -27.151  1.00 44.81           C  
+ATOM   4523  OG1 THR A1171     -33.101   7.689 -26.068  1.00 44.59           O  
+ATOM   4524  CG2 THR A1171     -32.883   8.357 -28.345  1.00 42.98           C  
+ATOM   4525  H   THR A1171     -30.820   6.319 -25.485  1.00 34.80           H  
+ATOM   4526  HA  THR A1171     -32.595   5.603 -27.627  1.00 35.33           H  
+ATOM   4527  HB  THR A1171     -31.339   8.285 -26.854  1.00 44.81           H  
+ATOM   4528  HG1 THR A1171     -32.626   7.474 -25.260  1.00 44.59           H  
+ATOM   4529 HG21 THR A1171     -33.280   9.332 -28.059  1.00 42.98           H  
+ATOM   4530 HG22 THR A1171     -32.195   8.528 -29.174  1.00 42.98           H  
+ATOM   4531 HG23 THR A1171     -33.714   7.757 -28.717  1.00 42.98           H  
+ATOM   4532  N   VAL A1172     -29.488   6.450 -28.405  1.00 34.64           N  
+ATOM   4533  CA  VAL A1172     -28.428   6.379 -29.411  1.00 35.04           C  
+ATOM   4534  C   VAL A1172     -28.131   4.928 -29.852  1.00 37.21           C  
+ATOM   4535  O   VAL A1172     -27.946   4.703 -31.046  1.00 35.63           O  
+ATOM   4536  CB  VAL A1172     -27.143   7.095 -28.894  1.00 39.11           C  
+ATOM   4537  CG1 VAL A1172     -25.816   6.711 -29.572  1.00 39.01           C  
+ATOM   4538  CG2 VAL A1172     -27.317   8.624 -28.944  1.00 39.06           C  
+ATOM   4539  H   VAL A1172     -29.190   6.697 -27.470  1.00 34.64           H  
+ATOM   4540  HA  VAL A1172     -28.779   6.913 -30.296  1.00 35.04           H  
+ATOM   4541  HB  VAL A1172     -27.028   6.831 -27.845  1.00 39.11           H  
+ATOM   4542 HG11 VAL A1172     -24.998   7.328 -29.201  1.00 39.01           H  
+ATOM   4543 HG12 VAL A1172     -25.545   5.679 -29.353  1.00 39.01           H  
+ATOM   4544 HG13 VAL A1172     -25.866   6.836 -30.653  1.00 39.01           H  
+ATOM   4545 HG21 VAL A1172     -26.471   9.134 -28.481  1.00 39.06           H  
+ATOM   4546 HG22 VAL A1172     -27.395   8.979 -29.973  1.00 39.06           H  
+ATOM   4547 HG23 VAL A1172     -28.216   8.947 -28.419  1.00 39.06           H  
+ATOM   4548  N   HIS A1173     -28.162   3.964 -28.912  1.00 33.86           N  
+ATOM   4549  CA  HIS A1173     -28.085   2.526 -29.202  1.00 34.98           C  
+ATOM   4550  C   HIS A1173     -29.269   2.038 -30.064  1.00 39.49           C  
+ATOM   4551  O   HIS A1173     -29.039   1.312 -31.030  1.00 38.50           O  
+ATOM   4552  CB  HIS A1173     -27.958   1.728 -27.884  1.00 35.81           C  
+ATOM   4553  CG  HIS A1173     -28.057   0.227 -28.027  1.00 39.76           C  
+ATOM   4554  ND1 HIS A1173     -27.140  -0.524 -28.739  1.00 41.19           N  
+ATOM   4555  CD2 HIS A1173     -28.997  -0.673 -27.574  1.00 42.70           C  
+ATOM   4556  CE1 HIS A1173     -27.550  -1.794 -28.700  1.00 41.61           C  
+ATOM   4557  NE2 HIS A1173     -28.672  -1.960 -28.011  1.00 43.01           N  
+ATOM   4558  H   HIS A1173     -28.301   4.214 -27.942  1.00 33.86           H  
+ATOM   4559  HA  HIS A1173     -27.175   2.355 -29.781  1.00 34.98           H  
+ATOM   4560  HB3 HIS A1173     -28.731   2.043 -27.182  1.00 35.81           H  
+ATOM   4561  HB2 HIS A1173     -27.004   1.956 -27.407  1.00 35.81           H  
+ATOM   4562  HD1 HIS A1173     -26.297  -0.188 -29.189  1.00 41.19           H  
+ATOM   4563  HD2 HIS A1173     -29.883  -0.493 -26.984  1.00 42.70           H  
+ATOM   4564  HE1 HIS A1173     -27.015  -2.605 -29.172  1.00 41.61           H  
+ATOM   4565  N   GLU A1174     -30.492   2.486 -29.721  1.00 37.68           N  
+ATOM   4566  CA  GLU A1174     -31.734   2.245 -30.465  1.00 39.70           C  
+ATOM   4567  C   GLU A1174     -31.714   2.755 -31.917  1.00 42.94           C  
+ATOM   4568  O   GLU A1174     -32.288   2.096 -32.783  1.00 44.72           O  
+ATOM   4569  CB  GLU A1174     -32.928   2.853 -29.690  1.00 42.32           C  
+ATOM   4570  CG  GLU A1174     -33.590   1.874 -28.695  1.00 60.01           C  
+ATOM   4571  CD  GLU A1174     -34.476   0.787 -29.333  1.00 92.87           C  
+ATOM   4572  OE1 GLU A1174     -34.823   0.901 -30.531  1.00 94.43           O  
+ATOM   4573  OE2 GLU A1174     -34.787  -0.181 -28.607  1.00 90.73           O1-
+ATOM   4574  H   GLU A1174     -30.587   3.064 -28.897  1.00 37.68           H  
+ATOM   4575  HA  GLU A1174     -31.865   1.164 -30.520  1.00 39.70           H  
+ATOM   4576  HB3 GLU A1174     -33.678   3.270 -30.365  1.00 42.32           H  
+ATOM   4577  HB2 GLU A1174     -32.584   3.713 -29.118  1.00 42.32           H  
+ATOM   4578  HG3 GLU A1174     -34.218   2.444 -28.008  1.00 60.01           H  
+ATOM   4579  HG2 GLU A1174     -32.821   1.404 -28.079  1.00 60.01           H  
+ATOM   4580  N   LYS A1175     -31.049   3.898 -32.157  1.00 37.93           N  
+ATOM   4581  CA  LYS A1175     -30.916   4.516 -33.475  1.00 37.53           C  
+ATOM   4582  C   LYS A1175     -30.057   3.689 -34.451  1.00 41.18           C  
+ATOM   4583  O   LYS A1175     -30.457   3.538 -35.605  1.00 39.68           O  
+ATOM   4584  CB  LYS A1175     -30.394   5.962 -33.306  1.00 38.66           C  
+ATOM   4585  CG  LYS A1175     -30.164   6.728 -34.623  1.00 48.52           C  
+ATOM   4586  CD  LYS A1175     -29.752   8.193 -34.396  1.00 57.93           C  
+ATOM   4587  CE  LYS A1175     -29.430   8.957 -35.694  1.00 71.38           C  
+ATOM   4588  NZ  LYS A1175     -30.616   9.158 -36.546  1.00 86.87           N1+
+ATOM   4589  H   LYS A1175     -30.614   4.388 -31.387  1.00 37.93           H  
+ATOM   4590  HA  LYS A1175     -31.919   4.581 -33.901  1.00 37.53           H  
+ATOM   4591  HB3 LYS A1175     -29.457   5.952 -32.748  1.00 38.66           H  
+ATOM   4592  HB2 LYS A1175     -31.102   6.518 -32.690  1.00 38.66           H  
+ATOM   4593  HG3 LYS A1175     -31.073   6.679 -35.224  1.00 48.52           H  
+ATOM   4594  HG2 LYS A1175     -29.381   6.240 -35.205  1.00 48.52           H  
+ATOM   4595  HD3 LYS A1175     -28.873   8.216 -33.751  1.00 57.93           H  
+ATOM   4596  HD2 LYS A1175     -30.535   8.714 -33.842  1.00 57.93           H  
+ATOM   4597  HE3 LYS A1175     -28.670   8.427 -36.268  1.00 71.38           H  
+ATOM   4598  HE2 LYS A1175     -29.017   9.937 -35.450  1.00 71.38           H  
+ATOM   4599  HZ1 LYS A1175     -31.314   9.681 -36.036  1.00 86.87           H  
+ATOM   4600  HZ2 LYS A1175     -30.354   9.669 -37.377  1.00 86.87           H  
+ATOM   4601  HZ3 LYS A1175     -30.995   8.259 -36.810  1.00 86.87           H  
+ATOM   4602  N   TYR A1176     -28.899   3.197 -33.979  1.00 37.88           N  
+ATOM   4603  CA  TYR A1176     -27.885   2.563 -34.828  1.00 38.84           C  
+ATOM   4604  C   TYR A1176     -27.953   1.027 -34.871  1.00 43.27           C  
+ATOM   4605  O   TYR A1176     -27.270   0.452 -35.720  1.00 45.60           O  
+ATOM   4606  CB  TYR A1176     -26.485   3.078 -34.423  1.00 39.66           C  
+ATOM   4607  CG  TYR A1176     -26.296   4.566 -34.678  1.00 42.14           C  
+ATOM   4608  CD1 TYR A1176     -26.318   5.066 -35.998  1.00 44.87           C  
+ATOM   4609  CD2 TYR A1176     -26.135   5.463 -33.603  1.00 42.46           C  
+ATOM   4610  CE1 TYR A1176     -26.218   6.451 -36.234  1.00 44.19           C  
+ATOM   4611  CE2 TYR A1176     -26.041   6.848 -33.836  1.00 43.50           C  
+ATOM   4612  CZ  TYR A1176     -26.095   7.343 -35.152  1.00 49.64           C  
+ATOM   4613  OH  TYR A1176     -26.038   8.687 -35.378  1.00 54.89           O  
+ATOM   4614  H   TYR A1176     -28.644   3.357 -33.015  1.00 37.88           H  
+ATOM   4615  HA  TYR A1176     -28.048   2.875 -35.861  1.00 38.84           H  
+ATOM   4616  HB3 TYR A1176     -25.711   2.557 -34.990  1.00 39.66           H  
+ATOM   4617  HB2 TYR A1176     -26.289   2.852 -33.373  1.00 39.66           H  
+ATOM   4618  HD1 TYR A1176     -26.433   4.390 -36.832  1.00 44.87           H  
+ATOM   4619  HD2 TYR A1176     -26.099   5.095 -32.593  1.00 42.46           H  
+ATOM   4620  HE1 TYR A1176     -26.253   6.827 -37.246  1.00 44.19           H  
+ATOM   4621  HE2 TYR A1176     -25.937   7.526 -33.001  1.00 43.50           H  
+ATOM   4622  HH  TYR A1176     -25.948   9.201 -34.572  1.00 54.89           H  
+ATOM   4623  N   ARG A1177     -28.762   0.377 -34.010  1.00 37.76           N  
+ATOM   4624  CA  ARG A1177     -28.970  -1.079 -34.048  1.00 53.07           C  
+ATOM   4625  C   ARG A1177     -29.859  -1.518 -35.231  1.00 74.57           C  
+ATOM   4626  O   ARG A1177     -30.571  -0.696 -35.809  1.00 46.90           O  
+ATOM   4627  CB  ARG A1177     -29.511  -1.584 -32.688  1.00 52.87           C  
+ATOM   4628  CG  ARG A1177     -30.992  -1.278 -32.399  1.00 64.39           C  
+ATOM   4629  CD  ARG A1177     -31.506  -1.984 -31.134  1.00 74.69           C  
+ATOM   4630  NE  ARG A1177     -32.971  -1.892 -31.019  1.00 82.78           N  
+ATOM   4631  CZ  ARG A1177     -33.898  -2.624 -31.666  1.00 98.29           C  
+ATOM   4632  NH1 ARG A1177     -33.573  -3.609 -32.517  1.00 84.15           N  
+ATOM   4633  NH2 ARG A1177     -35.190  -2.348 -31.453  1.00 87.75           N1+
+ATOM   4634  H   ARG A1177     -29.298   0.897 -33.330  1.00 37.76           H  
+ATOM   4635  HA  ARG A1177     -27.992  -1.543 -34.191  1.00 53.07           H  
+ATOM   4636  HB3 ARG A1177     -28.890  -1.210 -31.874  1.00 52.87           H  
+ATOM   4637  HB2 ARG A1177     -29.385  -2.667 -32.665  1.00 52.87           H  
+ATOM   4638  HG3 ARG A1177     -31.654  -1.468 -33.244  1.00 64.39           H  
+ATOM   4639  HG2 ARG A1177     -31.036  -0.203 -32.231  1.00 64.39           H  
+ATOM   4640  HD3 ARG A1177     -31.144  -1.423 -30.271  1.00 74.69           H  
+ATOM   4641  HD2 ARG A1177     -31.122  -2.997 -31.017  1.00 74.69           H  
+ATOM   4642  HE  ARG A1177     -33.313  -1.142 -30.430  1.00 82.78           H  
+ATOM   4643 HH12 ARG A1177     -34.291  -4.134 -32.995  1.00 84.15           H  
+ATOM   4644 HH11 ARG A1177     -32.602  -3.818 -32.693  1.00 84.15           H  
+ATOM   4645 HH22 ARG A1177     -35.920  -2.866 -31.920  1.00 87.75           H  
+ATOM   4646 HH21 ARG A1177     -35.440  -1.582 -30.838  1.00 87.75           H  
+HETATM 4647  N   NME A1178     -29.823  -2.825 -35.529  1.00  0.00           N  
+HETATM 4648  C   NME A1178     -30.631  -3.440 -36.574  1.00  0.00           C  
+HETATM 4649  H   NME A1178     -29.221  -3.437 -34.999  1.00  0.00           H  
+HETATM 4650  H1  NME A1178     -30.866  -2.747 -37.383  1.00  0.00           H  
+HETATM 4651  H2  NME A1178     -30.094  -4.284 -37.007  1.00  0.00           H  
+HETATM 4652  H3  NME A1178     -31.567  -3.811 -36.156  1.00  0.00           H  
+TER    4653      NME A1178 
+HETATM 4654  O   HOH A1318      -4.518  -0.052 -15.607  1.00 36.69           O  
+HETATM 4655  H1  HOH A1318      -5.515  -0.144 -15.528  1.00 36.69           H  
+HETATM 4656  H2  HOH A1318      -4.107  -0.409 -14.766  1.00 36.69           H  
+HETATM 4657  O   HOH A1325      -7.204  -8.554 -20.752  1.00 38.47           O  
+HETATM 4658  H1  HOH A1325      -7.019  -9.479 -20.412  1.00 38.47           H  
+HETATM 4659  H2  HOH A1325      -6.471  -8.283 -21.383  1.00 38.47           H  
+CONECT 4654 4655 4656
+CONECT 4655 4654
+CONECT 4656 4654
+CONECT 4657 4658 4659
+CONECT 4658 4657
+CONECT 4659 4657
+END   
diff --git a/examples/protein-ligand/cli/Tyk2_ligands_shifted.sdf b/examples/protein-ligand/cli/Tyk2_ligands_shifted.sdf
deleted file mode 100644
index c58f5466b..000000000
--- a/examples/protein-ligand/cli/Tyk2_ligands_shifted.sdf
+++ /dev/null
@@ -1,1356 +0,0 @@
-ejm_31
-  PyMOL2.3          3D                             0
-
- 32 33  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3078   40.7888   25.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   31.2733   40.8508   24.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.9512   41.2320   24.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4470   41.4067   26.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 23  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 24  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 21  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 25  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 26  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 27  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 28  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 29  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 30  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 20  1  0  0  0  0
- 20 22  1  0  0  0  0
- 20 31  1  0  0  0  0
- 20 32  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--9.540000
-
-$$$$
-jmc_30
-  PyMOL2.3          3D                             0
-
- 37 39  0  0  1  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3078   40.7888   25.1399 C   0  0  1  0  0  0  0  0  0  0  0  0
-   32.8430   41.9489   25.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.2954   41.7808   24.5339 C   0  0  1  0  0  0  0  0  0  0  0  0
-   34.6923   41.2906   24.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   31.2733   40.8508   24.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.9140   42.4995   23.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0115   42.5728   26.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.3678   41.5533   26.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
-   36.0623   40.8098   24.0561 N   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 27  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 28  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 24  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 29  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 30  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 31  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 32  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 33  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 34  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 20  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  1  0  0  0  0
- 20 25  1  0  0  0  0
- 21 22  1  0  0  0  0
- 21 35  1  0  0  0  0
- 21 36  1  0  0  0  0
- 22 23  1  0  0  0  0
- 22 26  1  0  0  0  0
- 23 37  3  0  0  0  0
-M  END
->  <r_user_dG.exp>
--10.940000
-
-$$$$
-ejm_50
-  PyMOL2.3          3D                             0
-
- 33 34  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3078   40.7888   25.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   31.9373   40.9278   24.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.5304   41.0672   25.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0996   42.7638   25.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.4363   41.7985   25.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 23  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 24  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 21  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 25  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 26  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 27  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 28  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 29  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 30  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 20  1  0  0  0  0
- 20 22  1  0  0  0  0
- 20 31  1  0  0  0  0
- 20 33  1  0  0  0  0
- 32 33  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--8.980000
-
-$$$$
-ejm_46
-  PyMOL2.3          3D                             0
-
- 36 38  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3078   40.7888   25.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8430   41.9489   25.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.2954   41.7808   24.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.3105   41.4246   24.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   31.2733   40.8508   24.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.9140   42.4995   23.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0115   42.5728   26.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.3678   41.5533   26.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 27  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 28  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 24  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 29  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 30  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 31  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 32  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 33  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 34  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 20  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  1  0  0  0  0
- 20 25  1  0  0  0  0
- 21 22  1  0  0  0  0
- 21 35  1  0  0  0  0
- 21 36  1  0  0  0  0
- 22 23  1  0  0  0  0
- 22 26  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--11.310000
-
-$$$$
-ejm_55
-  PyMOL2.3          3D                             0
-
- 33 34  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.3414   41.8453   25.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0228   42.7683   24.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.4532   42.0170   26.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2901   40.7888   25.1345 O   0  0  0  0  0  0  0  0  0  0  0  0
-   34.2906   41.5153   24.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 21  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 22  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 23  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 24  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 25  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 26  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 27  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 28  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 32  1  0  0  0  0
- 29 30  1  0  0  0  0
- 29 31  1  0  0  0  0
- 29 32  1  0  0  0  0
- 29 33  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--9.210000
-
-$$$$
-ejm_43
-  PyMOL2.3          3D                             0
-
- 38 39  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3078   40.7888   25.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   31.7958   40.9809   23.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.4332   41.7475   25.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.5304   41.0672   25.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0996   42.7638   25.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7444   41.6758   26.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.2744   41.5007   24.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4806   42.0158   23.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5870   40.7482   23.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
-   30.9473   40.3184   23.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 23  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 24  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 21  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 25  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 26  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 27  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 28  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 29  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 30  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 20  1  0  0  0  0
- 20 22  1  0  0  0  0
- 20 31  1  0  0  0  0
- 20 32  1  0  0  0  0
- 22 36  1  0  0  0  0
- 22 37  1  0  0  0  0
- 22 38  1  0  0  0  0
- 31 33  1  0  0  0  0
- 31 34  1  0  0  0  0
- 31 35  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--8.260000
-
-$$$$
-jmc_28
-  PyMOL2.3          3D                             0
-
- 39 41  0  0  1  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3078   40.7888   25.1399 C   0  0  1  0  0  0  0  0  0  0  0  0
-   32.8430   41.9489   25.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.2954   41.7808   24.5339 C   0  0  1  0  0  0  0  0  0  0  0  0
-   34.6923   41.2906   24.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   31.2733   40.8508   24.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.9140   42.4995   23.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0115   42.5728   26.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.3678   41.5533   26.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.2900   42.0931   23.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.1360   40.9766   25.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.6677   40.4455   23.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 27  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 28  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 24  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 29  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 30  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 31  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 32  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 33  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 34  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 20  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  1  0  0  0  0
- 20 25  1  0  0  0  0
- 21 22  1  0  0  0  0
- 21 35  1  0  0  0  0
- 21 36  1  0  0  0  0
- 22 23  1  0  0  0  0
- 22 26  1  0  0  0  0
- 23 37  1  0  0  0  0
- 23 38  1  0  0  0  0
- 23 39  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--10.980000
-
-$$$$
-ejm_49
-  PyMOL2.3          3D                             0
-
- 39 41  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.6099   43.4853   24.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.5444   42.5267   23.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.9210   41.1980   23.8719 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3631   40.8280   25.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4286   41.7865   26.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0520   43.1152   25.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.3140   44.5290   24.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.1970   42.8174   22.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8694   40.4450   23.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7759   41.4958   27.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.1035   43.8682   26.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 21  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 22  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 23  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 24  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 25  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 26  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 27  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 28  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 32  1  0  0  0  0
- 29 30  2  0  0  0  0
- 29 34  1  0  0  0  0
- 29 35  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 36  1  0  0  0  0
- 31 32  2  0  0  0  0
- 31 37  1  0  0  0  0
- 32 33  1  0  0  0  0
- 33 34  2  0  0  0  0
- 33 38  1  0  0  0  0
- 34 39  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--7.750000
-
-$$$$
-ejm_45
-  PyMOL2.3          3D                             0
-
- 39 41  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3078   40.7888   25.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   31.9373   40.9278   24.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.5304   41.0672   25.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0996   42.7638   25.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.3797   41.7497   25.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.3394   41.4606   26.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.7880   41.3125   25.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.7340   42.3495   27.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1658   40.5108   27.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.4735   42.1053   24.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.9053   40.2666   24.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 23  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 24  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 21  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 25  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 26  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 27  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 28  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 29  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 30  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 20  1  0  0  0  0
- 20 22  1  0  0  0  0
- 20 31  1  0  0  0  0
- 20 33  1  0  0  0  0
- 32 33  1  0  0  0  0
- 33 34  1  0  0  0  0
- 33 35  1  0  0  0  0
- 34 35  1  0  0  0  0
- 34 36  1  0  0  0  0
- 34 37  1  0  0  0  0
- 35 38  1  0  0  0  0
- 35 39  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--9.560000
-
-$$$$
-ejm_44
-  PyMOL2.3          3D                             0
-
- 41 42  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3078   40.7888   25.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   31.7958   40.9809   23.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.4332   41.7475   25.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2380   41.1720   26.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0996   42.7638   25.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7444   41.6758   26.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.2744   41.5007   24.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4806   42.0158   23.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5870   40.7482   23.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
-   30.9473   40.3184   23.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
-   30.9007   42.1872   25.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
-   30.3973   40.4842   26.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.6375   41.1234   27.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 23  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 24  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 21  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 25  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 26  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 27  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 28  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 29  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 30  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 20  1  0  0  0  0
- 20 22  1  0  0  0  0
- 20 31  1  0  0  0  0
- 20 32  1  0  0  0  0
- 22 36  1  0  0  0  0
- 22 37  1  0  0  0  0
- 22 38  1  0  0  0  0
- 31 33  1  0  0  0  0
- 31 34  1  0  0  0  0
- 31 35  1  0  0  0  0
- 32 39  1  0  0  0  0
- 32 40  1  0  0  0  0
- 32 41  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--7.420000
-
-$$$$
-jmc_27
-  PyMOL2.3          3D                             0
-
- 36 38  0  0  1  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3078   40.7888   25.1399 C   0  0  1  0  0  0  0  0  0  0  0  0
-   32.8430   41.9489   25.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.2954   41.7808   24.5339 C   0  0  1  0  0  0  0  0  0  0  0  0
-   34.9671   41.1942   24.2453 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   31.2733   40.8508   24.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.9140   42.4995   23.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0115   42.5728   26.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.3678   41.5533   26.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 27  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 28  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 24  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 29  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 30  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 31  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 32  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 33  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 34  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 20  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  1  0  0  0  0
- 20 25  1  0  0  0  0
- 21 22  1  0  0  0  0
- 21 35  1  0  0  0  0
- 21 36  1  0  0  0  0
- 22 23  1  0  0  0  0
- 22 26  1  0  0  0  0
-M  END
->  <i_m_stars>
-2
-
->  <r_user_dG.exp>
--11.280000
-
-$$$$
-ejm_48
-  PyMOL2.3          3D                             0
-
- 42 44  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2950   40.8778   24.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3631   40.8280   25.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5693   41.6612   26.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9898   42.2105   26.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.0500   42.5765   24.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.3066   41.4292   24.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4293   41.0696   27.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8449   42.5118   26.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1914   43.0801   26.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.7334   41.4079   26.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5025   43.5365   24.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.0955   42.7082   24.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.0377   40.6567   23.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7554   41.7906   23.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 21  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 22  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 23  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 24  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 25  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 26  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 27  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 28  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 30  1  0  0  0  0
- 29 30  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 34  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 35  1  0  0  0  0
- 31 36  1  0  0  0  0
- 32 33  1  0  0  0  0
- 32 37  1  0  0  0  0
- 32 38  1  0  0  0  0
- 33 34  1  0  0  0  0
- 33 39  1  0  0  0  0
- 33 40  1  0  0  0  0
- 34 41  1  0  0  0  0
- 34 42  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--9
-
-$$$$
-ejm_47
-  PyMOL2.3          3D                             0
-
- 39 41  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3321   40.7978   25.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.6998   41.7628   26.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9853   42.0983   25.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.3216   41.5475   24.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0014   42.6326   26.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8590   41.2792   27.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.2364   43.1851   25.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.8524   41.4766   25.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8273   42.3470   23.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9757   40.8926   23.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2950   40.8778   24.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 21  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 22  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 23  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 24  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 25  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 26  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 27  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 28  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 29  1  0  0  0  0
- 29 30  1  0  0  0  0
- 29 32  1  0  0  0  0
- 29 39  1  0  0  0  0
- 30 31  1  0  0  0  0
- 30 33  1  0  0  0  0
- 30 34  1  0  0  0  0
- 31 32  1  0  0  0  0
- 31 35  1  0  0  0  0
- 31 36  1  0  0  0  0
- 32 37  1  0  0  0  0
- 32 38  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--9.700000
-
-$$$$
-jmc_23
-  PyMOL2.3          3D                             0
-
- 36 38  0  0  1  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3078   40.7888   25.1399 C   0  0  1  0  0  0  0  0  0  0  0  0
-   32.8430   41.9489   25.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.2954   41.7808   24.5339 C   0  0  1  0  0  0  0  0  0  0  0  0
-   34.5950   41.3248   24.3095 F   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   31.2733   40.8508   24.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.9140   42.4995   23.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0115   42.5728   26.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.3678   41.5533   26.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 27  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 28  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 24  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 29  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 30  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 31  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 32  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 33  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 34  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 20  1  0  0  0  0
- 20 21  1  0  0  0  0
- 20 22  1  0  0  0  0
- 20 25  1  0  0  0  0
- 21 22  1  0  0  0  0
- 21 35  1  0  0  0  0
- 21 36  1  0  0  0  0
- 22 23  1  0  0  0  0
- 22 26  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--11.700000
-
-$$$$
-ejm_42
-  PyMOL2.3          3D                             0
-
- 35 36  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3078   40.7888   25.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   31.9373   40.9278   24.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.4332   41.7475   25.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.5304   41.0672   25.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0996   42.7638   25.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7444   41.6758   26.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.2744   41.5007   24.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 23  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 24  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 21  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 25  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 26  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 27  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 28  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 29  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 30  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 20  1  0  0  0  0
- 20 22  1  0  0  0  0
- 20 31  1  0  0  0  0
- 20 32  1  0  0  0  0
- 31 33  1  0  0  0  0
- 31 34  1  0  0  0  0
- 31 35  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--9.780000
-
-$$$$
-ejm_54
-  PyMOL2.3          3D                             0
-
- 37 38  0  0  0  0  0  0  0  0999 V2000
-   35.4508   32.9244   31.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
-   36.2874   33.4921   31.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
-   35.8307   33.6967   29.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5227   33.3215   29.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6804   32.7590   30.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
-   34.1549   32.5621   31.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0484   32.3095   29.9333 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   33.9977   33.4969   27.9844 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.9177   32.5202   27.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5907   34.7253   27.6098 N   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0065   35.1315   26.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.4752   34.2796   25.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.8296   34.8397   24.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
-   31.7184   36.1588   24.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.2125   37.0028   25.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.8223   36.5008   26.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.0082   38.3774   24.9292 N   0  0  0  0  0  0  0  0  0  0  0  0
-   32.7726   39.3831   25.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.7744   39.1867   26.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
-   36.8797   34.4395   28.5568 Cl  0  0  0  0  0  0  0  0  0  0  0  0
-   35.8100   32.7662   32.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
-   37.2957   33.7753   31.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.5040   32.1221   32.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.6943   35.5060   28.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
-   32.5721   33.2086   25.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4093   34.2013   23.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.1520   37.1832   27.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
-   31.2226   38.7109   24.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.3414   41.8453   25.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
-   33.0228   42.7683   24.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
-   33.4532   42.0170   26.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.6557   41.4075   24.7794 C   0  0  0  0  0  0  0  0  0  0  0  0
-   32.3811   40.7684   25.1651 N   0  0  0  0  0  0  0  0  0  0  0  0
-   31.4444   40.9768   24.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.9752   40.4844   25.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
-   34.5453   41.2366   23.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
-   35.4030   42.1829   24.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  6  2  0  0  0  0
-  1 21  1  0  0  0  0
-  2  3  2  0  0  0  0
-  2 22  1  0  0  0  0
-  3  4  1  0  0  0  0
-  3 20  1  0  0  0  0
-  4  5  2  0  0  0  0
-  4  8  1  0  0  0  0
-  5  6  1  0  0  0  0
-  5  7  1  0  0  0  0
-  6 23  1  0  0  0  0
-  8  9  2  0  0  0  0
-  8 10  1  0  0  0  0
- 10 11  1  0  0  0  0
- 10 24  1  0  0  0  0
- 11 12  1  0  0  0  0
- 11 16  2  0  0  0  0
- 12 13  2  0  0  0  0
- 12 25  1  0  0  0  0
- 13 14  1  0  0  0  0
- 13 26  1  0  0  0  0
- 14 15  2  0  0  0  0
- 15 16  1  0  0  0  0
- 15 17  1  0  0  0  0
- 16 27  1  0  0  0  0
- 17 18  1  0  0  0  0
- 17 28  1  0  0  0  0
- 18 19  2  0  0  0  0
- 18 33  1  0  0  0  0
- 29 30  1  0  0  0  0
- 29 31  1  0  0  0  0
- 29 32  1  0  0  0  0
- 29 33  1  0  0  0  0
- 32 35  1  0  0  0  0
- 32 36  1  0  0  0  0
- 32 37  1  0  0  0  0
- 33 34  1  0  0  0  0
-M  END
->  <r_user_dG.exp>
--10.530000
-
-$$$$
diff --git a/examples/protein-ligand/cli/Tyk2_protein.pdb b/examples/protein-ligand/cli/Tyk2_protein.pdb
deleted file mode 100644
index c6b056858..000000000
--- a/examples/protein-ligand/cli/Tyk2_protein.pdb
+++ /dev/null
@@ -1,4672 +0,0 @@
-CRYST1   59.354   59.384   72.817  90.00  90.00  90.00 P 1            
-ATOM      1 HH31 ACE     1      22.123  27.558  12.180  0.00  0.00           H  
-ATOM      2  CH3 ACE     1      23.104  28.020  12.283  0.00  0.00           C  
-ATOM      3 HH32 ACE     1      23.610  27.426  13.045  0.00  0.00           H  
-ATOM      4 HH33 ACE     1      22.996  29.054  12.611  0.00  0.00           H  
-ATOM      5  C   ACE     1      23.778  27.791  10.944  0.00  0.00           C  
-ATOM      6  O   ACE     1      23.057  27.540   9.999  0.00  0.00           O  
-ATOM      7  N   THR     2      25.095  27.851  10.979  0.00  0.00           N  
-ATOM      8  H   THR     2      25.490  28.156  11.857  0.00  0.00           H  
-ATOM      9  CA  THR     2      25.915  27.788   9.747  0.00  0.00           C  
-ATOM     10  HA  THR     2      25.386  27.204   8.994  0.00  0.00           H  
-ATOM     11  CB  THR     2      26.251  29.171   9.175  0.00  0.00           C  
-ATOM     12  HB  THR     2      27.015  29.041   8.408  0.00  0.00           H  
-ATOM     13  CG2 THR     2      25.101  29.764   8.394  0.00  0.00           C  
-ATOM     14 HG21 THR     2      25.321  30.658   7.811  0.00  0.00           H  
-ATOM     15 HG22 THR     2      24.725  28.955   7.768  0.00  0.00           H  
-ATOM     16 HG23 THR     2      24.300  30.117   9.044  0.00  0.00           H  
-ATOM     17  OG1 THR     2      26.698  30.057  10.144  0.00  0.00           O  
-ATOM     18  HG1 THR     2      27.650  30.018  10.032  0.00  0.00           H  
-ATOM     19  C   THR     2      27.207  27.013  10.024  0.00  0.00           C  
-ATOM     20  O   THR     2      27.689  26.928  11.118  0.00  0.00           O  
-ATOM     21  N   VAL     3      27.850  26.556   8.961  0.00  0.00           N  
-ATOM     22  H   VAL     3      27.503  26.762   8.034  0.00  0.00           H  
-ATOM     23  CA  VAL     3      29.130  25.883   9.044  0.00  0.00           C  
-ATOM     24  HA  VAL     3      29.131  25.269   9.945  0.00  0.00           H  
-ATOM     25  CB  VAL     3      29.301  24.823   7.957  0.00  0.00           C  
-ATOM     26  HB  VAL     3      29.531  25.374   7.045  0.00  0.00           H  
-ATOM     27  CG1 VAL     3      30.470  23.830   8.305  0.00  0.00           C  
-ATOM     28 HG11 VAL     3      31.437  24.327   8.234  0.00  0.00           H  
-ATOM     29 HG12 VAL     3      30.329  23.600   9.361  0.00  0.00           H  
-ATOM     30 HG13 VAL     3      30.493  22.974   7.630  0.00  0.00           H  
-ATOM     31  CG2 VAL     3      28.095  23.916   7.809  0.00  0.00           C  
-ATOM     32 HG21 VAL     3      28.194  23.129   7.061  0.00  0.00           H  
-ATOM     33 HG22 VAL     3      27.732  23.623   8.794  0.00  0.00           H  
-ATOM     34 HG23 VAL     3      27.288  24.450   7.308  0.00  0.00           H  
-ATOM     35  C   VAL     3      30.358  26.808   9.118  0.00  0.00           C  
-ATOM     36  O   VAL     3      30.486  27.710   8.305  0.00  0.00           O  
-ATOM     37  N   PHE     4      31.225  26.526  10.064  0.00  0.00           N  
-ATOM     38  H   PHE     4      30.938  25.920  10.820  0.00  0.00           H  
-ATOM     39  CA  PHE     4      32.424  27.294  10.344  0.00  0.00           C  
-ATOM     40  HA  PHE     4      32.350  28.169   9.699  0.00  0.00           H  
-ATOM     41  CB  PHE     4      32.484  27.719  11.782  0.00  0.00           C  
-ATOM     42  HB2 PHE     4      32.354  26.863  12.444  0.00  0.00           H  
-ATOM     43  HB3 PHE     4      33.481  28.135  11.930  0.00  0.00           H  
-ATOM     44  CG  PHE     4      31.451  28.810  12.034  0.00  0.00           C  
-ATOM     45  CD1 PHE     4      30.096  28.455  12.391  0.00  0.00           C  
-ATOM     46  HD1 PHE     4      29.880  27.397  12.436  0.00  0.00           H  
-ATOM     47  CE1 PHE     4      29.141  29.469  12.533  0.00  0.00           C  
-ATOM     48  HE1 PHE     4      28.111  29.236  12.761  0.00  0.00           H  
-ATOM     49  CZ  PHE     4      29.475  30.823  12.350  0.00  0.00           C  
-ATOM     50  HZ  PHE     4      28.727  31.558  12.606  0.00  0.00           H  
-ATOM     51  CE2 PHE     4      30.825  31.192  12.132  0.00  0.00           C  
-ATOM     52  HE2 PHE     4      30.954  32.263  12.082  0.00  0.00           H  
-ATOM     53  CD2 PHE     4      31.773  30.181  11.946  0.00  0.00           C  
-ATOM     54  HD2 PHE     4      32.813  30.406  11.762  0.00  0.00           H  
-ATOM     55  C   PHE     4      33.666  26.414   9.989  0.00  0.00           C  
-ATOM     56  O   PHE     4      34.365  25.883  10.866  0.00  0.00           O  
-ATOM     57  N   HIE     5      33.915  26.209   8.720  0.00  0.00           N  
-ATOM     58  H   HIE     5      33.372  26.670   8.004  0.00  0.00           H  
-ATOM     59  CA  HIE     5      35.120  25.445   8.241  0.00  0.00           C  
-ATOM     60  HA  HIE     5      35.159  24.478   8.743  0.00  0.00           H  
-ATOM     61  CB  HIE     5      35.193  25.232   6.792  0.00  0.00           C  
-ATOM     62  HB2 HIE     5      35.169  26.206   6.302  0.00  0.00           H  
-ATOM     63  HB3 HIE     5      36.068  24.685   6.440  0.00  0.00           H  
-ATOM     64  CG  HIE     5      34.122  24.326   6.294  0.00  0.00           C  
-ATOM     65  ND1 HIE     5      33.991  22.908   6.492  0.00  0.00           N  
-ATOM     66  CE1 HIE     5      32.752  22.670   6.034  0.00  0.00           C  
-ATOM     67  HE1 HIE     5      32.276  21.703   6.104  0.00  0.00           H  
-ATOM     68  NE2 HIE     5      32.138  23.826   5.592  0.00  0.00           N  
-ATOM     69  HE2 HIE     5      31.243  23.886   5.129  0.00  0.00           H  
-ATOM     70  CD2 HIE     5      33.045  24.834   5.710  0.00  0.00           C  
-ATOM     71  HD2 HIE     5      32.953  25.874   5.431  0.00  0.00           H  
-ATOM     72  C   HIE     5      36.421  26.103   8.761  0.00  0.00           C  
-ATOM     73  O   HIE     5      36.605  27.357   8.632  0.00  0.00           O  
-ATOM     74  N   LYS     6      37.395  25.335   9.327  0.00  0.00           N  
-ATOM     75  H   LYS     6      37.205  24.344   9.373  0.00  0.00           H  
-ATOM     76  CA  LYS     6      38.683  25.799   9.933  0.00  0.00           C  
-ATOM     77  HA  LYS     6      38.359  26.356  10.812  0.00  0.00           H  
-ATOM     78  CB  LYS     6      39.536  24.573  10.349  0.00  0.00           C  
-ATOM     79  HB2 LYS     6      38.878  24.032  11.029  0.00  0.00           H  
-ATOM     80  HB3 LYS     6      39.612  23.837   9.549  0.00  0.00           H  
-ATOM     81  CG  LYS     6      40.936  24.801  11.065  0.00  0.00           C  
-ATOM     82  HG2 LYS     6      41.316  23.785  11.170  0.00  0.00           H  
-ATOM     83  HG3 LYS     6      41.655  25.277  10.398  0.00  0.00           H  
-ATOM     84  CD  LYS     6      40.930  25.408  12.440  0.00  0.00           C  
-ATOM     85  HD2 LYS     6      40.198  26.216  12.444  0.00  0.00           H  
-ATOM     86  HD3 LYS     6      40.727  24.613  13.157  0.00  0.00           H  
-ATOM     87  CE  LYS     6      42.305  26.097  12.741  0.00  0.00           C  
-ATOM     88  HE2 LYS     6      43.029  25.295  12.596  0.00  0.00           H  
-ATOM     89  HE3 LYS     6      42.492  26.913  12.042  0.00  0.00           H  
-ATOM     90  NZ  LYS     6      42.336  26.446  14.168  0.00  0.00           N  
-ATOM     91  HZ1 LYS     6      41.639  27.134  14.415  0.00  0.00           H  
-ATOM     92  HZ2 LYS     6      42.264  25.639  14.771  0.00  0.00           H  
-ATOM     93  HZ3 LYS     6      43.285  26.766  14.304  0.00  0.00           H  
-ATOM     94  C   LYS     6      39.565  26.673   9.044  0.00  0.00           C  
-ATOM     95  O   LYS     6      40.021  27.731   9.553  0.00  0.00           O  
-ATOM     96  N   ARG     7      39.614  26.394   7.734  0.00  0.00           N  
-ATOM     97  H   ARG     7      39.222  25.521   7.410  0.00  0.00           H  
-ATOM     98  CA  ARG     7      40.461  27.163   6.767  0.00  0.00           C  
-ATOM     99  HA  ARG     7      41.444  27.426   7.158  0.00  0.00           H  
-ATOM    100  CB  ARG     7      40.767  26.306   5.555  0.00  0.00           C  
-ATOM    101  HB2 ARG     7      41.428  26.803   4.845  0.00  0.00           H  
-ATOM    102  HB3 ARG     7      41.251  25.388   5.888  0.00  0.00           H  
-ATOM    103  CG  ARG     7      39.487  25.953   4.734  0.00  0.00           C  
-ATOM    104  HG2 ARG     7      38.638  25.610   5.325  0.00  0.00           H  
-ATOM    105  HG3 ARG     7      39.116  26.893   4.326  0.00  0.00           H  
-ATOM    106  CD  ARG     7      39.880  25.055   3.579  0.00  0.00           C  
-ATOM    107  HD2 ARG     7      40.593  25.568   2.934  0.00  0.00           H  
-ATOM    108  HD3 ARG     7      40.410  24.167   3.925  0.00  0.00           H  
-ATOM    109  NE  ARG     7      38.731  24.657   2.740  0.00  0.00           N  
-ATOM    110  HE  ARG     7      37.926  24.329   3.254  0.00  0.00           H  
-ATOM    111  CZ  ARG     7      38.608  24.502   1.444  0.00  0.00           C  
-ATOM    112  NH1 ARG     7      39.605  24.658   0.604  0.00  0.00           N  
-ATOM    113 HH11 ARG     7      40.448  24.975   1.060  0.00  0.00           H  
-ATOM    114 HH12 ARG     7      39.404  24.424  -0.358  0.00  0.00           H  
-ATOM    115  NH2 ARG     7      37.496  24.072   0.998  0.00  0.00           N  
-ATOM    116 HH21 ARG     7      36.758  24.028   1.686  0.00  0.00           H  
-ATOM    117 HH22 ARG     7      37.356  23.944   0.006  0.00  0.00           H  
-ATOM    118  C   ARG     7      39.931  28.618   6.391  0.00  0.00           C  
-ATOM    119  O   ARG     7      40.469  29.309   5.500  0.00  0.00           O  
-ATOM    120  N   TYR     8      38.730  29.019   6.984  0.00  0.00           N  
-ATOM    121  H   TYR     8      38.403  28.410   7.720  0.00  0.00           H  
-ATOM    122  CA  TYR     8      38.243  30.408   6.848  0.00  0.00           C  
-ATOM    123  HA  TYR     8      38.938  31.067   6.327  0.00  0.00           H  
-ATOM    124  CB  TYR     8      36.987  30.369   6.054  0.00  0.00           C  
-ATOM    125  HB2 TYR     8      36.190  29.847   6.584  0.00  0.00           H  
-ATOM    126  HB3 TYR     8      36.516  31.321   5.809  0.00  0.00           H  
-ATOM    127  CG  TYR     8      37.123  29.634   4.684  0.00  0.00           C  
-ATOM    128  CD1 TYR     8      38.003  30.181   3.713  0.00  0.00           C  
-ATOM    129  HD1 TYR     8      38.639  31.010   3.983  0.00  0.00           H  
-ATOM    130  CE1 TYR     8      38.064  29.519   2.473  0.00  0.00           C  
-ATOM    131  HE1 TYR     8      38.612  30.023   1.691  0.00  0.00           H  
-ATOM    132  CZ  TYR     8      37.375  28.365   2.172  0.00  0.00           C  
-ATOM    133  OH  TYR     8      37.361  27.941   0.932  0.00  0.00           O  
-ATOM    134  HH  TYR     8      37.920  28.451   0.343  0.00  0.00           H  
-ATOM    135  CE2 TYR     8      36.593  27.767   3.147  0.00  0.00           C  
-ATOM    136  HE2 TYR     8      36.025  26.908   2.822  0.00  0.00           H  
-ATOM    137  CD2 TYR     8      36.411  28.408   4.435  0.00  0.00           C  
-ATOM    138  HD2 TYR     8      35.611  28.115   5.099  0.00  0.00           H  
-ATOM    139  C   TYR     8      37.947  31.194   8.163  0.00  0.00           C  
-ATOM    140  O   TYR     8      37.396  32.269   8.193  0.00  0.00           O  
-ATOM    141  N   LEU     9      38.300  30.657   9.293  0.00  0.00           N  
-ATOM    142  H   LEU     9      38.738  29.752   9.199  0.00  0.00           H  
-ATOM    143  CA  LEU     9      38.303  31.325  10.613  0.00  0.00           C  
-ATOM    144  HA  LEU     9      37.323  31.766  10.790  0.00  0.00           H  
-ATOM    145  CB  LEU     9      38.448  30.306  11.784  0.00  0.00           C  
-ATOM    146  HB2 LEU     9      39.240  29.609  11.511  0.00  0.00           H  
-ATOM    147  HB3 LEU     9      38.797  30.820  12.680  0.00  0.00           H  
-ATOM    148  CG  LEU     9      37.142  29.606  12.209  0.00  0.00           C  
-ATOM    149  HG  LEU     9      36.745  29.138  11.308  0.00  0.00           H  
-ATOM    150  CD1 LEU     9      37.482  28.407  13.089  0.00  0.00           C  
-ATOM    151 HD11 LEU     9      37.988  28.717  14.002  0.00  0.00           H  
-ATOM    152 HD12 LEU     9      36.574  27.813  13.198  0.00  0.00           H  
-ATOM    153 HD13 LEU     9      38.275  27.903  12.536  0.00  0.00           H  
-ATOM    154  CD2 LEU     9      36.132  30.595  12.915  0.00  0.00           C  
-ATOM    155 HD21 LEU     9      35.732  31.443  12.358  0.00  0.00           H  
-ATOM    156 HD22 LEU     9      35.181  30.115  13.147  0.00  0.00           H  
-ATOM    157 HD23 LEU     9      36.531  30.792  13.910  0.00  0.00           H  
-ATOM    158  C   LEU     9      39.422  32.363  10.762  0.00  0.00           C  
-ATOM    159  O   LEU     9      40.540  32.130  10.298  0.00  0.00           O  
-ATOM    160  N   LYS    10      39.260  33.483  11.466  0.00  0.00           N  
-ATOM    161  H   LYS    10      38.316  33.814  11.610  0.00  0.00           H  
-ATOM    162  CA  LYS    10      40.424  34.453  11.653  0.00  0.00           C  
-ATOM    163  HA  LYS    10      41.356  33.889  11.638  0.00  0.00           H  
-ATOM    164  CB  LYS    10      40.426  35.600  10.602  0.00  0.00           C  
-ATOM    165  HB2 LYS    10      39.608  36.321  10.608  0.00  0.00           H  
-ATOM    166  HB3 LYS    10      41.266  36.190  10.969  0.00  0.00           H  
-ATOM    167  CG  LYS    10      40.682  35.168   9.161  0.00  0.00           C  
-ATOM    168  HG2 LYS    10      41.532  34.486   9.157  0.00  0.00           H  
-ATOM    169  HG3 LYS    10      39.830  34.555   8.865  0.00  0.00           H  
-ATOM    170  CD  LYS    10      40.784  36.357   8.190  0.00  0.00           C  
-ATOM    171  HD2 LYS    10      39.965  37.049   8.389  0.00  0.00           H  
-ATOM    172  HD3 LYS    10      41.559  37.084   8.432  0.00  0.00           H  
-ATOM    173  CE  LYS    10      40.951  36.001   6.615  0.00  0.00           C  
-ATOM    174  HE2 LYS    10      41.995  35.742   6.438  0.00  0.00           H  
-ATOM    175  HE3 LYS    10      40.383  35.180   6.178  0.00  0.00           H  
-ATOM    176  NZ  LYS    10      40.610  37.193   5.804  0.00  0.00           N  
-ATOM    177  HZ1 LYS    10      40.690  37.028   4.811  0.00  0.00           H  
-ATOM    178  HZ2 LYS    10      39.678  37.560   5.927  0.00  0.00           H  
-ATOM    179  HZ3 LYS    10      41.292  37.905   6.024  0.00  0.00           H  
-ATOM    180  C   LYS    10      40.405  35.152  13.011  0.00  0.00           C  
-ATOM    181  O   LYS    10      39.440  35.786  13.306  0.00  0.00           O  
-ATOM    182  N   LYS    11      41.486  35.114  13.857  0.00  0.00           N  
-ATOM    183  H   LYS    11      42.312  34.571  13.647  0.00  0.00           H  
-ATOM    184  CA  LYS    11      41.395  35.660  15.312  0.00  0.00           C  
-ATOM    185  HA  LYS    11      40.515  35.239  15.798  0.00  0.00           H  
-ATOM    186  CB  LYS    11      42.728  35.213  15.974  0.00  0.00           C  
-ATOM    187  HB2 LYS    11      42.827  34.148  15.768  0.00  0.00           H  
-ATOM    188  HB3 LYS    11      43.581  35.633  15.440  0.00  0.00           H  
-ATOM    189  CG  LYS    11      42.728  35.487  17.536  0.00  0.00           C  
-ATOM    190  HG2 LYS    11      42.830  36.566  17.644  0.00  0.00           H  
-ATOM    191  HG3 LYS    11      41.852  34.981  17.943  0.00  0.00           H  
-ATOM    192  CD  LYS    11      43.987  34.938  18.274  0.00  0.00           C  
-ATOM    193  HD2 LYS    11      43.917  33.896  17.961  0.00  0.00           H  
-ATOM    194  HD3 LYS    11      44.956  35.271  17.902  0.00  0.00           H  
-ATOM    195  CE  LYS    11      43.803  35.213  19.728  0.00  0.00           C  
-ATOM    196  HE2 LYS    11      43.501  36.255  19.834  0.00  0.00           H  
-ATOM    197  HE3 LYS    11      42.965  34.688  20.186  0.00  0.00           H  
-ATOM    198  NZ  LYS    11      45.061  34.880  20.495  0.00  0.00           N  
-ATOM    199  HZ1 LYS    11      45.294  33.917  20.297  0.00  0.00           H  
-ATOM    200  HZ2 LYS    11      45.722  35.544  20.117  0.00  0.00           H  
-ATOM    201  HZ3 LYS    11      44.950  35.023  21.488  0.00  0.00           H  
-ATOM    202  C   LYS    11      41.344  37.238  15.332  0.00  0.00           C  
-ATOM    203  O   LYS    11      41.870  37.924  14.468  0.00  0.00           O  
-ATOM    204  N   ILE    12      40.750  37.747  16.394  0.00  0.00           N  
-ATOM    205  H   ILE    12      40.346  37.054  17.008  0.00  0.00           H  
-ATOM    206  CA  ILE    12      40.492  39.202  16.707  0.00  0.00           C  
-ATOM    207  HA  ILE    12      40.852  39.795  15.866  0.00  0.00           H  
-ATOM    208  CB  ILE    12      38.978  39.517  16.924  0.00  0.00           C  
-ATOM    209  HB  ILE    12      38.676  38.876  17.752  0.00  0.00           H  
-ATOM    210  CG2 ILE    12      38.788  41.009  17.347  0.00  0.00           C  
-ATOM    211 HG21 ILE    12      37.739  41.288  17.444  0.00  0.00           H  
-ATOM    212 HG22 ILE    12      39.364  41.352  18.206  0.00  0.00           H  
-ATOM    213 HG23 ILE    12      39.225  41.654  16.585  0.00  0.00           H  
-ATOM    214  CG1 ILE    12      38.284  39.155  15.614  0.00  0.00           C  
-ATOM    215 HG12 ILE    12      38.606  38.175  15.263  0.00  0.00           H  
-ATOM    216 HG13 ILE    12      37.237  39.107  15.914  0.00  0.00           H  
-ATOM    217  CD1 ILE    12      38.269  40.171  14.483  0.00  0.00           C  
-ATOM    218 HD11 ILE    12      37.912  39.636  13.604  0.00  0.00           H  
-ATOM    219 HD12 ILE    12      37.532  40.949  14.684  0.00  0.00           H  
-ATOM    220 HD13 ILE    12      39.303  40.446  14.273  0.00  0.00           H  
-ATOM    221  C   ILE    12      41.288  39.570  17.945  0.00  0.00           C  
-ATOM    222  O   ILE    12      42.183  40.434  17.800  0.00  0.00           O  
-ATOM    223  N   ARG    13      40.976  38.869  19.098  0.00  0.00           N  
-ATOM    224  H   ARG    13      40.203  38.219  19.080  0.00  0.00           H  
-ATOM    225  CA  ARG    13      41.662  39.049  20.417  0.00  0.00           C  
-ATOM    226  HA  ARG    13      42.739  38.931  20.293  0.00  0.00           H  
-ATOM    227  CB  ARG    13      41.505  40.485  20.923  0.00  0.00           C  
-ATOM    228  HB2 ARG    13      42.118  40.684  21.802  0.00  0.00           H  
-ATOM    229  HB3 ARG    13      41.982  41.084  20.147  0.00  0.00           H  
-ATOM    230  CG  ARG    13      40.072  41.057  21.146  0.00  0.00           C  
-ATOM    231  HG2 ARG    13      39.366  40.539  20.497  0.00  0.00           H  
-ATOM    232  HG3 ARG    13      39.796  40.871  22.184  0.00  0.00           H  
-ATOM    233  CD  ARG    13      40.049  42.539  20.820  0.00  0.00           C  
-ATOM    234  HD2 ARG    13      40.584  43.234  21.466  0.00  0.00           H  
-ATOM    235  HD3 ARG    13      40.414  42.504  19.793  0.00  0.00           H  
-ATOM    236  NE  ARG    13      38.664  43.042  20.671  0.00  0.00           N  
-ATOM    237  HE  ARG    13      38.383  43.254  19.724  0.00  0.00           H  
-ATOM    238  CZ  ARG    13      37.646  43.068  21.553  0.00  0.00           C  
-ATOM    239  NH1 ARG    13      37.798  42.720  22.747  0.00  0.00           N  
-ATOM    240 HH11 ARG    13      38.736  42.625  23.107  0.00  0.00           H  
-ATOM    241 HH12 ARG    13      37.028  42.721  23.400  0.00  0.00           H  
-ATOM    242  NH2 ARG    13      36.405  43.473  21.220  0.00  0.00           N  
-ATOM    243 HH21 ARG    13      36.024  43.470  20.285  0.00  0.00           H  
-ATOM    244 HH22 ARG    13      35.650  43.618  21.875  0.00  0.00           H  
-ATOM    245  C   ARG    13      41.138  38.146  21.540  0.00  0.00           C  
-ATOM    246  O   ARG    13      40.116  37.531  21.381  0.00  0.00           O  
-ATOM    247  N   ASP    14      41.927  37.976  22.578  0.00  0.00           N  
-ATOM    248  H   ASP    14      42.795  38.478  22.704  0.00  0.00           H  
-ATOM    249  CA  ASP    14      41.650  37.031  23.721  0.00  0.00           C  
-ATOM    250  HA  ASP    14      41.207  36.159  23.240  0.00  0.00           H  
-ATOM    251  CB  ASP    14      42.913  36.600  24.467  0.00  0.00           C  
-ATOM    252  HB2 ASP    14      43.480  37.501  24.703  0.00  0.00           H  
-ATOM    253  HB3 ASP    14      42.680  36.228  25.465  0.00  0.00           H  
-ATOM    254  CG  ASP    14      43.627  35.493  23.729  0.00  0.00           C  
-ATOM    255  OD1 ASP    14      43.258  35.223  22.566  0.00  0.00           O  
-ATOM    256  OD2 ASP    14      44.543  34.877  24.269  0.00  0.00           O  
-ATOM    257  C   ASP    14      40.618  37.687  24.676  0.00  0.00           C  
-ATOM    258  O   ASP    14      40.918  38.779  25.187  0.00  0.00           O  
-ATOM    259  N   LEU    15      39.683  36.954  25.055  0.00  0.00           N  
-ATOM    260  H   LEU    15      39.612  36.072  24.566  0.00  0.00           H  
-ATOM    261  CA  LEU    15      38.632  37.383  25.987  0.00  0.00           C  
-ATOM    262  HA  LEU    15      38.571  38.471  26.018  0.00  0.00           H  
-ATOM    263  CB  LEU    15      37.198  36.821  25.589  0.00  0.00           C  
-ATOM    264  HB2 LEU    15      37.219  35.732  25.608  0.00  0.00           H  
-ATOM    265  HB3 LEU    15      36.510  37.167  26.360  0.00  0.00           H  
-ATOM    266  CG  LEU    15      36.867  37.193  24.178  0.00  0.00           C  
-ATOM    267  HG  LEU    15      37.463  36.623  23.465  0.00  0.00           H  
-ATOM    268  CD1 LEU    15      35.426  36.903  23.927  0.00  0.00           C  
-ATOM    269 HD11 LEU    15      35.106  37.340  22.981  0.00  0.00           H  
-ATOM    270 HD12 LEU    15      35.413  35.835  23.708  0.00  0.00           H  
-ATOM    271 HD13 LEU    15      34.769  37.240  24.729  0.00  0.00           H  
-ATOM    272  CD2 LEU    15      37.071  38.744  23.850  0.00  0.00           C  
-ATOM    273 HD21 LEU    15      38.102  39.070  23.987  0.00  0.00           H  
-ATOM    274 HD22 LEU    15      36.892  38.988  22.803  0.00  0.00           H  
-ATOM    275 HD23 LEU    15      36.334  39.246  24.478  0.00  0.00           H  
-ATOM    276  C   LEU    15      39.159  37.034  27.366  0.00  0.00           C  
-ATOM    277  O   LEU    15      38.764  37.688  28.329  0.00  0.00           O  
-ATOM    278  N   GLY    16      40.111  36.099  27.487  0.00  0.00           N  
-ATOM    279  H   GLY    16      40.327  35.671  26.598  0.00  0.00           H  
-ATOM    280  CA  GLY    16      40.771  35.726  28.778  0.00  0.00           C  
-ATOM    281  HA2 GLY    16      41.749  36.207  28.801  0.00  0.00           H  
-ATOM    282  HA3 GLY    16      40.249  36.116  29.651  0.00  0.00           H  
-ATOM    283  C   GLY    16      40.954  34.202  28.998  0.00  0.00           C  
-ATOM    284  O   GLY    16      40.785  33.369  28.151  0.00  0.00           O  
-ATOM    285  N   GLU    17      41.292  33.770  30.223  0.00  0.00           N  
-ATOM    286  H   GLU    17      41.483  34.513  30.880  0.00  0.00           H  
-ATOM    287  CA  GLU    17      41.233  32.313  30.499  0.00  0.00           C  
-ATOM    288  HA  GLU    17      41.783  31.771  29.730  0.00  0.00           H  
-ATOM    289  CB  GLU    17      42.173  31.997  31.688  0.00  0.00           C  
-ATOM    290  HB2 GLU    17      41.777  32.464  32.590  0.00  0.00           H  
-ATOM    291  HB3 GLU    17      42.142  30.913  31.804  0.00  0.00           H  
-ATOM    292  CG  GLU    17      43.620  32.472  31.553  0.00  0.00           C  
-ATOM    293  HG2 GLU    17      43.702  33.545  31.731  0.00  0.00           H  
-ATOM    294  HG3 GLU    17      44.180  32.042  32.384  0.00  0.00           H  
-ATOM    295  CD  GLU    17      44.179  32.074  30.198  0.00  0.00           C  
-ATOM    296  OE1 GLU    17      44.343  30.880  29.849  0.00  0.00           O  
-ATOM    297  OE2 GLU    17      44.741  33.031  29.544  0.00  0.00           O  
-ATOM    298  C   GLU    17      39.853  31.683  30.757  0.00  0.00           C  
-ATOM    299  O   GLU    17      39.167  32.193  31.616  0.00  0.00           O  
-ATOM    300  N   GLY    18      39.622  30.474  30.309  0.00  0.00           N  
-ATOM    301  H   GLY    18      40.258  30.087  29.627  0.00  0.00           H  
-ATOM    302  CA  GLY    18      38.731  29.496  30.984  0.00  0.00           C  
-ATOM    303  HA2 GLY    18      38.083  29.909  31.757  0.00  0.00           H  
-ATOM    304  HA3 GLY    18      37.949  29.183  30.292  0.00  0.00           H  
-ATOM    305  C   GLY    18      39.387  28.146  31.461  0.00  0.00           C  
-ATOM    306  O   GLY    18      40.625  28.133  31.457  0.00  0.00           O  
-ATOM    307  N   HIP    19      38.613  27.083  31.726  0.00  0.00           N  
-ATOM    308  H   HIP    19      37.608  27.180  31.754  0.00  0.00           H  
-ATOM    309  CA  HIP    19      39.219  25.975  32.508  0.00  0.00           C  
-ATOM    310  HA  HIP    19      39.807  26.400  33.321  0.00  0.00           H  
-ATOM    311  CB  HIP    19      38.123  25.094  33.204  0.00  0.00           C  
-ATOM    312  HB2 HIP    19      37.288  25.002  32.510  0.00  0.00           H  
-ATOM    313  HB3 HIP    19      38.500  24.108  33.475  0.00  0.00           H  
-ATOM    314  CG  HIP    19      37.760  25.757  34.454  0.00  0.00           C  
-ATOM    315  ND1 HIP    19      38.524  25.612  35.567  0.00  0.00           N  
-ATOM    316  HD1 HIP    19      39.515  25.417  35.549  0.00  0.00           H  
-ATOM    317  CE1 HIP    19      38.020  26.338  36.537  0.00  0.00           C  
-ATOM    318  HE1 HIP    19      38.661  26.583  37.371  0.00  0.00           H  
-ATOM    319  NE2 HIP    19      36.691  26.643  36.147  0.00  0.00           N  
-ATOM    320  HE2 HIP    19      36.065  27.274  36.626  0.00  0.00           H  
-ATOM    321  CD2 HIP    19      36.573  26.447  34.796  0.00  0.00           C  
-ATOM    322  HD2 HIP    19      35.694  26.661  34.205  0.00  0.00           H  
-ATOM    323  C   HIP    19      40.183  25.203  31.595  0.00  0.00           C  
-ATOM    324  O   HIP    19      41.358  25.175  31.766  0.00  0.00           O  
-ATOM    325  N   PHE    20      39.589  24.720  30.480  0.00  0.00           N  
-ATOM    326  H   PHE    20      38.592  24.758  30.319  0.00  0.00           H  
-ATOM    327  CA  PHE    20      40.362  24.094  29.412  0.00  0.00           C  
-ATOM    328  HA  PHE    20      41.322  23.786  29.825  0.00  0.00           H  
-ATOM    329  CB  PHE    20      39.685  22.824  28.837  0.00  0.00           C  
-ATOM    330  HB2 PHE    20      38.652  22.946  28.511  0.00  0.00           H  
-ATOM    331  HB3 PHE    20      40.220  22.467  27.957  0.00  0.00           H  
-ATOM    332  CG  PHE    20      39.714  21.629  29.687  0.00  0.00           C  
-ATOM    333  CD1 PHE    20      40.851  20.877  29.930  0.00  0.00           C  
-ATOM    334  HD1 PHE    20      41.815  21.202  29.567  0.00  0.00           H  
-ATOM    335  CE1 PHE    20      40.779  19.740  30.765  0.00  0.00           C  
-ATOM    336  HE1 PHE    20      41.635  19.100  30.915  0.00  0.00           H  
-ATOM    337  CZ  PHE    20      39.540  19.300  31.366  0.00  0.00           C  
-ATOM    338  HZ  PHE    20      39.584  18.387  31.942  0.00  0.00           H  
-ATOM    339  CE2 PHE    20      38.349  20.146  31.107  0.00  0.00           C  
-ATOM    340  HE2 PHE    20      37.379  19.884  31.502  0.00  0.00           H  
-ATOM    341  CD2 PHE    20      38.477  21.235  30.255  0.00  0.00           C  
-ATOM    342  HD2 PHE    20      37.589  21.805  30.029  0.00  0.00           H  
-ATOM    343  C   PHE    20      40.706  25.088  28.363  0.00  0.00           C  
-ATOM    344  O   PHE    20      40.082  25.120  27.335  0.00  0.00           O  
-ATOM    345  N   GLY    21      41.617  26.025  28.685  0.00  0.00           N  
-ATOM    346  H   GLY    21      42.181  25.855  29.505  0.00  0.00           H  
-ATOM    347  CA  GLY    21      42.183  26.902  27.626  0.00  0.00           C  
-ATOM    348  HA2 GLY    21      43.272  26.869  27.624  0.00  0.00           H  
-ATOM    349  HA3 GLY    21      41.811  26.530  26.671  0.00  0.00           H  
-ATOM    350  C   GLY    21      41.710  28.391  27.657  0.00  0.00           C  
-ATOM    351  O   GLY    21      40.735  28.799  28.297  0.00  0.00           O  
-ATOM    352  N   LYS    22      42.428  29.304  27.017  0.00  0.00           N  
-ATOM    353  H   LYS    22      43.230  28.964  26.505  0.00  0.00           H  
-ATOM    354  CA  LYS    22      42.015  30.671  26.780  0.00  0.00           C  
-ATOM    355  HA  LYS    22      41.499  31.070  27.653  0.00  0.00           H  
-ATOM    356  CB  LYS    22      43.183  31.572  26.398  0.00  0.00           C  
-ATOM    357  HB2 LYS    22      42.857  32.544  26.029  0.00  0.00           H  
-ATOM    358  HB3 LYS    22      43.773  31.765  27.294  0.00  0.00           H  
-ATOM    359  CG  LYS    22      44.199  31.074  25.296  0.00  0.00           C  
-ATOM    360  HG2 LYS    22      45.156  31.548  25.077  0.00  0.00           H  
-ATOM    361  HG3 LYS    22      44.486  30.083  25.650  0.00  0.00           H  
-ATOM    362  CD  LYS    22      43.604  30.872  23.865  0.00  0.00           C  
-ATOM    363  HD2 LYS    22      42.763  30.181  23.816  0.00  0.00           H  
-ATOM    364  HD3 LYS    22      43.162  31.860  23.735  0.00  0.00           H  
-ATOM    365  CE  LYS    22      44.591  30.434  22.795  0.00  0.00           C  
-ATOM    366  HE2 LYS    22      44.144  30.201  21.829  0.00  0.00           H  
-ATOM    367  HE3 LYS    22      45.254  31.295  22.704  0.00  0.00           H  
-ATOM    368  NZ  LYS    22      45.418  29.278  23.214  0.00  0.00           N  
-ATOM    369  HZ1 LYS    22      44.913  28.490  23.593  0.00  0.00           H  
-ATOM    370  HZ2 LYS    22      46.025  28.890  22.506  0.00  0.00           H  
-ATOM    371  HZ3 LYS    22      45.955  29.572  24.018  0.00  0.00           H  
-ATOM    372  C   LYS    22      40.840  30.680  25.756  0.00  0.00           C  
-ATOM    373  O   LYS    22      40.579  29.657  25.047  0.00  0.00           O  
-ATOM    374  N   VAL    23      40.103  31.780  25.757  0.00  0.00           N  
-ATOM    375  H   VAL    23      40.369  32.537  26.371  0.00  0.00           H  
-ATOM    376  CA  VAL    23      38.979  32.077  24.859  0.00  0.00           C  
-ATOM    377  HA  VAL    23      38.728  31.224  24.228  0.00  0.00           H  
-ATOM    378  CB  VAL    23      37.707  32.182  25.772  0.00  0.00           C  
-ATOM    379  HB  VAL    23      37.811  33.040  26.436  0.00  0.00           H  
-ATOM    380  CG1 VAL    23      36.492  32.645  24.966  0.00  0.00           C  
-ATOM    381 HG11 VAL    23      36.166  31.841  24.306  0.00  0.00           H  
-ATOM    382 HG12 VAL    23      35.692  33.005  25.612  0.00  0.00           H  
-ATOM    383 HG13 VAL    23      36.803  33.445  24.294  0.00  0.00           H  
-ATOM    384  CG2 VAL    23      37.352  30.918  26.504  0.00  0.00           C  
-ATOM    385 HG21 VAL    23      38.147  30.650  27.199  0.00  0.00           H  
-ATOM    386 HG22 VAL    23      36.467  31.207  27.070  0.00  0.00           H  
-ATOM    387 HG23 VAL    23      37.049  30.117  25.829  0.00  0.00           H  
-ATOM    388  C   VAL    23      39.214  33.354  24.034  0.00  0.00           C  
-ATOM    389  O   VAL    23      39.895  34.185  24.521  0.00  0.00           O  
-ATOM    390  N   SER    24      38.798  33.348  22.757  0.00  0.00           N  
-ATOM    391  H   SER    24      38.312  32.544  22.388  0.00  0.00           H  
-ATOM    392  CA  SER    24      39.146  34.519  21.898  0.00  0.00           C  
-ATOM    393  HA  SER    24      39.294  35.434  22.470  0.00  0.00           H  
-ATOM    394  CB  SER    24      40.395  34.259  21.042  0.00  0.00           C  
-ATOM    395  HB2 SER    24      40.225  33.588  20.200  0.00  0.00           H  
-ATOM    396  HB3 SER    24      40.818  35.160  20.600  0.00  0.00           H  
-ATOM    397  OG  SER    24      41.400  33.666  21.747  0.00  0.00           O  
-ATOM    398  HG  SER    24      41.963  34.349  22.120  0.00  0.00           H  
-ATOM    399  C   SER    24      38.058  34.755  20.889  0.00  0.00           C  
-ATOM    400  O   SER    24      37.449  33.857  20.370  0.00  0.00           O  
-ATOM    401  N   LEU    25      37.817  36.048  20.703  0.00  0.00           N  
-ATOM    402  H   LEU    25      38.449  36.715  21.122  0.00  0.00           H  
-ATOM    403  CA  LEU    25      36.977  36.522  19.575  0.00  0.00           C  
-ATOM    404  HA  LEU    25      36.001  36.043  19.653  0.00  0.00           H  
-ATOM    405  CB  LEU    25      36.782  38.015  19.908  0.00  0.00           C  
-ATOM    406  HB2 LEU    25      36.219  37.983  20.841  0.00  0.00           H  
-ATOM    407  HB3 LEU    25      37.718  38.564  20.010  0.00  0.00           H  
-ATOM    408  CG  LEU    25      35.922  38.777  18.869  0.00  0.00           C  
-ATOM    409  HG  LEU    25      36.411  38.834  17.896  0.00  0.00           H  
-ATOM    410  CD1 LEU    25      34.660  37.974  18.698  0.00  0.00           C  
-ATOM    411 HD11 LEU    25      34.738  37.272  17.867  0.00  0.00           H  
-ATOM    412 HD12 LEU    25      34.276  37.463  19.581  0.00  0.00           H  
-ATOM    413 HD13 LEU    25      33.792  38.564  18.403  0.00  0.00           H  
-ATOM    414  CD2 LEU    25      35.579  40.146  19.388  0.00  0.00           C  
-ATOM    415 HD21 LEU    25      36.553  40.601  19.567  0.00  0.00           H  
-ATOM    416 HD22 LEU    25      34.976  40.665  18.642  0.00  0.00           H  
-ATOM    417 HD23 LEU    25      35.097  40.038  20.359  0.00  0.00           H  
-ATOM    418  C   LEU    25      37.660  36.173  18.263  0.00  0.00           C  
-ATOM    419  O   LEU    25      38.903  36.360  18.170  0.00  0.00           O  
-ATOM    420  N   TYR    26      36.894  35.931  17.288  0.00  0.00           N  
-ATOM    421  H   TYR    26      35.921  35.805  17.529  0.00  0.00           H  
-ATOM    422  CA  TYR    26      37.201  35.651  15.844  0.00  0.00           C  
-ATOM    423  HA  TYR    26      38.105  36.142  15.481  0.00  0.00           H  
-ATOM    424  CB  TYR    26      37.176  34.111  15.719  0.00  0.00           C  
-ATOM    425  HB2 TYR    26      36.387  33.812  16.409  0.00  0.00           H  
-ATOM    426  HB3 TYR    26      36.887  33.854  14.700  0.00  0.00           H  
-ATOM    427  CG  TYR    26      38.480  33.346  16.047  0.00  0.00           C  
-ATOM    428  CD1 TYR    26      39.210  32.843  14.949  0.00  0.00           C  
-ATOM    429  HD1 TYR    26      38.884  33.124  13.958  0.00  0.00           H  
-ATOM    430  CE1 TYR    26      40.501  32.304  15.068  0.00  0.00           C  
-ATOM    431  HE1 TYR    26      41.072  32.051  14.187  0.00  0.00           H  
-ATOM    432  CZ  TYR    26      40.956  31.958  16.356  0.00  0.00           C  
-ATOM    433  OH  TYR    26      42.118  31.289  16.455  0.00  0.00           O  
-ATOM    434  HH  TYR    26      42.136  30.681  17.197  0.00  0.00           H  
-ATOM    435  CE2 TYR    26      40.225  32.449  17.449  0.00  0.00           C  
-ATOM    436  HE2 TYR    26      40.648  32.226  18.417  0.00  0.00           H  
-ATOM    437  CD2 TYR    26      39.004  33.206  17.322  0.00  0.00           C  
-ATOM    438  HD2 TYR    26      38.514  33.646  18.178  0.00  0.00           H  
-ATOM    439  C   TYR    26      36.091  36.204  14.840  0.00  0.00           C  
-ATOM    440  O   TYR    26      35.044  36.600  15.294  0.00  0.00           O  
-ATOM    441  N   CYS    27      36.457  36.186  13.584  0.00  0.00           N  
-ATOM    442  H   CYS    27      37.439  35.996  13.445  0.00  0.00           H  
-ATOM    443  CA  CYS    27      35.525  36.340  12.472  0.00  0.00           C  
-ATOM    444  HA  CYS    27      34.483  36.281  12.789  0.00  0.00           H  
-ATOM    445  CB  CYS    27      35.832  37.614  11.711  0.00  0.00           C  
-ATOM    446  HB2 CYS    27      35.904  38.498  12.344  0.00  0.00           H  
-ATOM    447  HB3 CYS    27      36.811  37.450  11.261  0.00  0.00           H  
-ATOM    448  SG  CYS    27      34.520  38.027  10.472  0.00  0.00           S  
-ATOM    449  HG  CYS    27      33.668  38.679  11.268  0.00  0.00           H  
-ATOM    450  C   CYS    27      35.680  35.178  11.508  0.00  0.00           C  
-ATOM    451  O   CYS    27      36.772  34.587  11.416  0.00  0.00           O  
-ATOM    452  N   TYR    28      34.519  34.767  10.948  0.00  0.00           N  
-ATOM    453  H   TYR    28      33.676  35.322  10.944  0.00  0.00           H  
-ATOM    454  CA  TYR    28      34.471  33.801   9.845  0.00  0.00           C  
-ATOM    455  HA  TYR    28      35.324  33.124   9.814  0.00  0.00           H  
-ATOM    456  CB  TYR    28      33.122  32.994   9.979  0.00  0.00           C  
-ATOM    457  HB2 TYR    28      33.033  32.644  11.007  0.00  0.00           H  
-ATOM    458  HB3 TYR    28      32.284  33.683   9.873  0.00  0.00           H  
-ATOM    459  CG  TYR    28      33.069  31.761   9.129  0.00  0.00           C  
-ATOM    460  CD1 TYR    28      34.121  30.831   9.246  0.00  0.00           C  
-ATOM    461  HD1 TYR    28      34.903  30.971   9.978  0.00  0.00           H  
-ATOM    462  CE1 TYR    28      34.215  29.711   8.364  0.00  0.00           C  
-ATOM    463  HE1 TYR    28      34.993  28.971   8.477  0.00  0.00           H  
-ATOM    464  CZ  TYR    28      33.073  29.478   7.486  0.00  0.00           C  
-ATOM    465  OH  TYR    28      33.054  28.375   6.785  0.00  0.00           O  
-ATOM    466  HH  TYR    28      32.345  28.348   6.138  0.00  0.00           H  
-ATOM    467  CE2 TYR    28      32.021  30.472   7.370  0.00  0.00           C  
-ATOM    468  HE2 TYR    28      31.164  30.312   6.733  0.00  0.00           H  
-ATOM    469  CD2 TYR    28      32.071  31.617   8.190  0.00  0.00           C  
-ATOM    470  HD2 TYR    28      31.310  32.383   8.222  0.00  0.00           H  
-ATOM    471  C   TYR    28      34.442  34.623   8.498  0.00  0.00           C  
-ATOM    472  O   TYR    28      33.431  35.271   8.206  0.00  0.00           O  
-ATOM    473  N   ASP    29      35.522  34.693   7.792  0.00  0.00           N  
-ATOM    474  H   ASP    29      36.297  34.141   8.129  0.00  0.00           H  
-ATOM    475  CA  ASP    29      35.743  35.625   6.698  0.00  0.00           C  
-ATOM    476  HA  ASP    29      34.817  36.158   6.483  0.00  0.00           H  
-ATOM    477  CB  ASP    29      36.794  36.685   7.179  0.00  0.00           C  
-ATOM    478  HB2 ASP    29      36.547  37.245   8.082  0.00  0.00           H  
-ATOM    479  HB3 ASP    29      37.699  36.145   7.457  0.00  0.00           H  
-ATOM    480  CG  ASP    29      37.057  37.775   6.077  0.00  0.00           C  
-ATOM    481  OD1 ASP    29      36.299  37.877   5.102  0.00  0.00           O  
-ATOM    482  OD2 ASP    29      38.117  38.437   6.193  0.00  0.00           O  
-ATOM    483  C   ASP    29      36.174  34.879   5.376  0.00  0.00           C  
-ATOM    484  O   ASP    29      37.218  35.136   4.759  0.00  0.00           O  
-ATOM    485  N   PRO    30      35.358  33.854   4.944  0.00  0.00           N  
-ATOM    486  CD  PRO    30      34.099  33.471   5.490  0.00  0.00           C  
-ATOM    487  HD2 PRO    30      33.473  34.354   5.625  0.00  0.00           H  
-ATOM    488  HD3 PRO    30      34.184  32.906   6.418  0.00  0.00           H  
-ATOM    489  CG  PRO    30      33.404  32.654   4.379  0.00  0.00           C  
-ATOM    490  HG2 PRO    30      32.907  33.395   3.753  0.00  0.00           H  
-ATOM    491  HG3 PRO    30      32.847  31.929   4.971  0.00  0.00           H  
-ATOM    492  CB  PRO    30      34.607  32.047   3.579  0.00  0.00           C  
-ATOM    493  HB2 PRO    30      34.326  31.846   2.545  0.00  0.00           H  
-ATOM    494  HB3 PRO    30      34.971  31.116   4.014  0.00  0.00           H  
-ATOM    495  CA  PRO    30      35.763  33.071   3.711  0.00  0.00           C  
-ATOM    496  HA  PRO    30      36.735  32.581   3.765  0.00  0.00           H  
-ATOM    497  C   PRO    30      35.678  33.982   2.447  0.00  0.00           C  
-ATOM    498  O   PRO    30      36.199  33.511   1.429  0.00  0.00           O  
-ATOM    499  N   THR    31      34.947  35.080   2.430  0.00  0.00           N  
-ATOM    500  H   THR    31      34.334  35.262   3.212  0.00  0.00           H  
-ATOM    501  CA  THR    31      35.000  36.074   1.370  0.00  0.00           C  
-ATOM    502  HA  THR    31      35.277  35.531   0.466  0.00  0.00           H  
-ATOM    503  CB  THR    31      33.635  36.721   1.125  0.00  0.00           C  
-ATOM    504  HB  THR    31      33.690  37.338   0.227  0.00  0.00           H  
-ATOM    505  CG2 THR    31      32.611  35.661   0.830  0.00  0.00           C  
-ATOM    506 HG21 THR    31      32.380  35.182   1.781  0.00  0.00           H  
-ATOM    507 HG22 THR    31      31.682  36.058   0.419  0.00  0.00           H  
-ATOM    508 HG23 THR    31      33.018  34.946   0.115  0.00  0.00           H  
-ATOM    509  OG1 THR    31      33.352  37.476   2.311  0.00  0.00           O  
-ATOM    510  HG1 THR    31      33.132  38.313   1.896  0.00  0.00           H  
-ATOM    511  C   THR    31      36.082  37.139   1.445  0.00  0.00           C  
-ATOM    512  O   THR    31      36.162  37.919   0.565  0.00  0.00           O  
-ATOM    513  N   ASN    32      36.946  37.079   2.425  0.00  0.00           N  
-ATOM    514  H   ASN    32      36.737  36.395   3.138  0.00  0.00           H  
-ATOM    515  CA  ASN    32      38.215  37.822   2.466  0.00  0.00           C  
-ATOM    516  HA  ASN    32      38.620  37.662   3.465  0.00  0.00           H  
-ATOM    517  CB  ASN    32      39.252  37.284   1.479  0.00  0.00           C  
-ATOM    518  HB2 ASN    32      39.215  36.197   1.403  0.00  0.00           H  
-ATOM    519  HB3 ASN    32      39.204  37.738   0.489  0.00  0.00           H  
-ATOM    520  CG  ASN    32      40.631  37.671   1.950  0.00  0.00           C  
-ATOM    521  OD1 ASN    32      40.981  37.399   3.086  0.00  0.00           O  
-ATOM    522  ND2 ASN    32      41.554  38.207   1.106  0.00  0.00           N  
-ATOM    523 HD21 ASN    32      41.364  38.499   0.158  0.00  0.00           H  
-ATOM    524 HD22 ASN    32      42.444  38.535   1.453  0.00  0.00           H  
-ATOM    525  C   ASN    32      37.896  39.352   2.305  0.00  0.00           C  
-ATOM    526  O   ASN    32      38.537  40.094   1.555  0.00  0.00           O  
-ATOM    527  N   ASP    33      36.989  39.875   3.167  0.00  0.00           N  
-ATOM    528  H   ASP    33      36.583  39.205   3.805  0.00  0.00           H  
-ATOM    529  CA  ASP    33      36.548  41.292   3.191  0.00  0.00           C  
-ATOM    530  HA  ASP    33      37.316  41.924   2.745  0.00  0.00           H  
-ATOM    531  CB  ASP    33      35.392  41.486   2.234  0.00  0.00           C  
-ATOM    532  HB2 ASP    33      34.950  42.482   2.270  0.00  0.00           H  
-ATOM    533  HB3 ASP    33      35.661  41.332   1.189  0.00  0.00           H  
-ATOM    534  CG  ASP    33      34.164  40.625   2.558  0.00  0.00           C  
-ATOM    535  OD1 ASP    33      33.746  40.543   3.717  0.00  0.00           O  
-ATOM    536  OD2 ASP    33      33.633  40.114   1.597  0.00  0.00           O  
-ATOM    537  C   ASP    33      36.186  41.842   4.644  0.00  0.00           C  
-ATOM    538  O   ASP    33      35.953  43.054   4.813  0.00  0.00           O  
-ATOM    539  N   GLY    34      36.112  40.911   5.628  0.00  0.00           N  
-ATOM    540  H   GLY    34      36.312  39.954   5.378  0.00  0.00           H  
-ATOM    541  CA  GLY    34      35.956  41.195   6.993  0.00  0.00           C  
-ATOM    542  HA2 GLY    34      36.187  40.264   7.509  0.00  0.00           H  
-ATOM    543  HA3 GLY    34      36.521  42.072   7.310  0.00  0.00           H  
-ATOM    544  C   GLY    34      34.558  41.519   7.495  0.00  0.00           C  
-ATOM    545  O   GLY    34      34.392  41.595   8.740  0.00  0.00           O  
-ATOM    546  N   THR    35      33.672  41.725   6.540  0.00  0.00           N  
-ATOM    547  H   THR    35      33.924  41.636   5.566  0.00  0.00           H  
-ATOM    548  CA  THR    35      32.237  41.946   6.782  0.00  0.00           C  
-ATOM    549  HA  THR    35      32.058  42.759   7.486  0.00  0.00           H  
-ATOM    550  CB  THR    35      31.495  42.226   5.466  0.00  0.00           C  
-ATOM    551  HB  THR    35      30.490  42.429   5.838  0.00  0.00           H  
-ATOM    552  CG2 THR    35      32.210  43.298   4.615  0.00  0.00           C  
-ATOM    553 HG21 THR    35      33.019  42.972   3.961  0.00  0.00           H  
-ATOM    554 HG22 THR    35      31.519  43.758   3.908  0.00  0.00           H  
-ATOM    555 HG23 THR    35      32.520  44.146   5.225  0.00  0.00           H  
-ATOM    556  OG1 THR    35      31.418  41.104   4.594  0.00  0.00           O  
-ATOM    557  HG1 THR    35      32.294  40.928   4.245  0.00  0.00           H  
-ATOM    558  C   THR    35      31.604  40.678   7.408  0.00  0.00           C  
-ATOM    559  O   THR    35      30.453  40.741   7.758  0.00  0.00           O  
-ATOM    560  N   GLY    36      32.214  39.515   7.501  0.00  0.00           N  
-ATOM    561  H   GLY    36      33.139  39.637   7.115  0.00  0.00           H  
-ATOM    562  CA  GLY    36      31.748  38.212   7.892  0.00  0.00           C  
-ATOM    563  HA2 GLY    36      30.975  37.861   7.208  0.00  0.00           H  
-ATOM    564  HA3 GLY    36      32.589  37.536   7.736  0.00  0.00           H  
-ATOM    565  C   GLY    36      31.263  38.058   9.320  0.00  0.00           C  
-ATOM    566  O   GLY    36      31.224  38.984  10.170  0.00  0.00           O  
-ATOM    567  N   GLU    37      30.629  36.880   9.557  0.00  0.00           N  
-ATOM    568  H   GLU    37      30.754  36.118   8.906  0.00  0.00           H  
-ATOM    569  CA  GLU    37      30.002  36.521  10.830  0.00  0.00           C  
-ATOM    570  HA  GLU    37      29.297  37.284  11.159  0.00  0.00           H  
-ATOM    571  CB  GLU    37      29.258  35.194  10.606  0.00  0.00           C  
-ATOM    572  HB2 GLU    37      28.478  35.405   9.874  0.00  0.00           H  
-ATOM    573  HB3 GLU    37      29.972  34.543  10.101  0.00  0.00           H  
-ATOM    574  CG  GLU    37      28.647  34.425  11.780  0.00  0.00           C  
-ATOM    575  HG2 GLU    37      28.275  33.473  11.401  0.00  0.00           H  
-ATOM    576  HG3 GLU    37      29.446  34.388  12.521  0.00  0.00           H  
-ATOM    577  CD  GLU    37      27.411  35.183  12.441  0.00  0.00           C  
-ATOM    578  OE1 GLU    37      26.445  34.498  12.818  0.00  0.00           O  
-ATOM    579  OE2 GLU    37      27.451  36.451  12.637  0.00  0.00           O  
-ATOM    580  C   GLU    37      30.965  36.391  12.049  0.00  0.00           C  
-ATOM    581  O   GLU    37      32.044  35.885  11.870  0.00  0.00           O  
-ATOM    582  N   MET    38      30.707  36.871  13.285  0.00  0.00           N  
-ATOM    583  H   MET    38      29.762  37.191  13.440  0.00  0.00           H  
-ATOM    584  CA  MET    38      31.578  36.907  14.396  0.00  0.00           C  
-ATOM    585  HA  MET    38      32.593  36.735  14.038  0.00  0.00           H  
-ATOM    586  CB  MET    38      31.446  38.262  15.046  0.00  0.00           C  
-ATOM    587  HB2 MET    38      30.437  38.613  15.259  0.00  0.00           H  
-ATOM    588  HB3 MET    38      31.794  38.188  16.076  0.00  0.00           H  
-ATOM    589  CG  MET    38      32.186  39.323  14.209  0.00  0.00           C  
-ATOM    590  HG2 MET    38      33.104  38.814  13.915  0.00  0.00           H  
-ATOM    591  HG3 MET    38      31.533  39.563  13.370  0.00  0.00           H  
-ATOM    592  SD  MET    38      32.501  40.837  15.084  0.00  0.00           S  
-ATOM    593  CE  MET    38      34.257  40.449  15.534  0.00  0.00           C  
-ATOM    594  HE1 MET    38      34.445  39.473  15.981  0.00  0.00           H  
-ATOM    595  HE2 MET    38      34.855  40.328  14.631  0.00  0.00           H  
-ATOM    596  HE3 MET    38      34.732  41.238  16.116  0.00  0.00           H  
-ATOM    597  C   MET    38      31.309  35.727  15.360  0.00  0.00           C  
-ATOM    598  O   MET    38      30.119  35.385  15.655  0.00  0.00           O  
-ATOM    599  N   VAL    39      32.351  35.120  16.000  0.00  0.00           N  
-ATOM    600  H   VAL    39      33.294  35.395  15.763  0.00  0.00           H  
-ATOM    601  CA  VAL    39      32.364  33.956  16.871  0.00  0.00           C  
-ATOM    602  HA  VAL    39      31.388  33.922  17.354  0.00  0.00           H  
-ATOM    603  CB  VAL    39      32.391  32.635  16.056  0.00  0.00           C  
-ATOM    604  HB  VAL    39      32.567  31.801  16.734  0.00  0.00           H  
-ATOM    605  CG1 VAL    39      31.068  32.278  15.432  0.00  0.00           C  
-ATOM    606 HG11 VAL    39      30.243  32.415  16.131  0.00  0.00           H  
-ATOM    607 HG12 VAL    39      30.939  32.825  14.498  0.00  0.00           H  
-ATOM    608 HG13 VAL    39      31.201  31.252  15.087  0.00  0.00           H  
-ATOM    609  CG2 VAL    39      33.532  32.598  15.070  0.00  0.00           C  
-ATOM    610 HG21 VAL    39      33.270  33.386  14.364  0.00  0.00           H  
-ATOM    611 HG22 VAL    39      34.471  32.570  15.622  0.00  0.00           H  
-ATOM    612 HG23 VAL    39      33.496  31.687  14.473  0.00  0.00           H  
-ATOM    613  C   VAL    39      33.423  33.981  17.905  0.00  0.00           C  
-ATOM    614  O   VAL    39      34.418  34.725  17.778  0.00  0.00           O  
-ATOM    615  N   ALA    40      33.306  33.093  18.879  0.00  0.00           N  
-ATOM    616  H   ALA    40      32.464  32.537  18.903  0.00  0.00           H  
-ATOM    617  CA  ALA    40      34.344  32.709  19.800  0.00  0.00           C  
-ATOM    618  HA  ALA    40      35.179  33.410  19.798  0.00  0.00           H  
-ATOM    619  CB  ALA    40      33.824  32.828  21.226  0.00  0.00           C  
-ATOM    620  HB1 ALA    40      33.277  33.768  21.295  0.00  0.00           H  
-ATOM    621  HB2 ALA    40      33.087  32.068  21.488  0.00  0.00           H  
-ATOM    622  HB3 ALA    40      34.662  32.814  21.922  0.00  0.00           H  
-ATOM    623  C   ALA    40      34.978  31.307  19.378  0.00  0.00           C  
-ATOM    624  O   ALA    40      34.290  30.444  18.740  0.00  0.00           O  
-ATOM    625  N   VAL    41      36.201  31.192  19.857  0.00  0.00           N  
-ATOM    626  H   VAL    41      36.653  32.037  20.176  0.00  0.00           H  
-ATOM    627  CA  VAL    41      36.977  29.966  19.994  0.00  0.00           C  
-ATOM    628  HA  VAL    41      36.277  29.188  19.688  0.00  0.00           H  
-ATOM    629  CB  VAL    41      38.028  29.776  18.847  0.00  0.00           C  
-ATOM    630  HB  VAL    41      38.878  30.419  19.077  0.00  0.00           H  
-ATOM    631  CG1 VAL    41      38.382  28.325  18.701  0.00  0.00           C  
-ATOM    632 HG11 VAL    41      39.219  28.253  18.006  0.00  0.00           H  
-ATOM    633 HG12 VAL    41      38.718  27.837  19.616  0.00  0.00           H  
-ATOM    634 HG13 VAL    41      37.571  27.764  18.236  0.00  0.00           H  
-ATOM    635  CG2 VAL    41      37.471  30.140  17.460  0.00  0.00           C  
-ATOM    636 HG21 VAL    41      37.121  31.169  17.391  0.00  0.00           H  
-ATOM    637 HG22 VAL    41      38.342  30.122  16.804  0.00  0.00           H  
-ATOM    638 HG23 VAL    41      36.712  29.457  17.078  0.00  0.00           H  
-ATOM    639  C   VAL    41      37.560  29.785  21.359  0.00  0.00           C  
-ATOM    640  O   VAL    41      38.078  30.772  21.975  0.00  0.00           O  
-ATOM    641  N   LYS    42      37.568  28.567  21.870  0.00  0.00           N  
-ATOM    642  H   LYS    42      37.115  27.815  21.371  0.00  0.00           H  
-ATOM    643  CA  LYS    42      38.349  28.138  23.048  0.00  0.00           C  
-ATOM    644  HA  LYS    42      38.871  28.938  23.574  0.00  0.00           H  
-ATOM    645  CB  LYS    42      37.420  27.310  23.980  0.00  0.00           C  
-ATOM    646  HB2 LYS    42      36.499  27.886  24.077  0.00  0.00           H  
-ATOM    647  HB3 LYS    42      37.214  26.309  23.600  0.00  0.00           H  
-ATOM    648  CG  LYS    42      38.009  27.272  25.398  0.00  0.00           C  
-ATOM    649  HG2 LYS    42      38.809  26.534  25.330  0.00  0.00           H  
-ATOM    650  HG3 LYS    42      38.484  28.232  25.599  0.00  0.00           H  
-ATOM    651  CD  LYS    42      37.009  26.734  26.364  0.00  0.00           C  
-ATOM    652  HD2 LYS    42      36.029  27.195  26.242  0.00  0.00           H  
-ATOM    653  HD3 LYS    42      36.946  25.669  26.142  0.00  0.00           H  
-ATOM    654  CE  LYS    42      37.391  26.847  27.839  0.00  0.00           C  
-ATOM    655  HE2 LYS    42      38.253  26.189  27.951  0.00  0.00           H  
-ATOM    656  HE3 LYS    42      37.667  27.898  27.935  0.00  0.00           H  
-ATOM    657  NZ  LYS    42      36.354  26.430  28.833  0.00  0.00           N  
-ATOM    658  HZ1 LYS    42      36.480  26.904  29.715  0.00  0.00           H  
-ATOM    659  HZ2 LYS    42      35.399  26.440  28.506  0.00  0.00           H  
-ATOM    660  HZ3 LYS    42      36.540  25.484  29.134  0.00  0.00           H  
-ATOM    661  C   LYS    42      39.527  27.239  22.698  0.00  0.00           C  
-ATOM    662  O   LYS    42      39.388  26.382  21.852  0.00  0.00           O  
-ATOM    663  N   ALA    43      40.635  27.327  23.438  0.00  0.00           N  
-ATOM    664  H   ALA    43      40.566  27.932  24.244  0.00  0.00           H  
-ATOM    665  CA  ALA    43      41.892  26.720  23.047  0.00  0.00           C  
-ATOM    666  HA  ALA    43      41.709  25.697  22.720  0.00  0.00           H  
-ATOM    667  CB  ALA    43      42.491  27.583  21.850  0.00  0.00           C  
-ATOM    668  HB1 ALA    43      42.354  28.638  22.087  0.00  0.00           H  
-ATOM    669  HB2 ALA    43      43.528  27.266  21.732  0.00  0.00           H  
-ATOM    670  HB3 ALA    43      41.899  27.458  20.943  0.00  0.00           H  
-ATOM    671  C   ALA    43      42.958  26.592  24.168  0.00  0.00           C  
-ATOM    672  O   ALA    43      43.292  27.608  24.876  0.00  0.00           O  
-ATOM    673  N   LEU    44      43.503  25.439  24.346  0.00  0.00           N  
-ATOM    674  H   LEU    44      43.176  24.646  23.812  0.00  0.00           H  
-ATOM    675  CA  LEU    44      44.657  25.247  25.151  0.00  0.00           C  
-ATOM    676  HA  LEU    44      44.425  25.676  26.126  0.00  0.00           H  
-ATOM    677  CB  LEU    44      44.974  23.785  25.424  0.00  0.00           C  
-ATOM    678  HB2 LEU    44      45.496  23.336  24.579  0.00  0.00           H  
-ATOM    679  HB3 LEU    44      45.703  23.790  26.233  0.00  0.00           H  
-ATOM    680  CG  LEU    44      43.741  22.868  25.737  0.00  0.00           C  
-ATOM    681  HG  LEU    44      43.017  23.020  24.937  0.00  0.00           H  
-ATOM    682  CD1 LEU    44      44.057  21.410  25.688  0.00  0.00           C  
-ATOM    683 HD11 LEU    44      44.671  21.023  26.502  0.00  0.00           H  
-ATOM    684 HD12 LEU    44      43.102  20.885  25.686  0.00  0.00           H  
-ATOM    685 HD13 LEU    44      44.647  21.159  24.807  0.00  0.00           H  
-ATOM    686  CD2 LEU    44      43.247  23.194  27.153  0.00  0.00           C  
-ATOM    687 HD21 LEU    44      42.373  22.608  27.437  0.00  0.00           H  
-ATOM    688 HD22 LEU    44      43.958  22.797  27.879  0.00  0.00           H  
-ATOM    689 HD23 LEU    44      42.937  24.236  27.221  0.00  0.00           H  
-ATOM    690  C   LEU    44      45.849  25.893  24.661  0.00  0.00           C  
-ATOM    691  O   LEU    44      46.002  26.360  23.479  0.00  0.00           O  
-ATOM    692  N   LYS    45      46.890  26.073  25.511  0.00  0.00           N  
-ATOM    693  H   LYS    45      46.755  25.686  26.434  0.00  0.00           H  
-ATOM    694  CA  LYS    45      48.238  26.533  25.033  0.00  0.00           C  
-ATOM    695  HA  LYS    45      48.035  27.369  24.364  0.00  0.00           H  
-ATOM    696  CB  LYS    45      49.034  27.112  26.301  0.00  0.00           C  
-ATOM    697  HB2 LYS    45      49.944  27.637  26.011  0.00  0.00           H  
-ATOM    698  HB3 LYS    45      48.359  27.804  26.805  0.00  0.00           H  
-ATOM    699  CG  LYS    45      49.245  26.046  27.364  0.00  0.00           C  
-ATOM    700  HG2 LYS    45      48.352  25.466  27.595  0.00  0.00           H  
-ATOM    701  HG3 LYS    45      50.000  25.389  26.933  0.00  0.00           H  
-ATOM    702  CD  LYS    45      49.787  26.631  28.694  0.00  0.00           C  
-ATOM    703  HD2 LYS    45      50.024  25.873  29.441  0.00  0.00           H  
-ATOM    704  HD3 LYS    45      50.724  27.144  28.478  0.00  0.00           H  
-ATOM    705  CE  LYS    45      48.844  27.672  29.330  0.00  0.00           C  
-ATOM    706  HE2 LYS    45      48.710  28.532  28.673  0.00  0.00           H  
-ATOM    707  HE3 LYS    45      47.941  27.104  29.552  0.00  0.00           H  
-ATOM    708  NZ  LYS    45      49.393  28.213  30.597  0.00  0.00           N  
-ATOM    709  HZ1 LYS    45      48.761  28.922  30.941  0.00  0.00           H  
-ATOM    710  HZ2 LYS    45      49.439  27.557  31.363  0.00  0.00           H  
-ATOM    711  HZ3 LYS    45      50.341  28.546  30.493  0.00  0.00           H  
-ATOM    712  C   LYS    45      48.996  25.465  24.275  0.00  0.00           C  
-ATOM    713  O   LYS    45      48.629  24.286  24.318  0.00  0.00           O  
-ATOM    714  N   ALA    46      50.028  25.857  23.531  0.00  0.00           N  
-ATOM    715  H   ALA    46      50.449  26.722  23.839  0.00  0.00           H  
-ATOM    716  CA  ALA    46      50.890  24.910  22.689  0.00  0.00           C  
-ATOM    717  HA  ALA    46      50.237  24.490  21.924  0.00  0.00           H  
-ATOM    718  CB  ALA    46      51.799  25.859  21.960  0.00  0.00           C  
-ATOM    719  HB1 ALA    46      52.166  26.747  22.474  0.00  0.00           H  
-ATOM    720  HB2 ALA    46      52.652  25.263  21.636  0.00  0.00           H  
-ATOM    721  HB3 ALA    46      51.222  26.032  21.051  0.00  0.00           H  
-ATOM    722  C   ALA    46      51.621  23.839  23.581  0.00  0.00           C  
-ATOM    723  O   ALA    46      51.964  22.728  23.144  0.00  0.00           O  
-ATOM    724  N   ASP    47      51.892  24.287  24.827  0.00  0.00           N  
-ATOM    725  H   ASP    47      51.531  25.196  25.081  0.00  0.00           H  
-ATOM    726  CA  ASP    47      52.650  23.584  25.898  0.00  0.00           C  
-ATOM    727  HA  ASP    47      53.337  22.840  25.495  0.00  0.00           H  
-ATOM    728  CB  ASP    47      53.345  24.711  26.654  0.00  0.00           C  
-ATOM    729  HB2 ASP    47      52.618  25.404  27.079  0.00  0.00           H  
-ATOM    730  HB3 ASP    47      53.868  24.364  27.545  0.00  0.00           H  
-ATOM    731  CG  ASP    47      54.429  25.421  25.876  0.00  0.00           C  
-ATOM    732  OD1 ASP    47      55.107  24.847  24.991  0.00  0.00           O  
-ATOM    733  OD2 ASP    47      54.596  26.663  26.116  0.00  0.00           O  
-ATOM    734  C   ASP    47      51.750  22.869  26.940  0.00  0.00           C  
-ATOM    735  O   ASP    47      52.197  22.545  28.086  0.00  0.00           O  
-ATOM    736  N   CYS    48      50.501  22.659  26.590  0.00  0.00           N  
-ATOM    737  H   CYS    48      50.138  23.028  25.722  0.00  0.00           H  
-ATOM    738  CA  CYS    48      49.571  21.854  27.414  0.00  0.00           C  
-ATOM    739  HA  CYS    48      49.494  22.320  28.396  0.00  0.00           H  
-ATOM    740  CB  CYS    48      48.196  22.032  26.835  0.00  0.00           C  
-ATOM    741  HB2 CYS    48      48.050  23.097  26.651  0.00  0.00           H  
-ATOM    742  HB3 CYS    48      48.154  21.405  25.944  0.00  0.00           H  
-ATOM    743  SG  CYS    48      46.937  21.265  27.741  0.00  0.00           S  
-ATOM    744  HG  CYS    48      47.050  21.985  28.861  0.00  0.00           H  
-ATOM    745  C   CYS    48      49.964  20.405  27.625  0.00  0.00           C  
-ATOM    746  O   CYS    48      50.482  19.778  26.671  0.00  0.00           O  
-ATOM    747  N   GLY    49      49.759  19.856  28.840  0.00  0.00           N  
-ATOM    748  H   GLY    49      49.487  20.439  29.618  0.00  0.00           H  
-ATOM    749  CA  GLY    49      50.005  18.415  29.045  0.00  0.00           C  
-ATOM    750  HA2 GLY    49      51.064  18.263  28.835  0.00  0.00           H  
-ATOM    751  HA3 GLY    49      49.873  18.192  30.103  0.00  0.00           H  
-ATOM    752  C   GLY    49      49.047  17.599  28.217  0.00  0.00           C  
-ATOM    753  O   GLY    49      47.872  17.949  28.206  0.00  0.00           O  
-ATOM    754  N   PRO    50      49.489  16.407  27.730  0.00  0.00           N  
-ATOM    755  CD  PRO    50      50.665  15.653  28.126  0.00  0.00           C  
-ATOM    756  HD2 PRO    50      50.901  15.666  29.190  0.00  0.00           H  
-ATOM    757  HD3 PRO    50      51.555  15.926  27.559  0.00  0.00           H  
-ATOM    758  CG  PRO    50      50.445  14.231  27.737  0.00  0.00           C  
-ATOM    759  HG2 PRO    50      49.897  13.616  28.452  0.00  0.00           H  
-ATOM    760  HG3 PRO    50      51.410  13.776  27.516  0.00  0.00           H  
-ATOM    761  CB  PRO    50      49.552  14.380  26.479  0.00  0.00           C  
-ATOM    762  HB2 PRO    50      49.003  13.444  26.383  0.00  0.00           H  
-ATOM    763  HB3 PRO    50      50.076  14.670  25.568  0.00  0.00           H  
-ATOM    764  CA  PRO    50      48.623  15.537  26.926  0.00  0.00           C  
-ATOM    765  HA  PRO    50      48.312  16.150  26.080  0.00  0.00           H  
-ATOM    766  C   PRO    50      47.329  15.030  27.594  0.00  0.00           C  
-ATOM    767  O   PRO    50      46.280  14.805  26.913  0.00  0.00           O  
-ATOM    768  N   GLN    51      47.429  14.924  28.865  0.00  0.00           N  
-ATOM    769  H   GLN    51      48.298  15.114  29.342  0.00  0.00           H  
-ATOM    770  CA  GLN    51      46.320  14.379  29.709  0.00  0.00           C  
-ATOM    771  HA  GLN    51      45.965  13.472  29.221  0.00  0.00           H  
-ATOM    772  CB  GLN    51      46.793  13.827  31.110  0.00  0.00           C  
-ATOM    773  HB2 GLN    51      45.952  13.327  31.592  0.00  0.00           H  
-ATOM    774  HB3 GLN    51      47.669  13.179  31.076  0.00  0.00           H  
-ATOM    775  CG  GLN    51      47.033  14.927  32.099  0.00  0.00           C  
-ATOM    776  HG2 GLN    51      46.284  15.719  32.072  0.00  0.00           H  
-ATOM    777  HG3 GLN    51      47.109  14.568  33.125  0.00  0.00           H  
-ATOM    778  CD  GLN    51      48.296  15.753  31.839  0.00  0.00           C  
-ATOM    779  OE1 GLN    51      49.178  15.376  31.034  0.00  0.00           O  
-ATOM    780  NE2 GLN    51      48.382  16.889  32.492  0.00  0.00           N  
-ATOM    781 HE21 GLN    51      47.756  17.018  33.274  0.00  0.00           H  
-ATOM    782 HE22 GLN    51      49.100  17.565  32.274  0.00  0.00           H  
-ATOM    783  C   GLN    51      45.231  15.486  29.796  0.00  0.00           C  
-ATOM    784  O   GLN    51      44.098  15.182  29.985  0.00  0.00           O  
-ATOM    785  N   HIE    52      45.640  16.779  29.718  0.00  0.00           N  
-ATOM    786  H   HIE    52      46.632  16.938  29.618  0.00  0.00           H  
-ATOM    787  CA  HIE    52      44.711  17.910  29.724  0.00  0.00           C  
-ATOM    788  HA  HIE    52      43.895  17.714  30.420  0.00  0.00           H  
-ATOM    789  CB  HIE    52      45.495  19.028  30.441  0.00  0.00           C  
-ATOM    790  HB2 HIE    52      46.131  18.629  31.231  0.00  0.00           H  
-ATOM    791  HB3 HIE    52      45.967  19.594  29.639  0.00  0.00           H  
-ATOM    792  CG  HIE    52      44.571  20.050  31.058  0.00  0.00           C  
-ATOM    793  ND1 HIE    52      43.680  19.830  32.134  0.00  0.00           N  
-ATOM    794  CE1 HIE    52      43.154  21.049  32.398  0.00  0.00           C  
-ATOM    795  HE1 HIE    52      42.461  21.160  33.219  0.00  0.00           H  
-ATOM    796  NE2 HIE    52      43.735  21.983  31.700  0.00  0.00           N  
-ATOM    797  HE2 HIE    52      43.737  22.970  31.914  0.00  0.00           H  
-ATOM    798  CD2 HIE    52      44.621  21.417  30.850  0.00  0.00           C  
-ATOM    799  HD2 HIE    52      45.431  21.887  30.312  0.00  0.00           H  
-ATOM    800  C   HIE    52      44.118  18.147  28.261  0.00  0.00           C  
-ATOM    801  O   HIE    52      42.909  18.396  28.188  0.00  0.00           O  
-ATOM    802  N   ARG    53      44.838  17.848  27.203  0.00  0.00           N  
-ATOM    803  H   ARG    53      45.823  17.841  27.430  0.00  0.00           H  
-ATOM    804  CA  ARG    53      44.347  17.724  25.852  0.00  0.00           C  
-ATOM    805  HA  ARG    53      43.736  18.600  25.634  0.00  0.00           H  
-ATOM    806  CB  ARG    53      45.482  17.539  24.824  0.00  0.00           C  
-ATOM    807  HB2 ARG    53      45.958  16.561  24.906  0.00  0.00           H  
-ATOM    808  HB3 ARG    53      45.124  17.366  23.809  0.00  0.00           H  
-ATOM    809  CG  ARG    53      46.740  18.501  24.806  0.00  0.00           C  
-ATOM    810  HG2 ARG    53      46.404  19.506  24.549  0.00  0.00           H  
-ATOM    811  HG3 ARG    53      47.240  18.633  25.766  0.00  0.00           H  
-ATOM    812  CD  ARG    53      47.770  18.073  23.804  0.00  0.00           C  
-ATOM    813  HD2 ARG    53      48.197  17.131  24.148  0.00  0.00           H  
-ATOM    814  HD3 ARG    53      47.295  17.935  22.832  0.00  0.00           H  
-ATOM    815  NE  ARG    53      48.920  19.021  23.818  0.00  0.00           N  
-ATOM    816  HE  ARG    53      48.715  20.009  23.855  0.00  0.00           H  
-ATOM    817  CZ  ARG    53      50.201  18.872  23.449  0.00  0.00           C  
-ATOM    818  NH1 ARG    53      50.791  17.690  23.472  0.00  0.00           N  
-ATOM    819 HH11 ARG    53      50.383  16.767  23.515  0.00  0.00           H  
-ATOM    820 HH12 ARG    53      51.784  17.602  23.310  0.00  0.00           H  
-ATOM    821  NH2 ARG    53      50.943  19.878  23.191  0.00  0.00           N  
-ATOM    822 HH21 ARG    53      50.564  20.814  23.197  0.00  0.00           H  
-ATOM    823 HH22 ARG    53      51.887  19.724  22.869  0.00  0.00           H  
-ATOM    824  C   ARG    53      43.375  16.603  25.759  0.00  0.00           C  
-ATOM    825  O   ARG    53      42.371  16.797  25.115  0.00  0.00           O  
-ATOM    826  N   SER    54      43.561  15.571  26.501  0.00  0.00           N  
-ATOM    827  H   SER    54      44.463  15.513  26.953  0.00  0.00           H  
-ATOM    828  CA  SER    54      42.662  14.484  26.589  0.00  0.00           C  
-ATOM    829  HA  SER    54      42.442  14.168  25.569  0.00  0.00           H  
-ATOM    830  CB  SER    54      43.285  13.235  27.271  0.00  0.00           C  
-ATOM    831  HB2 SER    54      44.316  13.088  26.950  0.00  0.00           H  
-ATOM    832  HB3 SER    54      43.207  13.497  28.326  0.00  0.00           H  
-ATOM    833  OG  SER    54      42.601  12.050  27.130  0.00  0.00           O  
-ATOM    834  HG  SER    54      41.754  12.044  27.582  0.00  0.00           H  
-ATOM    835  C   SER    54      41.369  14.902  27.342  0.00  0.00           C  
-ATOM    836  O   SER    54      40.273  14.827  26.733  0.00  0.00           O  
-ATOM    837  N   GLY    55      41.521  15.437  28.516  0.00  0.00           N  
-ATOM    838  H   GLY    55      42.487  15.450  28.810  0.00  0.00           H  
-ATOM    839  CA  GLY    55      40.365  15.909  29.342  0.00  0.00           C  
-ATOM    840  HA2 GLY    55      39.702  15.115  29.684  0.00  0.00           H  
-ATOM    841  HA3 GLY    55      40.922  16.362  30.163  0.00  0.00           H  
-ATOM    842  C   GLY    55      39.502  17.010  28.813  0.00  0.00           C  
-ATOM    843  O   GLY    55      38.285  17.052  29.106  0.00  0.00           O  
-ATOM    844  N   TRP    56      40.115  17.883  27.955  0.00  0.00           N  
-ATOM    845  H   TRP    56      41.092  17.762  27.727  0.00  0.00           H  
-ATOM    846  CA  TRP    56      39.402  18.939  27.224  0.00  0.00           C  
-ATOM    847  HA  TRP    56      38.948  19.643  27.922  0.00  0.00           H  
-ATOM    848  CB  TRP    56      40.490  19.736  26.439  0.00  0.00           C  
-ATOM    849  HB2 TRP    56      41.104  20.263  27.169  0.00  0.00           H  
-ATOM    850  HB3 TRP    56      41.192  18.984  26.077  0.00  0.00           H  
-ATOM    851  CG  TRP    56      40.009  20.571  25.325  0.00  0.00           C  
-ATOM    852  CD1 TRP    56      40.763  20.640  24.155  0.00  0.00           C  
-ATOM    853  HD1 TRP    56      41.476  19.880  23.873  0.00  0.00           H  
-ATOM    854  NE1 TRP    56      40.158  21.607  23.383  0.00  0.00           N  
-ATOM    855  HE1 TRP    56      40.404  21.602  22.403  0.00  0.00           H  
-ATOM    856  CE2 TRP    56      39.057  22.195  23.942  0.00  0.00           C  
-ATOM    857  CZ2 TRP    56      38.220  23.245  23.535  0.00  0.00           C  
-ATOM    858  HZ2 TRP    56      38.425  23.785  22.622  0.00  0.00           H  
-ATOM    859  CH2 TRP    56      37.182  23.564  24.419  0.00  0.00           C  
-ATOM    860  HH2 TRP    56      36.463  24.308  24.110  0.00  0.00           H  
-ATOM    861  CZ3 TRP    56      37.023  22.940  25.658  0.00  0.00           C  
-ATOM    862  HZ3 TRP    56      36.131  23.149  26.229  0.00  0.00           H  
-ATOM    863  CE3 TRP    56      37.968  21.984  26.119  0.00  0.00           C  
-ATOM    864  HE3 TRP    56      37.932  21.468  27.067  0.00  0.00           H  
-ATOM    865  CD2 TRP    56      38.965  21.583  25.258  0.00  0.00           C  
-ATOM    866  C   TRP    56      38.242  18.479  26.359  0.00  0.00           C  
-ATOM    867  O   TRP    56      37.226  19.208  26.210  0.00  0.00           O  
-ATOM    868  N   LYS    57      38.221  17.236  25.955  0.00  0.00           N  
-ATOM    869  H   LYS    57      39.042  16.652  26.023  0.00  0.00           H  
-ATOM    870  CA  LYS    57      37.178  16.559  25.196  0.00  0.00           C  
-ATOM    871  HA  LYS    57      36.940  17.203  24.349  0.00  0.00           H  
-ATOM    872  CB  LYS    57      37.688  15.146  24.709  0.00  0.00           C  
-ATOM    873  HB2 LYS    57      38.625  15.247  24.163  0.00  0.00           H  
-ATOM    874  HB3 LYS    57      37.927  14.669  25.660  0.00  0.00           H  
-ATOM    875  CG  LYS    57      36.720  14.249  23.858  0.00  0.00           C  
-ATOM    876  HG2 LYS    57      37.258  13.328  23.631  0.00  0.00           H  
-ATOM    877  HG3 LYS    57      35.865  13.886  24.429  0.00  0.00           H  
-ATOM    878  CD  LYS    57      36.291  14.983  22.549  0.00  0.00           C  
-ATOM    879  HD2 LYS    57      35.447  15.611  22.835  0.00  0.00           H  
-ATOM    880  HD3 LYS    57      37.095  15.569  22.104  0.00  0.00           H  
-ATOM    881  CE  LYS    57      35.856  13.997  21.506  0.00  0.00           C  
-ATOM    882  HE2 LYS    57      35.643  14.454  20.540  0.00  0.00           H  
-ATOM    883  HE3 LYS    57      36.694  13.326  21.325  0.00  0.00           H  
-ATOM    884  NZ  LYS    57      34.701  13.272  22.000  0.00  0.00           N  
-ATOM    885  HZ1 LYS    57      34.253  12.745  21.264  0.00  0.00           H  
-ATOM    886  HZ2 LYS    57      34.882  12.690  22.806  0.00  0.00           H  
-ATOM    887  HZ3 LYS    57      33.950  13.936  22.124  0.00  0.00           H  
-ATOM    888  C   LYS    57      35.910  16.487  25.929  0.00  0.00           C  
-ATOM    889  O   LYS    57      34.884  16.438  25.368  0.00  0.00           O  
-ATOM    890  N   GLN    58      36.020  16.379  27.285  0.00  0.00           N  
-ATOM    891  H   GLN    58      36.904  16.525  27.750  0.00  0.00           H  
-ATOM    892  CA  GLN    58      34.883  16.328  28.190  0.00  0.00           C  
-ATOM    893  HA  GLN    58      34.155  15.624  27.787  0.00  0.00           H  
-ATOM    894  CB  GLN    58      35.278  15.899  29.632  0.00  0.00           C  
-ATOM    895  HB2 GLN    58      35.843  16.703  30.104  0.00  0.00           H  
-ATOM    896  HB3 GLN    58      34.424  15.877  30.310  0.00  0.00           H  
-ATOM    897  CG  GLN    58      36.061  14.631  29.757  0.00  0.00           C  
-ATOM    898  HG2 GLN    58      35.580  13.930  29.075  0.00  0.00           H  
-ATOM    899  HG3 GLN    58      37.077  14.773  29.389  0.00  0.00           H  
-ATOM    900  CD  GLN    58      36.155  13.971  31.124  0.00  0.00           C  
-ATOM    901  OE1 GLN    58      36.030  14.613  32.144  0.00  0.00           O  
-ATOM    902  NE2 GLN    58      36.281  12.643  31.280  0.00  0.00           N  
-ATOM    903 HE21 GLN    58      36.358  12.118  30.421  0.00  0.00           H  
-ATOM    904 HE22 GLN    58      36.173  12.243  32.201  0.00  0.00           H  
-ATOM    905  C   GLN    58      34.131  17.658  28.147  0.00  0.00           C  
-ATOM    906  O   GLN    58      32.893  17.513  28.047  0.00  0.00           O  
-ATOM    907  N   GLU    59      34.772  18.819  28.177  0.00  0.00           N  
-ATOM    908  H   GLU    59      35.776  18.933  28.181  0.00  0.00           H  
-ATOM    909  CA  GLU    59      33.986  19.991  27.840  0.00  0.00           C  
-ATOM    910  HA  GLU    59      33.070  19.901  28.424  0.00  0.00           H  
-ATOM    911  CB  GLU    59      34.728  21.290  28.348  0.00  0.00           C  
-ATOM    912  HB2 GLU    59      34.933  21.141  29.409  0.00  0.00           H  
-ATOM    913  HB3 GLU    59      35.648  21.488  27.798  0.00  0.00           H  
-ATOM    914  CG  GLU    59      33.921  22.649  28.127  0.00  0.00           C  
-ATOM    915  HG2 GLU    59      33.781  22.824  27.060  0.00  0.00           H  
-ATOM    916  HG3 GLU    59      32.975  22.635  28.668  0.00  0.00           H  
-ATOM    917  CD  GLU    59      34.685  23.867  28.602  0.00  0.00           C  
-ATOM    918  OE1 GLU    59      35.885  23.721  29.002  0.00  0.00           O  
-ATOM    919  OE2 GLU    59      34.113  24.979  28.696  0.00  0.00           O  
-ATOM    920  C   GLU    59      33.495  20.137  26.371  0.00  0.00           C  
-ATOM    921  O   GLU    59      32.360  20.687  26.139  0.00  0.00           O  
-ATOM    922  N   ILE    60      34.274  19.632  25.355  0.00  0.00           N  
-ATOM    923  H   ILE    60      35.224  19.396  25.601  0.00  0.00           H  
-ATOM    924  CA  ILE    60      33.906  19.809  23.888  0.00  0.00           C  
-ATOM    925  HA  ILE    60      33.751  20.835  23.555  0.00  0.00           H  
-ATOM    926  CB  ILE    60      35.107  19.219  23.039  0.00  0.00           C  
-ATOM    927  HB  ILE    60      35.388  18.345  23.628  0.00  0.00           H  
-ATOM    928  CG2 ILE    60      34.592  18.746  21.666  0.00  0.00           C  
-ATOM    929 HG21 ILE    60      34.000  19.498  21.146  0.00  0.00           H  
-ATOM    930 HG22 ILE    60      35.447  18.392  21.089  0.00  0.00           H  
-ATOM    931 HG23 ILE    60      33.930  17.889  21.786  0.00  0.00           H  
-ATOM    932  CG1 ILE    60      36.239  20.256  22.924  0.00  0.00           C  
-ATOM    933 HG12 ILE    60      36.062  21.016  22.163  0.00  0.00           H  
-ATOM    934 HG13 ILE    60      36.216  20.708  23.916  0.00  0.00           H  
-ATOM    935  CD1 ILE    60      37.532  19.493  22.597  0.00  0.00           C  
-ATOM    936 HD11 ILE    60      38.017  19.130  23.503  0.00  0.00           H  
-ATOM    937 HD12 ILE    60      37.290  18.546  22.115  0.00  0.00           H  
-ATOM    938 HD13 ILE    60      38.185  20.138  22.009  0.00  0.00           H  
-ATOM    939  C   ILE    60      32.543  19.142  23.705  0.00  0.00           C  
-ATOM    940  O   ILE    60      31.665  19.593  23.019  0.00  0.00           O  
-ATOM    941  N   ASP    61      32.410  17.899  24.147  0.00  0.00           N  
-ATOM    942  H   ASP    61      33.237  17.546  24.607  0.00  0.00           H  
-ATOM    943  CA  ASP    61      31.203  17.158  23.951  0.00  0.00           C  
-ATOM    944  HA  ASP    61      30.960  17.259  22.893  0.00  0.00           H  
-ATOM    945  CB  ASP    61      31.420  15.691  24.252  0.00  0.00           C  
-ATOM    946  HB2 ASP    61      31.745  15.580  25.287  0.00  0.00           H  
-ATOM    947  HB3 ASP    61      30.475  15.153  24.184  0.00  0.00           H  
-ATOM    948  CG  ASP    61      32.361  14.857  23.378  0.00  0.00           C  
-ATOM    949  OD1 ASP    61      32.832  13.842  23.973  0.00  0.00           O  
-ATOM    950  OD2 ASP    61      32.673  15.188  22.191  0.00  0.00           O  
-ATOM    951  C   ASP    61      30.019  17.699  24.821  0.00  0.00           C  
-ATOM    952  O   ASP    61      28.933  17.821  24.375  0.00  0.00           O  
-ATOM    953  N   ILE    62      30.219  18.260  26.010  0.00  0.00           N  
-ATOM    954  H   ILE    62      31.183  18.239  26.312  0.00  0.00           H  
-ATOM    955  CA  ILE    62      29.149  18.747  26.893  0.00  0.00           C  
-ATOM    956  HA  ILE    62      28.335  18.022  26.891  0.00  0.00           H  
-ATOM    957  CB  ILE    62      29.698  18.947  28.368  0.00  0.00           C  
-ATOM    958  HB  ILE    62      30.731  19.294  28.336  0.00  0.00           H  
-ATOM    959  CG2 ILE    62      28.869  19.914  29.143  0.00  0.00           C  
-ATOM    960 HG21 ILE    62      29.036  20.940  28.816  0.00  0.00           H  
-ATOM    961 HG22 ILE    62      27.806  19.702  29.028  0.00  0.00           H  
-ATOM    962 HG23 ILE    62      29.110  19.853  30.204  0.00  0.00           H  
-ATOM    963  CG1 ILE    62      29.844  17.551  29.081  0.00  0.00           C  
-ATOM    964 HG12 ILE    62      28.965  16.907  29.082  0.00  0.00           H  
-ATOM    965 HG13 ILE    62      30.560  16.936  28.535  0.00  0.00           H  
-ATOM    966  CD1 ILE    62      30.424  17.565  30.472  0.00  0.00           C  
-ATOM    967 HD11 ILE    62      29.943  18.164  31.246  0.00  0.00           H  
-ATOM    968 HD12 ILE    62      30.393  16.528  30.806  0.00  0.00           H  
-ATOM    969 HD13 ILE    62      31.445  17.946  30.436  0.00  0.00           H  
-ATOM    970  C   ILE    62      28.634  20.078  26.248  0.00  0.00           C  
-ATOM    971  O   ILE    62      27.419  20.143  25.884  0.00  0.00           O  
-ATOM    972  N   LEU    63      29.464  21.058  25.805  0.00  0.00           N  
-ATOM    973  H   LEU    63      30.468  20.954  25.844  0.00  0.00           H  
-ATOM    974  CA  LEU    63      29.004  22.312  25.239  0.00  0.00           C  
-ATOM    975  HA  LEU    63      28.198  22.610  25.911  0.00  0.00           H  
-ATOM    976  CB  LEU    63      30.166  23.315  25.275  0.00  0.00           C  
-ATOM    977  HB2 LEU    63      30.519  23.302  26.307  0.00  0.00           H  
-ATOM    978  HB3 LEU    63      30.956  23.051  24.573  0.00  0.00           H  
-ATOM    979  CG  LEU    63      29.701  24.752  24.810  0.00  0.00           C  
-ATOM    980  HG  LEU    63      28.675  24.674  25.167  0.00  0.00           H  
-ATOM    981  CD1 LEU    63      30.590  25.722  25.563  0.00  0.00           C  
-ATOM    982 HD11 LEU    63      30.288  25.741  26.610  0.00  0.00           H  
-ATOM    983 HD12 LEU    63      31.639  25.434  25.493  0.00  0.00           H  
-ATOM    984 HD13 LEU    63      30.296  26.680  25.132  0.00  0.00           H  
-ATOM    985  CD2 LEU    63      29.693  25.049  23.317  0.00  0.00           C  
-ATOM    986 HD21 LEU    63      30.708  25.029  22.920  0.00  0.00           H  
-ATOM    987 HD22 LEU    63      29.378  24.216  22.689  0.00  0.00           H  
-ATOM    988 HD23 LEU    63      29.091  25.925  23.078  0.00  0.00           H  
-ATOM    989  C   LEU    63      28.327  22.011  23.866  0.00  0.00           C  
-ATOM    990  O   LEU    63      27.347  22.711  23.499  0.00  0.00           O  
-ATOM    991  N   ARG    64      28.708  20.964  23.123  0.00  0.00           N  
-ATOM    992  H   ARG    64      29.529  20.442  23.394  0.00  0.00           H  
-ATOM    993  CA  ARG    64      28.060  20.543  21.876  0.00  0.00           C  
-ATOM    994  HA  ARG    64      27.971  21.406  21.216  0.00  0.00           H  
-ATOM    995  CB  ARG    64      28.972  19.500  21.098  0.00  0.00           C  
-ATOM    996  HB2 ARG    64      29.974  19.890  20.914  0.00  0.00           H  
-ATOM    997  HB3 ARG    64      29.056  18.619  21.734  0.00  0.00           H  
-ATOM    998  CG  ARG    64      28.280  19.242  19.703  0.00  0.00           C  
-ATOM    999  HG2 ARG    64      27.251  18.894  19.792  0.00  0.00           H  
-ATOM   1000  HG3 ARG    64      28.116  20.182  19.176  0.00  0.00           H  
-ATOM   1001  CD  ARG    64      29.149  18.236  18.956  0.00  0.00           C  
-ATOM   1002  HD2 ARG    64      28.987  18.379  17.887  0.00  0.00           H  
-ATOM   1003  HD3 ARG    64      30.185  18.573  18.971  0.00  0.00           H  
-ATOM   1004  NE  ARG    64      28.927  16.943  19.495  0.00  0.00           N  
-ATOM   1005  HE  ARG    64      28.005  16.539  19.577  0.00  0.00           H  
-ATOM   1006  CZ  ARG    64      29.892  16.247  20.110  0.00  0.00           C  
-ATOM   1007  NH1 ARG    64      31.175  16.636  20.231  0.00  0.00           N  
-ATOM   1008 HH11 ARG    64      31.518  17.381  19.642  0.00  0.00           H  
-ATOM   1009 HH12 ARG    64      31.762  16.171  20.909  0.00  0.00           H  
-ATOM   1010  NH2 ARG    64      29.638  15.063  20.692  0.00  0.00           N  
-ATOM   1011 HH21 ARG    64      28.689  14.716  20.697  0.00  0.00           H  
-ATOM   1012 HH22 ARG    64      30.401  14.418  20.839  0.00  0.00           H  
-ATOM   1013  C   ARG    64      26.664  19.950  22.226  0.00  0.00           C  
-ATOM   1014  O   ARG    64      25.706  20.223  21.488  0.00  0.00           O  
-ATOM   1015  N   THR    65      26.550  19.151  23.307  0.00  0.00           N  
-ATOM   1016  H   THR    65      27.328  18.830  23.866  0.00  0.00           H  
-ATOM   1017  CA  THR    65      25.274  18.456  23.694  0.00  0.00           C  
-ATOM   1018  HA  THR    65      24.636  18.396  22.812  0.00  0.00           H  
-ATOM   1019  CB  THR    65      25.519  16.997  24.102  0.00  0.00           C  
-ATOM   1020  HB  THR    65      24.540  16.549  24.277  0.00  0.00           H  
-ATOM   1021  CG2 THR    65      26.180  16.247  22.904  0.00  0.00           C  
-ATOM   1022 HG21 THR    65      27.189  16.622  22.728  0.00  0.00           H  
-ATOM   1023 HG22 THR    65      26.309  15.184  23.104  0.00  0.00           H  
-ATOM   1024 HG23 THR    65      25.482  16.389  22.079  0.00  0.00           H  
-ATOM   1025  OG1 THR    65      26.245  16.964  25.346  0.00  0.00           O  
-ATOM   1026  HG1 THR    65      27.081  17.429  25.263  0.00  0.00           H  
-ATOM   1027  C   THR    65      24.241  19.116  24.615  0.00  0.00           C  
-ATOM   1028  O   THR    65      23.135  18.617  24.691  0.00  0.00           O  
-ATOM   1029  N   LEU    66      24.634  20.200  25.288  0.00  0.00           N  
-ATOM   1030  H   LEU    66      25.595  20.510  25.293  0.00  0.00           H  
-ATOM   1031  CA  LEU    66      23.650  21.075  25.949  0.00  0.00           C  
-ATOM   1032  HA  LEU    66      22.850  20.524  26.442  0.00  0.00           H  
-ATOM   1033  CB  LEU    66      24.307  21.950  27.022  0.00  0.00           C  
-ATOM   1034  HB2 LEU    66      24.917  22.648  26.449  0.00  0.00           H  
-ATOM   1035  HB3 LEU    66      23.482  22.535  27.426  0.00  0.00           H  
-ATOM   1036  CG  LEU    66      25.175  21.405  28.193  0.00  0.00           C  
-ATOM   1037  HG  LEU    66      25.976  20.820  27.740  0.00  0.00           H  
-ATOM   1038  CD1 LEU    66      25.595  22.497  29.120  0.00  0.00           C  
-ATOM   1039 HD11 LEU    66      24.748  23.176  29.222  0.00  0.00           H  
-ATOM   1040 HD12 LEU    66      25.837  22.035  30.077  0.00  0.00           H  
-ATOM   1041 HD13 LEU    66      26.351  23.176  28.726  0.00  0.00           H  
-ATOM   1042  CD2 LEU    66      24.331  20.292  28.841  0.00  0.00           C  
-ATOM   1043 HD21 LEU    66      23.384  20.715  29.176  0.00  0.00           H  
-ATOM   1044 HD22 LEU    66      24.202  19.424  28.193  0.00  0.00           H  
-ATOM   1045 HD23 LEU    66      24.806  19.953  29.761  0.00  0.00           H  
-ATOM   1046  C   LEU    66      22.785  21.857  24.857  0.00  0.00           C  
-ATOM   1047  O   LEU    66      23.046  21.988  23.669  0.00  0.00           O  
-ATOM   1048  N   TYR    67      21.639  22.460  25.258  0.00  0.00           N  
-ATOM   1049  H   TYR    67      21.348  22.183  26.185  0.00  0.00           H  
-ATOM   1050  CA  TYR    67      20.838  23.328  24.442  0.00  0.00           C  
-ATOM   1051  HA  TYR    67      21.487  23.964  23.840  0.00  0.00           H  
-ATOM   1052  CB  TYR    67      20.129  22.456  23.403  0.00  0.00           C  
-ATOM   1053  HB2 TYR    67      20.862  21.928  22.793  0.00  0.00           H  
-ATOM   1054  HB3 TYR    67      19.503  21.671  23.826  0.00  0.00           H  
-ATOM   1055  CG  TYR    67      19.236  23.224  22.427  0.00  0.00           C  
-ATOM   1056  CD1 TYR    67      19.854  24.006  21.368  0.00  0.00           C  
-ATOM   1057  HD1 TYR    67      20.931  24.073  21.317  0.00  0.00           H  
-ATOM   1058  CE1 TYR    67      19.068  24.545  20.309  0.00  0.00           C  
-ATOM   1059  HE1 TYR    67      19.477  25.026  19.433  0.00  0.00           H  
-ATOM   1060  CZ  TYR    67      17.668  24.422  20.360  0.00  0.00           C  
-ATOM   1061  OH  TYR    67      16.974  24.896  19.326  0.00  0.00           O  
-ATOM   1062  HH  TYR    67      16.084  24.557  19.210  0.00  0.00           H  
-ATOM   1063  CE2 TYR    67      17.014  23.807  21.480  0.00  0.00           C  
-ATOM   1064  HE2 TYR    67      15.946  23.683  21.588  0.00  0.00           H  
-ATOM   1065  CD2 TYR    67      17.882  23.078  22.376  0.00  0.00           C  
-ATOM   1066  HD2 TYR    67      17.433  22.626  23.248  0.00  0.00           H  
-ATOM   1067  C   TYR    67      19.821  24.109  25.289  0.00  0.00           C  
-ATOM   1068  O   TYR    67      18.753  23.570  25.618  0.00  0.00           O  
-ATOM   1069  N   HIE    68      20.091  25.386  25.552  0.00  0.00           N  
-ATOM   1070  H   HIE    68      20.951  25.663  25.101  0.00  0.00           H  
-ATOM   1071  CA  HIE    68      19.122  26.288  26.259  0.00  0.00           C  
-ATOM   1072  HA  HIE    68      18.104  25.982  26.020  0.00  0.00           H  
-ATOM   1073  CB  HIE    68      19.245  26.060  27.775  0.00  0.00           C  
-ATOM   1074  HB2 HIE    68      19.275  24.994  28.000  0.00  0.00           H  
-ATOM   1075  HB3 HIE    68      20.243  26.446  27.981  0.00  0.00           H  
-ATOM   1076  CG  HIE    68      18.252  26.809  28.577  0.00  0.00           C  
-ATOM   1077  ND1 HIE    68      18.320  28.037  29.220  0.00  0.00           N  
-ATOM   1078  CE1 HIE    68      17.220  28.193  29.952  0.00  0.00           C  
-ATOM   1079  HE1 HIE    68      17.053  28.969  30.684  0.00  0.00           H  
-ATOM   1080  NE2 HIE    68      16.369  27.174  29.734  0.00  0.00           N  
-ATOM   1081  HE2 HIE    68      15.485  27.067  30.211  0.00  0.00           H  
-ATOM   1082  CD2 HIE    68      17.045  26.326  28.862  0.00  0.00           C  
-ATOM   1083  HD2 HIE    68      16.718  25.349  28.541  0.00  0.00           H  
-ATOM   1084  C   HIE    68      19.413  27.737  25.874  0.00  0.00           C  
-ATOM   1085  O   HIE    68      20.564  28.111  25.615  0.00  0.00           O  
-ATOM   1086  N   GLU    69      18.433  28.624  26.028  0.00  0.00           N  
-ATOM   1087  H   GLU    69      17.536  28.214  26.248  0.00  0.00           H  
-ATOM   1088  CA  GLU    69      18.549  30.017  25.634  0.00  0.00           C  
-ATOM   1089  HA  GLU    69      19.068  30.083  24.678  0.00  0.00           H  
-ATOM   1090  CB  GLU    69      17.106  30.519  25.365  0.00  0.00           C  
-ATOM   1091  HB2 GLU    69      16.679  30.649  26.360  0.00  0.00           H  
-ATOM   1092  HB3 GLU    69      17.122  31.517  24.928  0.00  0.00           H  
-ATOM   1093  CG  GLU    69      16.124  29.642  24.632  0.00  0.00           C  
-ATOM   1094  HG2 GLU    69      15.275  30.253  24.325  0.00  0.00           H  
-ATOM   1095  HG3 GLU    69      16.508  29.334  23.659  0.00  0.00           H  
-ATOM   1096  CD  GLU    69      15.634  28.436  25.484  0.00  0.00           C  
-ATOM   1097  OE1 GLU    69      15.967  27.323  25.076  0.00  0.00           O  
-ATOM   1098  OE2 GLU    69      14.780  28.707  26.396  0.00  0.00           O  
-ATOM   1099  C   GLU    69      19.357  30.925  26.638  0.00  0.00           C  
-ATOM   1100  O   GLU    69      19.879  31.998  26.294  0.00  0.00           O  
-ATOM   1101  N   HID    70      19.666  30.340  27.843  0.00  0.00           N  
-ATOM   1102  H   HID    70      19.061  29.603  28.175  0.00  0.00           H  
-ATOM   1103  CA  HID    70      20.492  30.921  28.854  0.00  0.00           C  
-ATOM   1104  HA  HID    70      20.740  31.934  28.539  0.00  0.00           H  
-ATOM   1105  CB  HID    70      19.743  31.181  30.148  0.00  0.00           C  
-ATOM   1106  HB2 HID    70      19.407  30.171  30.384  0.00  0.00           H  
-ATOM   1107  HB3 HID    70      20.500  31.501  30.863  0.00  0.00           H  
-ATOM   1108  CG  HID    70      18.612  32.223  30.024  0.00  0.00           C  
-ATOM   1109  ND1 HID    70      18.743  33.557  29.626  0.00  0.00           N  
-ATOM   1110  HD1 HID    70      19.617  33.982  29.352  0.00  0.00           H  
-ATOM   1111  CE1 HID    70      17.519  34.134  29.828  0.00  0.00           C  
-ATOM   1112  HE1 HID    70      17.355  35.189  29.668  0.00  0.00           H  
-ATOM   1113  NE2 HID    70      16.590  33.131  30.128  0.00  0.00           N  
-ATOM   1114  CD2 HID    70      17.329  31.958  30.291  0.00  0.00           C  
-ATOM   1115  HD2 HID    70      16.935  30.963  30.440  0.00  0.00           H  
-ATOM   1116  C   HID    70      21.809  30.188  29.033  0.00  0.00           C  
-ATOM   1117  O   HID    70      22.522  30.432  30.056  0.00  0.00           O  
-ATOM   1118  N   ILE    71      22.236  29.317  28.092  0.00  0.00           N  
-ATOM   1119  H   ILE    71      21.677  28.945  27.338  0.00  0.00           H  
-ATOM   1120  CA  ILE    71      23.602  28.694  28.099  0.00  0.00           C  
-ATOM   1121  HA  ILE    71      24.212  29.290  28.777  0.00  0.00           H  
-ATOM   1122  CB  ILE    71      23.500  27.234  28.549  0.00  0.00           C  
-ATOM   1123  HB  ILE    71      22.792  26.781  27.855  0.00  0.00           H  
-ATOM   1124  CG2 ILE    71      24.832  26.641  28.209  0.00  0.00           C  
-ATOM   1125 HG21 ILE    71      25.645  27.100  28.771  0.00  0.00           H  
-ATOM   1126 HG22 ILE    71      24.856  25.587  28.485  0.00  0.00           H  
-ATOM   1127 HG23 ILE    71      25.067  26.515  27.153  0.00  0.00           H  
-ATOM   1128  CG1 ILE    71      23.014  27.004  30.026  0.00  0.00           C  
-ATOM   1129 HG12 ILE    71      23.710  27.545  30.666  0.00  0.00           H  
-ATOM   1130 HG13 ILE    71      21.982  27.340  30.124  0.00  0.00           H  
-ATOM   1131  CD1 ILE    71      22.989  25.528  30.397  0.00  0.00           C  
-ATOM   1132 HD11 ILE    71      22.284  25.250  31.181  0.00  0.00           H  
-ATOM   1133 HD12 ILE    71      22.665  24.896  29.570  0.00  0.00           H  
-ATOM   1134 HD13 ILE    71      23.914  25.159  30.840  0.00  0.00           H  
-ATOM   1135  C   ILE    71      24.219  28.964  26.651  0.00  0.00           C  
-ATOM   1136  O   ILE    71      23.562  28.846  25.619  0.00  0.00           O  
-ATOM   1137  N   ILE    72      25.561  29.382  26.597  0.00  0.00           N  
-ATOM   1138  H   ILE    72      26.098  29.443  27.450  0.00  0.00           H  
-ATOM   1139  CA  ILE    72      26.299  29.565  25.382  0.00  0.00           C  
-ATOM   1140  HA  ILE    72      25.854  30.399  24.840  0.00  0.00           H  
-ATOM   1141  CB  ILE    72      27.740  30.000  25.837  0.00  0.00           C  
-ATOM   1142  HB  ILE    72      27.579  30.878  26.461  0.00  0.00           H  
-ATOM   1143  CG2 ILE    72      28.532  28.885  26.461  0.00  0.00           C  
-ATOM   1144 HG21 ILE    72      29.450  29.360  26.808  0.00  0.00           H  
-ATOM   1145 HG22 ILE    72      27.897  28.534  27.274  0.00  0.00           H  
-ATOM   1146 HG23 ILE    72      28.694  27.978  25.878  0.00  0.00           H  
-ATOM   1147  CG1 ILE    72      28.528  30.546  24.659  0.00  0.00           C  
-ATOM   1148 HG12 ILE    72      28.811  29.727  23.997  0.00  0.00           H  
-ATOM   1149 HG13 ILE    72      27.916  31.275  24.128  0.00  0.00           H  
-ATOM   1150  CD1 ILE    72      29.824  31.217  25.041  0.00  0.00           C  
-ATOM   1151 HD11 ILE    72      30.485  30.368  25.214  0.00  0.00           H  
-ATOM   1152 HD12 ILE    72      30.116  31.818  24.180  0.00  0.00           H  
-ATOM   1153 HD13 ILE    72      29.672  31.819  25.937  0.00  0.00           H  
-ATOM   1154  C   ILE    72      26.239  28.327  24.469  0.00  0.00           C  
-ATOM   1155  O   ILE    72      26.532  27.196  24.911  0.00  0.00           O  
-ATOM   1156  N   LYS    73      25.844  28.509  23.230  0.00  0.00           N  
-ATOM   1157  H   LYS    73      25.696  29.454  22.908  0.00  0.00           H  
-ATOM   1158  CA  LYS    73      25.664  27.474  22.262  0.00  0.00           C  
-ATOM   1159  HA  LYS    73      25.415  26.550  22.784  0.00  0.00           H  
-ATOM   1160  CB  LYS    73      24.505  27.837  21.300  0.00  0.00           C  
-ATOM   1161  HB2 LYS    73      24.603  28.887  21.024  0.00  0.00           H  
-ATOM   1162  HB3 LYS    73      24.673  27.255  20.394  0.00  0.00           H  
-ATOM   1163  CG  LYS    73      23.190  27.408  21.995  0.00  0.00           C  
-ATOM   1164  HG2 LYS    73      23.077  26.362  22.281  0.00  0.00           H  
-ATOM   1165  HG3 LYS    73      23.129  28.010  22.902  0.00  0.00           H  
-ATOM   1166  CD  LYS    73      21.980  27.807  21.230  0.00  0.00           C  
-ATOM   1167  HD2 LYS    73      22.052  28.882  21.060  0.00  0.00           H  
-ATOM   1168  HD3 LYS    73      22.017  27.264  20.285  0.00  0.00           H  
-ATOM   1169  CE  LYS    73      20.704  27.609  22.002  0.00  0.00           C  
-ATOM   1170  HE2 LYS    73      20.575  26.529  22.073  0.00  0.00           H  
-ATOM   1171  HE3 LYS    73      20.792  28.022  23.007  0.00  0.00           H  
-ATOM   1172  NZ  LYS    73      19.487  28.181  21.315  0.00  0.00           N  
-ATOM   1173  HZ1 LYS    73      19.501  27.989  20.323  0.00  0.00           H  
-ATOM   1174  HZ2 LYS    73      18.603  27.854  21.677  0.00  0.00           H  
-ATOM   1175  HZ3 LYS    73      19.493  29.188  21.389  0.00  0.00           H  
-ATOM   1176  C   LYS    73      26.932  27.225  21.439  0.00  0.00           C  
-ATOM   1177  O   LYS    73      27.607  28.205  21.153  0.00  0.00           O  
-ATOM   1178  N   TYR    74      27.128  25.994  21.015  0.00  0.00           N  
-ATOM   1179  H   TYR    74      26.400  25.340  21.265  0.00  0.00           H  
-ATOM   1180  CA  TYR    74      28.092  25.474  20.070  0.00  0.00           C  
-ATOM   1181  HA  TYR    74      29.116  25.453  20.442  0.00  0.00           H  
-ATOM   1182  CB  TYR    74      27.718  24.023  19.853  0.00  0.00           C  
-ATOM   1183  HB2 TYR    74      27.745  23.529  20.824  0.00  0.00           H  
-ATOM   1184  HB3 TYR    74      26.693  24.054  19.484  0.00  0.00           H  
-ATOM   1185  CG  TYR    74      28.538  23.083  18.966  0.00  0.00           C  
-ATOM   1186  CD1 TYR    74      29.757  22.624  19.417  0.00  0.00           C  
-ATOM   1187  HD1 TYR    74      30.329  22.976  20.263  0.00  0.00           H  
-ATOM   1188  CE1 TYR    74      30.485  21.628  18.643  0.00  0.00           C  
-ATOM   1189  HE1 TYR    74      31.456  21.194  18.830  0.00  0.00           H  
-ATOM   1190  CZ  TYR    74      29.952  21.194  17.401  0.00  0.00           C  
-ATOM   1191  OH  TYR    74      30.607  20.233  16.666  0.00  0.00           O  
-ATOM   1192  HH  TYR    74      30.332  19.999  15.777  0.00  0.00           H  
-ATOM   1193  CE2 TYR    74      28.721  21.801  16.894  0.00  0.00           C  
-ATOM   1194  HE2 TYR    74      28.231  21.556  15.964  0.00  0.00           H  
-ATOM   1195  CD2 TYR    74      27.979  22.636  17.755  0.00  0.00           C  
-ATOM   1196  HD2 TYR    74      27.077  23.086  17.369  0.00  0.00           H  
-ATOM   1197  C   TYR    74      28.025  26.141  18.658  0.00  0.00           C  
-ATOM   1198  O   TYR    74      26.961  26.486  18.153  0.00  0.00           O  
-ATOM   1199  N   LYS    75      29.144  26.018  17.936  0.00  0.00           N  
-ATOM   1200  H   LYS    75      29.911  25.835  18.568  0.00  0.00           H  
-ATOM   1201  CA  LYS    75      29.284  26.354  16.516  0.00  0.00           C  
-ATOM   1202  HA  LYS    75      28.322  26.193  16.028  0.00  0.00           H  
-ATOM   1203  CB  LYS    75      29.828  27.842  16.414  0.00  0.00           C  
-ATOM   1204  HB2 LYS    75      30.839  27.907  16.818  0.00  0.00           H  
-ATOM   1205  HB3 LYS    75      30.024  28.039  15.360  0.00  0.00           H  
-ATOM   1206  CG  LYS    75      28.907  28.944  17.009  0.00  0.00           C  
-ATOM   1207  HG2 LYS    75      28.792  28.723  18.070  0.00  0.00           H  
-ATOM   1208  HG3 LYS    75      29.475  29.874  17.037  0.00  0.00           H  
-ATOM   1209  CD  LYS    75      27.631  29.173  16.178  0.00  0.00           C  
-ATOM   1210  HD2 LYS    75      27.935  29.795  15.336  0.00  0.00           H  
-ATOM   1211  HD3 LYS    75      27.230  28.263  15.731  0.00  0.00           H  
-ATOM   1212  CE  LYS    75      26.542  29.935  16.881  0.00  0.00           C  
-ATOM   1213  HE2 LYS    75      26.256  29.404  17.788  0.00  0.00           H  
-ATOM   1214  HE3 LYS    75      26.857  30.946  17.138  0.00  0.00           H  
-ATOM   1215  NZ  LYS    75      25.323  29.947  16.101  0.00  0.00           N  
-ATOM   1216  HZ1 LYS    75      25.332  30.639  15.366  0.00  0.00           H  
-ATOM   1217  HZ2 LYS    75      25.179  29.072  15.617  0.00  0.00           H  
-ATOM   1218  HZ3 LYS    75      24.467  30.121  16.608  0.00  0.00           H  
-ATOM   1219  C   LYS    75      30.338  25.485  15.803  0.00  0.00           C  
-ATOM   1220  O   LYS    75      30.324  25.538  14.570  0.00  0.00           O  
-ATOM   1221  N   GLY    76      31.166  24.753  16.503  0.00  0.00           N  
-ATOM   1222  H   GLY    76      31.163  24.794  17.512  0.00  0.00           H  
-ATOM   1223  CA  GLY    76      32.019  23.781  15.782  0.00  0.00           C  
-ATOM   1224  HA2 GLY    76      31.356  22.982  15.448  0.00  0.00           H  
-ATOM   1225  HA3 GLY    76      32.549  24.304  14.986  0.00  0.00           H  
-ATOM   1226  C   GLY    76      33.096  23.192  16.608  0.00  0.00           C  
-ATOM   1227  O   GLY    76      33.474  23.771  17.615  0.00  0.00           O  
-ATOM   1228  N   CYS    77      33.622  22.007  16.213  0.00  0.00           N  
-ATOM   1229  H   CYS    77      33.198  21.453  15.483  0.00  0.00           H  
-ATOM   1230  CA  CYS    77      34.926  21.609  16.602  0.00  0.00           C  
-ATOM   1231  HA  CYS    77      35.385  22.419  17.168  0.00  0.00           H  
-ATOM   1232  CB  CYS    77      34.769  20.406  17.523  0.00  0.00           C  
-ATOM   1233  HB2 CYS    77      34.053  20.537  18.334  0.00  0.00           H  
-ATOM   1234  HB3 CYS    77      34.523  19.560  16.880  0.00  0.00           H  
-ATOM   1235  SG  CYS    77      36.291  20.295  18.363  0.00  0.00           S  
-ATOM   1236  HG  CYS    77      35.943  19.531  19.403  0.00  0.00           H  
-ATOM   1237  C   CYS    77      35.906  21.319  15.441  0.00  0.00           C  
-ATOM   1238  O   CYS    77      35.438  20.832  14.444  0.00  0.00           O  
-ATOM   1239  N   CYS    78      37.174  21.776  15.539  0.00  0.00           N  
-ATOM   1240  H   CYS    78      37.447  22.149  16.436  0.00  0.00           H  
-ATOM   1241  CA  CYS    78      38.219  21.754  14.534  0.00  0.00           C  
-ATOM   1242  HA  CYS    78      37.975  21.061  13.729  0.00  0.00           H  
-ATOM   1243  CB  CYS    78      38.209  23.082  13.772  0.00  0.00           C  
-ATOM   1244  HB2 CYS    78      39.084  23.055  13.123  0.00  0.00           H  
-ATOM   1245  HB3 CYS    78      37.332  22.978  13.133  0.00  0.00           H  
-ATOM   1246  SG  CYS    78      38.015  24.672  14.702  0.00  0.00           S  
-ATOM   1247  HG  CYS    78      36.734  24.521  15.050  0.00  0.00           H  
-ATOM   1248  C   CYS    78      39.609  21.439  14.994  0.00  0.00           C  
-ATOM   1249  O   CYS    78      40.018  21.902  16.036  0.00  0.00           O  
-ATOM   1250  N   GLU    79      40.387  20.614  14.213  0.00  0.00           N  
-ATOM   1251  H   GLU    79      39.907  20.117  13.476  0.00  0.00           H  
-ATOM   1252  CA  GLU    79      41.800  20.235  14.492  0.00  0.00           C  
-ATOM   1253  HA  GLU    79      42.154  20.627  15.446  0.00  0.00           H  
-ATOM   1254  CB  GLU    79      41.982  18.664  14.441  0.00  0.00           C  
-ATOM   1255  HB2 GLU    79      41.420  18.159  15.227  0.00  0.00           H  
-ATOM   1256  HB3 GLU    79      41.476  18.357  13.526  0.00  0.00           H  
-ATOM   1257  CG  GLU    79      43.440  18.126  14.383  0.00  0.00           C  
-ATOM   1258  HG2 GLU    79      43.928  18.452  13.465  0.00  0.00           H  
-ATOM   1259  HG3 GLU    79      43.913  18.521  15.282  0.00  0.00           H  
-ATOM   1260  CD  GLU    79      43.488  16.590  14.380  0.00  0.00           C  
-ATOM   1261  OE1 GLU    79      44.618  16.037  14.357  0.00  0.00           O  
-ATOM   1262  OE2 GLU    79      42.472  15.916  14.252  0.00  0.00           O  
-ATOM   1263  C   GLU    79      42.755  20.823  13.396  0.00  0.00           C  
-ATOM   1264  O   GLU    79      42.430  20.874  12.196  0.00  0.00           O  
-ATOM   1265  N   ASP    80      43.991  21.177  13.859  0.00  0.00           N  
-ATOM   1266  H   ASP    80      44.133  20.998  14.843  0.00  0.00           H  
-ATOM   1267  CA  ASP    80      45.072  21.937  13.183  0.00  0.00           C  
-ATOM   1268  HA  ASP    80      45.096  21.528  12.173  0.00  0.00           H  
-ATOM   1269  CB  ASP    80      44.734  23.409  13.263  0.00  0.00           C  
-ATOM   1270  HB2 ASP    80      43.757  23.631  12.833  0.00  0.00           H  
-ATOM   1271  HB3 ASP    80      44.763  23.679  14.319  0.00  0.00           H  
-ATOM   1272  CG  ASP    80      45.663  24.478  12.555  0.00  0.00           C  
-ATOM   1273  OD1 ASP    80      46.294  24.187  11.530  0.00  0.00           O  
-ATOM   1274  OD2 ASP    80      45.714  25.622  13.050  0.00  0.00           O  
-ATOM   1275  C   ASP    80      46.423  21.672  13.851  0.00  0.00           C  
-ATOM   1276  O   ASP    80      46.459  21.326  15.048  0.00  0.00           O  
-ATOM   1277  N   GLN    81      47.490  21.990  13.199  0.00  0.00           N  
-ATOM   1278  H   GLN    81      47.354  22.196  12.220  0.00  0.00           H  
-ATOM   1279  CA  GLN    81      48.802  22.033  13.799  0.00  0.00           C  
-ATOM   1280  HA  GLN    81      48.930  21.164  14.445  0.00  0.00           H  
-ATOM   1281  CB  GLN    81      49.788  22.266  12.693  0.00  0.00           C  
-ATOM   1282  HB2 GLN    81      49.594  23.310  12.449  0.00  0.00           H  
-ATOM   1283  HB3 GLN    81      50.775  22.281  13.154  0.00  0.00           H  
-ATOM   1284  CG  GLN    81      49.759  21.372  11.493  0.00  0.00           C  
-ATOM   1285  HG2 GLN    81      49.830  20.348  11.858  0.00  0.00           H  
-ATOM   1286  HG3 GLN    81      48.754  21.420  11.074  0.00  0.00           H  
-ATOM   1287  CD  GLN    81      50.917  21.736  10.516  0.00  0.00           C  
-ATOM   1288  OE1 GLN    81      51.638  22.736  10.654  0.00  0.00           O  
-ATOM   1289  NE2 GLN    81      50.935  21.084   9.368  0.00  0.00           N  
-ATOM   1290 HE21 GLN    81      50.201  20.427   9.145  0.00  0.00           H  
-ATOM   1291 HE22 GLN    81      51.627  21.361   8.686  0.00  0.00           H  
-ATOM   1292  C   GLN    81      49.032  23.225  14.815  0.00  0.00           C  
-ATOM   1293  O   GLN    81      49.860  23.028  15.718  0.00  0.00           O  
-ATOM   1294  N   GLY    82      48.329  24.360  14.714  0.00  0.00           N  
-ATOM   1295  H   GLY    82      47.768  24.475  13.882  0.00  0.00           H  
-ATOM   1296  CA  GLY    82      48.285  25.423  15.681  0.00  0.00           C  
-ATOM   1297  HA2 GLY    82      49.310  25.604  16.005  0.00  0.00           H  
-ATOM   1298  HA3 GLY    82      47.817  26.281  15.198  0.00  0.00           H  
-ATOM   1299  C   GLY    82      47.541  25.011  16.943  0.00  0.00           C  
-ATOM   1300  O   GLY    82      46.514  24.374  16.875  0.00  0.00           O  
-ATOM   1301  N   GLU    83      48.105  25.398  18.073  0.00  0.00           N  
-ATOM   1302  H   GLU    83      49.066  25.669  17.923  0.00  0.00           H  
-ATOM   1303  CA  GLU    83      47.659  25.162  19.494  0.00  0.00           C  
-ATOM   1304  HA  GLU    83      48.339  25.696  20.157  0.00  0.00           H  
-ATOM   1305  CB  GLU    83      46.276  25.733  19.814  0.00  0.00           C  
-ATOM   1306  HB2 GLU    83      45.650  25.334  19.016  0.00  0.00           H  
-ATOM   1307  HB3 GLU    83      45.893  25.435  20.790  0.00  0.00           H  
-ATOM   1308  CG  GLU    83      46.233  27.285  19.687  0.00  0.00           C  
-ATOM   1309  HG2 GLU    83      46.141  27.601  18.648  0.00  0.00           H  
-ATOM   1310  HG3 GLU    83      45.381  27.780  20.153  0.00  0.00           H  
-ATOM   1311  CD  GLU    83      47.478  27.972  20.380  0.00  0.00           C  
-ATOM   1312  OE1 GLU    83      47.453  28.205  21.601  0.00  0.00           O  
-ATOM   1313  OE2 GLU    83      48.326  28.490  19.640  0.00  0.00           O  
-ATOM   1314  C   GLU    83      47.723  23.631  19.858  0.00  0.00           C  
-ATOM   1315  O   GLU    83      47.421  23.294  20.976  0.00  0.00           O  
-ATOM   1316  N   LYS    84      48.108  22.784  18.821  0.00  0.00           N  
-ATOM   1317  H   LYS    84      48.070  23.157  17.883  0.00  0.00           H  
-ATOM   1318  CA  LYS    84      48.594  21.398  18.962  0.00  0.00           C  
-ATOM   1319  HA  LYS    84      48.737  20.981  17.965  0.00  0.00           H  
-ATOM   1320  CB  LYS    84      49.970  21.498  19.674  0.00  0.00           C  
-ATOM   1321  HB2 LYS    84      49.782  21.970  20.638  0.00  0.00           H  
-ATOM   1322  HB3 LYS    84      50.365  20.496  19.846  0.00  0.00           H  
-ATOM   1323  CG  LYS    84      50.924  22.354  18.862  0.00  0.00           C  
-ATOM   1324  HG2 LYS    84      50.906  21.940  17.854  0.00  0.00           H  
-ATOM   1325  HG3 LYS    84      50.671  23.415  18.855  0.00  0.00           H  
-ATOM   1326  CD  LYS    84      52.311  22.340  19.481  0.00  0.00           C  
-ATOM   1327  HD2 LYS    84      52.132  22.416  20.553  0.00  0.00           H  
-ATOM   1328  HD3 LYS    84      52.751  21.416  19.104  0.00  0.00           H  
-ATOM   1329  CE  LYS    84      53.216  23.475  19.020  0.00  0.00           C  
-ATOM   1330  HE2 LYS    84      53.438  23.360  17.959  0.00  0.00           H  
-ATOM   1331  HE3 LYS    84      52.666  24.415  19.064  0.00  0.00           H  
-ATOM   1332  NZ  LYS    84      54.462  23.453  19.803  0.00  0.00           N  
-ATOM   1333  HZ1 LYS    84      55.031  22.642  19.605  0.00  0.00           H  
-ATOM   1334  HZ2 LYS    84      55.102  24.069  19.321  0.00  0.00           H  
-ATOM   1335  HZ3 LYS    84      54.399  23.726  20.773  0.00  0.00           H  
-ATOM   1336  C   LYS    84      47.629  20.482  19.752  0.00  0.00           C  
-ATOM   1337  O   LYS    84      48.065  19.605  20.479  0.00  0.00           O  
-ATOM   1338  N   SER    85      46.360  20.874  19.730  0.00  0.00           N  
-ATOM   1339  H   SER    85      46.236  21.717  19.189  0.00  0.00           H  
-ATOM   1340  CA  SER    85      45.150  20.224  20.317  0.00  0.00           C  
-ATOM   1341  HA  SER    85      45.156  19.146  20.159  0.00  0.00           H  
-ATOM   1342  CB  SER    85      45.112  20.470  21.791  0.00  0.00           C  
-ATOM   1343  HB2 SER    85      44.150  20.134  22.179  0.00  0.00           H  
-ATOM   1344  HB3 SER    85      45.979  19.963  22.215  0.00  0.00           H  
-ATOM   1345  OG  SER    85      45.322  21.812  22.266  0.00  0.00           O  
-ATOM   1346  HG  SER    85      46.106  22.242  21.916  0.00  0.00           H  
-ATOM   1347  C   SER    85      43.887  20.863  19.684  0.00  0.00           C  
-ATOM   1348  O   SER    85      43.850  22.036  19.257  0.00  0.00           O  
-ATOM   1349  N   LEU    86      42.806  20.110  19.591  0.00  0.00           N  
-ATOM   1350  H   LEU    86      42.869  19.188  19.998  0.00  0.00           H  
-ATOM   1351  CA  LEU    86      41.469  20.555  19.087  0.00  0.00           C  
-ATOM   1352  HA  LEU    86      41.555  20.759  18.020  0.00  0.00           H  
-ATOM   1353  CB  LEU    86      40.449  19.463  19.441  0.00  0.00           C  
-ATOM   1354  HB2 LEU    86      40.625  19.107  20.456  0.00  0.00           H  
-ATOM   1355  HB3 LEU    86      39.516  20.019  19.529  0.00  0.00           H  
-ATOM   1356  CG  LEU    86      40.191  18.221  18.533  0.00  0.00           C  
-ATOM   1357  HG  LEU    86      39.528  17.537  19.064  0.00  0.00           H  
-ATOM   1358  CD1 LEU    86      39.496  18.625  17.248  0.00  0.00           C  
-ATOM   1359 HD11 LEU    86      40.020  19.516  16.904  0.00  0.00           H  
-ATOM   1360 HD12 LEU    86      39.559  17.824  16.511  0.00  0.00           H  
-ATOM   1361 HD13 LEU    86      38.473  18.933  17.464  0.00  0.00           H  
-ATOM   1362  CD2 LEU    86      41.536  17.549  18.310  0.00  0.00           C  
-ATOM   1363 HD21 LEU    86      41.953  17.162  19.240  0.00  0.00           H  
-ATOM   1364 HD22 LEU    86      41.302  16.645  17.748  0.00  0.00           H  
-ATOM   1365 HD23 LEU    86      42.256  18.190  17.802  0.00  0.00           H  
-ATOM   1366  C   LEU    86      40.959  21.865  19.791  0.00  0.00           C  
-ATOM   1367  O   LEU    86      41.272  22.116  20.935  0.00  0.00           O  
-ATOM   1368  N   GLN    87      40.178  22.659  19.085  0.00  0.00           N  
-ATOM   1369  H   GLN    87      39.853  22.317  18.192  0.00  0.00           H  
-ATOM   1370  CA  GLN    87      39.555  23.901  19.410  0.00  0.00           C  
-ATOM   1371  HA  GLN    87      39.854  24.162  20.425  0.00  0.00           H  
-ATOM   1372  CB  GLN    87      40.130  24.938  18.487  0.00  0.00           C  
-ATOM   1373  HB2 GLN    87      39.995  24.784  17.417  0.00  0.00           H  
-ATOM   1374  HB3 GLN    87      39.656  25.886  18.740  0.00  0.00           H  
-ATOM   1375  CG  GLN    87      41.607  25.132  18.693  0.00  0.00           C  
-ATOM   1376  HG2 GLN    87      41.873  25.109  19.750  0.00  0.00           H  
-ATOM   1377  HG3 GLN    87      42.160  24.333  18.199  0.00  0.00           H  
-ATOM   1378  CD  GLN    87      42.076  26.471  18.120  0.00  0.00           C  
-ATOM   1379  OE1 GLN    87      41.457  27.277  17.453  0.00  0.00           O  
-ATOM   1380  NE2 GLN    87      43.289  26.821  18.404  0.00  0.00           N  
-ATOM   1381 HE21 GLN    87      43.818  26.270  19.065  0.00  0.00           H  
-ATOM   1382 HE22 GLN    87      43.686  27.515  17.787  0.00  0.00           H  
-ATOM   1383  C   GLN    87      37.999  23.903  19.244  0.00  0.00           C  
-ATOM   1384  O   GLN    87      37.468  23.346  18.364  0.00  0.00           O  
-ATOM   1385  N   LEU    88      37.246  24.480  20.163  0.00  0.00           N  
-ATOM   1386  H   LEU    88      37.678  25.162  20.770  0.00  0.00           H  
-ATOM   1387  CA  LEU    88      35.771  24.548  20.195  0.00  0.00           C  
-ATOM   1388  HA  LEU    88      35.327  23.826  19.510  0.00  0.00           H  
-ATOM   1389  CB  LEU    88      35.371  24.235  21.634  0.00  0.00           C  
-ATOM   1390  HB2 LEU    88      35.884  23.324  21.939  0.00  0.00           H  
-ATOM   1391  HB3 LEU    88      35.863  24.999  22.237  0.00  0.00           H  
-ATOM   1392  CG  LEU    88      33.889  24.208  22.005  0.00  0.00           C  
-ATOM   1393  HG  LEU    88      33.456  25.138  21.637  0.00  0.00           H  
-ATOM   1394  CD1 LEU    88      33.239  23.027  21.287  0.00  0.00           C  
-ATOM   1395 HD11 LEU    88      33.900  22.174  21.444  0.00  0.00           H  
-ATOM   1396 HD12 LEU    88      32.238  22.821  21.665  0.00  0.00           H  
-ATOM   1397 HD13 LEU    88      33.127  23.241  20.224  0.00  0.00           H  
-ATOM   1398  CD2 LEU    88      33.752  24.130  23.472  0.00  0.00           C  
-ATOM   1399 HD21 LEU    88      32.717  24.092  23.811  0.00  0.00           H  
-ATOM   1400 HD22 LEU    88      34.387  23.318  23.826  0.00  0.00           H  
-ATOM   1401 HD23 LEU    88      34.084  25.107  23.824  0.00  0.00           H  
-ATOM   1402  C   LEU    88      35.377  25.989  19.700  0.00  0.00           C  
-ATOM   1403  O   LEU    88      35.808  26.967  20.264  0.00  0.00           O  
-ATOM   1404  N   VAL    89      34.634  26.135  18.606  0.00  0.00           N  
-ATOM   1405  H   VAL    89      34.378  25.297  18.104  0.00  0.00           H  
-ATOM   1406  CA  VAL    89      33.922  27.374  18.191  0.00  0.00           C  
-ATOM   1407  HA  VAL    89      34.464  28.269  18.496  0.00  0.00           H  
-ATOM   1408  CB  VAL    89      33.760  27.398  16.624  0.00  0.00           C  
-ATOM   1409  HB  VAL    89      32.935  26.726  16.387  0.00  0.00           H  
-ATOM   1410  CG1 VAL    89      33.393  28.696  16.032  0.00  0.00           C  
-ATOM   1411 HG11 VAL    89      32.735  29.247  16.703  0.00  0.00           H  
-ATOM   1412 HG12 VAL    89      34.206  29.395  15.833  0.00  0.00           H  
-ATOM   1413 HG13 VAL    89      32.894  28.469  15.090  0.00  0.00           H  
-ATOM   1414  CG2 VAL    89      34.851  26.779  15.778  0.00  0.00           C  
-ATOM   1415 HG21 VAL    89      34.490  26.881  14.754  0.00  0.00           H  
-ATOM   1416 HG22 VAL    89      35.742  27.382  15.950  0.00  0.00           H  
-ATOM   1417 HG23 VAL    89      34.865  25.700  15.931  0.00  0.00           H  
-ATOM   1418  C   VAL    89      32.585  27.362  18.950  0.00  0.00           C  
-ATOM   1419  O   VAL    89      31.921  26.351  19.059  0.00  0.00           O  
-ATOM   1420  N   MET    90      32.203  28.521  19.462  0.00  0.00           N  
-ATOM   1421  H   MET    90      32.875  29.274  19.433  0.00  0.00           H  
-ATOM   1422  CA  MET    90      30.965  28.793  20.234  0.00  0.00           C  
-ATOM   1423  HA  MET    90      30.243  28.070  19.854  0.00  0.00           H  
-ATOM   1424  CB  MET    90      31.357  28.410  21.676  0.00  0.00           C  
-ATOM   1425  HB2 MET    90      30.531  28.068  22.300  0.00  0.00           H  
-ATOM   1426  HB3 MET    90      32.011  27.545  21.563  0.00  0.00           H  
-ATOM   1427  CG  MET    90      32.120  29.422  22.462  0.00  0.00           C  
-ATOM   1428  HG2 MET    90      32.916  29.638  21.750  0.00  0.00           H  
-ATOM   1429  HG3 MET    90      31.487  30.261  22.753  0.00  0.00           H  
-ATOM   1430  SD  MET    90      32.789  28.728  24.008  0.00  0.00           S  
-ATOM   1431  CE  MET    90      33.869  30.147  24.688  0.00  0.00           C  
-ATOM   1432  HE1 MET    90      33.253  30.962  25.067  0.00  0.00           H  
-ATOM   1433  HE2 MET    90      34.441  29.830  25.561  0.00  0.00           H  
-ATOM   1434  HE3 MET    90      34.438  30.517  23.835  0.00  0.00           H  
-ATOM   1435  C   MET    90      30.392  30.194  19.873  0.00  0.00           C  
-ATOM   1436  O   MET    90      31.109  30.978  19.300  0.00  0.00           O  
-ATOM   1437  N   GLU    91      29.160  30.407  20.257  0.00  0.00           N  
-ATOM   1438  H   GLU    91      28.635  29.650  20.671  0.00  0.00           H  
-ATOM   1439  CA  GLU    91      28.402  31.623  20.078  0.00  0.00           C  
-ATOM   1440  HA  GLU    91      28.346  31.808  19.005  0.00  0.00           H  
-ATOM   1441  CB  GLU    91      26.959  31.426  20.527  0.00  0.00           C  
-ATOM   1442  HB2 GLU    91      26.359  30.871  19.805  0.00  0.00           H  
-ATOM   1443  HB3 GLU    91      26.844  30.747  21.372  0.00  0.00           H  
-ATOM   1444  CG  GLU    91      26.220  32.649  20.901  0.00  0.00           C  
-ATOM   1445  HG2 GLU    91      26.649  33.075  21.808  0.00  0.00           H  
-ATOM   1446  HG3 GLU    91      26.241  33.385  20.098  0.00  0.00           H  
-ATOM   1447  CD  GLU    91      24.728  32.387  21.224  0.00  0.00           C  
-ATOM   1448  OE1 GLU    91      23.824  32.881  20.483  0.00  0.00           O  
-ATOM   1449  OE2 GLU    91      24.453  31.872  22.302  0.00  0.00           O  
-ATOM   1450  C   GLU    91      29.046  32.882  20.749  0.00  0.00           C  
-ATOM   1451  O   GLU    91      29.377  32.951  21.972  0.00  0.00           O  
-ATOM   1452  N   TYR    92      29.215  33.933  19.881  0.00  0.00           N  
-ATOM   1453  H   TYR    92      28.852  33.814  18.946  0.00  0.00           H  
-ATOM   1454  CA  TYR    92      29.560  35.287  20.385  0.00  0.00           C  
-ATOM   1455  HA  TYR    92      30.550  35.204  20.834  0.00  0.00           H  
-ATOM   1456  CB  TYR    92      29.740  36.212  19.158  0.00  0.00           C  
-ATOM   1457  HB2 TYR    92      30.383  35.673  18.462  0.00  0.00           H  
-ATOM   1458  HB3 TYR    92      28.836  36.417  18.585  0.00  0.00           H  
-ATOM   1459  CG  TYR    92      30.468  37.577  19.333  0.00  0.00           C  
-ATOM   1460  CD1 TYR    92      31.578  37.735  20.121  0.00  0.00           C  
-ATOM   1461  HD1 TYR    92      32.013  36.879  20.616  0.00  0.00           H  
-ATOM   1462  CE1 TYR    92      32.189  39.025  20.202  0.00  0.00           C  
-ATOM   1463  HE1 TYR    92      33.041  39.146  20.854  0.00  0.00           H  
-ATOM   1464  CZ  TYR    92      31.740  40.098  19.444  0.00  0.00           C  
-ATOM   1465  OH  TYR    92      32.428  41.253  19.486  0.00  0.00           O  
-ATOM   1466  HH  TYR    92      32.162  41.879  18.808  0.00  0.00           H  
-ATOM   1467  CE2 TYR    92      30.633  39.900  18.506  0.00  0.00           C  
-ATOM   1468  HE2 TYR    92      30.284  40.731  17.911  0.00  0.00           H  
-ATOM   1469  CD2 TYR    92      29.991  38.662  18.524  0.00  0.00           C  
-ATOM   1470  HD2 TYR    92      29.153  38.602  17.845  0.00  0.00           H  
-ATOM   1471  C   TYR    92      28.636  35.806  21.417  0.00  0.00           C  
-ATOM   1472  O   TYR    92      27.434  35.790  21.197  0.00  0.00           O  
-ATOM   1473  N   VAL    93      29.104  36.312  22.556  0.00  0.00           N  
-ATOM   1474  H   VAL    93      30.106  36.435  22.586  0.00  0.00           H  
-ATOM   1475  CA  VAL    93      28.223  36.795  23.658  0.00  0.00           C  
-ATOM   1476  HA  VAL    93      27.205  36.806  23.271  0.00  0.00           H  
-ATOM   1477  CB  VAL    93      28.251  35.927  24.917  0.00  0.00           C  
-ATOM   1478  HB  VAL    93      29.286  36.045  25.238  0.00  0.00           H  
-ATOM   1479  CG1 VAL    93      27.207  36.343  25.976  0.00  0.00           C  
-ATOM   1480 HG11 VAL    93      26.203  36.340  25.552  0.00  0.00           H  
-ATOM   1481 HG12 VAL    93      27.087  35.710  26.855  0.00  0.00           H  
-ATOM   1482 HG13 VAL    93      27.446  37.342  26.342  0.00  0.00           H  
-ATOM   1483  CG2 VAL    93      28.108  34.415  24.537  0.00  0.00           C  
-ATOM   1484 HG21 VAL    93      28.882  34.066  23.853  0.00  0.00           H  
-ATOM   1485 HG22 VAL    93      28.121  33.810  25.443  0.00  0.00           H  
-ATOM   1486 HG23 VAL    93      27.157  34.309  24.015  0.00  0.00           H  
-ATOM   1487  C   VAL    93      28.519  38.284  23.891  0.00  0.00           C  
-ATOM   1488  O   VAL    93      29.319  38.713  24.717  0.00  0.00           O  
-ATOM   1489  N   PRO    94      27.971  39.210  23.048  0.00  0.00           N  
-ATOM   1490  CD  PRO    94      26.918  39.091  22.077  0.00  0.00           C  
-ATOM   1491  HD2 PRO    94      25.942  39.396  22.455  0.00  0.00           H  
-ATOM   1492  HD3 PRO    94      26.697  38.071  21.761  0.00  0.00           H  
-ATOM   1493  CG  PRO    94      27.302  39.962  20.892  0.00  0.00           C  
-ATOM   1494  HG2 PRO    94      26.428  40.282  20.324  0.00  0.00           H  
-ATOM   1495  HG3 PRO    94      27.953  39.450  20.184  0.00  0.00           H  
-ATOM   1496  CB  PRO    94      27.968  41.147  21.554  0.00  0.00           C  
-ATOM   1497  HB2 PRO    94      27.255  41.892  21.906  0.00  0.00           H  
-ATOM   1498  HB3 PRO    94      28.686  41.691  20.941  0.00  0.00           H  
-ATOM   1499  CA  PRO    94      28.616  40.507  22.776  0.00  0.00           C  
-ATOM   1500  HA  PRO    94      29.634  40.254  22.478  0.00  0.00           H  
-ATOM   1501  C   PRO    94      28.861  41.400  23.946  0.00  0.00           C  
-ATOM   1502  O   PRO    94      29.707  42.287  23.744  0.00  0.00           O  
-ATOM   1503  N   LEU    95      28.080  41.399  25.028  0.00  0.00           N  
-ATOM   1504  H   LEU    95      27.572  40.551  25.233  0.00  0.00           H  
-ATOM   1505  CA  LEU    95      28.288  42.250  26.217  0.00  0.00           C  
-ATOM   1506  HA  LEU    95      28.848  43.158  25.989  0.00  0.00           H  
-ATOM   1507  CB  LEU    95      26.888  42.698  26.818  0.00  0.00           C  
-ATOM   1508  HB2 LEU    95      26.431  43.264  26.006  0.00  0.00           H  
-ATOM   1509  HB3 LEU    95      26.251  41.837  27.019  0.00  0.00           H  
-ATOM   1510  CG  LEU    95      26.964  43.688  28.023  0.00  0.00           C  
-ATOM   1511  HG  LEU    95      27.467  43.043  28.743  0.00  0.00           H  
-ATOM   1512  CD1 LEU    95      27.601  44.998  27.563  0.00  0.00           C  
-ATOM   1513 HD11 LEU    95      27.608  45.701  28.396  0.00  0.00           H  
-ATOM   1514 HD12 LEU    95      28.521  45.006  26.978  0.00  0.00           H  
-ATOM   1515 HD13 LEU    95      26.966  45.538  26.860  0.00  0.00           H  
-ATOM   1516  CD2 LEU    95      25.551  43.971  28.559  0.00  0.00           C  
-ATOM   1517 HD21 LEU    95      24.865  44.395  27.825  0.00  0.00           H  
-ATOM   1518 HD22 LEU    95      25.004  43.093  28.903  0.00  0.00           H  
-ATOM   1519 HD23 LEU    95      25.698  44.701  29.355  0.00  0.00           H  
-ATOM   1520  C   LEU    95      29.176  41.458  27.284  0.00  0.00           C  
-ATOM   1521  O   LEU    95      29.998  42.028  27.996  0.00  0.00           O  
-ATOM   1522  N   GLY    96      29.220  40.126  27.275  0.00  0.00           N  
-ATOM   1523  H   GLY    96      28.743  39.700  26.493  0.00  0.00           H  
-ATOM   1524  CA  GLY    96      30.056  39.239  28.114  0.00  0.00           C  
-ATOM   1525  HA2 GLY    96      29.825  38.175  28.062  0.00  0.00           H  
-ATOM   1526  HA3 GLY    96      31.097  39.392  27.829  0.00  0.00           H  
-ATOM   1527  C   GLY    96      29.983  39.474  29.582  0.00  0.00           C  
-ATOM   1528  O   GLY    96      28.962  39.560  30.180  0.00  0.00           O  
-ATOM   1529  N   SER    97      31.171  39.614  30.181  0.00  0.00           N  
-ATOM   1530  H   SER    97      31.989  39.615  29.589  0.00  0.00           H  
-ATOM   1531  CA  SER    97      31.414  39.518  31.583  0.00  0.00           C  
-ATOM   1532  HA  SER    97      31.295  38.464  31.833  0.00  0.00           H  
-ATOM   1533  CB  SER    97      32.908  39.778  31.972  0.00  0.00           C  
-ATOM   1534  HB2 SER    97      33.575  39.095  31.447  0.00  0.00           H  
-ATOM   1535  HB3 SER    97      33.208  40.798  31.730  0.00  0.00           H  
-ATOM   1536  OG  SER    97      33.028  39.616  33.299  0.00  0.00           O  
-ATOM   1537  HG  SER    97      32.769  38.732  33.569  0.00  0.00           H  
-ATOM   1538  C   SER    97      30.474  40.378  32.442  0.00  0.00           C  
-ATOM   1539  O   SER    97      30.571  41.582  32.387  0.00  0.00           O  
-ATOM   1540  N   LEU    98      29.630  39.773  33.269  0.00  0.00           N  
-ATOM   1541  H   LEU    98      29.492  38.782  33.134  0.00  0.00           H  
-ATOM   1542  CA  LEU    98      28.926  40.465  34.299  0.00  0.00           C  
-ATOM   1543  HA  LEU    98      28.586  41.385  33.824  0.00  0.00           H  
-ATOM   1544  CB  LEU    98      27.854  39.476  34.747  0.00  0.00           C  
-ATOM   1545  HB2 LEU    98      27.229  39.023  33.978  0.00  0.00           H  
-ATOM   1546  HB3 LEU    98      28.422  38.708  35.273  0.00  0.00           H  
-ATOM   1547  CG  LEU    98      26.855  40.112  35.812  0.00  0.00           C  
-ATOM   1548  HG  LEU    98      27.358  40.492  36.702  0.00  0.00           H  
-ATOM   1549  CD1 LEU    98      25.949  41.229  35.206  0.00  0.00           C  
-ATOM   1550 HD11 LEU    98      25.187  41.536  35.922  0.00  0.00           H  
-ATOM   1551 HD12 LEU    98      26.574  42.013  34.778  0.00  0.00           H  
-ATOM   1552 HD13 LEU    98      25.403  40.724  34.409  0.00  0.00           H  
-ATOM   1553  CD2 LEU    98      25.892  39.017  36.215  0.00  0.00           C  
-ATOM   1554 HD21 LEU    98      26.441  38.086  36.354  0.00  0.00           H  
-ATOM   1555 HD22 LEU    98      25.386  39.415  37.094  0.00  0.00           H  
-ATOM   1556 HD23 LEU    98      25.199  38.746  35.419  0.00  0.00           H  
-ATOM   1557  C   LEU    98      29.842  40.977  35.419  0.00  0.00           C  
-ATOM   1558  O   LEU    98      29.631  41.933  36.086  0.00  0.00           O  
-ATOM   1559  N   ARG    99      30.920  40.226  35.645  0.00  0.00           N  
-ATOM   1560  H   ARG    99      30.916  39.353  35.137  0.00  0.00           H  
-ATOM   1561  CA  ARG    99      31.919  40.507  36.658  0.00  0.00           C  
-ATOM   1562  HA  ARG    99      31.400  40.649  37.606  0.00  0.00           H  
-ATOM   1563  CB  ARG    99      32.986  39.316  36.754  0.00  0.00           C  
-ATOM   1564  HB2 ARG    99      32.419  38.388  36.840  0.00  0.00           H  
-ATOM   1565  HB3 ARG    99      33.623  39.304  35.870  0.00  0.00           H  
-ATOM   1566  CG  ARG    99      33.928  39.473  37.933  0.00  0.00           C  
-ATOM   1567  HG2 ARG    99      34.619  40.264  37.640  0.00  0.00           H  
-ATOM   1568  HG3 ARG    99      33.417  39.604  38.887  0.00  0.00           H  
-ATOM   1569  CD  ARG    99      34.870  38.227  38.015  0.00  0.00           C  
-ATOM   1570  HD2 ARG    99      34.446  37.244  37.811  0.00  0.00           H  
-ATOM   1571  HD3 ARG    99      35.613  38.363  37.229  0.00  0.00           H  
-ATOM   1572  NE  ARG    99      35.470  38.216  39.343  0.00  0.00           N  
-ATOM   1573  HE  ARG    99      35.028  37.670  40.068  0.00  0.00           H  
-ATOM   1574  CZ  ARG    99      36.751  38.482  39.629  0.00  0.00           C  
-ATOM   1575  NH1 ARG    99      37.268  38.102  40.746  0.00  0.00           N  
-ATOM   1576 HH11 ARG    99      36.794  37.575  41.465  0.00  0.00           H  
-ATOM   1577 HH12 ARG    99      38.128  38.571  40.993  0.00  0.00           H  
-ATOM   1578  NH2 ARG    99      37.492  39.246  38.862  0.00  0.00           N  
-ATOM   1579 HH21 ARG    99      37.067  39.780  38.118  0.00  0.00           H  
-ATOM   1580 HH22 ARG    99      38.315  39.646  39.288  0.00  0.00           H  
-ATOM   1581  C   ARG    99      32.742  41.832  36.400  0.00  0.00           C  
-ATOM   1582  O   ARG    99      33.075  42.486  37.395  0.00  0.00           O  
-ATOM   1583  N   ASP   100      32.797  42.260  35.173  0.00  0.00           N  
-ATOM   1584  H   ASP   100      32.605  41.616  34.420  0.00  0.00           H  
-ATOM   1585  CA  ASP   100      33.221  43.561  34.687  0.00  0.00           C  
-ATOM   1586  HA  ASP   100      33.823  43.890  35.534  0.00  0.00           H  
-ATOM   1587  CB  ASP   100      34.146  43.502  33.476  0.00  0.00           C  
-ATOM   1588  HB2 ASP   100      33.607  43.081  32.628  0.00  0.00           H  
-ATOM   1589  HB3 ASP   100      34.476  44.516  33.255  0.00  0.00           H  
-ATOM   1590  CG  ASP   100      35.313  42.583  33.512  0.00  0.00           C  
-ATOM   1591  OD1 ASP   100      36.012  42.628  34.539  0.00  0.00           O  
-ATOM   1592  OD2 ASP   100      35.650  42.063  32.432  0.00  0.00           O  
-ATOM   1593  C   ASP   100      32.150  44.671  34.434  0.00  0.00           C  
-ATOM   1594  O   ASP   100      32.346  45.836  34.637  0.00  0.00           O  
-ATOM   1595  N   TYR   101      30.966  44.244  34.106  0.00  0.00           N  
-ATOM   1596  H   TYR   101      30.863  43.257  33.914  0.00  0.00           H  
-ATOM   1597  CA  TYR   101      29.780  45.138  33.850  0.00  0.00           C  
-ATOM   1598  HA  TYR   101      30.190  45.885  33.170  0.00  0.00           H  
-ATOM   1599  CB  TYR   101      28.686  44.308  33.207  0.00  0.00           C  
-ATOM   1600  HB2 TYR   101      29.019  44.024  32.209  0.00  0.00           H  
-ATOM   1601  HB3 TYR   101      28.471  43.499  33.905  0.00  0.00           H  
-ATOM   1602  CG  TYR   101      27.404  45.149  32.915  0.00  0.00           C  
-ATOM   1603  CD1 TYR   101      27.379  46.042  31.847  0.00  0.00           C  
-ATOM   1604  HD1 TYR   101      28.152  45.995  31.094  0.00  0.00           H  
-ATOM   1605  CE1 TYR   101      26.238  46.767  31.569  0.00  0.00           C  
-ATOM   1606  HE1 TYR   101      26.331  47.370  30.678  0.00  0.00           H  
-ATOM   1607  CZ  TYR   101      25.135  46.726  32.432  0.00  0.00           C  
-ATOM   1608  OH  TYR   101      24.045  47.439  32.067  0.00  0.00           O  
-ATOM   1609  HH  TYR   101      24.129  47.832  31.196  0.00  0.00           H  
-ATOM   1610  CE2 TYR   101      25.176  45.858  33.552  0.00  0.00           C  
-ATOM   1611  HE2 TYR   101      24.287  45.798  34.162  0.00  0.00           H  
-ATOM   1612  CD2 TYR   101      26.388  45.187  33.876  0.00  0.00           C  
-ATOM   1613  HD2 TYR   101      26.405  44.594  34.778  0.00  0.00           H  
-ATOM   1614  C   TYR   101      29.390  45.818  35.213  0.00  0.00           C  
-ATOM   1615  O   TYR   101      29.300  47.081  35.228  0.00  0.00           O  
-ATOM   1616  N   LEU   102      29.198  45.046  36.293  0.00  0.00           N  
-ATOM   1617  H   LEU   102      29.354  44.056  36.165  0.00  0.00           H  
-ATOM   1618  CA  LEU   102      28.790  45.579  37.671  0.00  0.00           C  
-ATOM   1619  HA  LEU   102      27.863  46.142  37.558  0.00  0.00           H  
-ATOM   1620  CB  LEU   102      28.487  44.417  38.580  0.00  0.00           C  
-ATOM   1621  HB2 LEU   102      29.379  43.799  38.682  0.00  0.00           H  
-ATOM   1622  HB3 LEU   102      28.294  44.854  39.559  0.00  0.00           H  
-ATOM   1623  CG  LEU   102      27.295  43.493  38.213  0.00  0.00           C  
-ATOM   1624  HG  LEU   102      27.568  42.938  37.315  0.00  0.00           H  
-ATOM   1625  CD1 LEU   102      26.782  42.486  39.318  0.00  0.00           C  
-ATOM   1626 HD11 LEU   102      25.953  42.872  39.911  0.00  0.00           H  
-ATOM   1627 HD12 LEU   102      26.513  41.516  38.898  0.00  0.00           H  
-ATOM   1628 HD13 LEU   102      27.658  42.440  39.964  0.00  0.00           H  
-ATOM   1629  CD2 LEU   102      26.049  44.370  37.843  0.00  0.00           C  
-ATOM   1630 HD21 LEU   102      25.833  44.910  38.765  0.00  0.00           H  
-ATOM   1631 HD22 LEU   102      26.383  45.085  37.091  0.00  0.00           H  
-ATOM   1632 HD23 LEU   102      25.235  43.729  37.505  0.00  0.00           H  
-ATOM   1633  C   LEU   102      29.769  46.610  38.258  0.00  0.00           C  
-ATOM   1634  O   LEU   102      29.273  47.662  38.588  0.00  0.00           O  
-ATOM   1635  N   PRO   103      31.111  46.472  38.453  0.00  0.00           N  
-ATOM   1636  CD  PRO   103      31.790  45.259  38.338  0.00  0.00           C  
-ATOM   1637  HD2 PRO   103      31.906  44.983  37.290  0.00  0.00           H  
-ATOM   1638  HD3 PRO   103      31.311  44.373  38.755  0.00  0.00           H  
-ATOM   1639  CG  PRO   103      33.201  45.354  38.992  0.00  0.00           C  
-ATOM   1640  HG2 PRO   103      33.976  44.718  38.563  0.00  0.00           H  
-ATOM   1641  HG3 PRO   103      33.069  45.064  40.034  0.00  0.00           H  
-ATOM   1642  CB  PRO   103      33.422  46.858  38.897  0.00  0.00           C  
-ATOM   1643  HB2 PRO   103      33.769  46.998  37.873  0.00  0.00           H  
-ATOM   1644  HB3 PRO   103      34.153  47.197  39.631  0.00  0.00           H  
-ATOM   1645  CA  PRO   103      31.974  47.441  39.054  0.00  0.00           C  
-ATOM   1646  HA  PRO   103      31.551  47.541  40.053  0.00  0.00           H  
-ATOM   1647  C   PRO   103      31.987  48.883  38.444  0.00  0.00           C  
-ATOM   1648  O   PRO   103      32.407  49.874  39.060  0.00  0.00           O  
-ATOM   1649  N   ARG   104      31.610  48.955  37.208  0.00  0.00           N  
-ATOM   1650  H   ARG   104      31.176  48.182  36.723  0.00  0.00           H  
-ATOM   1651  CA  ARG   104      31.679  50.153  36.391  0.00  0.00           C  
-ATOM   1652  HA  ARG   104      32.505  50.836  36.584  0.00  0.00           H  
-ATOM   1653  CB  ARG   104      31.744  49.677  34.928  0.00  0.00           C  
-ATOM   1654  HB2 ARG   104      32.509  48.901  34.891  0.00  0.00           H  
-ATOM   1655  HB3 ARG   104      30.734  49.323  34.722  0.00  0.00           H  
-ATOM   1656  CG  ARG   104      32.232  50.861  34.021  0.00  0.00           C  
-ATOM   1657  HG2 ARG   104      31.401  51.550  33.871  0.00  0.00           H  
-ATOM   1658  HG3 ARG   104      33.091  51.382  34.445  0.00  0.00           H  
-ATOM   1659  CD  ARG   104      32.466  50.326  32.649  0.00  0.00           C  
-ATOM   1660  HD2 ARG   104      32.914  51.107  32.034  0.00  0.00           H  
-ATOM   1661  HD3 ARG   104      33.125  49.489  32.880  0.00  0.00           H  
-ATOM   1662  NE  ARG   104      31.248  49.702  31.979  0.00  0.00           N  
-ATOM   1663  HE  ARG   104      30.339  50.140  31.975  0.00  0.00           H  
-ATOM   1664  CZ  ARG   104      31.183  48.510  31.361  0.00  0.00           C  
-ATOM   1665  NH1 ARG   104      32.167  47.702  31.475  0.00  0.00           N  
-ATOM   1666 HH11 ARG   104      33.119  48.023  31.584  0.00  0.00           H  
-ATOM   1667 HH12 ARG   104      32.123  46.813  30.998  0.00  0.00           H  
-ATOM   1668  NH2 ARG   104      30.140  48.179  30.711  0.00  0.00           N  
-ATOM   1669 HH21 ARG   104      29.443  48.878  30.495  0.00  0.00           H  
-ATOM   1670 HH22 ARG   104      30.226  47.332  30.168  0.00  0.00           H  
-ATOM   1671  C   ARG   104      30.408  50.981  36.612  0.00  0.00           C  
-ATOM   1672  O   ARG   104      30.383  52.165  36.373  0.00  0.00           O  
-ATOM   1673  N   HID   105      29.359  50.347  37.167  0.00  0.00           N  
-ATOM   1674  H   HID   105      29.412  49.363  37.388  0.00  0.00           H  
-ATOM   1675  CA  HID   105      28.050  50.969  37.141  0.00  0.00           C  
-ATOM   1676  HA  HID   105      28.053  52.032  36.901  0.00  0.00           H  
-ATOM   1677  CB  HID   105      27.139  50.381  36.031  0.00  0.00           C  
-ATOM   1678  HB2 HID   105      27.102  49.293  36.097  0.00  0.00           H  
-ATOM   1679  HB3 HID   105      26.164  50.860  36.123  0.00  0.00           H  
-ATOM   1680  CG  HID   105      27.646  50.634  34.650  0.00  0.00           C  
-ATOM   1681  ND1 HID   105      27.631  51.821  33.930  0.00  0.00           N  
-ATOM   1682  HD1 HID   105      27.222  52.707  34.189  0.00  0.00           H  
-ATOM   1683  CE1 HID   105      28.114  51.624  32.686  0.00  0.00           C  
-ATOM   1684  HE1 HID   105      28.125  52.246  31.803  0.00  0.00           H  
-ATOM   1685  NE2 HID   105      28.471  50.363  32.605  0.00  0.00           N  
-ATOM   1686  CD2 HID   105      28.134  49.751  33.783  0.00  0.00           C  
-ATOM   1687  HD2 HID   105      28.159  48.683  33.945  0.00  0.00           H  
-ATOM   1688  C   HID   105      27.511  50.823  38.554  0.00  0.00           C  
-ATOM   1689  O   HID   105      28.228  50.391  39.486  0.00  0.00           O  
-ATOM   1690  N   SER   106      26.159  50.974  38.832  0.00  0.00           N  
-ATOM   1691  H   SER   106      25.517  51.109  38.064  0.00  0.00           H  
-ATOM   1692  CA  SER   106      25.455  50.878  40.079  0.00  0.00           C  
-ATOM   1693  HA  SER   106      25.936  50.115  40.691  0.00  0.00           H  
-ATOM   1694  CB  SER   106      25.487  52.214  40.825  0.00  0.00           C  
-ATOM   1695  HB2 SER   106      24.845  52.209  41.706  0.00  0.00           H  
-ATOM   1696  HB3 SER   106      26.522  52.383  41.122  0.00  0.00           H  
-ATOM   1697  OG  SER   106      24.991  53.193  39.835  0.00  0.00           O  
-ATOM   1698  HG  SER   106      24.060  53.038  39.663  0.00  0.00           H  
-ATOM   1699  C   SER   106      24.004  50.334  39.827  0.00  0.00           C  
-ATOM   1700  O   SER   106      22.984  50.994  40.126  0.00  0.00           O  
-ATOM   1701  N   ILE   107      24.027  49.122  39.233  0.00  0.00           N  
-ATOM   1702  H   ILE   107      24.931  48.750  38.976  0.00  0.00           H  
-ATOM   1703  CA  ILE   107      22.813  48.476  38.637  0.00  0.00           C  
-ATOM   1704  HA  ILE   107      22.414  48.954  37.742  0.00  0.00           H  
-ATOM   1705  CB  ILE   107      23.250  47.123  38.067  0.00  0.00           C  
-ATOM   1706  HB  ILE   107      23.730  46.629  38.912  0.00  0.00           H  
-ATOM   1707  CG2 ILE   107      22.138  46.137  37.524  0.00  0.00           C  
-ATOM   1708 HG21 ILE   107      22.501  45.173  37.167  0.00  0.00           H  
-ATOM   1709 HG22 ILE   107      21.543  45.901  38.406  0.00  0.00           H  
-ATOM   1710 HG23 ILE   107      21.628  46.638  36.702  0.00  0.00           H  
-ATOM   1711  CG1 ILE   107      24.297  47.185  36.929  0.00  0.00           C  
-ATOM   1712 HG12 ILE   107      25.328  47.337  37.249  0.00  0.00           H  
-ATOM   1713 HG13 ILE   107      24.233  46.199  36.469  0.00  0.00           H  
-ATOM   1714  CD1 ILE   107      24.018  48.137  35.772  0.00  0.00           C  
-ATOM   1715 HD11 ILE   107      23.928  49.149  36.169  0.00  0.00           H  
-ATOM   1716 HD12 ILE   107      24.934  48.097  35.184  0.00  0.00           H  
-ATOM   1717 HD13 ILE   107      23.155  47.872  35.160  0.00  0.00           H  
-ATOM   1718  C   ILE   107      21.699  48.243  39.711  0.00  0.00           C  
-ATOM   1719  O   ILE   107      21.951  48.103  40.889  0.00  0.00           O  
-ATOM   1720  N   GLY   108      20.437  48.393  39.282  0.00  0.00           N  
-ATOM   1721  H   GLY   108      20.170  48.512  38.315  0.00  0.00           H  
-ATOM   1722  CA  GLY   108      19.208  48.351  40.069  0.00  0.00           C  
-ATOM   1723  HA2 GLY   108      19.354  48.862  41.021  0.00  0.00           H  
-ATOM   1724  HA3 GLY   108      18.355  48.641  39.457  0.00  0.00           H  
-ATOM   1725  C   GLY   108      18.830  46.934  40.547  0.00  0.00           C  
-ATOM   1726  O   GLY   108      19.184  45.983  39.849  0.00  0.00           O  
-ATOM   1727  N   LEU   109      18.208  46.832  41.742  0.00  0.00           N  
-ATOM   1728  H   LEU   109      17.942  47.689  42.204  0.00  0.00           H  
-ATOM   1729  CA  LEU   109      17.773  45.587  42.345  0.00  0.00           C  
-ATOM   1730  HA  LEU   109      18.738  45.128  42.561  0.00  0.00           H  
-ATOM   1731  CB  LEU   109      17.032  45.857  43.681  0.00  0.00           C  
-ATOM   1732  HB2 LEU   109      17.659  46.501  44.298  0.00  0.00           H  
-ATOM   1733  HB3 LEU   109      16.103  46.400  43.504  0.00  0.00           H  
-ATOM   1734  CG  LEU   109      16.817  44.572  44.486  0.00  0.00           C  
-ATOM   1735  HG  LEU   109      16.227  43.917  43.844  0.00  0.00           H  
-ATOM   1736  CD1 LEU   109      18.097  43.923  44.955  0.00  0.00           C  
-ATOM   1737 HD11 LEU   109      18.716  44.686  45.428  0.00  0.00           H  
-ATOM   1738 HD12 LEU   109      17.912  43.146  45.696  0.00  0.00           H  
-ATOM   1739 HD13 LEU   109      18.603  43.506  44.084  0.00  0.00           H  
-ATOM   1740  CD2 LEU   109      15.971  44.913  45.718  0.00  0.00           C  
-ATOM   1741 HD21 LEU   109      16.552  45.377  46.516  0.00  0.00           H  
-ATOM   1742 HD22 LEU   109      15.205  45.624  45.411  0.00  0.00           H  
-ATOM   1743 HD23 LEU   109      15.611  44.013  46.216  0.00  0.00           H  
-ATOM   1744  C   LEU   109      16.941  44.688  41.409  0.00  0.00           C  
-ATOM   1745  O   LEU   109      17.161  43.487  41.336  0.00  0.00           O  
-ATOM   1746  N   ALA   110      15.978  45.302  40.733  0.00  0.00           N  
-ATOM   1747  H   ALA   110      15.802  46.247  41.042  0.00  0.00           H  
-ATOM   1748  CA  ALA   110      15.093  44.517  39.850  0.00  0.00           C  
-ATOM   1749  HA  ALA   110      14.660  43.699  40.426  0.00  0.00           H  
-ATOM   1750  CB  ALA   110      13.999  45.509  39.399  0.00  0.00           C  
-ATOM   1751  HB1 ALA   110      14.365  46.528  39.277  0.00  0.00           H  
-ATOM   1752  HB2 ALA   110      13.519  45.132  38.495  0.00  0.00           H  
-ATOM   1753  HB3 ALA   110      13.338  45.578  40.263  0.00  0.00           H  
-ATOM   1754  C   ALA   110      15.779  43.913  38.676  0.00  0.00           C  
-ATOM   1755  O   ALA   110      15.579  42.770  38.409  0.00  0.00           O  
-ATOM   1756  N   GLN   111      16.664  44.642  38.031  0.00  0.00           N  
-ATOM   1757  H   GLN   111      16.757  45.573  38.411  0.00  0.00           H  
-ATOM   1758  CA  GLN   111      17.505  44.153  36.986  0.00  0.00           C  
-ATOM   1759  HA  GLN   111      16.915  43.646  36.222  0.00  0.00           H  
-ATOM   1760  CB  GLN   111      18.244  45.286  36.367  0.00  0.00           C  
-ATOM   1761  HB2 GLN   111      17.540  46.074  36.098  0.00  0.00           H  
-ATOM   1762  HB3 GLN   111      18.972  45.712  37.057  0.00  0.00           H  
-ATOM   1763  CG  GLN   111      18.928  44.933  35.048  0.00  0.00           C  
-ATOM   1764  HG2 GLN   111      19.700  44.175  35.183  0.00  0.00           H  
-ATOM   1765  HG3 GLN   111      18.135  44.494  34.442  0.00  0.00           H  
-ATOM   1766  CD  GLN   111      19.496  46.081  34.288  0.00  0.00           C  
-ATOM   1767  OE1 GLN   111      19.503  47.182  34.730  0.00  0.00           O  
-ATOM   1768  NE2 GLN   111      19.976  45.938  33.118  0.00  0.00           N  
-ATOM   1769 HE21 GLN   111      20.018  45.029  32.681  0.00  0.00           H  
-ATOM   1770 HE22 GLN   111      20.322  46.704  32.559  0.00  0.00           H  
-ATOM   1771  C   GLN   111      18.530  43.015  37.489  0.00  0.00           C  
-ATOM   1772  O   GLN   111      18.544  41.894  36.916  0.00  0.00           O  
-ATOM   1773  N   LEU   112      19.182  43.188  38.683  0.00  0.00           N  
-ATOM   1774  H   LEU   112      18.934  44.007  39.220  0.00  0.00           H  
-ATOM   1775  CA  LEU   112      20.035  42.120  39.301  0.00  0.00           C  
-ATOM   1776  HA  LEU   112      20.733  41.715  38.568  0.00  0.00           H  
-ATOM   1777  CB  LEU   112      20.787  42.485  40.531  0.00  0.00           C  
-ATOM   1778  HB2 LEU   112      20.035  42.902  41.201  0.00  0.00           H  
-ATOM   1779  HB3 LEU   112      21.196  41.598  41.015  0.00  0.00           H  
-ATOM   1780  CG  LEU   112      21.944  43.516  40.362  0.00  0.00           C  
-ATOM   1781  HG  LEU   112      21.570  44.453  39.950  0.00  0.00           H  
-ATOM   1782  CD1 LEU   112      22.508  43.641  41.741  0.00  0.00           C  
-ATOM   1783 HD11 LEU   112      21.759  43.992  42.452  0.00  0.00           H  
-ATOM   1784 HD12 LEU   112      22.862  42.706  42.176  0.00  0.00           H  
-ATOM   1785 HD13 LEU   112      23.347  44.335  41.690  0.00  0.00           H  
-ATOM   1786  CD2 LEU   112      23.083  42.910  39.532  0.00  0.00           C  
-ATOM   1787 HD21 LEU   112      23.665  42.167  40.080  0.00  0.00           H  
-ATOM   1788 HD22 LEU   112      22.642  42.322  38.728  0.00  0.00           H  
-ATOM   1789 HD23 LEU   112      23.774  43.696  39.229  0.00  0.00           H  
-ATOM   1790  C   LEU   112      19.247  40.854  39.606  0.00  0.00           C  
-ATOM   1791  O   LEU   112      19.750  39.817  39.399  0.00  0.00           O  
-ATOM   1792  N   LEU   113      17.979  40.936  40.135  0.00  0.00           N  
-ATOM   1793  H   LEU   113      17.649  41.840  40.441  0.00  0.00           H  
-ATOM   1794  CA  LEU   113      17.138  39.768  40.493  0.00  0.00           C  
-ATOM   1795  HA  LEU   113      17.749  38.974  40.924  0.00  0.00           H  
-ATOM   1796  CB  LEU   113      16.084  40.075  41.578  0.00  0.00           C  
-ATOM   1797  HB2 LEU   113      15.489  40.922  41.236  0.00  0.00           H  
-ATOM   1798  HB3 LEU   113      15.396  39.246  41.746  0.00  0.00           H  
-ATOM   1799  CG  LEU   113      16.775  40.539  42.851  0.00  0.00           C  
-ATOM   1800  HG  LEU   113      17.435  41.373  42.613  0.00  0.00           H  
-ATOM   1801  CD1 LEU   113      15.675  40.881  43.852  0.00  0.00           C  
-ATOM   1802 HD11 LEU   113      14.912  41.535  43.429  0.00  0.00           H  
-ATOM   1803 HD12 LEU   113      15.225  39.917  44.088  0.00  0.00           H  
-ATOM   1804 HD13 LEU   113      16.065  41.407  44.724  0.00  0.00           H  
-ATOM   1805  CD2 LEU   113      17.651  39.444  43.585  0.00  0.00           C  
-ATOM   1806 HD21 LEU   113      17.078  38.623  44.016  0.00  0.00           H  
-ATOM   1807 HD22 LEU   113      18.378  39.050  42.875  0.00  0.00           H  
-ATOM   1808 HD23 LEU   113      18.187  39.887  44.424  0.00  0.00           H  
-ATOM   1809  C   LEU   113      16.593  39.074  39.304  0.00  0.00           C  
-ATOM   1810  O   LEU   113      16.499  37.810  39.361  0.00  0.00           O  
-ATOM   1811  N   LEU   114      16.132  39.847  38.274  0.00  0.00           N  
-ATOM   1812  H   LEU   114      16.081  40.852  38.368  0.00  0.00           H  
-ATOM   1813  CA  LEU   114      16.005  39.235  36.942  0.00  0.00           C  
-ATOM   1814  HA  LEU   114      15.134  38.591  37.061  0.00  0.00           H  
-ATOM   1815  CB  LEU   114      15.556  40.304  35.950  0.00  0.00           C  
-ATOM   1816  HB2 LEU   114      14.751  40.882  36.405  0.00  0.00           H  
-ATOM   1817  HB3 LEU   114      16.375  40.959  35.653  0.00  0.00           H  
-ATOM   1818  CG  LEU   114      15.086  39.860  34.533  0.00  0.00           C  
-ATOM   1819  HG  LEU   114      15.875  39.225  34.131  0.00  0.00           H  
-ATOM   1820  CD1 LEU   114      13.771  38.996  34.523  0.00  0.00           C  
-ATOM   1821 HD11 LEU   114      13.676  38.607  33.510  0.00  0.00           H  
-ATOM   1822 HD12 LEU   114      13.825  38.174  35.237  0.00  0.00           H  
-ATOM   1823 HD13 LEU   114      12.868  39.563  34.753  0.00  0.00           H  
-ATOM   1824  CD2 LEU   114      14.932  41.055  33.564  0.00  0.00           C  
-ATOM   1825 HD21 LEU   114      14.309  41.866  33.941  0.00  0.00           H  
-ATOM   1826 HD22 LEU   114      15.963  41.368  33.398  0.00  0.00           H  
-ATOM   1827 HD23 LEU   114      14.524  40.652  32.638  0.00  0.00           H  
-ATOM   1828  C   LEU   114      17.218  38.411  36.456  0.00  0.00           C  
-ATOM   1829  O   LEU   114      17.013  37.277  36.081  0.00  0.00           O  
-ATOM   1830  N   PHE   115      18.441  38.916  36.469  0.00  0.00           N  
-ATOM   1831  H   PHE   115      18.645  39.833  36.839  0.00  0.00           H  
-ATOM   1832  CA  PHE   115      19.590  38.130  36.060  0.00  0.00           C  
-ATOM   1833  HA  PHE   115      19.438  37.725  35.059  0.00  0.00           H  
-ATOM   1834  CB  PHE   115      20.867  39.027  36.129  0.00  0.00           C  
-ATOM   1835  HB2 PHE   115      21.009  39.402  37.143  0.00  0.00           H  
-ATOM   1836  HB3 PHE   115      21.676  38.347  35.864  0.00  0.00           H  
-ATOM   1837  CG  PHE   115      21.002  40.200  35.177  0.00  0.00           C  
-ATOM   1838  CD1 PHE   115      20.615  40.081  33.799  0.00  0.00           C  
-ATOM   1839  HD1 PHE   115      20.193  39.146  33.463  0.00  0.00           H  
-ATOM   1840  CE1 PHE   115      20.784  41.166  32.984  0.00  0.00           C  
-ATOM   1841  HE1 PHE   115      20.557  41.082  31.932  0.00  0.00           H  
-ATOM   1842  CZ  PHE   115      21.525  42.314  33.422  0.00  0.00           C  
-ATOM   1843  HZ  PHE   115      21.830  43.098  32.745  0.00  0.00           H  
-ATOM   1844  CE2 PHE   115      22.011  42.357  34.772  0.00  0.00           C  
-ATOM   1845  HE2 PHE   115      22.580  43.230  35.056  0.00  0.00           H  
-ATOM   1846  CD2 PHE   115      21.757  41.274  35.671  0.00  0.00           C  
-ATOM   1847  HD2 PHE   115      22.196  41.263  36.657  0.00  0.00           H  
-ATOM   1848  C   PHE   115      19.807  36.870  36.902  0.00  0.00           C  
-ATOM   1849  O   PHE   115      19.932  35.784  36.384  0.00  0.00           O  
-ATOM   1850  N   ALA   116      19.613  36.951  38.190  0.00  0.00           N  
-ATOM   1851  H   ALA   116      19.591  37.871  38.606  0.00  0.00           H  
-ATOM   1852  CA  ALA   116      19.639  35.873  39.211  0.00  0.00           C  
-ATOM   1853  HA  ALA   116      20.598  35.362  39.289  0.00  0.00           H  
-ATOM   1854  CB  ALA   116      19.461  36.477  40.651  0.00  0.00           C  
-ATOM   1855  HB1 ALA   116      19.785  35.697  41.340  0.00  0.00           H  
-ATOM   1856  HB2 ALA   116      20.015  37.407  40.782  0.00  0.00           H  
-ATOM   1857  HB3 ALA   116      18.428  36.728  40.891  0.00  0.00           H  
-ATOM   1858  C   ALA   116      18.606  34.773  38.884  0.00  0.00           C  
-ATOM   1859  O   ALA   116      18.872  33.610  38.991  0.00  0.00           O  
-ATOM   1860  N   GLN   117      17.456  35.180  38.352  0.00  0.00           N  
-ATOM   1861  H   GLN   117      17.304  36.171  38.227  0.00  0.00           H  
-ATOM   1862  CA  GLN   117      16.365  34.274  37.916  0.00  0.00           C  
-ATOM   1863  HA  GLN   117      16.289  33.494  38.673  0.00  0.00           H  
-ATOM   1864  CB  GLN   117      15.111  35.107  37.937  0.00  0.00           C  
-ATOM   1865  HB2 GLN   117      15.041  35.755  38.811  0.00  0.00           H  
-ATOM   1866  HB3 GLN   117      15.100  35.855  37.145  0.00  0.00           H  
-ATOM   1867  CG  GLN   117      13.787  34.249  37.849  0.00  0.00           C  
-ATOM   1868  HG2 GLN   117      14.052  33.245  38.180  0.00  0.00           H  
-ATOM   1869  HG3 GLN   117      13.074  34.686  38.549  0.00  0.00           H  
-ATOM   1870  CD  GLN   117      13.312  34.083  36.432  0.00  0.00           C  
-ATOM   1871  OE1 GLN   117      12.355  34.721  36.031  0.00  0.00           O  
-ATOM   1872  NE2 GLN   117      13.785  33.181  35.615  0.00  0.00           N  
-ATOM   1873 HE21 GLN   117      14.781  33.044  35.707  0.00  0.00           H  
-ATOM   1874 HE22 GLN   117      13.235  32.804  34.856  0.00  0.00           H  
-ATOM   1875  C   GLN   117      16.645  33.600  36.580  0.00  0.00           C  
-ATOM   1876  O   GLN   117      16.400  32.392  36.443  0.00  0.00           O  
-ATOM   1877  N   GLN   118      17.168  34.280  35.580  0.00  0.00           N  
-ATOM   1878  H   GLN   118      17.267  35.284  35.634  0.00  0.00           H  
-ATOM   1879  CA  GLN   118      17.692  33.696  34.330  0.00  0.00           C  
-ATOM   1880  HA  GLN   118      16.895  33.202  33.774  0.00  0.00           H  
-ATOM   1881  CB  GLN   118      18.233  34.762  33.380  0.00  0.00           C  
-ATOM   1882  HB2 GLN   118      18.906  35.433  33.914  0.00  0.00           H  
-ATOM   1883  HB3 GLN   118      18.610  34.284  32.476  0.00  0.00           H  
-ATOM   1884  CG  GLN   118      17.038  35.603  32.843  0.00  0.00           C  
-ATOM   1885  HG2 GLN   118      16.348  35.024  32.230  0.00  0.00           H  
-ATOM   1886  HG3 GLN   118      16.319  35.922  33.597  0.00  0.00           H  
-ATOM   1887  CD  GLN   118      17.528  36.789  32.004  0.00  0.00           C  
-ATOM   1888  OE1 GLN   118      18.676  37.199  32.043  0.00  0.00           O  
-ATOM   1889  NE2 GLN   118      16.678  37.265  31.074  0.00  0.00           N  
-ATOM   1890 HE21 GLN   118      15.716  37.025  31.265  0.00  0.00           H  
-ATOM   1891 HE22 GLN   118      16.930  38.164  30.690  0.00  0.00           H  
-ATOM   1892  C   GLN   118      18.905  32.726  34.538  0.00  0.00           C  
-ATOM   1893  O   GLN   118      18.897  31.625  33.981  0.00  0.00           O  
-ATOM   1894  N   ILE   119      19.886  33.035  35.429  0.00  0.00           N  
-ATOM   1895  H   ILE   119      19.882  33.896  35.957  0.00  0.00           H  
-ATOM   1896  CA  ILE   119      20.966  32.067  35.853  0.00  0.00           C  
-ATOM   1897  HA  ILE   119      21.530  31.753  34.975  0.00  0.00           H  
-ATOM   1898  CB  ILE   119      21.918  32.671  36.899  0.00  0.00           C  
-ATOM   1899  HB  ILE   119      21.262  32.883  37.743  0.00  0.00           H  
-ATOM   1900  CG2 ILE   119      23.045  31.682  37.353  0.00  0.00           C  
-ATOM   1901 HG21 ILE   119      22.613  30.848  37.907  0.00  0.00           H  
-ATOM   1902 HG22 ILE   119      23.556  31.368  36.443  0.00  0.00           H  
-ATOM   1903 HG23 ILE   119      23.786  32.131  38.014  0.00  0.00           H  
-ATOM   1904  CG1 ILE   119      22.654  33.917  36.406  0.00  0.00           C  
-ATOM   1905 HG12 ILE   119      23.296  33.633  35.572  0.00  0.00           H  
-ATOM   1906 HG13 ILE   119      21.953  34.626  35.965  0.00  0.00           H  
-ATOM   1907  CD1 ILE   119      23.274  34.758  37.507  0.00  0.00           C  
-ATOM   1908 HD11 ILE   119      24.301  34.395  37.551  0.00  0.00           H  
-ATOM   1909 HD12 ILE   119      23.166  35.786  37.161  0.00  0.00           H  
-ATOM   1910 HD13 ILE   119      22.841  34.681  38.504  0.00  0.00           H  
-ATOM   1911  C   ILE   119      20.418  30.800  36.413  0.00  0.00           C  
-ATOM   1912  O   ILE   119      20.683  29.732  35.919  0.00  0.00           O  
-ATOM   1913  N   CYS   120      19.337  30.925  37.265  0.00  0.00           N  
-ATOM   1914  H   CYS   120      18.961  31.859  37.342  0.00  0.00           H  
-ATOM   1915  CA  CYS   120      18.619  29.820  37.781  0.00  0.00           C  
-ATOM   1916  HA  CYS   120      19.293  29.116  38.270  0.00  0.00           H  
-ATOM   1917  CB  CYS   120      17.571  30.392  38.790  0.00  0.00           C  
-ATOM   1918  HB2 CYS   120      17.045  31.272  38.418  0.00  0.00           H  
-ATOM   1919  HB3 CYS   120      16.780  29.654  38.925  0.00  0.00           H  
-ATOM   1920  SG  CYS   120      18.329  30.773  40.447  0.00  0.00           S  
-ATOM   1921  HG  CYS   120      18.742  31.981  40.053  0.00  0.00           H  
-ATOM   1922  C   CYS   120      17.855  29.135  36.704  0.00  0.00           C  
-ATOM   1923  O   CYS   120      17.771  27.880  36.834  0.00  0.00           O  
-ATOM   1924  N   GLU   121      17.231  29.691  35.659  0.00  0.00           N  
-ATOM   1925  H   GLU   121      17.324  30.694  35.586  0.00  0.00           H  
-ATOM   1926  CA  GLU   121      16.629  28.868  34.582  0.00  0.00           C  
-ATOM   1927  HA  GLU   121      15.998  28.195  35.162  0.00  0.00           H  
-ATOM   1928  CB  GLU   121      15.821  29.792  33.531  0.00  0.00           C  
-ATOM   1929  HB2 GLU   121      15.358  30.581  34.123  0.00  0.00           H  
-ATOM   1930  HB3 GLU   121      16.536  30.223  32.829  0.00  0.00           H  
-ATOM   1931  CG  GLU   121      14.779  28.878  32.800  0.00  0.00           C  
-ATOM   1932  HG2 GLU   121      15.265  28.028  32.321  0.00  0.00           H  
-ATOM   1933  HG3 GLU   121      14.161  28.412  33.567  0.00  0.00           H  
-ATOM   1934  CD  GLU   121      13.833  29.582  31.877  0.00  0.00           C  
-ATOM   1935  OE1 GLU   121      13.010  30.388  32.357  0.00  0.00           O  
-ATOM   1936  OE2 GLU   121      13.900  29.422  30.636  0.00  0.00           O  
-ATOM   1937  C   GLU   121      17.616  28.054  33.779  0.00  0.00           C  
-ATOM   1938  O   GLU   121      17.277  26.909  33.429  0.00  0.00           O  
-ATOM   1939  N   GLY   122      18.766  28.639  33.432  0.00  0.00           N  
-ATOM   1940  H   GLY   122      18.875  29.639  33.524  0.00  0.00           H  
-ATOM   1941  CA  GLY   122      19.906  27.824  32.889  0.00  0.00           C  
-ATOM   1942  HA2 GLY   122      19.625  27.345  31.951  0.00  0.00           H  
-ATOM   1943  HA3 GLY   122      20.757  28.471  32.674  0.00  0.00           H  
-ATOM   1944  C   GLY   122      20.455  26.659  33.803  0.00  0.00           C  
-ATOM   1945  O   GLY   122      20.797  25.598  33.287  0.00  0.00           O  
-ATOM   1946  N   MET   123      20.529  26.919  35.124  0.00  0.00           N  
-ATOM   1947  H   MET   123      20.215  27.817  35.463  0.00  0.00           H  
-ATOM   1948  CA  MET   123      20.783  25.888  36.083  0.00  0.00           C  
-ATOM   1949  HA  MET   123      21.613  25.305  35.684  0.00  0.00           H  
-ATOM   1950  CB  MET   123      21.053  26.388  37.475  0.00  0.00           C  
-ATOM   1951  HB2 MET   123      20.199  26.854  37.965  0.00  0.00           H  
-ATOM   1952  HB3 MET   123      21.212  25.475  38.049  0.00  0.00           H  
-ATOM   1953  CG  MET   123      22.302  27.323  37.553  0.00  0.00           C  
-ATOM   1954  HG2 MET   123      22.163  28.170  36.880  0.00  0.00           H  
-ATOM   1955  HG3 MET   123      22.349  27.666  38.586  0.00  0.00           H  
-ATOM   1956  SD  MET   123      23.876  26.562  36.872  0.00  0.00           S  
-ATOM   1957  CE  MET   123      24.329  25.461  38.203  0.00  0.00           C  
-ATOM   1958  HE1 MET   123      24.406  26.055  39.114  0.00  0.00           H  
-ATOM   1959  HE2 MET   123      23.548  24.709  38.312  0.00  0.00           H  
-ATOM   1960  HE3 MET   123      25.332  25.079  38.013  0.00  0.00           H  
-ATOM   1961  C   MET   123      19.710  24.836  36.199  0.00  0.00           C  
-ATOM   1962  O   MET   123      19.983  23.618  36.338  0.00  0.00           O  
-ATOM   1963  N   ALA   124      18.389  25.211  36.158  0.00  0.00           N  
-ATOM   1964  H   ALA   124      18.162  26.179  35.982  0.00  0.00           H  
-ATOM   1965  CA  ALA   124      17.396  24.171  36.150  0.00  0.00           C  
-ATOM   1966  HA  ALA   124      17.483  23.486  36.993  0.00  0.00           H  
-ATOM   1967  CB  ALA   124      16.014  24.765  36.275  0.00  0.00           C  
-ATOM   1968  HB1 ALA   124      15.927  25.353  35.362  0.00  0.00           H  
-ATOM   1969  HB2 ALA   124      15.262  23.977  36.240  0.00  0.00           H  
-ATOM   1970  HB3 ALA   124      16.010  25.400  37.162  0.00  0.00           H  
-ATOM   1971  C   ALA   124      17.464  23.281  34.884  0.00  0.00           C  
-ATOM   1972  O   ALA   124      17.064  22.145  34.960  0.00  0.00           O  
-ATOM   1973  N   TYR   125      17.989  23.797  33.761  0.00  0.00           N  
-ATOM   1974  H   TYR   125      18.281  24.760  33.848  0.00  0.00           H  
-ATOM   1975  CA  TYR   125      18.287  23.030  32.553  0.00  0.00           C  
-ATOM   1976  HA  TYR   125      17.435  22.371  32.386  0.00  0.00           H  
-ATOM   1977  CB  TYR   125      18.398  23.943  31.352  0.00  0.00           C  
-ATOM   1978  HB2 TYR   125      17.415  24.334  31.090  0.00  0.00           H  
-ATOM   1979  HB3 TYR   125      19.140  24.728  31.500  0.00  0.00           H  
-ATOM   1980  CG  TYR   125      18.863  23.156  30.108  0.00  0.00           C  
-ATOM   1981  CD1 TYR   125      17.855  22.628  29.279  0.00  0.00           C  
-ATOM   1982  HD1 TYR   125      16.795  22.835  29.299  0.00  0.00           H  
-ATOM   1983  CE1 TYR   125      18.259  21.703  28.269  0.00  0.00           C  
-ATOM   1984  HE1 TYR   125      17.458  21.214  27.735  0.00  0.00           H  
-ATOM   1985  CZ  TYR   125      19.591  21.449  28.039  0.00  0.00           C  
-ATOM   1986  OH  TYR   125      19.921  20.706  26.955  0.00  0.00           O  
-ATOM   1987  HH  TYR   125      19.206  20.330  26.436  0.00  0.00           H  
-ATOM   1988  CE2 TYR   125      20.601  22.047  28.825  0.00  0.00           C  
-ATOM   1989  HE2 TYR   125      21.637  21.770  28.692  0.00  0.00           H  
-ATOM   1990  CD2 TYR   125      20.216  22.871  29.888  0.00  0.00           C  
-ATOM   1991  HD2 TYR   125      20.935  23.130  30.652  0.00  0.00           H  
-ATOM   1992  C   TYR   125      19.442  22.047  32.700  0.00  0.00           C  
-ATOM   1993  O   TYR   125      19.236  20.834  32.521  0.00  0.00           O  
-ATOM   1994  N   LEU   126      20.585  22.557  33.267  0.00  0.00           N  
-ATOM   1995  H   LEU   126      20.517  23.531  33.525  0.00  0.00           H  
-ATOM   1996  CA  LEU   126      21.761  21.685  33.486  0.00  0.00           C  
-ATOM   1997  HA  LEU   126      22.015  21.233  32.527  0.00  0.00           H  
-ATOM   1998  CB  LEU   126      22.967  22.524  34.001  0.00  0.00           C  
-ATOM   1999  HB2 LEU   126      22.987  23.363  33.306  0.00  0.00           H  
-ATOM   2000  HB3 LEU   126      22.759  23.002  34.958  0.00  0.00           H  
-ATOM   2001  CG  LEU   126      24.356  21.926  34.041  0.00  0.00           C  
-ATOM   2002  HG  LEU   126      24.150  20.884  34.285  0.00  0.00           H  
-ATOM   2003  CD1 LEU   126      24.796  21.886  32.586  0.00  0.00           C  
-ATOM   2004 HD11 LEU   126      25.812  21.513  32.456  0.00  0.00           H  
-ATOM   2005 HD12 LEU   126      24.119  21.337  31.931  0.00  0.00           H  
-ATOM   2006 HD13 LEU   126      24.881  22.921  32.253  0.00  0.00           H  
-ATOM   2007  CD2 LEU   126      25.341  22.667  35.000  0.00  0.00           C  
-ATOM   2008 HD21 LEU   126      26.286  22.186  34.747  0.00  0.00           H  
-ATOM   2009 HD22 LEU   126      25.562  23.710  34.774  0.00  0.00           H  
-ATOM   2010 HD23 LEU   126      25.098  22.513  36.051  0.00  0.00           H  
-ATOM   2011  C   LEU   126      21.429  20.495  34.513  0.00  0.00           C  
-ATOM   2012  O   LEU   126      21.851  19.341  34.325  0.00  0.00           O  
-ATOM   2013  N   HIE   127      20.605  20.782  35.475  0.00  0.00           N  
-ATOM   2014  H   HIE   127      20.307  21.742  35.568  0.00  0.00           H  
-ATOM   2015  CA  HIE   127      20.246  19.840  36.556  0.00  0.00           C  
-ATOM   2016  HA  HIE   127      21.166  19.391  36.929  0.00  0.00           H  
-ATOM   2017  CB  HIE   127      19.825  20.676  37.729  0.00  0.00           C  
-ATOM   2018  HB2 HIE   127      18.970  21.274  37.414  0.00  0.00           H  
-ATOM   2019  HB3 HIE   127      19.399  20.016  38.484  0.00  0.00           H  
-ATOM   2020  CG  HIE   127      20.899  21.533  38.400  0.00  0.00           C  
-ATOM   2021  ND1 HIE   127      20.858  21.789  39.749  0.00  0.00           N  
-ATOM   2022  CE1 HIE   127      22.066  22.251  40.115  0.00  0.00           C  
-ATOM   2023  HE1 HIE   127      22.353  22.506  41.125  0.00  0.00           H  
-ATOM   2024  NE2 HIE   127      22.868  22.309  39.073  0.00  0.00           N  
-ATOM   2025  HE2 HIE   127      23.874  22.391  39.077  0.00  0.00           H  
-ATOM   2026  CD2 HIE   127      22.152  21.853  37.930  0.00  0.00           C  
-ATOM   2027  HD2 HIE   127      22.510  21.575  36.949  0.00  0.00           H  
-ATOM   2028  C   HIE   127      19.174  18.855  36.109  0.00  0.00           C  
-ATOM   2029  O   HIE   127      19.139  17.726  36.557  0.00  0.00           O  
-ATOM   2030  N   ALA   128      18.395  19.202  35.117  0.00  0.00           N  
-ATOM   2031  H   ALA   128      18.663  20.003  34.563  0.00  0.00           H  
-ATOM   2032  CA  ALA   128      17.507  18.258  34.488  0.00  0.00           C  
-ATOM   2033  HA  ALA   128      17.085  17.496  35.143  0.00  0.00           H  
-ATOM   2034  CB  ALA   128      16.271  18.940  33.937  0.00  0.00           C  
-ATOM   2035  HB1 ALA   128      16.409  19.636  33.109  0.00  0.00           H  
-ATOM   2036  HB2 ALA   128      15.681  18.095  33.583  0.00  0.00           H  
-ATOM   2037  HB3 ALA   128      15.711  19.466  34.710  0.00  0.00           H  
-ATOM   2038  C   ALA   128      18.171  17.397  33.334  0.00  0.00           C  
-ATOM   2039  O   ALA   128      17.873  16.242  33.164  0.00  0.00           O  
-ATOM   2040  N   GLN   129      19.142  17.937  32.604  0.00  0.00           N  
-ATOM   2041  H   GLN   129      19.280  18.931  32.719  0.00  0.00           H  
-ATOM   2042  CA  GLN   129      20.154  17.164  31.797  0.00  0.00           C  
-ATOM   2043  HA  GLN   129      19.482  16.480  31.279  0.00  0.00           H  
-ATOM   2044  CB  GLN   129      21.118  18.011  30.917  0.00  0.00           C  
-ATOM   2045  HB2 GLN   129      21.773  18.556  31.596  0.00  0.00           H  
-ATOM   2046  HB3 GLN   129      21.783  17.386  30.321  0.00  0.00           H  
-ATOM   2047  CG  GLN   129      20.324  18.922  29.928  0.00  0.00           C  
-ATOM   2048  HG2 GLN   129      19.781  19.652  30.529  0.00  0.00           H  
-ATOM   2049  HG3 GLN   129      21.093  19.302  29.256  0.00  0.00           H  
-ATOM   2050  CD  GLN   129      19.453  18.050  29.045  0.00  0.00           C  
-ATOM   2051  OE1 GLN   129      19.959  17.366  28.114  0.00  0.00           O  
-ATOM   2052  NE2 GLN   129      18.142  17.953  29.223  0.00  0.00           N  
-ATOM   2053 HE21 GLN   129      17.606  18.625  29.755  0.00  0.00           H  
-ATOM   2054 HE22 GLN   129      17.696  17.179  28.752  0.00  0.00           H  
-ATOM   2055  C   GLN   129      21.089  16.233  32.594  0.00  0.00           C  
-ATOM   2056  O   GLN   129      21.954  15.616  31.937  0.00  0.00           O  
-ATOM   2057  N   HID   130      20.870  16.152  33.917  0.00  0.00           N  
-ATOM   2058  H   HID   130      19.938  16.442  34.175  0.00  0.00           H  
-ATOM   2059  CA  HID   130      21.699  15.455  35.003  0.00  0.00           C  
-ATOM   2060  HA  HID   130      21.325  15.902  35.924  0.00  0.00           H  
-ATOM   2061  CB  HID   130      21.478  13.938  35.002  0.00  0.00           C  
-ATOM   2062  HB2 HID   130      21.798  13.573  34.026  0.00  0.00           H  
-ATOM   2063  HB3 HID   130      22.094  13.440  35.751  0.00  0.00           H  
-ATOM   2064  CG  HID   130      20.018  13.586  35.312  0.00  0.00           C  
-ATOM   2065  ND1 HID   130      19.487  12.318  35.048  0.00  0.00           N  
-ATOM   2066  HD1 HID   130      20.057  11.668  34.526  0.00  0.00           H  
-ATOM   2067  CE1 HID   130      18.279  12.265  35.512  0.00  0.00           C  
-ATOM   2068  HE1 HID   130      17.641  11.422  35.296  0.00  0.00           H  
-ATOM   2069  NE2 HID   130      17.929  13.400  36.173  0.00  0.00           N  
-ATOM   2070  CD2 HID   130      19.032  14.232  36.049  0.00  0.00           C  
-ATOM   2071  HD2 HID   130      19.201  15.221  36.449  0.00  0.00           H  
-ATOM   2072  C   HID   130      23.206  15.852  35.014  0.00  0.00           C  
-ATOM   2073  O   HID   130      24.027  15.135  35.546  0.00  0.00           O  
-ATOM   2074  N   TYR   131      23.582  17.089  34.623  0.00  0.00           N  
-ATOM   2075  H   TYR   131      22.778  17.621  34.323  0.00  0.00           H  
-ATOM   2076  CA  TYR   131      24.862  17.780  34.799  0.00  0.00           C  
-ATOM   2077  HA  TYR   131      25.582  17.021  35.102  0.00  0.00           H  
-ATOM   2078  CB  TYR   131      25.350  18.448  33.505  0.00  0.00           C  
-ATOM   2079  HB2 TYR   131      24.549  19.070  33.108  0.00  0.00           H  
-ATOM   2080  HB3 TYR   131      26.217  19.042  33.796  0.00  0.00           H  
-ATOM   2081  CG  TYR   131      25.714  17.526  32.449  0.00  0.00           C  
-ATOM   2082  CD1 TYR   131      27.018  17.113  32.297  0.00  0.00           C  
-ATOM   2083  HD1 TYR   131      27.847  17.376  32.937  0.00  0.00           H  
-ATOM   2084  CE1 TYR   131      27.349  16.240  31.141  0.00  0.00           C  
-ATOM   2085  HE1 TYR   131      28.368  15.891  31.065  0.00  0.00           H  
-ATOM   2086  CZ  TYR   131      26.374  16.055  30.139  0.00  0.00           C  
-ATOM   2087  OH  TYR   131      26.729  15.284  29.079  0.00  0.00           O  
-ATOM   2088  HH  TYR   131      25.986  14.950  28.572  0.00  0.00           H  
-ATOM   2089  CE2 TYR   131      25.012  16.375  30.427  0.00  0.00           C  
-ATOM   2090  HE2 TYR   131      24.281  16.107  29.679  0.00  0.00           H  
-ATOM   2091  CD2 TYR   131      24.751  17.215  31.523  0.00  0.00           C  
-ATOM   2092  HD2 TYR   131      23.753  17.539  31.781  0.00  0.00           H  
-ATOM   2093  C   TYR   131      24.796  18.716  36.005  0.00  0.00           C  
-ATOM   2094  O   TYR   131      23.840  19.469  36.209  0.00  0.00           O  
-ATOM   2095  N   ILE   132      25.918  18.737  36.725  0.00  0.00           N  
-ATOM   2096  H   ILE   132      26.710  18.180  36.437  0.00  0.00           H  
-ATOM   2097  CA  ILE   132      26.224  19.762  37.670  0.00  0.00           C  
-ATOM   2098  HA  ILE   132      25.321  20.368  37.746  0.00  0.00           H  
-ATOM   2099  CB  ILE   132      26.391  19.134  39.119  0.00  0.00           C  
-ATOM   2100  HB  ILE   132      26.638  20.006  39.725  0.00  0.00           H  
-ATOM   2101  CG2 ILE   132      24.968  18.513  39.550  0.00  0.00           C  
-ATOM   2102 HG21 ILE   132      24.747  17.615  38.973  0.00  0.00           H  
-ATOM   2103 HG22 ILE   132      24.852  18.330  40.618  0.00  0.00           H  
-ATOM   2104 HG23 ILE   132      24.202  19.246  39.297  0.00  0.00           H  
-ATOM   2105  CG1 ILE   132      27.509  18.115  39.335  0.00  0.00           C  
-ATOM   2106 HG12 ILE   132      27.326  17.531  40.237  0.00  0.00           H  
-ATOM   2107 HG13 ILE   132      27.490  17.531  38.415  0.00  0.00           H  
-ATOM   2108  CD1 ILE   132      28.928  18.529  39.596  0.00  0.00           C  
-ATOM   2109 HD11 ILE   132      29.360  19.077  38.759  0.00  0.00           H  
-ATOM   2110 HD12 ILE   132      28.889  19.180  40.469  0.00  0.00           H  
-ATOM   2111 HD13 ILE   132      29.618  17.701  39.759  0.00  0.00           H  
-ATOM   2112  C   ILE   132      27.471  20.541  37.233  0.00  0.00           C  
-ATOM   2113  O   ILE   132      28.288  20.017  36.441  0.00  0.00           O  
-ATOM   2114  N   HIE   133      27.621  21.804  37.666  0.00  0.00           N  
-ATOM   2115  H   HIE   133      26.871  22.031  38.304  0.00  0.00           H  
-ATOM   2116  CA  HIE   133      28.624  22.739  37.115  0.00  0.00           C  
-ATOM   2117  HA  HIE   133      28.990  22.325  36.176  0.00  0.00           H  
-ATOM   2118  CB  HIE   133      28.018  24.104  37.004  0.00  0.00           C  
-ATOM   2119  HB2 HIE   133      27.225  24.047  36.258  0.00  0.00           H  
-ATOM   2120  HB3 HIE   133      27.626  24.473  37.952  0.00  0.00           H  
-ATOM   2121  CG  HIE   133      28.821  25.208  36.311  0.00  0.00           C  
-ATOM   2122  ND1 HIE   133      29.009  26.556  36.686  0.00  0.00           N  
-ATOM   2123  CE1 HIE   133      29.895  27.062  35.775  0.00  0.00           C  
-ATOM   2124  HE1 HIE   133      30.263  28.077  35.804  0.00  0.00           H  
-ATOM   2125  NE2 HIE   133      30.280  26.161  34.868  0.00  0.00           N  
-ATOM   2126  HE2 HIE   133      30.982  26.268  34.149  0.00  0.00           H  
-ATOM   2127  CD2 HIE   133      29.650  24.947  35.276  0.00  0.00           C  
-ATOM   2128  HD2 HIE   133      29.688  24.040  34.690  0.00  0.00           H  
-ATOM   2129  C   HIE   133      29.867  22.861  38.014  0.00  0.00           C  
-ATOM   2130  O   HIE   133      30.947  22.885  37.461  0.00  0.00           O  
-ATOM   2131  N   ARG   134      29.714  22.828  39.354  0.00  0.00           N  
-ATOM   2132  H   ARG   134      28.753  22.859  39.664  0.00  0.00           H  
-ATOM   2133  CA  ARG   134      30.795  22.819  40.344  0.00  0.00           C  
-ATOM   2134  HA  ARG   134      30.322  23.030  41.303  0.00  0.00           H  
-ATOM   2135  CB  ARG   134      31.390  21.413  40.566  0.00  0.00           C  
-ATOM   2136  HB2 ARG   134      32.141  21.492  41.352  0.00  0.00           H  
-ATOM   2137  HB3 ARG   134      30.587  20.757  40.902  0.00  0.00           H  
-ATOM   2138  CG  ARG   134      32.060  20.691  39.396  0.00  0.00           C  
-ATOM   2139  HG2 ARG   134      31.338  20.347  38.654  0.00  0.00           H  
-ATOM   2140  HG3 ARG   134      32.698  21.391  38.858  0.00  0.00           H  
-ATOM   2141  CD  ARG   134      32.827  19.367  39.768  0.00  0.00           C  
-ATOM   2142  HD2 ARG   134      32.186  18.948  40.543  0.00  0.00           H  
-ATOM   2143  HD3 ARG   134      32.975  18.666  38.947  0.00  0.00           H  
-ATOM   2144  NE  ARG   134      34.075  19.809  40.369  0.00  0.00           N  
-ATOM   2145  HE  ARG   134      34.132  20.425  41.167  0.00  0.00           H  
-ATOM   2146  CZ  ARG   134      35.214  19.580  39.829  0.00  0.00           C  
-ATOM   2147  NH1 ARG   134      35.400  19.076  38.665  0.00  0.00           N  
-ATOM   2148 HH11 ARG   134      34.562  18.849  38.149  0.00  0.00           H  
-ATOM   2149 HH12 ARG   134      36.338  18.887  38.344  0.00  0.00           H  
-ATOM   2150  NH2 ARG   134      36.371  19.815  40.470  0.00  0.00           N  
-ATOM   2151 HH21 ARG   134      36.475  20.188  41.403  0.00  0.00           H  
-ATOM   2152 HH22 ARG   134      37.258  19.559  40.060  0.00  0.00           H  
-ATOM   2153  C   ARG   134      31.920  23.948  40.196  0.00  0.00           C  
-ATOM   2154  O   ARG   134      33.002  23.700  40.659  0.00  0.00           O  
-ATOM   2155  N   ASP   135      31.542  25.035  39.538  0.00  0.00           N  
-ATOM   2156  H   ASP   135      30.634  24.966  39.101  0.00  0.00           H  
-ATOM   2157  CA  ASP   135      32.457  26.169  39.211  0.00  0.00           C  
-ATOM   2158  HA  ASP   135      33.297  26.041  39.894  0.00  0.00           H  
-ATOM   2159  CB  ASP   135      33.044  26.002  37.836  0.00  0.00           C  
-ATOM   2160  HB2 ASP   135      33.462  25.020  37.613  0.00  0.00           H  
-ATOM   2161  HB3 ASP   135      32.201  26.120  37.155  0.00  0.00           H  
-ATOM   2162  CG  ASP   135      34.149  26.991  37.601  0.00  0.00           C  
-ATOM   2163  OD1 ASP   135      35.094  27.200  38.416  0.00  0.00           O  
-ATOM   2164  OD2 ASP   135      34.214  27.689  36.513  0.00  0.00           O  
-ATOM   2165  C   ASP   135      31.796  27.553  39.419  0.00  0.00           C  
-ATOM   2166  O   ASP   135      32.471  28.553  39.203  0.00  0.00           O  
-ATOM   2167  N   LEU   136      30.530  27.653  39.683  0.00  0.00           N  
-ATOM   2168  H   LEU   136      30.070  26.754  39.690  0.00  0.00           H  
-ATOM   2169  CA  LEU   136      29.714  28.841  39.496  0.00  0.00           C  
-ATOM   2170  HA  LEU   136      29.850  29.189  38.472  0.00  0.00           H  
-ATOM   2171  CB  LEU   136      28.195  28.512  39.606  0.00  0.00           C  
-ATOM   2172  HB2 LEU   136      27.959  27.622  39.023  0.00  0.00           H  
-ATOM   2173  HB3 LEU   136      27.962  28.339  40.657  0.00  0.00           H  
-ATOM   2174  CG  LEU   136      27.325  29.658  39.104  0.00  0.00           C  
-ATOM   2175  HG  LEU   136      27.427  30.511  39.775  0.00  0.00           H  
-ATOM   2176  CD1 LEU   136      27.579  30.271  37.766  0.00  0.00           C  
-ATOM   2177 HD11 LEU   136      28.569  30.728  37.774  0.00  0.00           H  
-ATOM   2178 HD12 LEU   136      27.640  29.396  37.120  0.00  0.00           H  
-ATOM   2179 HD13 LEU   136      26.788  30.936  37.418  0.00  0.00           H  
-ATOM   2180  CD2 LEU   136      25.885  29.276  39.199  0.00  0.00           C  
-ATOM   2181 HD21 LEU   136      25.579  28.923  40.184  0.00  0.00           H  
-ATOM   2182 HD22 LEU   136      25.265  30.143  38.970  0.00  0.00           H  
-ATOM   2183 HD23 LEU   136      25.580  28.545  38.450  0.00  0.00           H  
-ATOM   2184  C   LEU   136      30.134  29.987  40.436  0.00  0.00           C  
-ATOM   2185  O   LEU   136      29.716  30.064  41.609  0.00  0.00           O  
-ATOM   2186  N   ALA   137      30.846  30.947  39.900  0.00  0.00           N  
-ATOM   2187  H   ALA   137      31.091  30.833  38.927  0.00  0.00           H  
-ATOM   2188  CA  ALA   137      31.188  32.309  40.413  0.00  0.00           C  
-ATOM   2189  HA  ALA   137      30.638  32.486  41.337  0.00  0.00           H  
-ATOM   2190  CB  ALA   137      32.649  32.252  40.864  0.00  0.00           C  
-ATOM   2191  HB1 ALA   137      33.277  31.998  40.010  0.00  0.00           H  
-ATOM   2192  HB2 ALA   137      33.056  33.133  41.361  0.00  0.00           H  
-ATOM   2193  HB3 ALA   137      32.699  31.385  41.524  0.00  0.00           H  
-ATOM   2194  C   ALA   137      30.924  33.410  39.350  0.00  0.00           C  
-ATOM   2195  O   ALA   137      30.836  33.079  38.120  0.00  0.00           O  
-ATOM   2196  N   ALA   138      30.916  34.708  39.732  0.00  0.00           N  
-ATOM   2197  H   ALA   138      31.012  34.965  40.703  0.00  0.00           H  
-ATOM   2198  CA  ALA   138      30.404  35.788  38.871  0.00  0.00           C  
-ATOM   2199  HA  ALA   138      29.355  35.610  38.632  0.00  0.00           H  
-ATOM   2200  CB  ALA   138      30.417  37.020  39.630  0.00  0.00           C  
-ATOM   2201  HB1 ALA   138      29.399  37.391  39.750  0.00  0.00           H  
-ATOM   2202  HB2 ALA   138      30.925  36.839  40.578  0.00  0.00           H  
-ATOM   2203  HB3 ALA   138      30.967  37.754  39.041  0.00  0.00           H  
-ATOM   2204  C   ALA   138      31.089  35.804  37.460  0.00  0.00           C  
-ATOM   2205  O   ALA   138      30.553  36.255  36.444  0.00  0.00           O  
-ATOM   2206  N   ARG   139      32.393  35.382  37.368  0.00  0.00           N  
-ATOM   2207  H   ARG   139      32.894  35.091  38.195  0.00  0.00           H  
-ATOM   2208  CA  ARG   139      33.178  35.080  36.137  0.00  0.00           C  
-ATOM   2209  HA  ARG   139      33.340  36.043  35.652  0.00  0.00           H  
-ATOM   2210  CB  ARG   139      34.533  34.598  36.601  0.00  0.00           C  
-ATOM   2211  HB2 ARG   139      35.215  34.628  35.751  0.00  0.00           H  
-ATOM   2212  HB3 ARG   139      35.025  35.373  37.189  0.00  0.00           H  
-ATOM   2213  CG  ARG   139      34.612  33.206  37.252  0.00  0.00           C  
-ATOM   2214  HG2 ARG   139      33.960  33.309  38.119  0.00  0.00           H  
-ATOM   2215  HG3 ARG   139      34.289  32.461  36.524  0.00  0.00           H  
-ATOM   2216  CD  ARG   139      36.017  32.889  37.681  0.00  0.00           C  
-ATOM   2217  HD2 ARG   139      36.514  32.682  36.733  0.00  0.00           H  
-ATOM   2218  HD3 ARG   139      36.629  33.703  38.070  0.00  0.00           H  
-ATOM   2219  NE  ARG   139      35.985  31.839  38.739  0.00  0.00           N  
-ATOM   2220  HE  ARG   139      36.331  32.190  39.621  0.00  0.00           H  
-ATOM   2221  CZ  ARG   139      35.400  30.617  38.615  0.00  0.00           C  
-ATOM   2222  NH1 ARG   139      35.011  29.877  39.583  0.00  0.00           N  
-ATOM   2223 HH11 ARG   139      35.243  30.139  40.530  0.00  0.00           H  
-ATOM   2224 HH12 ARG   139      34.344  29.146  39.382  0.00  0.00           H  
-ATOM   2225  NH2 ARG   139      35.059  30.119  37.480  0.00  0.00           N  
-ATOM   2226 HH21 ARG   139      35.362  30.512  36.600  0.00  0.00           H  
-ATOM   2227 HH22 ARG   139      34.536  29.257  37.435  0.00  0.00           H  
-ATOM   2228  C   ARG   139      32.582  34.249  34.990  0.00  0.00           C  
-ATOM   2229  O   ARG   139      32.800  34.602  33.828  0.00  0.00           O  
-ATOM   2230  N   ASN   140      31.811  33.166  35.317  0.00  0.00           N  
-ATOM   2231  H   ASN   140      31.676  32.935  36.291  0.00  0.00           H  
-ATOM   2232  CA  ASN   140      31.150  32.280  34.338  0.00  0.00           C  
-ATOM   2233  HA  ASN   140      31.853  32.031  33.543  0.00  0.00           H  
-ATOM   2234  CB  ASN   140      30.665  30.990  35.089  0.00  0.00           C  
-ATOM   2235  HB2 ASN   140      29.981  31.303  35.879  0.00  0.00           H  
-ATOM   2236  HB3 ASN   140      30.123  30.326  34.416  0.00  0.00           H  
-ATOM   2237  CG  ASN   140      31.813  30.285  35.768  0.00  0.00           C  
-ATOM   2238  OD1 ASN   140      32.069  30.450  36.914  0.00  0.00           O  
-ATOM   2239  ND2 ASN   140      32.560  29.473  35.074  0.00  0.00           N  
-ATOM   2240 HD21 ASN   140      32.402  29.256  34.100  0.00  0.00           H  
-ATOM   2241 HD22 ASN   140      33.132  28.889  35.666  0.00  0.00           H  
-ATOM   2242  C   ASN   140      29.926  32.951  33.687  0.00  0.00           C  
-ATOM   2243  O   ASN   140      29.375  32.339  32.769  0.00  0.00           O  
-ATOM   2244  N   VAL   141      29.380  33.970  34.317  0.00  0.00           N  
-ATOM   2245  H   VAL   141      29.757  34.252  35.210  0.00  0.00           H  
-ATOM   2246  CA  VAL   141      28.129  34.628  33.998  0.00  0.00           C  
-ATOM   2247  HA  VAL   141      27.574  33.809  33.541  0.00  0.00           H  
-ATOM   2248  CB  VAL   141      27.363  35.252  35.218  0.00  0.00           C  
-ATOM   2249  HB  VAL   141      27.867  36.150  35.575  0.00  0.00           H  
-ATOM   2250  CG1 VAL   141      25.970  35.577  34.766  0.00  0.00           C  
-ATOM   2251 HG11 VAL   141      26.004  36.251  33.910  0.00  0.00           H  
-ATOM   2252 HG12 VAL   141      25.461  34.650  34.503  0.00  0.00           H  
-ATOM   2253 HG13 VAL   141      25.364  35.971  35.582  0.00  0.00           H  
-ATOM   2254  CG2 VAL   141      27.219  34.318  36.455  0.00  0.00           C  
-ATOM   2255 HG21 VAL   141      26.638  33.447  36.153  0.00  0.00           H  
-ATOM   2256 HG22 VAL   141      28.188  33.924  36.762  0.00  0.00           H  
-ATOM   2257 HG23 VAL   141      26.673  34.680  37.326  0.00  0.00           H  
-ATOM   2258  C   VAL   141      28.350  35.709  32.895  0.00  0.00           C  
-ATOM   2259  O   VAL   141      29.195  36.611  33.126  0.00  0.00           O  
-ATOM   2260  N   LEU   142      27.706  35.591  31.743  0.00  0.00           N  
-ATOM   2261  H   LEU   142      27.133  34.768  31.616  0.00  0.00           H  
-ATOM   2262  CA  LEU   142      27.916  36.415  30.565  0.00  0.00           C  
-ATOM   2263  HA  LEU   142      28.707  37.152  30.705  0.00  0.00           H  
-ATOM   2264  CB  LEU   142      28.361  35.616  29.253  0.00  0.00           C  
-ATOM   2265  HB2 LEU   142      27.573  34.929  28.944  0.00  0.00           H  
-ATOM   2266  HB3 LEU   142      28.713  36.325  28.504  0.00  0.00           H  
-ATOM   2267  CG  LEU   142      29.528  34.650  29.529  0.00  0.00           C  
-ATOM   2268  HG  LEU   142      29.305  34.009  30.381  0.00  0.00           H  
-ATOM   2269  CD1 LEU   142      29.715  33.789  28.253  0.00  0.00           C  
-ATOM   2270 HD11 LEU   142      29.907  34.547  27.493  0.00  0.00           H  
-ATOM   2271 HD12 LEU   142      30.582  33.132  28.315  0.00  0.00           H  
-ATOM   2272 HD13 LEU   142      28.836  33.192  28.010  0.00  0.00           H  
-ATOM   2273  CD2 LEU   142      30.744  35.553  29.802  0.00  0.00           C  
-ATOM   2274 HD21 LEU   142      31.574  34.849  29.866  0.00  0.00           H  
-ATOM   2275 HD22 LEU   142      30.864  36.196  28.931  0.00  0.00           H  
-ATOM   2276 HD23 LEU   142      30.798  36.129  30.726  0.00  0.00           H  
-ATOM   2277  C   LEU   142      26.596  37.147  30.218  0.00  0.00           C  
-ATOM   2278  O   LEU   142      25.463  36.613  30.481  0.00  0.00           O  
-ATOM   2279  N   LEU   143      26.657  38.360  29.689  0.00  0.00           N  
-ATOM   2280  H   LEU   143      27.587  38.719  29.529  0.00  0.00           H  
-ATOM   2281  CA  LEU   143      25.489  38.944  29.143  0.00  0.00           C  
-ATOM   2282  HA  LEU   143      24.599  38.408  29.474  0.00  0.00           H  
-ATOM   2283  CB  LEU   143      25.290  40.350  29.657  0.00  0.00           C  
-ATOM   2284  HB2 LEU   143      26.104  40.975  29.292  0.00  0.00           H  
-ATOM   2285  HB3 LEU   143      24.392  40.811  29.245  0.00  0.00           H  
-ATOM   2286  CG  LEU   143      25.179  40.620  31.188  0.00  0.00           C  
-ATOM   2287  HG  LEU   143      26.059  40.171  31.649  0.00  0.00           H  
-ATOM   2288  CD1 LEU   143      25.225  42.047  31.618  0.00  0.00           C  
-ATOM   2289 HD11 LEU   143      26.280  42.320  31.587  0.00  0.00           H  
-ATOM   2290 HD12 LEU   143      24.613  42.720  31.019  0.00  0.00           H  
-ATOM   2291 HD13 LEU   143      24.791  42.217  32.604  0.00  0.00           H  
-ATOM   2292  CD2 LEU   143      23.848  40.110  31.716  0.00  0.00           C  
-ATOM   2293 HD21 LEU   143      23.117  40.917  31.657  0.00  0.00           H  
-ATOM   2294 HD22 LEU   143      23.482  39.187  31.266  0.00  0.00           H  
-ATOM   2295 HD23 LEU   143      23.970  39.952  32.788  0.00  0.00           H  
-ATOM   2296  C   LEU   143      25.531  38.869  27.606  0.00  0.00           C  
-ATOM   2297  O   LEU   143      26.494  39.272  26.992  0.00  0.00           O  
-ATOM   2298  N   ASP   144      24.432  38.453  26.977  0.00  0.00           N  
-ATOM   2299  H   ASP   144      23.626  38.296  27.565  0.00  0.00           H  
-ATOM   2300  CA  ASP   144      24.235  38.733  25.533  0.00  0.00           C  
-ATOM   2301  HA  ASP   144      25.071  38.387  24.925  0.00  0.00           H  
-ATOM   2302  CB  ASP   144      23.020  37.838  25.114  0.00  0.00           C  
-ATOM   2303  HB2 ASP   144      23.097  36.760  25.252  0.00  0.00           H  
-ATOM   2304  HB3 ASP   144      22.230  38.209  25.767  0.00  0.00           H  
-ATOM   2305  CG  ASP   144      22.775  38.103  23.609  0.00  0.00           C  
-ATOM   2306  OD1 ASP   144      21.751  38.722  23.190  0.00  0.00           O  
-ATOM   2307  OD2 ASP   144      23.725  37.764  22.841  0.00  0.00           O  
-ATOM   2308  C   ASP   144      23.919  40.187  25.245  0.00  0.00           C  
-ATOM   2309  O   ASP   144      24.444  40.769  24.347  0.00  0.00           O  
-ATOM   2310  N   ASN   145      22.976  40.720  25.965  0.00  0.00           N  
-ATOM   2311  H   ASN   145      22.584  40.255  26.771  0.00  0.00           H  
-ATOM   2312  CA  ASN   145      22.554  42.126  25.841  0.00  0.00           C  
-ATOM   2313  HA  ASN   145      23.332  42.844  25.583  0.00  0.00           H  
-ATOM   2314  CB  ASN   145      21.431  42.201  24.840  0.00  0.00           C  
-ATOM   2315  HB2 ASN   145      21.160  43.240  24.657  0.00  0.00           H  
-ATOM   2316  HB3 ASN   145      21.729  41.759  23.890  0.00  0.00           H  
-ATOM   2317  CG  ASN   145      20.195  41.395  25.246  0.00  0.00           C  
-ATOM   2318  OD1 ASN   145      19.378  41.812  26.058  0.00  0.00           O  
-ATOM   2319  ND2 ASN   145      20.042  40.146  24.774  0.00  0.00           N  
-ATOM   2320 HD21 ASN   145      20.737  39.643  24.242  0.00  0.00           H  
-ATOM   2321 HD22 ASN   145      19.371  39.539  25.223  0.00  0.00           H  
-ATOM   2322  C   ASN   145      22.033  42.539  27.243  0.00  0.00           C  
-ATOM   2323  O   ASN   145      22.239  41.868  28.206  0.00  0.00           O  
-ATOM   2324  N   ASP   146      21.767  43.827  27.411  0.00  0.00           N  
-ATOM   2325  H   ASP   146      21.544  44.387  26.600  0.00  0.00           H  
-ATOM   2326  CA  ASP   146      21.494  44.442  28.750  0.00  0.00           C  
-ATOM   2327  HA  ASP   146      22.341  44.337  29.427  0.00  0.00           H  
-ATOM   2328  CB  ASP   146      21.103  45.947  28.652  0.00  0.00           C  
-ATOM   2329  HB2 ASP   146      20.969  46.384  29.641  0.00  0.00           H  
-ATOM   2330  HB3 ASP   146      21.934  46.524  28.245  0.00  0.00           H  
-ATOM   2331  CG  ASP   146      19.835  46.342  27.854  0.00  0.00           C  
-ATOM   2332  OD1 ASP   146      19.731  45.926  26.737  0.00  0.00           O  
-ATOM   2333  OD2 ASP   146      18.986  46.959  28.454  0.00  0.00           O  
-ATOM   2334  C   ASP   146      20.340  43.735  29.558  0.00  0.00           C  
-ATOM   2335  O   ASP   146      20.242  43.968  30.738  0.00  0.00           O  
-ATOM   2336  N   ARG   147      19.581  42.755  28.969  0.00  0.00           N  
-ATOM   2337  H   ARG   147      19.558  42.702  27.961  0.00  0.00           H  
-ATOM   2338  CA  ARG   147      18.447  42.106  29.682  0.00  0.00           C  
-ATOM   2339  HA  ARG   147      18.527  42.221  30.763  0.00  0.00           H  
-ATOM   2340  CB  ARG   147      17.145  42.762  29.279  0.00  0.00           C  
-ATOM   2341  HB2 ARG   147      16.954  42.804  28.206  0.00  0.00           H  
-ATOM   2342  HB3 ARG   147      16.319  42.169  29.672  0.00  0.00           H  
-ATOM   2343  CG  ARG   147      17.105  44.173  29.860  0.00  0.00           C  
-ATOM   2344  HG2 ARG   147      17.351  44.110  30.920  0.00  0.00           H  
-ATOM   2345  HG3 ARG   147      17.795  44.831  29.331  0.00  0.00           H  
-ATOM   2346  CD  ARG   147      15.642  44.745  29.696  0.00  0.00           C  
-ATOM   2347  HD2 ARG   147      15.532  45.764  30.066  0.00  0.00           H  
-ATOM   2348  HD3 ARG   147      15.490  44.817  28.619  0.00  0.00           H  
-ATOM   2349  NE  ARG   147      14.580  43.895  30.394  0.00  0.00           N  
-ATOM   2350  HE  ARG   147      14.282  43.097  29.850  0.00  0.00           H  
-ATOM   2351  CZ  ARG   147      14.051  43.971  31.592  0.00  0.00           C  
-ATOM   2352  NH1 ARG   147      14.396  44.756  32.610  0.00  0.00           N  
-ATOM   2353 HH11 ARG   147      15.141  45.398  32.379  0.00  0.00           H  
-ATOM   2354 HH12 ARG   147      13.937  44.603  33.496  0.00  0.00           H  
-ATOM   2355  NH2 ARG   147      13.113  43.129  31.909  0.00  0.00           N  
-ATOM   2356 HH21 ARG   147      12.872  42.368  31.290  0.00  0.00           H  
-ATOM   2357 HH22 ARG   147      12.413  43.312  32.614  0.00  0.00           H  
-ATOM   2358  C   ARG   147      18.384  40.583  29.439  0.00  0.00           C  
-ATOM   2359  O   ARG   147      17.319  39.917  29.632  0.00  0.00           O  
-ATOM   2360  N   LEU   148      19.487  39.930  28.999  0.00  0.00           N  
-ATOM   2361  H   LEU   148      20.252  40.470  28.619  0.00  0.00           H  
-ATOM   2362  CA  LEU   148      19.699  38.492  28.933  0.00  0.00           C  
-ATOM   2363  HA  LEU   148      19.054  37.982  29.648  0.00  0.00           H  
-ATOM   2364  CB  LEU   148      19.299  38.060  27.484  0.00  0.00           C  
-ATOM   2365  HB2 LEU   148      18.303  38.484  27.357  0.00  0.00           H  
-ATOM   2366  HB3 LEU   148      19.921  38.522  26.718  0.00  0.00           H  
-ATOM   2367  CG  LEU   148      19.167  36.548  27.290  0.00  0.00           C  
-ATOM   2368  HG  LEU   148      19.108  36.070  28.268  0.00  0.00           H  
-ATOM   2369  CD1 LEU   148      17.890  36.188  26.538  0.00  0.00           C  
-ATOM   2370 HD11 LEU   148      17.881  36.644  25.548  0.00  0.00           H  
-ATOM   2371 HD12 LEU   148      17.715  35.114  26.467  0.00  0.00           H  
-ATOM   2372 HD13 LEU   148      17.084  36.650  27.108  0.00  0.00           H  
-ATOM   2373  CD2 LEU   148      20.297  36.023  26.461  0.00  0.00           C  
-ATOM   2374 HD21 LEU   148      21.194  35.945  27.075  0.00  0.00           H  
-ATOM   2375 HD22 LEU   148      20.136  35.028  26.048  0.00  0.00           H  
-ATOM   2376 HD23 LEU   148      20.502  36.682  25.617  0.00  0.00           H  
-ATOM   2377  C   LEU   148      21.052  37.882  29.287  0.00  0.00           C  
-ATOM   2378  O   LEU   148      22.040  38.034  28.523  0.00  0.00           O  
-ATOM   2379  N   VAL   149      21.062  37.065  30.363  0.00  0.00           N  
-ATOM   2380  H   VAL   149      20.228  36.996  30.929  0.00  0.00           H  
-ATOM   2381  CA  VAL   149      22.173  36.125  30.722  0.00  0.00           C  
-ATOM   2382  HA  VAL   149      23.095  36.685  30.567  0.00  0.00           H  
-ATOM   2383  CB  VAL   149      22.006  35.666  32.262  0.00  0.00           C  
-ATOM   2384  HB  VAL   149      20.929  35.578  32.402  0.00  0.00           H  
-ATOM   2385  CG1 VAL   149      22.654  34.354  32.618  0.00  0.00           C  
-ATOM   2386 HG11 VAL   149      23.690  34.354  32.280  0.00  0.00           H  
-ATOM   2387 HG12 VAL   149      22.361  34.148  33.647  0.00  0.00           H  
-ATOM   2388 HG13 VAL   149      22.206  33.562  32.018  0.00  0.00           H  
-ATOM   2389  CG2 VAL   149      22.606  36.722  33.283  0.00  0.00           C  
-ATOM   2390 HG21 VAL   149      23.691  36.612  33.257  0.00  0.00           H  
-ATOM   2391 HG22 VAL   149      22.390  37.749  32.990  0.00  0.00           H  
-ATOM   2392 HG23 VAL   149      22.328  36.476  34.308  0.00  0.00           H  
-ATOM   2393  C   VAL   149      22.372  34.892  29.796  0.00  0.00           C  
-ATOM   2394  O   VAL   149      21.410  34.259  29.425  0.00  0.00           O  
-ATOM   2395  N   LYS   150      23.666  34.531  29.626  0.00  0.00           N  
-ATOM   2396  H   LYS   150      24.369  35.104  30.069  0.00  0.00           H  
-ATOM   2397  CA  LYS   150      24.117  33.200  29.174  0.00  0.00           C  
-ATOM   2398  HA  LYS   150      23.319  32.470  29.314  0.00  0.00           H  
-ATOM   2399  CB  LYS   150      24.474  33.040  27.687  0.00  0.00           C  
-ATOM   2400  HB2 LYS   150      25.302  33.696  27.418  0.00  0.00           H  
-ATOM   2401  HB3 LYS   150      24.816  32.006  27.640  0.00  0.00           H  
-ATOM   2402  CG  LYS   150      23.269  33.071  26.765  0.00  0.00           C  
-ATOM   2403  HG2 LYS   150      22.748  32.113  26.744  0.00  0.00           H  
-ATOM   2404  HG3 LYS   150      22.539  33.830  27.044  0.00  0.00           H  
-ATOM   2405  CD  LYS   150      23.688  33.380  25.268  0.00  0.00           C  
-ATOM   2406  HD2 LYS   150      24.380  34.222  25.263  0.00  0.00           H  
-ATOM   2407  HD3 LYS   150      24.267  32.530  24.907  0.00  0.00           H  
-ATOM   2408  CE  LYS   150      22.351  33.622  24.417  0.00  0.00           C  
-ATOM   2409  HE2 LYS   150      21.740  32.719  24.399  0.00  0.00           H  
-ATOM   2410  HE3 LYS   150      21.847  34.520  24.776  0.00  0.00           H  
-ATOM   2411  NZ  LYS   150      22.764  33.882  23.003  0.00  0.00           N  
-ATOM   2412  HZ1 LYS   150      23.394  33.134  22.752  0.00  0.00           H  
-ATOM   2413  HZ2 LYS   150      21.968  33.742  22.397  0.00  0.00           H  
-ATOM   2414  HZ3 LYS   150      23.135  34.792  22.770  0.00  0.00           H  
-ATOM   2415  C   LYS   150      25.226  32.682  30.149  0.00  0.00           C  
-ATOM   2416  O   LYS   150      26.134  33.437  30.456  0.00  0.00           O  
-ATOM   2417  N   ILE   151      25.167  31.434  30.486  0.00  0.00           N  
-ATOM   2418  H   ILE   151      24.298  30.927  30.399  0.00  0.00           H  
-ATOM   2419  CA  ILE   151      26.239  30.757  31.308  0.00  0.00           C  
-ATOM   2420  HA  ILE   151      26.705  31.489  31.968  0.00  0.00           H  
-ATOM   2421  CB  ILE   151      25.558  29.762  32.300  0.00  0.00           C  
-ATOM   2422  HB  ILE   151      25.136  29.088  31.554  0.00  0.00           H  
-ATOM   2423  CG2 ILE   151      26.488  28.968  33.214  0.00  0.00           C  
-ATOM   2424 HG21 ILE   151      26.048  28.131  33.757  0.00  0.00           H  
-ATOM   2425 HG22 ILE   151      27.307  28.490  32.676  0.00  0.00           H  
-ATOM   2426 HG23 ILE   151      26.880  29.552  34.046  0.00  0.00           H  
-ATOM   2427  CG1 ILE   151      24.368  30.313  33.068  0.00  0.00           C  
-ATOM   2428 HG12 ILE   151      24.806  30.858  33.904  0.00  0.00           H  
-ATOM   2429 HG13 ILE   151      23.874  31.167  32.606  0.00  0.00           H  
-ATOM   2430  CD1 ILE   151      23.341  29.228  33.353  0.00  0.00           C  
-ATOM   2431 HD11 ILE   151      23.768  28.567  34.107  0.00  0.00           H  
-ATOM   2432 HD12 ILE   151      22.466  29.651  33.848  0.00  0.00           H  
-ATOM   2433 HD13 ILE   151      22.935  28.804  32.435  0.00  0.00           H  
-ATOM   2434  C   ILE   151      27.237  30.121  30.298  0.00  0.00           C  
-ATOM   2435  O   ILE   151      26.937  29.612  29.220  0.00  0.00           O  
-ATOM   2436  N   GLY   152      28.575  30.098  30.724  0.00  0.00           N  
-ATOM   2437  H   GLY   152      28.825  30.536  31.599  0.00  0.00           H  
-ATOM   2438  CA  GLY   152      29.720  29.559  29.938  0.00  0.00           C  
-ATOM   2439  HA2 GLY   152      29.405  28.733  29.301  0.00  0.00           H  
-ATOM   2440  HA3 GLY   152      30.185  30.312  29.302  0.00  0.00           H  
-ATOM   2441  C   GLY   152      30.819  28.887  30.802  0.00  0.00           C  
-ATOM   2442  O   GLY   152      30.657  28.748  32.029  0.00  0.00           O  
-ATOM   2443  N   ASP   153      31.902  28.546  30.128  0.00  0.00           N  
-ATOM   2444  H   ASP   153      31.867  28.589  29.120  0.00  0.00           H  
-ATOM   2445  CA  ASP   153      33.097  27.995  30.827  0.00  0.00           C  
-ATOM   2446  HA  ASP   153      33.791  27.612  30.078  0.00  0.00           H  
-ATOM   2447  CB  ASP   153      34.001  29.093  31.461  0.00  0.00           C  
-ATOM   2448  HB2 ASP   153      34.268  29.807  30.682  0.00  0.00           H  
-ATOM   2449  HB3 ASP   153      33.373  29.563  32.217  0.00  0.00           H  
-ATOM   2450  CG  ASP   153      35.335  28.564  31.961  0.00  0.00           C  
-ATOM   2451  OD1 ASP   153      35.892  29.102  32.984  0.00  0.00           O  
-ATOM   2452  OD2 ASP   153      36.036  27.806  31.234  0.00  0.00           O  
-ATOM   2453  C   ASP   153      32.847  26.789  31.696  0.00  0.00           C  
-ATOM   2454  O   ASP   153      33.115  26.810  32.891  0.00  0.00           O  
-ATOM   2455  N   PHE   154      32.427  25.701  31.114  0.00  0.00           N  
-ATOM   2456  H   PHE   154      32.396  25.810  30.111  0.00  0.00           H  
-ATOM   2457  CA  PHE   154      31.902  24.428  31.587  0.00  0.00           C  
-ATOM   2458  HA  PHE   154      31.360  24.798  32.457  0.00  0.00           H  
-ATOM   2459  CB  PHE   154      30.909  23.980  30.563  0.00  0.00           C  
-ATOM   2460  HB2 PHE   154      31.358  23.984  29.570  0.00  0.00           H  
-ATOM   2461  HB3 PHE   154      30.628  22.963  30.839  0.00  0.00           H  
-ATOM   2462  CG  PHE   154      29.618  24.672  30.618  0.00  0.00           C  
-ATOM   2463  CD1 PHE   154      28.850  24.421  31.705  0.00  0.00           C  
-ATOM   2464  HD1 PHE   154      29.261  23.779  32.470  0.00  0.00           H  
-ATOM   2465  CE1 PHE   154      27.626  25.118  31.834  0.00  0.00           C  
-ATOM   2466  HE1 PHE   154      26.993  24.892  32.680  0.00  0.00           H  
-ATOM   2467  CZ  PHE   154      27.253  26.053  30.807  0.00  0.00           C  
-ATOM   2468  HZ  PHE   154      26.352  26.634  30.933  0.00  0.00           H  
-ATOM   2469  CE2 PHE   154      28.084  26.324  29.693  0.00  0.00           C  
-ATOM   2470  HE2 PHE   154      27.881  27.029  28.901  0.00  0.00           H  
-ATOM   2471  CD2 PHE   154      29.283  25.566  29.598  0.00  0.00           C  
-ATOM   2472  HD2 PHE   154      29.878  25.672  28.703  0.00  0.00           H  
-ATOM   2473  C   PHE   154      33.041  23.388  32.004  0.00  0.00           C  
-ATOM   2474  O   PHE   154      32.686  22.259  32.298  0.00  0.00           O  
-ATOM   2475  N   GLY   155      34.347  23.671  31.932  0.00  0.00           N  
-ATOM   2476  H   GLY   155      34.680  24.600  31.718  0.00  0.00           H  
-ATOM   2477  CA  GLY   155      35.345  22.606  32.011  0.00  0.00           C  
-ATOM   2478  HA2 GLY   155      35.033  21.965  31.186  0.00  0.00           H  
-ATOM   2479  HA3 GLY   155      36.352  22.978  31.823  0.00  0.00           H  
-ATOM   2480  C   GLY   155      35.379  21.788  33.322  0.00  0.00           C  
-ATOM   2481  O   GLY   155      35.759  20.614  33.297  0.00  0.00           O  
-ATOM   2482  N   LEU   156      34.849  22.294  34.440  0.00  0.00           N  
-ATOM   2483  H   LEU   156      34.367  23.180  34.497  0.00  0.00           H  
-ATOM   2484  CA  LEU   156      34.556  21.412  35.568  0.00  0.00           C  
-ATOM   2485  HA  LEU   156      35.386  20.704  35.567  0.00  0.00           H  
-ATOM   2486  CB  LEU   156      34.706  22.248  36.825  0.00  0.00           C  
-ATOM   2487  HB2 LEU   156      33.803  22.851  36.918  0.00  0.00           H  
-ATOM   2488  HB3 LEU   156      34.851  21.539  37.640  0.00  0.00           H  
-ATOM   2489  CG  LEU   156      35.856  23.289  37.165  0.00  0.00           C  
-ATOM   2490  HG  LEU   156      35.753  24.235  36.633  0.00  0.00           H  
-ATOM   2491  CD1 LEU   156      35.765  23.562  38.683  0.00  0.00           C  
-ATOM   2492 HD11 LEU   156      34.882  24.142  38.950  0.00  0.00           H  
-ATOM   2493 HD12 LEU   156      35.783  22.627  39.243  0.00  0.00           H  
-ATOM   2494 HD13 LEU   156      36.618  24.169  38.988  0.00  0.00           H  
-ATOM   2495  CD2 LEU   156      37.272  22.712  36.936  0.00  0.00           C  
-ATOM   2496 HD21 LEU   156      37.441  22.338  35.926  0.00  0.00           H  
-ATOM   2497 HD22 LEU   156      38.052  23.472  36.987  0.00  0.00           H  
-ATOM   2498 HD23 LEU   156      37.520  21.817  37.505  0.00  0.00           H  
-ATOM   2499  C   LEU   156      33.272  20.629  35.664  0.00  0.00           C  
-ATOM   2500  O   LEU   156      33.105  19.835  36.606  0.00  0.00           O  
-ATOM   2501  N   ALA   157      32.380  20.814  34.669  0.00  0.00           N  
-ATOM   2502  H   ALA   157      32.688  21.443  33.941  0.00  0.00           H  
-ATOM   2503  CA  ALA   157      31.060  20.176  34.727  0.00  0.00           C  
-ATOM   2504  HA  ALA   157      30.635  20.402  35.704  0.00  0.00           H  
-ATOM   2505  CB  ALA   157      30.073  20.784  33.661  0.00  0.00           C  
-ATOM   2506  HB1 ALA   157      29.109  20.276  33.662  0.00  0.00           H  
-ATOM   2507  HB2 ALA   157      29.995  21.861  33.804  0.00  0.00           H  
-ATOM   2508  HB3 ALA   157      30.447  20.624  32.650  0.00  0.00           H  
-ATOM   2509  C   ALA   157      31.155  18.632  34.588  0.00  0.00           C  
-ATOM   2510  O   ALA   157      32.119  18.160  33.911  0.00  0.00           O  
-ATOM   2511  N   LYS   158      30.280  17.956  35.301  0.00  0.00           N  
-ATOM   2512  H   LYS   158      29.626  18.518  35.827  0.00  0.00           H  
-ATOM   2513  CA  LYS   158      30.169  16.493  35.410  0.00  0.00           C  
-ATOM   2514  HA  LYS   158      30.591  15.970  34.552  0.00  0.00           H  
-ATOM   2515  CB  LYS   158      30.992  16.082  36.668  0.00  0.00           C  
-ATOM   2516  HB2 LYS   158      30.625  16.605  37.551  0.00  0.00           H  
-ATOM   2517  HB3 LYS   158      30.906  15.007  36.828  0.00  0.00           H  
-ATOM   2518  CG  LYS   158      32.489  16.386  36.608  0.00  0.00           C  
-ATOM   2519  HG2 LYS   158      32.638  17.387  36.205  0.00  0.00           H  
-ATOM   2520  HG3 LYS   158      32.794  16.529  37.644  0.00  0.00           H  
-ATOM   2521  CD  LYS   158      33.313  15.263  35.946  0.00  0.00           C  
-ATOM   2522  HD2 LYS   158      33.262  14.381  36.586  0.00  0.00           H  
-ATOM   2523  HD3 LYS   158      32.930  14.917  34.986  0.00  0.00           H  
-ATOM   2524  CE  LYS   158      34.757  15.638  35.523  0.00  0.00           C  
-ATOM   2525  HE2 LYS   158      34.755  16.598  35.007  0.00  0.00           H  
-ATOM   2526  HE3 LYS   158      35.411  15.787  36.382  0.00  0.00           H  
-ATOM   2527  NZ  LYS   158      35.397  14.523  34.806  0.00  0.00           N  
-ATOM   2528  HZ1 LYS   158      36.083  14.929  34.185  0.00  0.00           H  
-ATOM   2529  HZ2 LYS   158      35.859  13.888  35.440  0.00  0.00           H  
-ATOM   2530  HZ3 LYS   158      34.845  14.123  34.060  0.00  0.00           H  
-ATOM   2531  C   LYS   158      28.692  16.031  35.582  0.00  0.00           C  
-ATOM   2532  O   LYS   158      27.845  16.629  36.227  0.00  0.00           O  
-ATOM   2533  N   ALA   159      28.497  14.863  35.105  0.00  0.00           N  
-ATOM   2534  H   ALA   159      29.201  14.404  34.546  0.00  0.00           H  
-ATOM   2535  CA  ALA   159      27.291  14.076  35.384  0.00  0.00           C  
-ATOM   2536  HA  ALA   159      26.384  14.670  35.277  0.00  0.00           H  
-ATOM   2537  CB  ALA   159      27.215  13.100  34.165  0.00  0.00           C  
-ATOM   2538  HB1 ALA   159      28.090  12.601  33.748  0.00  0.00           H  
-ATOM   2539  HB2 ALA   159      26.394  12.426  34.411  0.00  0.00           H  
-ATOM   2540  HB3 ALA   159      26.899  13.726  33.330  0.00  0.00           H  
-ATOM   2541  C   ALA   159      27.135  13.374  36.726  0.00  0.00           C  
-ATOM   2542  O   ALA   159      28.052  12.763  37.194  0.00  0.00           O  
-ATOM   2543  N   VAL   160      25.989  13.563  37.378  0.00  0.00           N  
-ATOM   2544  H   VAL   160      25.251  14.149  37.015  0.00  0.00           H  
-ATOM   2545  CA  VAL   160      25.684  12.771  38.584  0.00  0.00           C  
-ATOM   2546  HA  VAL   160      26.473  12.844  39.333  0.00  0.00           H  
-ATOM   2547  CB  VAL   160      24.313  13.276  39.211  0.00  0.00           C  
-ATOM   2548  HB  VAL   160      23.423  13.225  38.584  0.00  0.00           H  
-ATOM   2549  CG1 VAL   160      24.067  12.412  40.502  0.00  0.00           C  
-ATOM   2550 HG11 VAL   160      24.107  11.361  40.216  0.00  0.00           H  
-ATOM   2551 HG12 VAL   160      24.784  12.642  41.290  0.00  0.00           H  
-ATOM   2552 HG13 VAL   160      23.070  12.637  40.880  0.00  0.00           H  
-ATOM   2553  CG2 VAL   160      24.509  14.701  39.701  0.00  0.00           C  
-ATOM   2554 HG21 VAL   160      25.228  14.732  40.519  0.00  0.00           H  
-ATOM   2555 HG22 VAL   160      24.878  15.404  38.955  0.00  0.00           H  
-ATOM   2556 HG23 VAL   160      23.605  15.170  40.092  0.00  0.00           H  
-ATOM   2557  C   VAL   160      25.595  11.239  38.194  0.00  0.00           C  
-ATOM   2558  O   VAL   160      25.106  11.003  37.099  0.00  0.00           O  
-ATOM   2559  N   PRO   161      26.068  10.245  38.944  0.00  0.00           N  
-ATOM   2560  CD  PRO   161      26.895  10.527  40.064  0.00  0.00           C  
-ATOM   2561  HD2 PRO   161      26.370  10.708  41.002  0.00  0.00           H  
-ATOM   2562  HD3 PRO   161      27.699  11.206  39.780  0.00  0.00           H  
-ATOM   2563  CG  PRO   161      27.590   9.152  40.365  0.00  0.00           C  
-ATOM   2564  HG2 PRO   161      27.826   9.053  41.425  0.00  0.00           H  
-ATOM   2565  HG3 PRO   161      28.514   8.973  39.815  0.00  0.00           H  
-ATOM   2566  CB  PRO   161      26.604   8.127  39.778  0.00  0.00           C  
-ATOM   2567  HB2 PRO   161      25.818   7.884  40.493  0.00  0.00           H  
-ATOM   2568  HB3 PRO   161      27.137   7.236  39.447  0.00  0.00           H  
-ATOM   2569  CA  PRO   161      25.977   8.818  38.569  0.00  0.00           C  
-ATOM   2570  HA  PRO   161      26.570   8.524  37.703  0.00  0.00           H  
-ATOM   2571  C   PRO   161      24.520   8.317  38.449  0.00  0.00           C  
-ATOM   2572  O   PRO   161      23.611   9.082  38.864  0.00  0.00           O  
-ATOM   2573  N   GLU   162      24.349   7.147  37.873  0.00  0.00           N  
-ATOM   2574  H   GLU   162      25.238   6.700  37.699  0.00  0.00           H  
-ATOM   2575  CA  GLU   162      23.028   6.511  37.628  0.00  0.00           C  
-ATOM   2576  HA  GLU   162      22.283   7.079  37.072  0.00  0.00           H  
-ATOM   2577  CB  GLU   162      23.271   5.282  36.705  0.00  0.00           C  
-ATOM   2578  HB2 GLU   162      22.309   4.933  36.330  0.00  0.00           H  
-ATOM   2579  HB3 GLU   162      23.798   5.615  35.811  0.00  0.00           H  
-ATOM   2580  CG  GLU   162      23.943   4.047  37.302  0.00  0.00           C  
-ATOM   2581  HG2 GLU   162      23.326   3.744  38.148  0.00  0.00           H  
-ATOM   2582  HG3 GLU   162      23.979   3.308  36.501  0.00  0.00           H  
-ATOM   2583  CD  GLU   162      25.373   4.324  37.716  0.00  0.00           C  
-ATOM   2584  OE1 GLU   162      25.749   3.895  38.839  0.00  0.00           O  
-ATOM   2585  OE2 GLU   162      26.197   4.977  37.002  0.00  0.00           O  
-ATOM   2586  C   GLU   162      22.357   6.037  38.902  0.00  0.00           C  
-ATOM   2587  O   GLU   162      21.154   5.759  38.952  0.00  0.00           O  
-ATOM   2588  N   GLY   163      23.121   5.804  39.971  0.00  0.00           N  
-ATOM   2589  H   GLY   163      24.127   5.882  39.919  0.00  0.00           H  
-ATOM   2590  CA  GLY   163      22.617   5.280  41.255  0.00  0.00           C  
-ATOM   2591  HA2 GLY   163      21.558   5.025  41.275  0.00  0.00           H  
-ATOM   2592  HA3 GLY   163      23.126   4.332  41.430  0.00  0.00           H  
-ATOM   2593  C   GLY   163      22.948   6.101  42.515  0.00  0.00           C  
-ATOM   2594  O   GLY   163      22.131   6.202  43.380  0.00  0.00           O  
-ATOM   2595  N   HID   164      24.156   6.612  42.689  0.00  0.00           N  
-ATOM   2596  H   HID   164      24.813   6.544  41.925  0.00  0.00           H  
-ATOM   2597  CA  HID   164      24.485   7.581  43.745  0.00  0.00           C  
-ATOM   2598  HA  HID   164      24.054   7.078  44.611  0.00  0.00           H  
-ATOM   2599  CB  HID   164      26.025   7.785  43.921  0.00  0.00           C  
-ATOM   2600  HB2 HID   164      26.423   8.082  42.951  0.00  0.00           H  
-ATOM   2601  HB3 HID   164      26.216   8.546  44.677  0.00  0.00           H  
-ATOM   2602  CG  HID   164      26.766   6.590  44.545  0.00  0.00           C  
-ATOM   2603  ND1 HID   164      26.731   5.284  44.073  0.00  0.00           N  
-ATOM   2604  HD1 HID   164      26.643   5.051  43.094  0.00  0.00           H  
-ATOM   2605  CE1 HID   164      27.215   4.494  45.082  0.00  0.00           C  
-ATOM   2606  HE1 HID   164      27.299   3.417  45.117  0.00  0.00           H  
-ATOM   2607  NE2 HID   164      27.439   5.207  46.210  0.00  0.00           N  
-ATOM   2608  CD2 HID   164      27.118   6.478  45.861  0.00  0.00           C  
-ATOM   2609  HD2 HID   164      27.098   7.297  46.564  0.00  0.00           H  
-ATOM   2610  C   HID   164      23.856   9.010  43.560  0.00  0.00           C  
-ATOM   2611  O   HID   164      23.979   9.580  42.492  0.00  0.00           O  
-ATOM   2612  N   GLU   165      23.218   9.542  44.621  0.00  0.00           N  
-ATOM   2613  H   GLU   165      23.415   8.957  45.421  0.00  0.00           H  
-ATOM   2614  CA  GLU   165      22.505  10.858  44.742  0.00  0.00           C  
-ATOM   2615  HA  GLU   165      21.681  10.710  44.044  0.00  0.00           H  
-ATOM   2616  CB  GLU   165      21.858  10.980  46.093  0.00  0.00           C  
-ATOM   2617  HB2 GLU   165      22.662  10.857  46.819  0.00  0.00           H  
-ATOM   2618  HB3 GLU   165      21.416  11.972  46.192  0.00  0.00           H  
-ATOM   2619  CG  GLU   165      20.832   9.911  46.485  0.00  0.00           C  
-ATOM   2620  HG2 GLU   165      21.390   8.979  46.389  0.00  0.00           H  
-ATOM   2621  HG3 GLU   165      20.615  10.075  47.541  0.00  0.00           H  
-ATOM   2622  CD  GLU   165      19.642   9.784  45.541  0.00  0.00           C  
-ATOM   2623  OE1 GLU   165      18.918   8.835  45.691  0.00  0.00           O  
-ATOM   2624  OE2 GLU   165      19.497  10.616  44.610  0.00  0.00           O  
-ATOM   2625  C   GLU   165      23.460  12.002  44.441  0.00  0.00           C  
-ATOM   2626  O   GLU   165      22.969  13.136  44.512  0.00  0.00           O  
-ATOM   2627  N   TYR   166      24.771  11.848  44.198  0.00  0.00           N  
-ATOM   2628  H   TYR   166      25.094  10.901  44.062  0.00  0.00           H  
-ATOM   2629  CA  TYR   166      25.820  12.872  44.060  0.00  0.00           C  
-ATOM   2630  HA  TYR   166      25.350  13.672  43.489  0.00  0.00           H  
-ATOM   2631  CB  TYR   166      26.267  13.341  45.465  0.00  0.00           C  
-ATOM   2632  HB2 TYR   166      27.093  14.030  45.284  0.00  0.00           H  
-ATOM   2633  HB3 TYR   166      25.390  13.886  45.815  0.00  0.00           H  
-ATOM   2634  CG  TYR   166      26.698  12.276  46.453  0.00  0.00           C  
-ATOM   2635  CD1 TYR   166      25.783  11.603  47.252  0.00  0.00           C  
-ATOM   2636  HD1 TYR   166      24.790  12.027  47.235  0.00  0.00           H  
-ATOM   2637  CE1 TYR   166      26.192  10.523  48.068  0.00  0.00           C  
-ATOM   2638  HE1 TYR   166      25.514  10.067  48.775  0.00  0.00           H  
-ATOM   2639  CZ  TYR   166      27.579  10.070  48.101  0.00  0.00           C  
-ATOM   2640  OH  TYR   166      27.911   9.129  48.964  0.00  0.00           O  
-ATOM   2641  HH  TYR   166      27.192   8.569  49.266  0.00  0.00           H  
-ATOM   2642  CE2 TYR   166      28.504  10.779  47.314  0.00  0.00           C  
-ATOM   2643  HE2 TYR   166      29.540  10.493  47.421  0.00  0.00           H  
-ATOM   2644  CD2 TYR   166      28.081  11.931  46.597  0.00  0.00           C  
-ATOM   2645  HD2 TYR   166      28.806  12.446  45.984  0.00  0.00           H  
-ATOM   2646  C   TYR   166      27.034  12.544  43.143  0.00  0.00           C  
-ATOM   2647  O   TYR   166      27.558  11.394  43.114  0.00  0.00           O  
-ATOM   2648  N   TYR   167      27.704  13.551  42.524  0.00  0.00           N  
-ATOM   2649  H   TYR   167      27.368  14.503  42.486  0.00  0.00           H  
-ATOM   2650  CA  TYR   167      29.082  13.388  42.013  0.00  0.00           C  
-ATOM   2651  HA  TYR   167      29.038  12.489  41.398  0.00  0.00           H  
-ATOM   2652  CB  TYR   167      29.337  14.516  41.012  0.00  0.00           C  
-ATOM   2653  HB2 TYR   167      28.646  14.412  40.176  0.00  0.00           H  
-ATOM   2654  HB3 TYR   167      29.062  15.479  41.442  0.00  0.00           H  
-ATOM   2655  CG  TYR   167      30.769  14.662  40.389  0.00  0.00           C  
-ATOM   2656  CD1 TYR   167      31.374  13.617  39.639  0.00  0.00           C  
-ATOM   2657  HD1 TYR   167      30.797  12.705  39.592  0.00  0.00           H  
-ATOM   2658  CE1 TYR   167      32.621  13.755  39.035  0.00  0.00           C  
-ATOM   2659  HE1 TYR   167      33.064  12.916  38.520  0.00  0.00           H  
-ATOM   2660  CZ  TYR   167      33.399  14.841  39.447  0.00  0.00           C  
-ATOM   2661  OH  TYR   167      34.705  14.944  39.014  0.00  0.00           O  
-ATOM   2662  HH  TYR   167      34.959  14.207  38.455  0.00  0.00           H  
-ATOM   2663  CE2 TYR   167      32.855  15.846  40.261  0.00  0.00           C  
-ATOM   2664  HE2 TYR   167      33.531  16.607  40.623  0.00  0.00           H  
-ATOM   2665  CD2 TYR   167      31.572  15.772  40.763  0.00  0.00           C  
-ATOM   2666  HD2 TYR   167      31.127  16.648  41.212  0.00  0.00           H  
-ATOM   2667  C   TYR   167      30.163  13.329  43.081  0.00  0.00           C  
-ATOM   2668  O   TYR   167      30.084  14.064  44.071  0.00  0.00           O  
-ATOM   2669  N   ARG   168      31.200  12.491  42.900  0.00  0.00           N  
-ATOM   2670  H   ARG   168      31.197  11.909  42.075  0.00  0.00           H  
-ATOM   2671  CA  ARG   168      32.383  12.552  43.758  0.00  0.00           C  
-ATOM   2672  HA  ARG   168      32.205  13.079  44.696  0.00  0.00           H  
-ATOM   2673  CB  ARG   168      32.968  11.136  44.073  0.00  0.00           C  
-ATOM   2674  HB2 ARG   168      32.235  10.525  44.598  0.00  0.00           H  
-ATOM   2675  HB3 ARG   168      32.959  10.721  43.065  0.00  0.00           H  
-ATOM   2676  CG  ARG   168      34.313  11.022  44.872  0.00  0.00           C  
-ATOM   2677  HG2 ARG   168      34.608   9.976  44.955  0.00  0.00           H  
-ATOM   2678  HG3 ARG   168      35.169  11.438  44.341  0.00  0.00           H  
-ATOM   2679  CD  ARG   168      34.449  11.822  46.172  0.00  0.00           C  
-ATOM   2680  HD2 ARG   168      34.272  12.866  45.913  0.00  0.00           H  
-ATOM   2681  HD3 ARG   168      33.679  11.530  46.887  0.00  0.00           H  
-ATOM   2682  NE  ARG   168      35.793  11.586  46.767  0.00  0.00           N  
-ATOM   2683  HE  ARG   168      36.443  12.359  46.772  0.00  0.00           H  
-ATOM   2684  CZ  ARG   168      36.261  10.511  47.339  0.00  0.00           C  
-ATOM   2685  NH1 ARG   168      35.555   9.475  47.510  0.00  0.00           N  
-ATOM   2686 HH11 ARG   168      34.649   9.382  47.073  0.00  0.00           H  
-ATOM   2687 HH12 ARG   168      36.042   8.658  47.849  0.00  0.00           H  
-ATOM   2688  NH2 ARG   168      37.387  10.614  47.860  0.00  0.00           N  
-ATOM   2689 HH21 ARG   168      37.934  11.426  47.614  0.00  0.00           H  
-ATOM   2690 HH22 ARG   168      37.763   9.859  48.416  0.00  0.00           H  
-ATOM   2691  C   ARG   168      33.407  13.446  43.049  0.00  0.00           C  
-ATOM   2692  O   ARG   168      34.064  13.125  42.048  0.00  0.00           O  
-ATOM   2693  N   VAL   169      33.607  14.634  43.642  0.00  0.00           N  
-ATOM   2694  H   VAL   169      33.104  14.729  44.513  0.00  0.00           H  
-ATOM   2695  CA  VAL   169      34.684  15.618  43.299  0.00  0.00           C  
-ATOM   2696  HA  VAL   169      35.043  15.582  42.271  0.00  0.00           H  
-ATOM   2697  CB  VAL   169      34.153  17.083  43.633  0.00  0.00           C  
-ATOM   2698  HB  VAL   169      33.306  17.216  42.960  0.00  0.00           H  
-ATOM   2699  CG1 VAL   169      33.500  17.268  45.125  0.00  0.00           C  
-ATOM   2700 HG11 VAL   169      34.317  17.126  45.832  0.00  0.00           H  
-ATOM   2701 HG12 VAL   169      33.234  18.317  45.254  0.00  0.00           H  
-ATOM   2702 HG13 VAL   169      32.683  16.571  45.308  0.00  0.00           H  
-ATOM   2703  CG2 VAL   169      35.155  18.242  43.409  0.00  0.00           C  
-ATOM   2704 HG21 VAL   169      35.810  18.270  44.280  0.00  0.00           H  
-ATOM   2705 HG22 VAL   169      35.537  18.259  42.388  0.00  0.00           H  
-ATOM   2706 HG23 VAL   169      34.617  19.179  43.548  0.00  0.00           H  
-ATOM   2707  C   VAL   169      36.008  15.352  44.020  0.00  0.00           C  
-ATOM   2708  O   VAL   169      36.020  14.566  44.963  0.00  0.00           O  
-ATOM   2709  N   ARG   170      37.124  15.800  43.459  0.00  0.00           N  
-ATOM   2710  H   ARG   170      37.030  16.305  42.590  0.00  0.00           H  
-ATOM   2711  CA  ARG   170      38.475  15.461  43.765  0.00  0.00           C  
-ATOM   2712  HA  ARG   170      38.355  14.811  44.633  0.00  0.00           H  
-ATOM   2713  CB  ARG   170      39.168  14.721  42.534  0.00  0.00           C  
-ATOM   2714  HB2 ARG   170      39.233  15.393  41.677  0.00  0.00           H  
-ATOM   2715  HB3 ARG   170      40.219  14.550  42.768  0.00  0.00           H  
-ATOM   2716  CG  ARG   170      38.471  13.395  42.149  0.00  0.00           C  
-ATOM   2717  HG2 ARG   170      37.559  13.560  41.575  0.00  0.00           H  
-ATOM   2718  HG3 ARG   170      39.125  12.880  41.445  0.00  0.00           H  
-ATOM   2719  CD  ARG   170      38.115  12.413  43.294  0.00  0.00           C  
-ATOM   2720  HD2 ARG   170      37.267  12.816  43.848  0.00  0.00           H  
-ATOM   2721  HD3 ARG   170      37.677  11.553  42.789  0.00  0.00           H  
-ATOM   2722  NE  ARG   170      39.349  12.046  44.033  0.00  0.00           N  
-ATOM   2723  HE  ARG   170      39.901  12.786  44.442  0.00  0.00           H  
-ATOM   2724  CZ  ARG   170      39.587  10.910  44.637  0.00  0.00           C  
-ATOM   2725  NH1 ARG   170      38.869   9.877  44.456  0.00  0.00           N  
-ATOM   2726 HH11 ARG   170      38.165   9.852  43.733  0.00  0.00           H  
-ATOM   2727 HH12 ARG   170      39.008   9.077  45.057  0.00  0.00           H  
-ATOM   2728  NH2 ARG   170      40.520  10.891  45.542  0.00  0.00           N  
-ATOM   2729 HH21 ARG   170      41.059  11.713  45.772  0.00  0.00           H  
-ATOM   2730 HH22 ARG   170      40.647   9.992  45.984  0.00  0.00           H  
-ATOM   2731  C   ARG   170      39.253  16.653  44.188  0.00  0.00           C  
-ATOM   2732  O   ARG   170      38.796  17.794  44.221  0.00  0.00           O  
-ATOM   2733  N   GLU   171      40.442  16.353  44.652  0.00  0.00           N  
-ATOM   2734  H   GLU   171      40.624  15.366  44.540  0.00  0.00           H  
-ATOM   2735  CA  GLU   171      41.417  17.265  45.186  0.00  0.00           C  
-ATOM   2736  HA  GLU   171      40.910  17.912  45.902  0.00  0.00           H  
-ATOM   2737  CB  GLU   171      42.500  16.633  46.101  0.00  0.00           C  
-ATOM   2738  HB2 GLU   171      43.387  16.313  45.553  0.00  0.00           H  
-ATOM   2739  HB3 GLU   171      42.869  17.278  46.898  0.00  0.00           H  
-ATOM   2740  CG  GLU   171      41.938  15.461  46.841  0.00  0.00           C  
-ATOM   2741  HG2 GLU   171      42.668  15.271  47.627  0.00  0.00           H  
-ATOM   2742  HG3 GLU   171      41.038  15.692  47.411  0.00  0.00           H  
-ATOM   2743  CD  GLU   171      41.993  14.102  46.041  0.00  0.00           C  
-ATOM   2744  OE1 GLU   171      41.387  13.879  44.911  0.00  0.00           O  
-ATOM   2745  OE2 GLU   171      42.366  13.048  46.612  0.00  0.00           O  
-ATOM   2746  C   GLU   171      42.028  18.219  44.114  0.00  0.00           C  
-ATOM   2747  O   GLU   171      43.317  18.321  44.050  0.00  0.00           O  
-ATOM   2748  N   ASP   172      41.215  18.717  43.147  0.00  0.00           N  
-ATOM   2749  H   ASP   172      40.224  18.529  43.201  0.00  0.00           H  
-ATOM   2750  CA  ASP   172      41.597  19.761  42.218  0.00  0.00           C  
-ATOM   2751  HA  ASP   172      42.483  19.506  41.636  0.00  0.00           H  
-ATOM   2752  CB  ASP   172      40.460  20.011  41.185  0.00  0.00           C  
-ATOM   2753  HB2 ASP   172      39.644  20.549  41.667  0.00  0.00           H  
-ATOM   2754  HB3 ASP   172      40.794  20.693  40.403  0.00  0.00           H  
-ATOM   2755  CG  ASP   172      40.017  18.715  40.496  0.00  0.00           C  
-ATOM   2756  OD1 ASP   172      38.835  18.581  40.034  0.00  0.00           O  
-ATOM   2757  OD2 ASP   172      40.861  17.822  40.224  0.00  0.00           O  
-ATOM   2758  C   ASP   172      41.790  21.129  42.965  0.00  0.00           C  
-ATOM   2759  O   ASP   172      41.009  21.551  43.872  0.00  0.00           O  
-ATOM   2760  N   GLY   173      42.710  21.939  42.419  0.00  0.00           N  
-ATOM   2761  H   GLY   173      43.314  21.634  41.669  0.00  0.00           H  
-ATOM   2762  CA  GLY   173      42.813  23.383  42.735  0.00  0.00           C  
-ATOM   2763  HA2 GLY   173      42.602  23.486  43.800  0.00  0.00           H  
-ATOM   2764  HA3 GLY   173      43.877  23.604  42.650  0.00  0.00           H  
-ATOM   2765  C   GLY   173      41.925  24.392  42.040  0.00  0.00           C  
-ATOM   2766  O   GLY   173      41.512  25.352  42.606  0.00  0.00           O  
-ATOM   2767  N   ASP   174      41.546  24.087  40.785  0.00  0.00           N  
-ATOM   2768  H   ASP   174      42.034  23.299  40.384  0.00  0.00           H  
-ATOM   2769  CA  ASP   174      40.566  24.783  39.982  0.00  0.00           C  
-ATOM   2770  HA  ASP   174      40.807  25.843  39.904  0.00  0.00           H  
-ATOM   2771  CB  ASP   174      40.416  24.168  38.630  0.00  0.00           C  
-ATOM   2772  HB2 ASP   174      39.893  23.226  38.791  0.00  0.00           H  
-ATOM   2773  HB3 ASP   174      39.727  24.831  38.107  0.00  0.00           H  
-ATOM   2774  CG  ASP   174      41.753  24.087  37.899  0.00  0.00           C  
-ATOM   2775  OD1 ASP   174      42.628  25.013  37.935  0.00  0.00           O  
-ATOM   2776  OD2 ASP   174      41.897  23.097  37.153  0.00  0.00           O  
-ATOM   2777  C   ASP   174      39.155  24.836  40.665  0.00  0.00           C  
-ATOM   2778  O   ASP   174      38.333  25.635  40.200  0.00  0.00           O  
-ATOM   2779  N   SER   175      38.819  23.921  41.577  0.00  0.00           N  
-ATOM   2780  H   SER   175      39.493  23.266  41.947  0.00  0.00           H  
-ATOM   2781  CA  SER   175      37.592  23.986  42.258  0.00  0.00           C  
-ATOM   2782  HA  SER   175      36.777  23.989  41.533  0.00  0.00           H  
-ATOM   2783  CB  SER   175      37.548  22.845  43.263  0.00  0.00           C  
-ATOM   2784  HB2 SER   175      38.481  22.783  43.824  0.00  0.00           H  
-ATOM   2785  HB3 SER   175      36.773  23.106  43.984  0.00  0.00           H  
-ATOM   2786  OG  SER   175      37.322  21.585  42.667  0.00  0.00           O  
-ATOM   2787  HG  SER   175      37.446  20.972  43.395  0.00  0.00           H  
-ATOM   2788  C   SER   175      37.504  25.274  43.157  0.00  0.00           C  
-ATOM   2789  O   SER   175      38.414  25.427  43.981  0.00  0.00           O  
-ATOM   2790  N   PRO   176      36.465  26.107  42.886  0.00  0.00           N  
-ATOM   2791  CD  PRO   176      35.345  25.970  41.945  0.00  0.00           C  
-ATOM   2792  HD2 PRO   176      34.630  25.177  42.161  0.00  0.00           H  
-ATOM   2793  HD3 PRO   176      35.768  25.866  40.946  0.00  0.00           H  
-ATOM   2794  CG  PRO   176      34.545  27.316  42.038  0.00  0.00           C  
-ATOM   2795  HG2 PRO   176      33.672  27.272  42.689  0.00  0.00           H  
-ATOM   2796  HG3 PRO   176      34.086  27.607  41.092  0.00  0.00           H  
-ATOM   2797  CB  PRO   176      35.590  28.232  42.510  0.00  0.00           C  
-ATOM   2798  HB2 PRO   176      35.210  29.168  42.919  0.00  0.00           H  
-ATOM   2799  HB3 PRO   176      36.155  28.425  41.598  0.00  0.00           H  
-ATOM   2800  CA  PRO   176      36.407  27.415  43.490  0.00  0.00           C  
-ATOM   2801  HA  PRO   176      37.388  27.890  43.523  0.00  0.00           H  
-ATOM   2802  C   PRO   176      35.753  27.377  44.903  0.00  0.00           C  
-ATOM   2803  O   PRO   176      34.574  27.632  45.098  0.00  0.00           O  
-ATOM   2804  N   VAL   177      36.555  27.086  45.973  0.00  0.00           N  
-ATOM   2805  H   VAL   177      37.540  26.971  45.778  0.00  0.00           H  
-ATOM   2806  CA  VAL   177      36.177  26.515  47.205  0.00  0.00           C  
-ATOM   2807  HA  VAL   177      35.608  25.610  46.992  0.00  0.00           H  
-ATOM   2808  CB  VAL   177      37.410  26.102  48.109  0.00  0.00           C  
-ATOM   2809  HB  VAL   177      37.029  25.613  49.006  0.00  0.00           H  
-ATOM   2810  CG1 VAL   177      38.281  25.115  47.354  0.00  0.00           C  
-ATOM   2811 HG11 VAL   177      37.715  24.313  46.881  0.00  0.00           H  
-ATOM   2812 HG12 VAL   177      38.875  25.592  46.574  0.00  0.00           H  
-ATOM   2813 HG13 VAL   177      39.030  24.749  48.057  0.00  0.00           H  
-ATOM   2814  CG2 VAL   177      38.287  27.273  48.521  0.00  0.00           C  
-ATOM   2815 HG21 VAL   177      37.762  27.991  49.152  0.00  0.00           H  
-ATOM   2816 HG22 VAL   177      39.158  26.986  49.111  0.00  0.00           H  
-ATOM   2817 HG23 VAL   177      38.551  27.799  47.604  0.00  0.00           H  
-ATOM   2818  C   VAL   177      35.314  27.454  48.121  0.00  0.00           C  
-ATOM   2819  O   VAL   177      34.636  26.924  48.955  0.00  0.00           O  
-ATOM   2820  N   PHE   178      35.325  28.801  47.847  0.00  0.00           N  
-ATOM   2821  H   PHE   178      35.870  29.158  47.075  0.00  0.00           H  
-ATOM   2822  CA  PHE   178      34.558  29.724  48.616  0.00  0.00           C  
-ATOM   2823  HA  PHE   178      34.535  29.354  49.641  0.00  0.00           H  
-ATOM   2824  CB  PHE   178      35.243  31.095  48.632  0.00  0.00           C  
-ATOM   2825  HB2 PHE   178      35.355  31.410  47.594  0.00  0.00           H  
-ATOM   2826  HB3 PHE   178      34.678  31.857  49.168  0.00  0.00           H  
-ATOM   2827  CG  PHE   178      36.595  30.996  49.203  0.00  0.00           C  
-ATOM   2828  CD1 PHE   178      36.835  30.953  50.586  0.00  0.00           C  
-ATOM   2829  HD1 PHE   178      36.028  30.938  51.304  0.00  0.00           H  
-ATOM   2830  CE1 PHE   178      38.106  30.757  51.146  0.00  0.00           C  
-ATOM   2831  HE1 PHE   178      38.205  30.533  52.198  0.00  0.00           H  
-ATOM   2832  CZ  PHE   178      39.247  30.547  50.324  0.00  0.00           C  
-ATOM   2833  HZ  PHE   178      40.231  30.239  50.646  0.00  0.00           H  
-ATOM   2834  CE2 PHE   178      39.057  30.648  48.874  0.00  0.00           C  
-ATOM   2835  HE2 PHE   178      39.918  30.480  48.245  0.00  0.00           H  
-ATOM   2836  CD2 PHE   178      37.729  30.765  48.383  0.00  0.00           C  
-ATOM   2837  HD2 PHE   178      37.534  30.617  47.331  0.00  0.00           H  
-ATOM   2838  C   PHE   178      33.115  29.716  48.023  0.00  0.00           C  
-ATOM   2839  O   PHE   178      32.246  30.088  48.744  0.00  0.00           O  
-ATOM   2840  N   TRP   179      32.942  29.199  46.836  0.00  0.00           N  
-ATOM   2841  H   TRP   179      33.746  28.753  46.419  0.00  0.00           H  
-ATOM   2842  CA  TRP   179      31.675  28.874  46.228  0.00  0.00           C  
-ATOM   2843  HA  TRP   179      30.929  29.483  46.739  0.00  0.00           H  
-ATOM   2844  CB  TRP   179      31.710  29.338  44.823  0.00  0.00           C  
-ATOM   2845  HB2 TRP   179      32.538  28.831  44.326  0.00  0.00           H  
-ATOM   2846  HB3 TRP   179      30.720  29.117  44.424  0.00  0.00           H  
-ATOM   2847  CG  TRP   179      32.054  30.774  44.534  0.00  0.00           C  
-ATOM   2848  CD1 TRP   179      31.170  31.660  44.017  0.00  0.00           C  
-ATOM   2849  HD1 TRP   179      30.167  31.450  43.677  0.00  0.00           H  
-ATOM   2850  NE1 TRP   179      31.848  32.851  43.856  0.00  0.00           N  
-ATOM   2851  HE1 TRP   179      31.493  33.637  43.330  0.00  0.00           H  
-ATOM   2852  CE2 TRP   179      33.147  32.792  44.125  0.00  0.00           C  
-ATOM   2853  CZ2 TRP   179      34.226  33.699  44.007  0.00  0.00           C  
-ATOM   2854  HZ2 TRP   179      33.979  34.679  43.628  0.00  0.00           H  
-ATOM   2855  CH2 TRP   179      35.469  33.395  44.404  0.00  0.00           C  
-ATOM   2856  HH2 TRP   179      36.301  34.067  44.258  0.00  0.00           H  
-ATOM   2857  CZ3 TRP   179      35.670  32.085  44.944  0.00  0.00           C  
-ATOM   2858  HZ3 TRP   179      36.611  31.797  45.388  0.00  0.00           H  
-ATOM   2859  CE3 TRP   179      34.668  31.102  45.055  0.00  0.00           C  
-ATOM   2860  HE3 TRP   179      34.907  30.102  45.387  0.00  0.00           H  
-ATOM   2861  CD2 TRP   179      33.328  31.481  44.703  0.00  0.00           C  
-ATOM   2862  C   TRP   179      31.186  27.425  46.514  0.00  0.00           C  
-ATOM   2863  O   TRP   179      30.177  27.030  45.994  0.00  0.00           O  
-ATOM   2864  N   TYR   180      31.978  26.609  47.236  0.00  0.00           N  
-ATOM   2865  H   TYR   180      32.664  27.088  47.802  0.00  0.00           H  
-ATOM   2866  CA  TYR   180      31.629  25.256  47.582  0.00  0.00           C  
-ATOM   2867  HA  TYR   180      30.884  24.926  46.858  0.00  0.00           H  
-ATOM   2868  CB  TYR   180      32.776  24.255  47.520  0.00  0.00           C  
-ATOM   2869  HB2 TYR   180      33.655  24.781  47.891  0.00  0.00           H  
-ATOM   2870  HB3 TYR   180      32.630  23.417  48.201  0.00  0.00           H  
-ATOM   2871  CG  TYR   180      33.138  23.781  46.133  0.00  0.00           C  
-ATOM   2872  CD1 TYR   180      32.677  24.320  44.928  0.00  0.00           C  
-ATOM   2873  HD1 TYR   180      32.041  25.184  44.800  0.00  0.00           H  
-ATOM   2874  CE1 TYR   180      33.009  23.693  43.706  0.00  0.00           C  
-ATOM   2875  HE1 TYR   180      32.429  24.067  42.875  0.00  0.00           H  
-ATOM   2876  CZ  TYR   180      33.824  22.555  43.647  0.00  0.00           C  
-ATOM   2877  OH  TYR   180      34.242  22.039  42.449  0.00  0.00           O  
-ATOM   2878  HH  TYR   180      33.900  22.654  41.795  0.00  0.00           H  
-ATOM   2879  CE2 TYR   180      34.395  22.053  44.833  0.00  0.00           C  
-ATOM   2880  HE2 TYR   180      34.891  21.094  44.876  0.00  0.00           H  
-ATOM   2881  CD2 TYR   180      34.068  22.682  46.051  0.00  0.00           C  
-ATOM   2882  HD2 TYR   180      34.466  22.182  46.921  0.00  0.00           H  
-ATOM   2883  C   TYR   180      30.922  25.215  48.984  0.00  0.00           C  
-ATOM   2884  O   TYR   180      30.953  26.216  49.804  0.00  0.00           O  
-ATOM   2885  N   ALA   181      29.992  24.237  49.193  0.00  0.00           N  
-ATOM   2886  H   ALA   181      29.948  23.510  48.494  0.00  0.00           H  
-ATOM   2887  CA  ALA   181      29.260  23.902  50.468  0.00  0.00           C  
-ATOM   2888  HA  ALA   181      29.102  24.854  50.975  0.00  0.00           H  
-ATOM   2889  CB  ALA   181      27.958  23.360  50.131  0.00  0.00           C  
-ATOM   2890  HB1 ALA   181      27.963  22.278  50.000  0.00  0.00           H  
-ATOM   2891  HB2 ALA   181      27.372  23.635  51.008  0.00  0.00           H  
-ATOM   2892  HB3 ALA   181      27.435  23.771  49.267  0.00  0.00           H  
-ATOM   2893  C   ALA   181      30.169  23.043  51.334  0.00  0.00           C  
-ATOM   2894  O   ALA   181      31.029  22.363  50.763  0.00  0.00           O  
-ATOM   2895  N   PRO   182      29.906  22.879  52.618  0.00  0.00           N  
-ATOM   2896  CD  PRO   182      28.709  23.325  53.343  0.00  0.00           C  
-ATOM   2897  HD2 PRO   182      27.812  22.982  52.829  0.00  0.00           H  
-ATOM   2898  HD3 PRO   182      28.734  24.387  53.588  0.00  0.00           H  
-ATOM   2899  CG  PRO   182      28.789  22.602  54.725  0.00  0.00           C  
-ATOM   2900  HG2 PRO   182      28.380  21.606  54.555  0.00  0.00           H  
-ATOM   2901  HG3 PRO   182      28.302  23.185  55.507  0.00  0.00           H  
-ATOM   2902  CB  PRO   182      30.315  22.546  54.909  0.00  0.00           C  
-ATOM   2903  HB2 PRO   182      30.668  21.776  55.595  0.00  0.00           H  
-ATOM   2904  HB3 PRO   182      30.641  23.543  55.205  0.00  0.00           H  
-ATOM   2905  CA  PRO   182      30.855  22.245  53.533  0.00  0.00           C  
-ATOM   2906  HA  PRO   182      31.818  22.745  53.430  0.00  0.00           H  
-ATOM   2907  C   PRO   182      30.834  20.706  53.357  0.00  0.00           C  
-ATOM   2908  O   PRO   182      31.843  20.091  53.739  0.00  0.00           O  
-ATOM   2909  N   GLU   183      29.822  20.085  52.772  0.00  0.00           N  
-ATOM   2910  H   GLU   183      29.021  20.626  52.479  0.00  0.00           H  
-ATOM   2911  CA  GLU   183      29.969  18.640  52.367  0.00  0.00           C  
-ATOM   2912  HA  GLU   183      30.425  18.077  53.181  0.00  0.00           H  
-ATOM   2913  CB  GLU   183      28.578  17.961  52.017  0.00  0.00           C  
-ATOM   2914  HB2 GLU   183      28.671  16.875  52.002  0.00  0.00           H  
-ATOM   2915  HB3 GLU   183      27.844  18.183  52.792  0.00  0.00           H  
-ATOM   2916  CG  GLU   183      27.999  18.292  50.680  0.00  0.00           C  
-ATOM   2917  HG2 GLU   183      28.674  17.911  49.913  0.00  0.00           H  
-ATOM   2918  HG3 GLU   183      27.157  17.601  50.710  0.00  0.00           H  
-ATOM   2919  CD  GLU   183      27.555  19.727  50.485  0.00  0.00           C  
-ATOM   2920  OE1 GLU   183      27.231  20.090  49.298  0.00  0.00           O  
-ATOM   2921  OE2 GLU   183      27.311  20.500  51.474  0.00  0.00           O  
-ATOM   2922  C   GLU   183      30.894  18.448  51.120  0.00  0.00           C  
-ATOM   2923  O   GLU   183      31.568  17.413  51.089  0.00  0.00           O  
-ATOM   2924  N   CYS   184      31.167  19.512  50.261  0.00  0.00           N  
-ATOM   2925  H   CYS   184      30.618  20.332  50.478  0.00  0.00           H  
-ATOM   2926  CA  CYS   184      32.066  19.513  49.133  0.00  0.00           C  
-ATOM   2927  HA  CYS   184      31.987  18.581  48.574  0.00  0.00           H  
-ATOM   2928  CB  CYS   184      31.725  20.746  48.189  0.00  0.00           C  
-ATOM   2929  HB2 CYS   184      31.877  21.620  48.823  0.00  0.00           H  
-ATOM   2930  HB3 CYS   184      32.332  20.848  47.289  0.00  0.00           H  
-ATOM   2931  SG  CYS   184      29.978  20.581  47.702  0.00  0.00           S  
-ATOM   2932  HG  CYS   184      30.228  19.334  47.293  0.00  0.00           H  
-ATOM   2933  C   CYS   184      33.494  19.547  49.610  0.00  0.00           C  
-ATOM   2934  O   CYS   184      34.414  18.983  48.978  0.00  0.00           O  
-ATOM   2935  N   LEU   185      33.798  20.048  50.826  0.00  0.00           N  
-ATOM   2936  H   LEU   185      33.107  20.542  51.372  0.00  0.00           H  
-ATOM   2937  CA  LEU   185      35.184  20.201  51.287  0.00  0.00           C  
-ATOM   2938  HA  LEU   185      35.830  20.098  50.415  0.00  0.00           H  
-ATOM   2939  CB  LEU   185      35.279  21.726  51.829  0.00  0.00           C  
-ATOM   2940  HB2 LEU   185      34.641  21.716  52.712  0.00  0.00           H  
-ATOM   2941  HB3 LEU   185      36.329  21.803  52.112  0.00  0.00           H  
-ATOM   2942  CG  LEU   185      34.923  22.866  50.840  0.00  0.00           C  
-ATOM   2943  HG  LEU   185      34.115  22.510  50.201  0.00  0.00           H  
-ATOM   2944  CD1 LEU   185      34.585  24.120  51.568  0.00  0.00           C  
-ATOM   2945 HD11 LEU   185      35.530  24.434  52.011  0.00  0.00           H  
-ATOM   2946 HD12 LEU   185      34.183  24.953  50.991  0.00  0.00           H  
-ATOM   2947 HD13 LEU   185      33.940  23.826  52.396  0.00  0.00           H  
-ATOM   2948  CD2 LEU   185      36.030  23.190  49.846  0.00  0.00           C  
-ATOM   2949 HD21 LEU   185      35.654  23.950  49.162  0.00  0.00           H  
-ATOM   2950 HD22 LEU   185      36.937  23.550  50.333  0.00  0.00           H  
-ATOM   2951 HD23 LEU   185      36.366  22.304  49.306  0.00  0.00           H  
-ATOM   2952  C   LEU   185      35.642  19.155  52.264  0.00  0.00           C  
-ATOM   2953  O   LEU   185      36.873  18.770  52.192  0.00  0.00           O  
-ATOM   2954  N   LYS   186      34.731  18.680  53.125  0.00  0.00           N  
-ATOM   2955  H   LYS   186      33.885  19.200  53.312  0.00  0.00           H  
-ATOM   2956  CA  LYS   186      34.981  17.518  54.041  0.00  0.00           C  
-ATOM   2957  HA  LYS   186      36.043  17.578  54.278  0.00  0.00           H  
-ATOM   2958  CB  LYS   186      34.181  17.572  55.346  0.00  0.00           C  
-ATOM   2959  HB2 LYS   186      34.366  18.571  55.740  0.00  0.00           H  
-ATOM   2960  HB3 LYS   186      33.116  17.642  55.123  0.00  0.00           H  
-ATOM   2961  CG  LYS   186      34.362  16.497  56.442  0.00  0.00           C  
-ATOM   2962  HG2 LYS   186      33.805  15.586  56.224  0.00  0.00           H  
-ATOM   2963  HG3 LYS   186      35.394  16.149  56.489  0.00  0.00           H  
-ATOM   2964  CD  LYS   186      33.809  17.053  57.789  0.00  0.00           C  
-ATOM   2965  HD2 LYS   186      34.499  16.712  58.560  0.00  0.00           H  
-ATOM   2966  HD3 LYS   186      33.942  18.135  57.821  0.00  0.00           H  
-ATOM   2967  CE  LYS   186      32.452  16.589  58.325  0.00  0.00           C  
-ATOM   2968  HE2 LYS   186      31.707  16.709  57.539  0.00  0.00           H  
-ATOM   2969  HE3 LYS   186      32.446  15.517  58.523  0.00  0.00           H  
-ATOM   2970  NZ  LYS   186      32.017  17.316  59.521  0.00  0.00           N  
-ATOM   2971  HZ1 LYS   186      32.089  18.321  59.448  0.00  0.00           H  
-ATOM   2972  HZ2 LYS   186      31.060  17.109  59.769  0.00  0.00           H  
-ATOM   2973  HZ3 LYS   186      32.625  17.118  60.302  0.00  0.00           H  
-ATOM   2974  C   LYS   186      34.741  16.265  53.230  0.00  0.00           C  
-ATOM   2975  O   LYS   186      35.654  15.524  52.897  0.00  0.00           O  
-ATOM   2976  N   GLU   187      33.454  15.978  52.933  0.00  0.00           N  
-ATOM   2977  H   GLU   187      32.712  16.641  53.104  0.00  0.00           H  
-ATOM   2978  CA  GLU   187      33.010  14.624  52.455  0.00  0.00           C  
-ATOM   2979  HA  GLU   187      33.607  13.894  53.001  0.00  0.00           H  
-ATOM   2980  CB  GLU   187      31.511  14.345  52.880  0.00  0.00           C  
-ATOM   2981  HB2 GLU   187      30.918  15.189  52.528  0.00  0.00           H  
-ATOM   2982  HB3 GLU   187      31.199  13.388  52.462  0.00  0.00           H  
-ATOM   2983  CG  GLU   187      31.301  14.225  54.426  0.00  0.00           C  
-ATOM   2984  HG2 GLU   187      31.635  15.124  54.944  0.00  0.00           H  
-ATOM   2985  HG3 GLU   187      30.231  14.226  54.633  0.00  0.00           H  
-ATOM   2986  CD  GLU   187      31.936  13.008  55.127  0.00  0.00           C  
-ATOM   2987  OE1 GLU   187      32.660  12.194  54.515  0.00  0.00           O  
-ATOM   2988  OE2 GLU   187      31.853  13.019  56.382  0.00  0.00           O  
-ATOM   2989  C   GLU   187      33.301  14.437  50.890  0.00  0.00           C  
-ATOM   2990  O   GLU   187      33.386  13.280  50.387  0.00  0.00           O  
-ATOM   2991  N   TYR   188      33.493  15.520  50.185  0.00  0.00           N  
-ATOM   2992  H   TYR   188      33.471  16.423  50.636  0.00  0.00           H  
-ATOM   2993  CA  TYR   188      33.596  15.577  48.702  0.00  0.00           C  
-ATOM   2994  HA  TYR   188      33.553  16.637  48.450  0.00  0.00           H  
-ATOM   2995  CB  TYR   188      34.975  15.044  48.209  0.00  0.00           C  
-ATOM   2996  HB2 TYR   188      35.074  13.998  48.500  0.00  0.00           H  
-ATOM   2997  HB3 TYR   188      34.972  15.214  47.132  0.00  0.00           H  
-ATOM   2998  CG  TYR   188      36.291  15.682  48.715  0.00  0.00           C  
-ATOM   2999  CD1 TYR   188      36.753  15.270  49.966  0.00  0.00           C  
-ATOM   3000  HD1 TYR   188      36.155  14.673  50.639  0.00  0.00           H  
-ATOM   3001  CE1 TYR   188      37.975  15.726  50.480  0.00  0.00           C  
-ATOM   3002  HE1 TYR   188      38.335  15.383  51.439  0.00  0.00           H  
-ATOM   3003  CZ  TYR   188      38.773  16.392  49.536  0.00  0.00           C  
-ATOM   3004  OH  TYR   188      40.051  16.726  49.918  0.00  0.00           O  
-ATOM   3005  HH  TYR   188      40.385  17.454  49.388  0.00  0.00           H  
-ATOM   3006  CE2 TYR   188      38.347  16.861  48.285  0.00  0.00           C  
-ATOM   3007  HE2 TYR   188      38.927  17.563  47.704  0.00  0.00           H  
-ATOM   3008  CD2 TYR   188      37.098  16.439  47.806  0.00  0.00           C  
-ATOM   3009  HD2 TYR   188      36.709  16.705  46.834  0.00  0.00           H  
-ATOM   3010  C   TYR   188      32.375  15.048  47.983  0.00  0.00           C  
-ATOM   3011  O   TYR   188      32.526  14.425  46.968  0.00  0.00           O  
-ATOM   3012  N   LYS   189      31.124  15.357  48.395  0.00  0.00           N  
-ATOM   3013  H   LYS   189      31.090  16.012  49.163  0.00  0.00           H  
-ATOM   3014  CA  LYS   189      29.895  15.178  47.662  0.00  0.00           C  
-ATOM   3015  HA  LYS   189      30.061  14.315  47.018  0.00  0.00           H  
-ATOM   3016  CB  LYS   189      28.748  14.770  48.660  0.00  0.00           C  
-ATOM   3017  HB2 LYS   189      28.410  15.664  49.185  0.00  0.00           H  
-ATOM   3018  HB3 LYS   189      27.929  14.395  48.047  0.00  0.00           H  
-ATOM   3019  CG  LYS   189      29.129  13.661  49.694  0.00  0.00           C  
-ATOM   3020  HG2 LYS   189      29.534  12.836  49.109  0.00  0.00           H  
-ATOM   3021  HG3 LYS   189      29.892  14.046  50.372  0.00  0.00           H  
-ATOM   3022  CD  LYS   189      27.930  13.218  50.547  0.00  0.00           C  
-ATOM   3023  HD2 LYS   189      27.578  14.130  51.029  0.00  0.00           H  
-ATOM   3024  HD3 LYS   189      27.217  12.750  49.869  0.00  0.00           H  
-ATOM   3025  CE  LYS   189      28.387  12.238  51.560  0.00  0.00           C  
-ATOM   3026  HE2 LYS   189      29.011  12.837  52.223  0.00  0.00           H  
-ATOM   3027  HE3 LYS   189      27.571  11.969  52.230  0.00  0.00           H  
-ATOM   3028  NZ  LYS   189      28.952  10.945  50.958  0.00  0.00           N  
-ATOM   3029  HZ1 LYS   189      29.795  11.074  50.418  0.00  0.00           H  
-ATOM   3030  HZ2 LYS   189      29.213  10.376  51.751  0.00  0.00           H  
-ATOM   3031  HZ3 LYS   189      28.270  10.378  50.474  0.00  0.00           H  
-ATOM   3032  C   LYS   189      29.614  16.468  46.964  0.00  0.00           C  
-ATOM   3033  O   LYS   189      29.900  17.561  47.402  0.00  0.00           O  
-ATOM   3034  N   PHE   190      28.826  16.213  45.951  0.00  0.00           N  
-ATOM   3035  H   PHE   190      28.849  15.275  45.576  0.00  0.00           H  
-ATOM   3036  CA  PHE   190      28.345  17.293  45.038  0.00  0.00           C  
-ATOM   3037  HA  PHE   190      28.189  18.197  45.625  0.00  0.00           H  
-ATOM   3038  CB  PHE   190      29.455  17.637  44.060  0.00  0.00           C  
-ATOM   3039  HB2 PHE   190      30.464  17.493  44.446  0.00  0.00           H  
-ATOM   3040  HB3 PHE   190      29.342  17.175  43.079  0.00  0.00           H  
-ATOM   3041  CG  PHE   190      29.323  19.128  43.746  0.00  0.00           C  
-ATOM   3042  CD1 PHE   190      30.211  20.075  44.274  0.00  0.00           C  
-ATOM   3043  HD1 PHE   190      30.867  19.702  45.047  0.00  0.00           H  
-ATOM   3044  CE1 PHE   190      30.001  21.452  44.101  0.00  0.00           C  
-ATOM   3045  HE1 PHE   190      30.562  22.169  44.682  0.00  0.00           H  
-ATOM   3046  CZ  PHE   190      28.787  21.851  43.482  0.00  0.00           C  
-ATOM   3047  HZ  PHE   190      28.585  22.904  43.358  0.00  0.00           H  
-ATOM   3048  CE2 PHE   190      28.005  20.900  42.800  0.00  0.00           C  
-ATOM   3049  HE2 PHE   190      27.109  21.253  42.310  0.00  0.00           H  
-ATOM   3050  CD2 PHE   190      28.253  19.538  43.000  0.00  0.00           C  
-ATOM   3051  HD2 PHE   190      27.591  18.793  42.584  0.00  0.00           H  
-ATOM   3052  C   PHE   190      27.002  16.886  44.394  0.00  0.00           C  
-ATOM   3053  O   PHE   190      26.866  16.122  43.466  0.00  0.00           O  
-ATOM   3054  N   TYR   191      25.932  17.505  44.913  0.00  0.00           N  
-ATOM   3055  H   TYR   191      26.102  18.183  45.643  0.00  0.00           H  
-ATOM   3056  CA  TYR   191      24.529  17.311  44.573  0.00  0.00           C  
-ATOM   3057  HA  TYR   191      24.364  16.314  44.164  0.00  0.00           H  
-ATOM   3058  CB  TYR   191      23.760  17.298  45.937  0.00  0.00           C  
-ATOM   3059  HB2 TYR   191      23.758  18.273  46.425  0.00  0.00           H  
-ATOM   3060  HB3 TYR   191      22.702  17.170  45.708  0.00  0.00           H  
-ATOM   3061  CG  TYR   191      24.078  16.279  46.981  0.00  0.00           C  
-ATOM   3062  CD1 TYR   191      23.304  15.124  47.076  0.00  0.00           C  
-ATOM   3063  HD1 TYR   191      22.477  14.979  46.396  0.00  0.00           H  
-ATOM   3064  CE1 TYR   191      23.585  14.266  48.096  0.00  0.00           C  
-ATOM   3065  HE1 TYR   191      22.986  13.369  48.146  0.00  0.00           H  
-ATOM   3066  CZ  TYR   191      24.631  14.412  48.992  0.00  0.00           C  
-ATOM   3067  OH  TYR   191      24.764  13.576  50.036  0.00  0.00           O  
-ATOM   3068  HH  TYR   191      24.142  12.853  50.145  0.00  0.00           H  
-ATOM   3069  CE2 TYR   191      25.415  15.555  48.913  0.00  0.00           C  
-ATOM   3070  HE2 TYR   191      26.121  15.843  49.679  0.00  0.00           H  
-ATOM   3071  CD2 TYR   191      25.136  16.522  47.883  0.00  0.00           C  
-ATOM   3072  HD2 TYR   191      25.725  17.419  47.756  0.00  0.00           H  
-ATOM   3073  C   TYR   191      24.082  18.420  43.587  0.00  0.00           C  
-ATOM   3074  O   TYR   191      24.911  19.251  43.206  0.00  0.00           O  
-ATOM   3075  N   TYR   192      22.874  18.378  43.154  0.00  0.00           N  
-ATOM   3076  H   TYR   192      22.204  17.710  43.507  0.00  0.00           H  
-ATOM   3077  CA  TYR   192      22.261  19.554  42.502  0.00  0.00           C  
-ATOM   3078  HA  TYR   192      22.761  19.927  41.608  0.00  0.00           H  
-ATOM   3079  CB  TYR   192      20.944  19.116  41.935  0.00  0.00           C  
-ATOM   3080  HB2 TYR   192      20.271  18.878  42.759  0.00  0.00           H  
-ATOM   3081  HB3 TYR   192      20.518  19.945  41.370  0.00  0.00           H  
-ATOM   3082  CG  TYR   192      21.069  17.927  41.007  0.00  0.00           C  
-ATOM   3083  CD1 TYR   192      21.258  18.148  39.621  0.00  0.00           C  
-ATOM   3084  HD1 TYR   192      21.446  19.167  39.315  0.00  0.00           H  
-ATOM   3085  CE1 TYR   192      21.384  17.157  38.697  0.00  0.00           C  
-ATOM   3086  HE1 TYR   192      21.609  17.312  37.652  0.00  0.00           H  
-ATOM   3087  CZ  TYR   192      21.140  15.844  39.131  0.00  0.00           C  
-ATOM   3088  OH  TYR   192      21.228  14.897  38.187  0.00  0.00           O  
-ATOM   3089  HH  TYR   192      21.049  14.013  38.515  0.00  0.00           H  
-ATOM   3090  CE2 TYR   192      20.885  15.583  40.485  0.00  0.00           C  
-ATOM   3091  HE2 TYR   192      20.649  14.585  40.823  0.00  0.00           H  
-ATOM   3092  CD2 TYR   192      20.734  16.635  41.460  0.00  0.00           C  
-ATOM   3093  HD2 TYR   192      20.571  16.284  42.469  0.00  0.00           H  
-ATOM   3094  C   TYR   192      22.158  20.697  43.602  0.00  0.00           C  
-ATOM   3095  O   TYR   192      22.485  21.832  43.370  0.00  0.00           O  
-ATOM   3096  N   ALA   193      21.836  20.419  44.845  0.00  0.00           N  
-ATOM   3097  H   ALA   193      21.417  19.537  45.103  0.00  0.00           H  
-ATOM   3098  CA  ALA   193      21.891  21.285  46.066  0.00  0.00           C  
-ATOM   3099  HA  ALA   193      21.358  22.172  45.725  0.00  0.00           H  
-ATOM   3100  CB  ALA   193      21.216  20.453  47.157  0.00  0.00           C  
-ATOM   3101  HB1 ALA   193      21.808  19.541  47.227  0.00  0.00           H  
-ATOM   3102  HB2 ALA   193      21.264  21.010  48.092  0.00  0.00           H  
-ATOM   3103  HB3 ALA   193      20.215  20.188  46.817  0.00  0.00           H  
-ATOM   3104  C   ALA   193      23.305  21.634  46.481  0.00  0.00           C  
-ATOM   3105  O   ALA   193      23.352  22.273  47.531  0.00  0.00           O  
-ATOM   3106  N   SER   194      24.400  21.260  45.791  0.00  0.00           N  
-ATOM   3107  H   SER   194      24.273  20.741  44.934  0.00  0.00           H  
-ATOM   3108  CA  SER   194      25.711  21.764  46.131  0.00  0.00           C  
-ATOM   3109  HA  SER   194      25.789  22.150  47.147  0.00  0.00           H  
-ATOM   3110  CB  SER   194      26.741  20.645  45.942  0.00  0.00           C  
-ATOM   3111  HB2 SER   194      26.677  20.268  44.921  0.00  0.00           H  
-ATOM   3112  HB3 SER   194      27.710  21.111  46.120  0.00  0.00           H  
-ATOM   3113  OG  SER   194      26.397  19.608  46.854  0.00  0.00           O  
-ATOM   3114  HG  SER   194      27.056  19.681  47.549  0.00  0.00           H  
-ATOM   3115  C   SER   194      25.982  22.961  45.200  0.00  0.00           C  
-ATOM   3116  O   SER   194      26.588  23.906  45.637  0.00  0.00           O  
-ATOM   3117  N   ASP   195      25.453  22.946  43.973  0.00  0.00           N  
-ATOM   3118  H   ASP   195      25.135  22.030  43.693  0.00  0.00           H  
-ATOM   3119  CA  ASP   195      25.473  23.992  42.973  0.00  0.00           C  
-ATOM   3120  HA  ASP   195      26.489  24.377  42.895  0.00  0.00           H  
-ATOM   3121  CB  ASP   195      24.962  23.529  41.573  0.00  0.00           C  
-ATOM   3122  HB2 ASP   195      24.369  22.630  41.742  0.00  0.00           H  
-ATOM   3123  HB3 ASP   195      24.241  24.294  41.284  0.00  0.00           H  
-ATOM   3124  CG  ASP   195      26.021  23.300  40.482  0.00  0.00           C  
-ATOM   3125  OD1 ASP   195      27.235  23.547  40.702  0.00  0.00           O  
-ATOM   3126  OD2 ASP   195      25.621  22.750  39.410  0.00  0.00           O  
-ATOM   3127  C   ASP   195      24.546  25.205  43.382  0.00  0.00           C  
-ATOM   3128  O   ASP   195      24.801  26.323  42.958  0.00  0.00           O  
-ATOM   3129  N   VAL   196      23.515  25.035  44.210  0.00  0.00           N  
-ATOM   3130  H   VAL   196      23.243  24.076  44.375  0.00  0.00           H  
-ATOM   3131  CA  VAL   196      22.634  26.095  44.648  0.00  0.00           C  
-ATOM   3132  HA  VAL   196      22.393  26.822  43.872  0.00  0.00           H  
-ATOM   3133  CB  VAL   196      21.346  25.474  45.155  0.00  0.00           C  
-ATOM   3134  HB  VAL   196      21.010  24.636  44.545  0.00  0.00           H  
-ATOM   3135  CG1 VAL   196      21.450  24.917  46.569  0.00  0.00           C  
-ATOM   3136 HG11 VAL   196      21.593  25.743  47.265  0.00  0.00           H  
-ATOM   3137 HG12 VAL   196      20.538  24.375  46.819  0.00  0.00           H  
-ATOM   3138 HG13 VAL   196      22.227  24.174  46.748  0.00  0.00           H  
-ATOM   3139  CG2 VAL   196      20.257  26.558  45.179  0.00  0.00           C  
-ATOM   3140 HG21 VAL   196      20.012  26.888  44.170  0.00  0.00           H  
-ATOM   3141 HG22 VAL   196      19.368  26.130  45.642  0.00  0.00           H  
-ATOM   3142 HG23 VAL   196      20.544  27.509  45.627  0.00  0.00           H  
-ATOM   3143  C   VAL   196      23.281  26.976  45.686  0.00  0.00           C  
-ATOM   3144  O   VAL   196      23.035  28.144  45.889  0.00  0.00           O  
-ATOM   3145  N   TRP   197      24.215  26.366  46.465  0.00  0.00           N  
-ATOM   3146  H   TRP   197      24.417  25.408  46.218  0.00  0.00           H  
-ATOM   3147  CA  TRP   197      25.078  27.163  47.333  0.00  0.00           C  
-ATOM   3148  HA  TRP   197      24.473  27.704  48.060  0.00  0.00           H  
-ATOM   3149  CB  TRP   197      25.955  26.216  48.173  0.00  0.00           C  
-ATOM   3150  HB2 TRP   197      25.319  25.520  48.720  0.00  0.00           H  
-ATOM   3151  HB3 TRP   197      26.564  25.647  47.471  0.00  0.00           H  
-ATOM   3152  CG  TRP   197      26.890  26.920  49.116  0.00  0.00           C  
-ATOM   3153  CD1 TRP   197      27.937  27.708  48.833  0.00  0.00           C  
-ATOM   3154  HD1 TRP   197      28.433  27.877  47.889  0.00  0.00           H  
-ATOM   3155  NE1 TRP   197      28.574  28.039  49.977  0.00  0.00           N  
-ATOM   3156  HE1 TRP   197      29.504  28.431  50.021  0.00  0.00           H  
-ATOM   3157  CE2 TRP   197      27.878  27.568  51.029  0.00  0.00           C  
-ATOM   3158  CZ2 TRP   197      28.167  27.637  52.420  0.00  0.00           C  
-ATOM   3159  HZ2 TRP   197      28.830  28.402  52.795  0.00  0.00           H  
-ATOM   3160  CH2 TRP   197      27.393  26.899  53.337  0.00  0.00           C  
-ATOM   3161  HH2 TRP   197      27.535  27.168  54.373  0.00  0.00           H  
-ATOM   3162  CZ3 TRP   197      26.409  26.012  52.889  0.00  0.00           C  
-ATOM   3163  HZ3 TRP   197      25.889  25.347  53.563  0.00  0.00           H  
-ATOM   3164  CE3 TRP   197      26.202  25.944  51.476  0.00  0.00           C  
-ATOM   3165  HE3 TRP   197      25.537  25.221  51.027  0.00  0.00           H  
-ATOM   3166  CD2 TRP   197      26.942  26.743  50.555  0.00  0.00           C  
-ATOM   3167  C   TRP   197      25.956  28.086  46.580  0.00  0.00           C  
-ATOM   3168  O   TRP   197      25.945  29.277  46.917  0.00  0.00           O  
-ATOM   3169  N   SER   198      26.667  27.562  45.584  0.00  0.00           N  
-ATOM   3170  H   SER   198      26.665  26.557  45.477  0.00  0.00           H  
-ATOM   3171  CA  SER   198      27.506  28.359  44.641  0.00  0.00           C  
-ATOM   3172  HA  SER   198      28.344  28.892  45.090  0.00  0.00           H  
-ATOM   3173  CB  SER   198      27.957  27.531  43.474  0.00  0.00           C  
-ATOM   3174  HB2 SER   198      27.146  27.340  42.772  0.00  0.00           H  
-ATOM   3175  HB3 SER   198      28.815  28.051  43.048  0.00  0.00           H  
-ATOM   3176  OG  SER   198      28.318  26.324  44.095  0.00  0.00           O  
-ATOM   3177  HG  SER   198      28.842  26.629  44.839  0.00  0.00           H  
-ATOM   3178  C   SER   198      26.664  29.478  44.013  0.00  0.00           C  
-ATOM   3179  O   SER   198      27.178  30.575  43.850  0.00  0.00           O  
-ATOM   3180  N   PHE   199      25.397  29.169  43.653  0.00  0.00           N  
-ATOM   3181  H   PHE   199      25.061  28.217  43.620  0.00  0.00           H  
-ATOM   3182  CA  PHE   199      24.571  30.288  43.222  0.00  0.00           C  
-ATOM   3183  HA  PHE   199      25.192  30.821  42.501  0.00  0.00           H  
-ATOM   3184  CB  PHE   199      23.307  29.780  42.638  0.00  0.00           C  
-ATOM   3185  HB2 PHE   199      23.560  29.401  41.647  0.00  0.00           H  
-ATOM   3186  HB3 PHE   199      22.895  28.960  43.226  0.00  0.00           H  
-ATOM   3187  CG  PHE   199      22.253  30.853  42.491  0.00  0.00           C  
-ATOM   3188  CD1 PHE   199      22.456  31.869  41.559  0.00  0.00           C  
-ATOM   3189  HD1 PHE   199      23.347  31.879  40.949  0.00  0.00           H  
-ATOM   3190  CE1 PHE   199      21.400  32.778  41.416  0.00  0.00           C  
-ATOM   3191  HE1 PHE   199      21.416  33.586  40.699  0.00  0.00           H  
-ATOM   3192  CZ  PHE   199      20.325  32.804  42.320  0.00  0.00           C  
-ATOM   3193  HZ  PHE   199      19.587  33.585  42.217  0.00  0.00           H  
-ATOM   3194  CE2 PHE   199      20.231  31.905  43.363  0.00  0.00           C  
-ATOM   3195  HE2 PHE   199      19.513  31.975  44.168  0.00  0.00           H  
-ATOM   3196  CD2 PHE   199      21.220  30.893  43.399  0.00  0.00           C  
-ATOM   3197  HD2 PHE   199      21.179  30.158  44.189  0.00  0.00           H  
-ATOM   3198  C   PHE   199      24.388  31.335  44.342  0.00  0.00           C  
-ATOM   3199  O   PHE   199      24.723  32.513  44.085  0.00  0.00           O  
-ATOM   3200  N   GLY   200      23.991  30.908  45.571  0.00  0.00           N  
-ATOM   3201  H   GLY   200      23.819  29.973  45.911  0.00  0.00           H  
-ATOM   3202  CA  GLY   200      23.859  31.954  46.609  0.00  0.00           C  
-ATOM   3203  HA2 GLY   200      23.113  32.654  46.232  0.00  0.00           H  
-ATOM   3204  HA3 GLY   200      23.389  31.494  47.478  0.00  0.00           H  
-ATOM   3205  C   GLY   200      25.066  32.760  46.939  0.00  0.00           C  
-ATOM   3206  O   GLY   200      24.967  33.917  47.297  0.00  0.00           O  
-ATOM   3207  N   VAL   201      26.327  32.295  46.766  0.00  0.00           N  
-ATOM   3208  H   VAL   201      26.359  31.348  46.416  0.00  0.00           H  
-ATOM   3209  CA  VAL   201      27.545  33.040  46.835  0.00  0.00           C  
-ATOM   3210  HA  VAL   201      27.488  33.669  47.723  0.00  0.00           H  
-ATOM   3211  CB  VAL   201      28.693  32.130  47.159  0.00  0.00           C  
-ATOM   3212  HB  VAL   201      28.654  31.324  46.426  0.00  0.00           H  
-ATOM   3213  CG1 VAL   201      30.107  32.758  47.113  0.00  0.00           C  
-ATOM   3214 HG11 VAL   201      30.218  33.470  46.295  0.00  0.00           H  
-ATOM   3215 HG12 VAL   201      30.326  33.362  47.994  0.00  0.00           H  
-ATOM   3216 HG13 VAL   201      30.820  31.938  47.030  0.00  0.00           H  
-ATOM   3217  CG2 VAL   201      28.494  31.330  48.458  0.00  0.00           C  
-ATOM   3218 HG21 VAL   201      29.241  30.549  48.600  0.00  0.00           H  
-ATOM   3219 HG22 VAL   201      28.410  32.020  49.298  0.00  0.00           H  
-ATOM   3220 HG23 VAL   201      27.646  30.650  48.389  0.00  0.00           H  
-ATOM   3221  C   VAL   201      27.794  33.929  45.567  0.00  0.00           C  
-ATOM   3222  O   VAL   201      28.131  35.107  45.754  0.00  0.00           O  
-ATOM   3223  N   THR   202      27.551  33.429  44.328  0.00  0.00           N  
-ATOM   3224  H   THR   202      27.332  32.445  44.268  0.00  0.00           H  
-ATOM   3225  CA  THR   202      27.505  34.274  43.094  0.00  0.00           C  
-ATOM   3226  HA  THR   202      28.517  34.643  42.930  0.00  0.00           H  
-ATOM   3227  CB  THR   202      27.059  33.507  41.881  0.00  0.00           C  
-ATOM   3228  HB  THR   202      26.048  33.123  42.010  0.00  0.00           H  
-ATOM   3229  CG2 THR   202      26.974  34.390  40.646  0.00  0.00           C  
-ATOM   3230 HG21 THR   202      27.822  35.063  40.527  0.00  0.00           H  
-ATOM   3231 HG22 THR   202      27.053  33.843  39.707  0.00  0.00           H  
-ATOM   3232 HG23 THR   202      26.053  34.968  40.719  0.00  0.00           H  
-ATOM   3233  OG1 THR   202      27.990  32.560  41.514  0.00  0.00           O  
-ATOM   3234  HG1 THR   202      27.960  31.904  42.214  0.00  0.00           H  
-ATOM   3235  C   THR   202      26.544  35.409  43.372  0.00  0.00           C  
-ATOM   3236  O   THR   202      26.799  36.504  42.952  0.00  0.00           O  
-ATOM   3237  N   LEU   203      25.381  35.194  43.991  0.00  0.00           N  
-ATOM   3238  H   LEU   203      25.136  34.225  44.135  0.00  0.00           H  
-ATOM   3239  CA  LEU   203      24.429  36.263  44.197  0.00  0.00           C  
-ATOM   3240  HA  LEU   203      24.354  36.789  43.245  0.00  0.00           H  
-ATOM   3241  CB  LEU   203      23.104  35.557  44.555  0.00  0.00           C  
-ATOM   3242  HB2 LEU   203      22.751  34.953  43.719  0.00  0.00           H  
-ATOM   3243  HB3 LEU   203      23.254  34.834  45.356  0.00  0.00           H  
-ATOM   3244  CG  LEU   203      21.950  36.498  44.877  0.00  0.00           C  
-ATOM   3245  HG  LEU   203      22.196  37.091  45.758  0.00  0.00           H  
-ATOM   3246  CD1 LEU   203      21.551  37.463  43.707  0.00  0.00           C  
-ATOM   3247 HD11 LEU   203      22.462  37.743  43.178  0.00  0.00           H  
-ATOM   3248 HD12 LEU   203      20.943  36.885  43.011  0.00  0.00           H  
-ATOM   3249 HD13 LEU   203      21.032  38.359  44.048  0.00  0.00           H  
-ATOM   3250  CD2 LEU   203      20.655  35.736  45.123  0.00  0.00           C  
-ATOM   3251 HD21 LEU   203      20.367  35.214  44.210  0.00  0.00           H  
-ATOM   3252 HD22 LEU   203      20.941  35.103  45.964  0.00  0.00           H  
-ATOM   3253 HD23 LEU   203      19.935  36.534  45.303  0.00  0.00           H  
-ATOM   3254  C   LEU   203      24.989  37.296  45.207  0.00  0.00           C  
-ATOM   3255  O   LEU   203      24.731  38.507  44.924  0.00  0.00           O  
-ATOM   3256  N   TYR   204      25.836  36.997  46.209  0.00  0.00           N  
-ATOM   3257  H   TYR   204      26.089  36.033  46.372  0.00  0.00           H  
-ATOM   3258  CA  TYR   204      26.576  37.981  47.031  0.00  0.00           C  
-ATOM   3259  HA  TYR   204      25.852  38.733  47.345  0.00  0.00           H  
-ATOM   3260  CB  TYR   204      27.215  37.344  48.295  0.00  0.00           C  
-ATOM   3261  HB2 TYR   204      26.399  37.107  48.977  0.00  0.00           H  
-ATOM   3262  HB3 TYR   204      27.733  36.440  47.974  0.00  0.00           H  
-ATOM   3263  CG  TYR   204      28.222  38.133  49.109  0.00  0.00           C  
-ATOM   3264  CD1 TYR   204      27.741  38.829  50.279  0.00  0.00           C  
-ATOM   3265  HD1 TYR   204      26.827  38.665  50.830  0.00  0.00           H  
-ATOM   3266  CE1 TYR   204      28.646  39.715  50.910  0.00  0.00           C  
-ATOM   3267  HE1 TYR   204      28.318  40.304  51.753  0.00  0.00           H  
-ATOM   3268  CZ  TYR   204      29.959  39.831  50.482  0.00  0.00           C  
-ATOM   3269  OH  TYR   204      30.811  40.700  51.073  0.00  0.00           O  
-ATOM   3270  HH  TYR   204      31.677  40.768  50.662  0.00  0.00           H  
-ATOM   3271  CE2 TYR   204      30.410  39.058  49.388  0.00  0.00           C  
-ATOM   3272  HE2 TYR   204      31.418  39.115  49.004  0.00  0.00           H  
-ATOM   3273  CD2 TYR   204      29.556  38.181  48.689  0.00  0.00           C  
-ATOM   3274  HD2 TYR   204      29.947  37.652  47.833  0.00  0.00           H  
-ATOM   3275  C   TYR   204      27.549  38.802  46.182  0.00  0.00           C  
-ATOM   3276  O   TYR   204      27.716  39.975  46.396  0.00  0.00           O  
-ATOM   3277  N   GLU   205      28.174  38.223  45.187  0.00  0.00           N  
-ATOM   3278  H   GLU   205      27.836  37.288  45.007  0.00  0.00           H  
-ATOM   3279  CA  GLU   205      28.892  38.920  44.127  0.00  0.00           C  
-ATOM   3280  HA  GLU   205      29.635  39.485  44.691  0.00  0.00           H  
-ATOM   3281  CB  GLU   205      29.726  37.937  43.227  0.00  0.00           C  
-ATOM   3282  HB2 GLU   205      29.096  37.243  42.671  0.00  0.00           H  
-ATOM   3283  HB3 GLU   205      30.321  38.518  42.523  0.00  0.00           H  
-ATOM   3284  CG  GLU   205      30.789  37.135  43.958  0.00  0.00           C  
-ATOM   3285  HG2 GLU   205      31.357  37.816  44.592  0.00  0.00           H  
-ATOM   3286  HG3 GLU   205      30.362  36.449  44.689  0.00  0.00           H  
-ATOM   3287  CD  GLU   205      31.755  36.289  43.033  0.00  0.00           C  
-ATOM   3288  OE1 GLU   205      31.332  35.252  42.464  0.00  0.00           O  
-ATOM   3289  OE2 GLU   205      32.845  36.832  42.774  0.00  0.00           O  
-ATOM   3290  C   GLU   205      28.059  39.903  43.241  0.00  0.00           C  
-ATOM   3291  O   GLU   205      28.481  41.040  43.042  0.00  0.00           O  
-ATOM   3292  N   LEU   206      26.901  39.447  42.778  0.00  0.00           N  
-ATOM   3293  H   LEU   206      26.599  38.495  42.930  0.00  0.00           H  
-ATOM   3294  CA  LEU   206      26.011  40.408  42.078  0.00  0.00           C  
-ATOM   3295  HA  LEU   206      26.556  40.848  41.243  0.00  0.00           H  
-ATOM   3296  CB  LEU   206      24.736  39.655  41.500  0.00  0.00           C  
-ATOM   3297  HB2 LEU   206      24.487  38.934  42.278  0.00  0.00           H  
-ATOM   3298  HB3 LEU   206      23.883  40.331  41.454  0.00  0.00           H  
-ATOM   3299  CG  LEU   206      24.976  39.071  40.140  0.00  0.00           C  
-ATOM   3300  HG  LEU   206      25.036  39.779  39.313  0.00  0.00           H  
-ATOM   3301  CD1 LEU   206      26.189  38.141  39.995  0.00  0.00           C  
-ATOM   3302 HD11 LEU   206      26.209  37.548  39.081  0.00  0.00           H  
-ATOM   3303 HD12 LEU   206      27.140  38.663  39.885  0.00  0.00           H  
-ATOM   3304 HD13 LEU   206      26.280  37.419  40.806  0.00  0.00           H  
-ATOM   3305  CD2 LEU   206      23.763  38.184  39.809  0.00  0.00           C  
-ATOM   3306 HD21 LEU   206      24.037  37.643  38.903  0.00  0.00           H  
-ATOM   3307 HD22 LEU   206      23.562  37.499  40.632  0.00  0.00           H  
-ATOM   3308 HD23 LEU   206      22.849  38.742  39.602  0.00  0.00           H  
-ATOM   3309  C   LEU   206      25.561  41.542  42.928  0.00  0.00           C  
-ATOM   3310  O   LEU   206      25.712  42.710  42.499  0.00  0.00           O  
-ATOM   3311  N   LEU   207      25.064  41.272  44.183  0.00  0.00           N  
-ATOM   3312  H   LEU   207      24.874  40.313  44.437  0.00  0.00           H  
-ATOM   3313  CA  LEU   207      24.523  42.319  45.011  0.00  0.00           C  
-ATOM   3314  HA  LEU   207      23.932  43.008  44.408  0.00  0.00           H  
-ATOM   3315  CB  LEU   207      23.708  41.680  46.209  0.00  0.00           C  
-ATOM   3316  HB2 LEU   207      24.334  40.882  46.609  0.00  0.00           H  
-ATOM   3317  HB3 LEU   207      23.378  42.441  46.916  0.00  0.00           H  
-ATOM   3318  CG  LEU   207      22.415  40.962  45.760  0.00  0.00           C  
-ATOM   3319  HG  LEU   207      22.586  40.573  44.756  0.00  0.00           H  
-ATOM   3320  CD1 LEU   207      21.987  39.892  46.790  0.00  0.00           C  
-ATOM   3321 HD11 LEU   207      21.199  39.204  46.483  0.00  0.00           H  
-ATOM   3322 HD12 LEU   207      22.847  39.253  46.990  0.00  0.00           H  
-ATOM   3323 HD13 LEU   207      21.738  40.366  47.739  0.00  0.00           H  
-ATOM   3324  CD2 LEU   207      21.256  41.865  45.592  0.00  0.00           C  
-ATOM   3325 HD21 LEU   207      21.070  42.240  46.598  0.00  0.00           H  
-ATOM   3326 HD22 LEU   207      21.475  42.696  44.921  0.00  0.00           H  
-ATOM   3327 HD23 LEU   207      20.441  41.245  45.219  0.00  0.00           H  
-ATOM   3328  C   LEU   207      25.573  43.165  45.728  0.00  0.00           C  
-ATOM   3329  O   LEU   207      25.224  44.371  45.894  0.00  0.00           O  
-ATOM   3330  N   THR   208      26.852  42.702  45.635  0.00  0.00           N  
-ATOM   3331  H   THR   208      27.041  41.743  45.382  0.00  0.00           H  
-ATOM   3332  CA  THR   208      28.048  43.589  45.897  0.00  0.00           C  
-ATOM   3333  HA  THR   208      27.768  44.449  46.505  0.00  0.00           H  
-ATOM   3334  CB  THR   208      29.230  42.965  46.696  0.00  0.00           C  
-ATOM   3335  HB  THR   208      30.052  43.664  46.848  0.00  0.00           H  
-ATOM   3336  CG2 THR   208      28.840  42.466  48.087  0.00  0.00           C  
-ATOM   3337 HG21 THR   208      29.700  41.954  48.519  0.00  0.00           H  
-ATOM   3338 HG22 THR   208      28.569  43.272  48.769  0.00  0.00           H  
-ATOM   3339 HG23 THR   208      28.003  41.772  48.169  0.00  0.00           H  
-ATOM   3340  OG1 THR   208      29.716  41.777  45.993  0.00  0.00           O  
-ATOM   3341  HG1 THR   208      29.062  41.110  46.213  0.00  0.00           H  
-ATOM   3342  C   THR   208      28.651  44.250  44.645  0.00  0.00           C  
-ATOM   3343  O   THR   208      29.741  44.860  44.753  0.00  0.00           O  
-ATOM   3344  N   HIE   209      28.050  44.103  43.479  0.00  0.00           N  
-ATOM   3345  H   HIE   209      27.194  43.568  43.458  0.00  0.00           H  
-ATOM   3346  CA  HIE   209      28.713  44.581  42.233  0.00  0.00           C  
-ATOM   3347  HA  HIE   209      28.168  44.161  41.388  0.00  0.00           H  
-ATOM   3348  CB  HIE   209      28.421  46.123  42.156  0.00  0.00           C  
-ATOM   3349  HB2 HIE   209      29.155  46.642  42.772  0.00  0.00           H  
-ATOM   3350  HB3 HIE   209      28.718  46.399  41.144  0.00  0.00           H  
-ATOM   3351  CG  HIE   209      27.000  46.565  42.257  0.00  0.00           C  
-ATOM   3352  ND1 HIE   209      26.657  47.875  42.456  0.00  0.00           N  
-ATOM   3353  CE1 HIE   209      25.274  48.020  42.241  0.00  0.00           C  
-ATOM   3354  HE1 HIE   209      24.639  48.894  42.226  0.00  0.00           H  
-ATOM   3355  NE2 HIE   209      24.817  46.788  41.941  0.00  0.00           N  
-ATOM   3356  HE2 HIE   209      23.856  46.605  41.689  0.00  0.00           H  
-ATOM   3357  CD2 HIE   209      25.870  45.895  41.883  0.00  0.00           C  
-ATOM   3358  HD2 HIE   209      25.917  44.865  41.562  0.00  0.00           H  
-ATOM   3359  C   HIE   209      30.279  44.247  42.072  0.00  0.00           C  
-ATOM   3360  O   HIE   209      31.076  45.089  41.693  0.00  0.00           O  
-ATOM   3361  N   CYS   210      30.569  42.973  42.333  0.00  0.00           N  
-ATOM   3362  H   CYS   210      29.750  42.427  42.558  0.00  0.00           H  
-ATOM   3363  CA  CYS   210      31.766  42.198  42.227  0.00  0.00           C  
-ATOM   3364  HA  CYS   210      31.693  41.344  42.901  0.00  0.00           H  
-ATOM   3365  CB  CYS   210      31.780  41.615  40.806  0.00  0.00           C  
-ATOM   3366  HB2 CYS   210      31.704  42.481  40.149  0.00  0.00           H  
-ATOM   3367  HB3 CYS   210      32.720  41.140  40.527  0.00  0.00           H  
-ATOM   3368  SG  CYS   210      30.477  40.481  40.453  0.00  0.00           S  
-ATOM   3369  HG  CYS   210      31.249  39.432  40.753  0.00  0.00           H  
-ATOM   3370  C   CYS   210      32.972  42.910  42.704  0.00  0.00           C  
-ATOM   3371  O   CYS   210      34.056  42.772  42.127  0.00  0.00           O  
-ATOM   3372  N   ASP   211      32.772  43.808  43.680  0.00  0.00           N  
-ATOM   3373  H   ASP   211      31.814  44.075  43.856  0.00  0.00           H  
-ATOM   3374  CA  ASP   211      33.898  44.460  44.449  0.00  0.00           C  
-ATOM   3375  HA  ASP   211      34.355  45.122  43.714  0.00  0.00           H  
-ATOM   3376  CB  ASP   211      33.287  45.362  45.466  0.00  0.00           C  
-ATOM   3377  HB2 ASP   211      32.621  46.088  44.999  0.00  0.00           H  
-ATOM   3378  HB3 ASP   211      32.684  44.813  46.188  0.00  0.00           H  
-ATOM   3379  CG  ASP   211      34.334  46.093  46.290  0.00  0.00           C  
-ATOM   3380  OD1 ASP   211      33.899  46.864  47.129  0.00  0.00           O  
-ATOM   3381  OD2 ASP   211      35.533  45.889  46.126  0.00  0.00           O  
-ATOM   3382  C   ASP   211      34.929  43.353  44.920  0.00  0.00           C  
-ATOM   3383  O   ASP   211      34.567  42.647  45.905  0.00  0.00           O  
-ATOM   3384  N   SER   212      36.164  43.267  44.401  0.00  0.00           N  
-ATOM   3385  H   SER   212      36.299  43.841  43.581  0.00  0.00           H  
-ATOM   3386  CA  SER   212      37.369  42.606  44.886  0.00  0.00           C  
-ATOM   3387  HA  SER   212      37.279  41.521  44.847  0.00  0.00           H  
-ATOM   3388  CB  SER   212      38.630  43.050  44.163  0.00  0.00           C  
-ATOM   3389  HB2 SER   212      39.572  42.562  44.413  0.00  0.00           H  
-ATOM   3390  HB3 SER   212      38.465  42.858  43.103  0.00  0.00           H  
-ATOM   3391  OG  SER   212      38.914  44.445  44.485  0.00  0.00           O  
-ATOM   3392  HG  SER   212      38.360  45.009  43.940  0.00  0.00           H  
-ATOM   3393  C   SER   212      37.564  42.815  46.431  0.00  0.00           C  
-ATOM   3394  O   SER   212      37.942  41.893  47.128  0.00  0.00           O  
-ATOM   3395  N   SER   213      37.239  43.962  47.019  0.00  0.00           N  
-ATOM   3396  H   SER   213      36.922  44.730  46.444  0.00  0.00           H  
-ATOM   3397  CA  SER   213      37.603  44.314  48.460  0.00  0.00           C  
-ATOM   3398  HA  SER   213      38.627  43.969  48.602  0.00  0.00           H  
-ATOM   3399  CB  SER   213      37.498  45.851  48.626  0.00  0.00           C  
-ATOM   3400  HB2 SER   213      38.024  46.180  49.522  0.00  0.00           H  
-ATOM   3401  HB3 SER   213      37.885  46.431  47.788  0.00  0.00           H  
-ATOM   3402  OG  SER   213      36.051  46.100  48.852  0.00  0.00           O  
-ATOM   3403  HG  SER   213      35.704  46.204  47.963  0.00  0.00           H  
-ATOM   3404  C   SER   213      36.822  43.606  49.528  0.00  0.00           C  
-ATOM   3405  O   SER   213      37.322  43.466  50.606  0.00  0.00           O  
-ATOM   3406  N   GLN   214      35.675  43.150  49.116  0.00  0.00           N  
-ATOM   3407  H   GLN   214      35.455  43.279  48.139  0.00  0.00           H  
-ATOM   3408  CA  GLN   214      34.667  42.444  49.914  0.00  0.00           C  
-ATOM   3409  HA  GLN   214      35.036  41.987  50.833  0.00  0.00           H  
-ATOM   3410  CB  GLN   214      33.593  43.398  50.259  0.00  0.00           C  
-ATOM   3411  HB2 GLN   214      32.829  42.865  50.825  0.00  0.00           H  
-ATOM   3412  HB3 GLN   214      33.977  44.176  50.920  0.00  0.00           H  
-ATOM   3413  CG  GLN   214      32.868  44.031  49.021  0.00  0.00           C  
-ATOM   3414  HG2 GLN   214      33.610  44.656  48.524  0.00  0.00           H  
-ATOM   3415  HG3 GLN   214      32.493  43.184  48.446  0.00  0.00           H  
-ATOM   3416  CD  GLN   214      31.650  44.896  49.302  0.00  0.00           C  
-ATOM   3417  OE1 GLN   214      30.984  44.712  50.285  0.00  0.00           O  
-ATOM   3418  NE2 GLN   214      31.257  45.785  48.427  0.00  0.00           N  
-ATOM   3419 HE21 GLN   214      31.896  46.130  47.724  0.00  0.00           H  
-ATOM   3420 HE22 GLN   214      30.460  46.294  48.780  0.00  0.00           H  
-ATOM   3421  C   GLN   214      34.183  41.182  49.262  0.00  0.00           C  
-ATOM   3422  O   GLN   214      33.132  40.719  49.664  0.00  0.00           O  
-ATOM   3423  N   SER   215      34.932  40.717  48.248  0.00  0.00           N  
-ATOM   3424  H   SER   215      35.856  41.122  48.209  0.00  0.00           H  
-ATOM   3425  CA  SER   215      34.629  39.477  47.520  0.00  0.00           C  
-ATOM   3426  HA  SER   215      33.737  39.681  46.928  0.00  0.00           H  
-ATOM   3427  CB  SER   215      35.681  39.317  46.412  0.00  0.00           C  
-ATOM   3428  HB2 SER   215      35.406  38.436  45.832  0.00  0.00           H  
-ATOM   3429  HB3 SER   215      35.686  40.209  45.786  0.00  0.00           H  
-ATOM   3430  OG  SER   215      36.971  39.118  46.946  0.00  0.00           O  
-ATOM   3431  HG  SER   215      37.355  39.992  47.043  0.00  0.00           H  
-ATOM   3432  C   SER   215      34.615  38.203  48.436  0.00  0.00           C  
-ATOM   3433  O   SER   215      35.249  38.147  49.512  0.00  0.00           O  
-ATOM   3434  N   PRO   216      33.968  37.088  47.957  0.00  0.00           N  
-ATOM   3435  CD  PRO   216      33.169  36.913  46.727  0.00  0.00           C  
-ATOM   3436  HD2 PRO   216      33.790  36.729  45.851  0.00  0.00           H  
-ATOM   3437  HD3 PRO   216      32.619  37.832  46.523  0.00  0.00           H  
-ATOM   3438  CG  PRO   216      32.281  35.704  47.004  0.00  0.00           C  
-ATOM   3439  HG2 PRO   216      31.952  35.265  46.062  0.00  0.00           H  
-ATOM   3440  HG3 PRO   216      31.318  36.052  47.378  0.00  0.00           H  
-ATOM   3441  CB  PRO   216      33.087  34.818  47.960  0.00  0.00           C  
-ATOM   3442  HB2 PRO   216      33.688  34.110  47.388  0.00  0.00           H  
-ATOM   3443  HB3 PRO   216      32.553  34.224  48.702  0.00  0.00           H  
-ATOM   3444  CA  PRO   216      33.892  35.883  48.833  0.00  0.00           C  
-ATOM   3445  HA  PRO   216      33.308  36.194  49.699  0.00  0.00           H  
-ATOM   3446  C   PRO   216      35.199  35.385  49.428  0.00  0.00           C  
-ATOM   3447  O   PRO   216      35.178  35.305  50.609  0.00  0.00           O  
-ATOM   3448  N   PRO   217      36.288  35.113  48.739  0.00  0.00           N  
-ATOM   3449  CD  PRO   217      36.489  35.208  47.277  0.00  0.00           C  
-ATOM   3450  HD2 PRO   217      36.780  36.197  46.923  0.00  0.00           H  
-ATOM   3451  HD3 PRO   217      35.590  34.915  46.735  0.00  0.00           H  
-ATOM   3452  CG  PRO   217      37.610  34.266  46.919  0.00  0.00           C  
-ATOM   3453  HG2 PRO   217      38.157  34.445  45.993  0.00  0.00           H  
-ATOM   3454  HG3 PRO   217      37.217  33.250  46.966  0.00  0.00           H  
-ATOM   3455  CB  PRO   217      38.525  34.447  48.077  0.00  0.00           C  
-ATOM   3456  HB2 PRO   217      39.181  35.312  47.974  0.00  0.00           H  
-ATOM   3457  HB3 PRO   217      38.957  33.463  48.258  0.00  0.00           H  
-ATOM   3458  CA  PRO   217      37.571  34.654  49.292  0.00  0.00           C  
-ATOM   3459  HA  PRO   217      37.407  33.672  49.736  0.00  0.00           H  
-ATOM   3460  C   PRO   217      38.239  35.587  50.241  0.00  0.00           C  
-ATOM   3461  O   PRO   217      38.557  35.109  51.352  0.00  0.00           O  
-ATOM   3462  N   THR   218      38.413  36.897  49.948  0.00  0.00           N  
-ATOM   3463  H   THR   218      38.247  37.225  49.007  0.00  0.00           H  
-ATOM   3464  CA  THR   218      38.983  37.942  50.782  0.00  0.00           C  
-ATOM   3465  HA  THR   218      40.036  37.685  50.906  0.00  0.00           H  
-ATOM   3466  CB  THR   218      38.859  39.300  50.027  0.00  0.00           C  
-ATOM   3467  HB  THR   218      37.823  39.542  49.786  0.00  0.00           H  
-ATOM   3468  CG2 THR   218      39.347  40.490  50.836  0.00  0.00           C  
-ATOM   3469 HG21 THR   218      38.627  40.747  51.613  0.00  0.00           H  
-ATOM   3470 HG22 THR   218      40.292  40.323  51.352  0.00  0.00           H  
-ATOM   3471 HG23 THR   218      39.435  41.322  50.138  0.00  0.00           H  
-ATOM   3472  OG1 THR   218      39.631  39.201  48.818  0.00  0.00           O  
-ATOM   3473  HG1 THR   218      40.546  39.079  49.083  0.00  0.00           H  
-ATOM   3474  C   THR   218      38.189  37.973  52.131  0.00  0.00           C  
-ATOM   3475  O   THR   218      38.725  38.304  53.215  0.00  0.00           O  
-ATOM   3476  N   LYS   219      36.817  37.797  52.021  0.00  0.00           N  
-ATOM   3477  H   LYS   219      36.433  37.764  51.088  0.00  0.00           H  
-ATOM   3478  CA  LYS   219      35.908  37.786  53.162  0.00  0.00           C  
-ATOM   3479  HA  LYS   219      36.124  38.638  53.806  0.00  0.00           H  
-ATOM   3480  CB  LYS   219      34.402  37.892  52.796  0.00  0.00           C  
-ATOM   3481  HB2 LYS   219      34.165  37.307  51.908  0.00  0.00           H  
-ATOM   3482  HB3 LYS   219      33.844  37.417  53.603  0.00  0.00           H  
-ATOM   3483  CG  LYS   219      33.939  39.302  52.691  0.00  0.00           C  
-ATOM   3484  HG2 LYS   219      34.594  39.865  52.027  0.00  0.00           H  
-ATOM   3485  HG3 LYS   219      32.927  39.161  52.313  0.00  0.00           H  
-ATOM   3486  CD  LYS   219      33.789  40.037  53.997  0.00  0.00           C  
-ATOM   3487  HD2 LYS   219      33.213  39.456  54.717  0.00  0.00           H  
-ATOM   3488  HD3 LYS   219      34.787  40.187  54.408  0.00  0.00           H  
-ATOM   3489  CE  LYS   219      33.046  41.373  53.705  0.00  0.00           C  
-ATOM   3490  HE2 LYS   219      33.568  41.954  52.944  0.00  0.00           H  
-ATOM   3491  HE3 LYS   219      32.078  41.113  53.276  0.00  0.00           H  
-ATOM   3492  NZ  LYS   219      32.749  42.223  54.840  0.00  0.00           N  
-ATOM   3493  HZ1 LYS   219      33.572  42.214  55.426  0.00  0.00           H  
-ATOM   3494  HZ2 LYS   219      32.493  43.173  54.609  0.00  0.00           H  
-ATOM   3495  HZ3 LYS   219      32.047  41.696  55.338  0.00  0.00           H  
-ATOM   3496  C   LYS   219      36.160  36.560  54.005  0.00  0.00           C  
-ATOM   3497  O   LYS   219      36.248  36.782  55.186  0.00  0.00           O  
-ATOM   3498  N   PHE   220      36.334  35.348  53.486  0.00  0.00           N  
-ATOM   3499  H   PHE   220      36.318  35.237  52.482  0.00  0.00           H  
-ATOM   3500  CA  PHE   220      36.510  34.172  54.359  0.00  0.00           C  
-ATOM   3501  HA  PHE   220      35.899  34.256  55.258  0.00  0.00           H  
-ATOM   3502  CB  PHE   220      36.144  32.952  53.582  0.00  0.00           C  
-ATOM   3503  HB2 PHE   220      36.729  32.972  52.663  0.00  0.00           H  
-ATOM   3504  HB3 PHE   220      36.406  32.123  54.240  0.00  0.00           H  
-ATOM   3505  CG  PHE   220      34.694  32.660  53.342  0.00  0.00           C  
-ATOM   3506  CD1 PHE   220      33.858  32.474  54.486  0.00  0.00           C  
-ATOM   3507  HD1 PHE   220      34.242  32.558  55.492  0.00  0.00           H  
-ATOM   3508  CE1 PHE   220      32.531  32.166  54.237  0.00  0.00           C  
-ATOM   3509  HE1 PHE   220      31.872  31.918  55.055  0.00  0.00           H  
-ATOM   3510  CZ  PHE   220      31.941  32.179  52.975  0.00  0.00           C  
-ATOM   3511  HZ  PHE   220      30.891  32.030  52.771  0.00  0.00           H  
-ATOM   3512  CE2 PHE   220      32.786  32.422  51.847  0.00  0.00           C  
-ATOM   3513  HE2 PHE   220      32.336  32.428  50.865  0.00  0.00           H  
-ATOM   3514  CD2 PHE   220      34.157  32.670  52.045  0.00  0.00           C  
-ATOM   3515  HD2 PHE   220      34.758  32.673  51.148  0.00  0.00           H  
-ATOM   3516  C   PHE   220      37.933  34.072  54.849  0.00  0.00           C  
-ATOM   3517  O   PHE   220      38.191  33.466  55.866  0.00  0.00           O  
-ATOM   3518  N   LEU   221      38.866  34.699  54.147  0.00  0.00           N  
-ATOM   3519  H   LEU   221      38.579  35.381  53.459  0.00  0.00           H  
-ATOM   3520  CA  LEU   221      40.294  34.746  54.594  0.00  0.00           C  
-ATOM   3521  HA  LEU   221      40.704  33.750  54.759  0.00  0.00           H  
-ATOM   3522  CB  LEU   221      41.062  35.362  53.380  0.00  0.00           C  
-ATOM   3523  HB2 LEU   221      40.429  36.093  52.877  0.00  0.00           H  
-ATOM   3524  HB3 LEU   221      41.919  35.940  53.725  0.00  0.00           H  
-ATOM   3525  CG  LEU   221      41.655  34.313  52.438  0.00  0.00           C  
-ATOM   3526  HG  LEU   221      40.940  33.534  52.173  0.00  0.00           H  
-ATOM   3527  CD1 LEU   221      41.888  35.045  51.094  0.00  0.00           C  
-ATOM   3528 HD11 LEU   221      40.933  35.346  50.664  0.00  0.00           H  
-ATOM   3529 HD12 LEU   221      42.592  35.855  51.285  0.00  0.00           H  
-ATOM   3530 HD13 LEU   221      42.415  34.386  50.404  0.00  0.00           H  
-ATOM   3531  CD2 LEU   221      42.917  33.753  53.090  0.00  0.00           C  
-ATOM   3532 HD21 LEU   221      43.506  33.148  52.400  0.00  0.00           H  
-ATOM   3533 HD22 LEU   221      43.642  34.501  53.411  0.00  0.00           H  
-ATOM   3534 HD23 LEU   221      42.697  33.065  53.906  0.00  0.00           H  
-ATOM   3535  C   LEU   221      40.597  35.556  55.859  0.00  0.00           C  
-ATOM   3536  O   LEU   221      41.493  35.155  56.593  0.00  0.00           O  
-ATOM   3537  N   GLU   222      39.721  36.500  56.183  0.00  0.00           N  
-ATOM   3538  H   GLU   222      39.028  36.762  55.497  0.00  0.00           H  
-ATOM   3539  CA  GLU   222      39.720  37.281  57.432  0.00  0.00           C  
-ATOM   3540  HA  GLU   222      40.734  37.634  57.620  0.00  0.00           H  
-ATOM   3541  CB  GLU   222      38.838  38.548  57.243  0.00  0.00           C  
-ATOM   3542  HB2 GLU   222      39.140  38.994  56.295  0.00  0.00           H  
-ATOM   3543  HB3 GLU   222      37.826  38.220  57.006  0.00  0.00           H  
-ATOM   3544  CG  GLU   222      38.944  39.575  58.369  0.00  0.00           C  
-ATOM   3545  HG2 GLU   222      38.503  39.209  59.296  0.00  0.00           H  
-ATOM   3546  HG3 GLU   222      40.012  39.699  58.545  0.00  0.00           H  
-ATOM   3547  CD  GLU   222      38.340  40.954  57.900  0.00  0.00           C  
-ATOM   3548  OE1 GLU   222      38.470  41.921  58.740  0.00  0.00           O  
-ATOM   3549  OE2 GLU   222      37.710  41.106  56.852  0.00  0.00           O  
-ATOM   3550  C   GLU   222      39.301  36.436  58.545  0.00  0.00           C  
-ATOM   3551  O   GLU   222      39.810  36.627  59.612  0.00  0.00           O  
-ATOM   3552  N   LEU   223      38.342  35.501  58.350  0.00  0.00           N  
-ATOM   3553  H   LEU   223      38.106  35.240  57.403  0.00  0.00           H  
-ATOM   3554  CA  LEU   223      37.824  34.611  59.441  0.00  0.00           C  
-ATOM   3555  HA  LEU   223      37.807  35.177  60.372  0.00  0.00           H  
-ATOM   3556  CB  LEU   223      36.468  34.092  58.946  0.00  0.00           C  
-ATOM   3557  HB2 LEU   223      36.570  33.564  57.998  0.00  0.00           H  
-ATOM   3558  HB3 LEU   223      36.159  33.402  59.731  0.00  0.00           H  
-ATOM   3559  CG  LEU   223      35.365  35.164  58.754  0.00  0.00           C  
-ATOM   3560  HG  LEU   223      35.612  35.955  58.045  0.00  0.00           H  
-ATOM   3561  CD1 LEU   223      34.149  34.612  58.033  0.00  0.00           C  
-ATOM   3562 HD11 LEU   223      33.165  34.978  58.325  0.00  0.00           H  
-ATOM   3563 HD12 LEU   223      34.240  34.658  56.948  0.00  0.00           H  
-ATOM   3564 HD13 LEU   223      34.051  33.563  58.314  0.00  0.00           H  
-ATOM   3565  CD2 LEU   223      35.077  35.702  60.143  0.00  0.00           C  
-ATOM   3566 HD21 LEU   223      35.020  34.888  60.866  0.00  0.00           H  
-ATOM   3567 HD22 LEU   223      35.786  36.452  60.494  0.00  0.00           H  
-ATOM   3568 HD23 LEU   223      34.139  36.236  59.989  0.00  0.00           H  
-ATOM   3569  C   LEU   223      38.732  33.411  59.609  0.00  0.00           C  
-ATOM   3570  O   LEU   223      39.027  33.012  60.751  0.00  0.00           O  
-ATOM   3571  N   ILE   224      39.264  32.785  58.531  0.00  0.00           N  
-ATOM   3572  H   ILE   224      38.930  33.092  57.628  0.00  0.00           H  
-ATOM   3573  CA  ILE   224      40.269  31.718  58.510  0.00  0.00           C  
-ATOM   3574  HA  ILE   224      39.922  30.889  59.127  0.00  0.00           H  
-ATOM   3575  CB  ILE   224      40.517  31.362  57.001  0.00  0.00           C  
-ATOM   3576  HB  ILE   224      40.685  32.315  56.499  0.00  0.00           H  
-ATOM   3577  CG2 ILE   224      41.810  30.573  56.742  0.00  0.00           C  
-ATOM   3578 HG21 ILE   224      42.040  30.601  55.677  0.00  0.00           H  
-ATOM   3579 HG22 ILE   224      42.650  31.019  57.275  0.00  0.00           H  
-ATOM   3580 HG23 ILE   224      41.699  29.515  56.978  0.00  0.00           H  
-ATOM   3581  CG1 ILE   224      39.241  30.642  56.517  0.00  0.00           C  
-ATOM   3582 HG12 ILE   224      39.037  29.775  57.146  0.00  0.00           H  
-ATOM   3583 HG13 ILE   224      38.398  31.306  56.710  0.00  0.00           H  
-ATOM   3584  CD1 ILE   224      39.276  30.369  55.046  0.00  0.00           C  
-ATOM   3585 HD11 ILE   224      38.247  30.344  54.688  0.00  0.00           H  
-ATOM   3586 HD12 ILE   224      39.846  31.071  54.438  0.00  0.00           H  
-ATOM   3587 HD13 ILE   224      39.809  29.453  54.790  0.00  0.00           H  
-ATOM   3588  C   ILE   224      41.479  32.196  59.314  0.00  0.00           C  
-ATOM   3589  O   ILE   224      42.006  31.530  60.213  0.00  0.00           O  
-ATOM   3590  N   GLY   225      41.971  33.425  59.034  0.00  0.00           N  
-ATOM   3591  H   GLY   225      41.341  34.008  58.500  0.00  0.00           H  
-ATOM   3592  CA  GLY   225      43.235  34.054  59.556  0.00  0.00           C  
-ATOM   3593  HA2 GLY   225      43.111  35.100  59.275  0.00  0.00           H  
-ATOM   3594  HA3 GLY   225      43.369  33.963  60.634  0.00  0.00           H  
-ATOM   3595  C   GLY   225      44.564  33.736  58.956  0.00  0.00           C  
-ATOM   3596  O   GLY   225      44.711  32.810  58.148  0.00  0.00           O  
-ATOM   3597  N   ILE   226      45.603  34.448  59.316  0.00  0.00           N  
-ATOM   3598  H   ILE   226      45.399  35.281  59.850  0.00  0.00           H  
-ATOM   3599  CA  ILE   226      46.882  34.546  58.575  0.00  0.00           C  
-ATOM   3600  HA  ILE   226      46.614  34.631  57.521  0.00  0.00           H  
-ATOM   3601  CB  ILE   226      47.708  35.781  58.953  0.00  0.00           C  
-ATOM   3602  HB  ILE   226      47.036  36.623  59.116  0.00  0.00           H  
-ATOM   3603  CG2 ILE   226      48.461  35.563  60.257  0.00  0.00           C  
-ATOM   3604 HG21 ILE   226      47.675  35.137  60.881  0.00  0.00           H  
-ATOM   3605 HG22 ILE   226      49.395  35.000  60.251  0.00  0.00           H  
-ATOM   3606 HG23 ILE   226      48.803  36.494  60.710  0.00  0.00           H  
-ATOM   3607  CG1 ILE   226      48.690  36.087  57.819  0.00  0.00           C  
-ATOM   3608 HG12 ILE   226      49.557  35.427  57.833  0.00  0.00           H  
-ATOM   3609 HG13 ILE   226      48.108  36.068  56.897  0.00  0.00           H  
-ATOM   3610  CD1 ILE   226      49.423  37.463  57.973  0.00  0.00           C  
-ATOM   3611 HD11 ILE   226      50.191  37.369  58.740  0.00  0.00           H  
-ATOM   3612 HD12 ILE   226      49.863  37.659  56.996  0.00  0.00           H  
-ATOM   3613 HD13 ILE   226      48.786  38.290  58.285  0.00  0.00           H  
-ATOM   3614  C   ILE   226      47.737  33.298  58.603  0.00  0.00           C  
-ATOM   3615  O   ILE   226      48.466  32.996  57.653  0.00  0.00           O  
-ATOM   3616  N   ALA   227      47.642  32.441  59.652  0.00  0.00           N  
-ATOM   3617  H   ALA   227      47.018  32.665  60.414  0.00  0.00           H  
-ATOM   3618  CA  ALA   227      48.621  31.409  60.014  0.00  0.00           C  
-ATOM   3619  HA  ALA   227      49.411  31.500  59.269  0.00  0.00           H  
-ATOM   3620  CB  ALA   227      49.246  31.794  61.448  0.00  0.00           C  
-ATOM   3621  HB1 ALA   227      49.806  30.916  61.773  0.00  0.00           H  
-ATOM   3622  HB2 ALA   227      49.937  32.628  61.330  0.00  0.00           H  
-ATOM   3623  HB3 ALA   227      48.451  32.043  62.151  0.00  0.00           H  
-ATOM   3624  C   ALA   227      48.082  29.922  59.892  0.00  0.00           C  
-ATOM   3625  O   ALA   227      48.821  29.040  60.249  0.00  0.00           O  
-ATOM   3626  N   GLN   228      46.955  29.676  59.260  0.00  0.00           N  
-ATOM   3627  H   GLN   228      46.333  30.450  59.075  0.00  0.00           H  
-ATOM   3628  CA  GLN   228      46.373  28.305  59.117  0.00  0.00           C  
-ATOM   3629  HA  GLN   228      46.398  27.771  60.068  0.00  0.00           H  
-ATOM   3630  CB  GLN   228      44.951  28.455  58.589  0.00  0.00           C  
-ATOM   3631  HB2 GLN   228      44.970  28.846  57.572  0.00  0.00           H  
-ATOM   3632  HB3 GLN   228      44.523  27.453  58.550  0.00  0.00           H  
-ATOM   3633  CG  GLN   228      44.140  29.316  59.541  0.00  0.00           C  
-ATOM   3634  HG2 GLN   228      44.432  30.342  59.319  0.00  0.00           H  
-ATOM   3635  HG3 GLN   228      43.075  29.212  59.335  0.00  0.00           H  
-ATOM   3636  CD  GLN   228      44.219  29.025  61.040  0.00  0.00           C  
-ATOM   3637  OE1 GLN   228      44.629  28.012  61.581  0.00  0.00           O  
-ATOM   3638  NE2 GLN   228      43.581  29.827  61.806  0.00  0.00           N  
-ATOM   3639 HE21 GLN   228      43.087  30.567  61.327  0.00  0.00           H  
-ATOM   3640 HE22 GLN   228      43.376  29.543  62.753  0.00  0.00           H  
-ATOM   3641  C   GLN   228      47.027  27.324  58.121  0.00  0.00           C  
-ATOM   3642  O   GLN   228      47.247  26.124  58.351  0.00  0.00           O  
-ATOM   3643  N   GLY   229      47.522  27.854  56.979  0.00  0.00           N  
-ATOM   3644  H   GLY   229      47.447  28.835  56.751  0.00  0.00           H  
-ATOM   3645  CA  GLY   229      48.553  27.199  56.119  0.00  0.00           C  
-ATOM   3646  HA2 GLY   229      48.972  27.914  55.411  0.00  0.00           H  
-ATOM   3647  HA3 GLY   229      49.284  26.711  56.765  0.00  0.00           H  
-ATOM   3648  C   GLY   229      47.902  26.022  55.338  0.00  0.00           C  
-ATOM   3649  O   GLY   229      46.743  26.092  54.909  0.00  0.00           O  
-ATOM   3650  N   GLN   230      48.583  24.881  55.328  0.00  0.00           N  
-ATOM   3651  H   GLN   230      49.465  24.830  55.819  0.00  0.00           H  
-ATOM   3652  CA  GLN   230      47.993  23.581  54.841  0.00  0.00           C  
-ATOM   3653  HA  GLN   230      47.741  23.614  53.781  0.00  0.00           H  
-ATOM   3654  CB  GLN   230      48.935  22.438  55.049  0.00  0.00           C  
-ATOM   3655  HB2 GLN   230      49.128  22.161  56.085  0.00  0.00           H  
-ATOM   3656  HB3 GLN   230      48.682  21.465  54.627  0.00  0.00           H  
-ATOM   3657  CG  GLN   230      50.298  22.819  54.375  0.00  0.00           C  
-ATOM   3658  HG2 GLN   230      50.214  23.166  53.346  0.00  0.00           H  
-ATOM   3659  HG3 GLN   230      50.809  23.606  54.929  0.00  0.00           H  
-ATOM   3660  CD  GLN   230      51.264  21.651  54.317  0.00  0.00           C  
-ATOM   3661  OE1 GLN   230      50.910  20.543  54.087  0.00  0.00           O  
-ATOM   3662  NE2 GLN   230      52.558  21.890  54.519  0.00  0.00           N  
-ATOM   3663 HE21 GLN   230      52.957  22.777  54.789  0.00  0.00           H  
-ATOM   3664 HE22 GLN   230      53.152  21.087  54.365  0.00  0.00           H  
-ATOM   3665  C   GLN   230      46.674  23.113  55.518  0.00  0.00           C  
-ATOM   3666  O   GLN   230      45.949  22.259  55.082  0.00  0.00           O  
-ATOM   3667  N   MET   231      46.287  23.746  56.606  0.00  0.00           N  
-ATOM   3668  H   MET   231      46.872  24.541  56.817  0.00  0.00           H  
-ATOM   3669  CA  MET   231      44.877  23.583  57.162  0.00  0.00           C  
-ATOM   3670  HA  MET   231      44.521  22.557  57.063  0.00  0.00           H  
-ATOM   3671  CB  MET   231      44.854  23.834  58.684  0.00  0.00           C  
-ATOM   3672  HB2 MET   231      45.052  24.889  58.870  0.00  0.00           H  
-ATOM   3673  HB3 MET   231      43.864  23.621  59.086  0.00  0.00           H  
-ATOM   3674  CG  MET   231      45.800  22.922  59.478  0.00  0.00           C  
-ATOM   3675  HG2 MET   231      45.359  21.947  59.271  0.00  0.00           H  
-ATOM   3676  HG3 MET   231      46.770  22.846  58.987  0.00  0.00           H  
-ATOM   3677  SD  MET   231      46.184  23.114  61.261  0.00  0.00           S  
-ATOM   3678  CE  MET   231      46.917  24.751  61.135  0.00  0.00           C  
-ATOM   3679  HE1 MET   231      47.794  24.690  60.490  0.00  0.00           H  
-ATOM   3680  HE2 MET   231      46.196  25.440  60.694  0.00  0.00           H  
-ATOM   3681  HE3 MET   231      47.381  25.030  62.081  0.00  0.00           H  
-ATOM   3682  C   MET   231      43.862  24.544  56.579  0.00  0.00           C  
-ATOM   3683  O   MET   231      42.751  24.701  57.184  0.00  0.00           O  
-ATOM   3684  N   THR   232      44.124  25.215  55.458  0.00  0.00           N  
-ATOM   3685  H   THR   232      45.004  25.185  54.962  0.00  0.00           H  
-ATOM   3686  CA  THR   232      43.157  26.284  54.994  0.00  0.00           C  
-ATOM   3687  HA  THR   232      43.148  27.010  55.808  0.00  0.00           H  
-ATOM   3688  CB  THR   232      43.753  26.947  53.694  0.00  0.00           C  
-ATOM   3689  HB  THR   232      44.255  26.218  53.058  0.00  0.00           H  
-ATOM   3690  CG2 THR   232      42.836  27.730  52.723  0.00  0.00           C  
-ATOM   3691 HG21 THR   232      41.950  27.182  52.403  0.00  0.00           H  
-ATOM   3692 HG22 THR   232      42.487  28.685  53.115  0.00  0.00           H  
-ATOM   3693 HG23 THR   232      43.367  27.998  51.809  0.00  0.00           H  
-ATOM   3694  OG1 THR   232      44.722  27.824  53.993  0.00  0.00           O  
-ATOM   3695  HG1 THR   232      45.587  27.407  54.010  0.00  0.00           H  
-ATOM   3696  C   THR   232      41.767  25.660  54.781  0.00  0.00           C  
-ATOM   3697  O   THR   232      40.746  26.370  55.073  0.00  0.00           O  
-ATOM   3698  N   VAL   233      41.689  24.453  54.172  0.00  0.00           N  
-ATOM   3699  H   VAL   233      42.520  23.890  54.060  0.00  0.00           H  
-ATOM   3700  CA  VAL   233      40.391  23.814  53.954  0.00  0.00           C  
-ATOM   3701  HA  VAL   233      39.740  24.478  53.384  0.00  0.00           H  
-ATOM   3702  CB  VAL   233      40.495  22.616  53.080  0.00  0.00           C  
-ATOM   3703  HB  VAL   233      41.209  21.848  53.378  0.00  0.00           H  
-ATOM   3704  CG1 VAL   233      39.147  21.928  52.817  0.00  0.00           C  
-ATOM   3705 HG11 VAL   233      38.831  21.410  53.723  0.00  0.00           H  
-ATOM   3706 HG12 VAL   233      38.415  22.665  52.484  0.00  0.00           H  
-ATOM   3707 HG13 VAL   233      39.310  21.262  51.970  0.00  0.00           H  
-ATOM   3708  CG2 VAL   233      41.022  23.125  51.743  0.00  0.00           C  
-ATOM   3709 HG21 VAL   233      42.064  23.416  51.874  0.00  0.00           H  
-ATOM   3710 HG22 VAL   233      41.075  22.338  50.991  0.00  0.00           H  
-ATOM   3711 HG23 VAL   233      40.490  23.964  51.295  0.00  0.00           H  
-ATOM   3712  C   VAL   233      39.701  23.353  55.259  0.00  0.00           C  
-ATOM   3713  O   VAL   233      38.535  23.612  55.316  0.00  0.00           O  
-ATOM   3714  N   LEU   234      40.399  22.869  56.270  0.00  0.00           N  
-ATOM   3715  H   LEU   234      41.361  22.652  56.053  0.00  0.00           H  
-ATOM   3716  CA  LEU   234      39.883  22.410  57.534  0.00  0.00           C  
-ATOM   3717  HA  LEU   234      39.125  21.631  57.456  0.00  0.00           H  
-ATOM   3718  CB  LEU   234      41.062  21.874  58.422  0.00  0.00           C  
-ATOM   3719  HB2 LEU   234      41.412  20.953  57.956  0.00  0.00           H  
-ATOM   3720  HB3 LEU   234      41.793  22.677  58.322  0.00  0.00           H  
-ATOM   3721  CG  LEU   234      40.782  21.607  59.833  0.00  0.00           C  
-ATOM   3722  HG  LEU   234      40.441  22.543  60.274  0.00  0.00           H  
-ATOM   3723  CD1 LEU   234      39.841  20.442  60.028  0.00  0.00           C  
-ATOM   3724 HD11 LEU   234      38.828  20.743  59.764  0.00  0.00           H  
-ATOM   3725 HD12 LEU   234      39.984  19.504  59.491  0.00  0.00           H  
-ATOM   3726 HD13 LEU   234      39.790  20.294  61.107  0.00  0.00           H  
-ATOM   3727  CD2 LEU   234      42.111  21.171  60.401  0.00  0.00           C  
-ATOM   3728 HD21 LEU   234      42.014  20.925  61.459  0.00  0.00           H  
-ATOM   3729 HD22 LEU   234      42.387  20.282  59.835  0.00  0.00           H  
-ATOM   3730 HD23 LEU   234      42.780  22.002  60.179  0.00  0.00           H  
-ATOM   3731  C   LEU   234      39.272  23.701  58.139  0.00  0.00           C  
-ATOM   3732  O   LEU   234      38.101  23.591  58.513  0.00  0.00           O  
-ATOM   3733  N   ARG   235      39.926  24.885  58.149  0.00  0.00           N  
-ATOM   3734  H   ARG   235      40.801  24.859  57.645  0.00  0.00           H  
-ATOM   3735  CA  ARG   235      39.479  26.064  58.914  0.00  0.00           C  
-ATOM   3736  HA  ARG   235      38.941  25.770  59.816  0.00  0.00           H  
-ATOM   3737  CB  ARG   235      40.690  26.864  59.268  0.00  0.00           C  
-ATOM   3738  HB2 ARG   235      41.037  27.277  58.321  0.00  0.00           H  
-ATOM   3739  HB3 ARG   235      40.351  27.716  59.857  0.00  0.00           H  
-ATOM   3740  CG  ARG   235      41.803  26.229  60.116  0.00  0.00           C  
-ATOM   3741  HG2 ARG   235      41.984  25.198  59.814  0.00  0.00           H  
-ATOM   3742  HG3 ARG   235      42.716  26.755  59.834  0.00  0.00           H  
-ATOM   3743  CD  ARG   235      41.630  26.354  61.606  0.00  0.00           C  
-ATOM   3744  HD2 ARG   235      41.735  27.434  61.714  0.00  0.00           H  
-ATOM   3745  HD3 ARG   235      40.636  25.987  61.859  0.00  0.00           H  
-ATOM   3746  NE  ARG   235      42.669  25.584  62.311  0.00  0.00           N  
-ATOM   3747  HE  ARG   235      43.537  26.053  62.526  0.00  0.00           H  
-ATOM   3748  CZ  ARG   235      42.659  24.369  62.730  0.00  0.00           C  
-ATOM   3749  NH1 ARG   235      41.627  23.576  62.511  0.00  0.00           N  
-ATOM   3750 HH11 ARG   235      40.744  23.973  62.222  0.00  0.00           H  
-ATOM   3751 HH12 ARG   235      41.639  22.605  62.788  0.00  0.00           H  
-ATOM   3752  NH2 ARG   235      43.713  24.009  63.420  0.00  0.00           N  
-ATOM   3753 HH21 ARG   235      44.284  24.808  63.652  0.00  0.00           H  
-ATOM   3754 HH22 ARG   235      43.849  23.086  63.806  0.00  0.00           H  
-ATOM   3755  C   ARG   235      38.368  26.907  58.186  0.00  0.00           C  
-ATOM   3756  O   ARG   235      37.515  27.482  58.844  0.00  0.00           O  
-ATOM   3757  N   LEU   236      38.182  26.729  56.831  0.00  0.00           N  
-ATOM   3758  H   LEU   236      38.907  26.362  56.230  0.00  0.00           H  
-ATOM   3759  CA  LEU   236      37.010  27.022  56.037  0.00  0.00           C  
-ATOM   3760  HA  LEU   236      36.712  28.034  56.311  0.00  0.00           H  
-ATOM   3761  CB  LEU   236      37.412  27.126  54.572  0.00  0.00           C  
-ATOM   3762  HB2 LEU   236      38.264  27.791  54.427  0.00  0.00           H  
-ATOM   3763  HB3 LEU   236      37.777  26.162  54.218  0.00  0.00           H  
-ATOM   3764  CG  LEU   236      36.217  27.498  53.573  0.00  0.00           C  
-ATOM   3765  HG  LEU   236      35.387  26.796  53.658  0.00  0.00           H  
-ATOM   3766  CD1 LEU   236      35.615  28.821  53.957  0.00  0.00           C  
-ATOM   3767 HD11 LEU   236      35.153  28.678  54.934  0.00  0.00           H  
-ATOM   3768 HD12 LEU   236      36.298  29.670  53.985  0.00  0.00           H  
-ATOM   3769 HD13 LEU   236      34.842  29.087  53.236  0.00  0.00           H  
-ATOM   3770  CD2 LEU   236      36.690  27.554  52.130  0.00  0.00           C  
-ATOM   3771 HD21 LEU   236      36.788  26.568  51.677  0.00  0.00           H  
-ATOM   3772 HD22 LEU   236      35.947  28.097  51.545  0.00  0.00           H  
-ATOM   3773 HD23 LEU   236      37.640  28.088  52.161  0.00  0.00           H  
-ATOM   3774  C   LEU   236      35.845  26.035  56.218  0.00  0.00           C  
-ATOM   3775  O   LEU   236      34.689  26.444  56.393  0.00  0.00           O  
-ATOM   3776  N   THR   237      36.175  24.782  56.376  0.00  0.00           N  
-ATOM   3777  H   THR   237      37.156  24.554  56.304  0.00  0.00           H  
-ATOM   3778  CA  THR   237      35.140  23.734  56.660  0.00  0.00           C  
-ATOM   3779  HA  THR   237      34.309  23.791  55.957  0.00  0.00           H  
-ATOM   3780  CB  THR   237      35.774  22.302  56.686  0.00  0.00           C  
-ATOM   3781  HB  THR   237      36.552  22.226  57.445  0.00  0.00           H  
-ATOM   3782  CG2 THR   237      34.649  21.233  56.910  0.00  0.00           C  
-ATOM   3783 HG21 THR   237      34.999  20.245  57.210  0.00  0.00           H  
-ATOM   3784 HG22 THR   237      33.917  21.541  57.656  0.00  0.00           H  
-ATOM   3785 HG23 THR   237      34.141  21.117  55.952  0.00  0.00           H  
-ATOM   3786  OG1 THR   237      36.365  22.029  55.472  0.00  0.00           O  
-ATOM   3787  HG1 THR   237      37.008  22.720  55.296  0.00  0.00           H  
-ATOM   3788  C   THR   237      34.566  24.032  58.069  0.00  0.00           C  
-ATOM   3789  O   THR   237      33.390  24.240  58.126  0.00  0.00           O  
-ATOM   3790  N   GLU   238      35.438  24.183  59.084  0.00  0.00           N  
-ATOM   3791  H   GLU   238      36.421  24.067  58.886  0.00  0.00           H  
-ATOM   3792  CA  GLU   238      35.081  24.543  60.435  0.00  0.00           C  
-ATOM   3793  HA  GLU   238      34.596  23.642  60.811  0.00  0.00           H  
-ATOM   3794  CB  GLU   238      36.443  24.618  61.289  0.00  0.00           C  
-ATOM   3795  HB2 GLU   238      37.132  25.278  60.763  0.00  0.00           H  
-ATOM   3796  HB3 GLU   238      36.200  25.086  62.243  0.00  0.00           H  
-ATOM   3797  CG  GLU   238      37.110  23.241  61.564  0.00  0.00           C  
-ATOM   3798  HG2 GLU   238      36.356  22.549  61.939  0.00  0.00           H  
-ATOM   3799  HG3 GLU   238      37.560  22.719  60.719  0.00  0.00           H  
-ATOM   3800  CD  GLU   238      38.331  23.330  62.491  0.00  0.00           C  
-ATOM   3801  OE1 GLU   238      38.666  22.315  63.146  0.00  0.00           O  
-ATOM   3802  OE2 GLU   238      38.921  24.400  62.613  0.00  0.00           O  
-ATOM   3803  C   GLU   238      34.108  25.718  60.627  0.00  0.00           C  
-ATOM   3804  O   GLU   238      33.023  25.547  61.262  0.00  0.00           O  
-ATOM   3805  N   LEU   239      34.385  26.824  59.985  0.00  0.00           N  
-ATOM   3806  H   LEU   239      35.195  26.834  59.382  0.00  0.00           H  
-ATOM   3807  CA  LEU   239      33.593  28.019  60.039  0.00  0.00           C  
-ATOM   3808  HA  LEU   239      33.442  28.220  61.099  0.00  0.00           H  
-ATOM   3809  CB  LEU   239      34.377  29.219  59.447  0.00  0.00           C  
-ATOM   3810  HB2 LEU   239      34.062  30.115  59.981  0.00  0.00           H  
-ATOM   3811  HB3 LEU   239      35.377  29.104  59.866  0.00  0.00           H  
-ATOM   3812  CG  LEU   239      34.467  29.530  57.887  0.00  0.00           C  
-ATOM   3813  HG  LEU   239      34.632  28.570  57.396  0.00  0.00           H  
-ATOM   3814  CD1 LEU   239      33.275  30.264  57.281  0.00  0.00           C  
-ATOM   3815 HD11 LEU   239      33.444  30.398  56.212  0.00  0.00           H  
-ATOM   3816 HD12 LEU   239      32.426  29.597  57.427  0.00  0.00           H  
-ATOM   3817 HD13 LEU   239      33.120  31.246  57.729  0.00  0.00           H  
-ATOM   3818  CD2 LEU   239      35.718  30.367  57.617  0.00  0.00           C  
-ATOM   3819 HD21 LEU   239      35.495  31.398  57.892  0.00  0.00           H  
-ATOM   3820 HD22 LEU   239      36.622  29.949  58.061  0.00  0.00           H  
-ATOM   3821 HD23 LEU   239      35.818  30.378  56.532  0.00  0.00           H  
-ATOM   3822  C   LEU   239      32.275  27.811  59.364  0.00  0.00           C  
-ATOM   3823  O   LEU   239      31.260  28.277  59.864  0.00  0.00           O  
-ATOM   3824  N   LEU   240      32.251  27.044  58.281  0.00  0.00           N  
-ATOM   3825  H   LEU   240      33.119  26.706  57.890  0.00  0.00           H  
-ATOM   3826  CA  LEU   240      30.938  26.748  57.621  0.00  0.00           C  
-ATOM   3827  HA  LEU   240      30.496  27.740  57.528  0.00  0.00           H  
-ATOM   3828  CB  LEU   240      31.163  26.235  56.218  0.00  0.00           C  
-ATOM   3829  HB2 LEU   240      31.819  25.364  56.235  0.00  0.00           H  
-ATOM   3830  HB3 LEU   240      30.232  25.836  55.814  0.00  0.00           H  
-ATOM   3831  CG  LEU   240      31.781  27.233  55.172  0.00  0.00           C  
-ATOM   3832  HG  LEU   240      32.663  27.718  55.591  0.00  0.00           H  
-ATOM   3833  CD1 LEU   240      32.054  26.481  53.893  0.00  0.00           C  
-ATOM   3834 HD11 LEU   240      31.261  25.783  53.625  0.00  0.00           H  
-ATOM   3835 HD12 LEU   240      32.240  27.192  53.088  0.00  0.00           H  
-ATOM   3836 HD13 LEU   240      32.924  25.887  54.174  0.00  0.00           H  
-ATOM   3837  CD2 LEU   240      30.689  28.231  54.934  0.00  0.00           C  
-ATOM   3838 HD21 LEU   240      30.973  28.944  54.160  0.00  0.00           H  
-ATOM   3839 HD22 LEU   240      29.763  27.753  54.616  0.00  0.00           H  
-ATOM   3840 HD23 LEU   240      30.513  28.893  55.782  0.00  0.00           H  
-ATOM   3841  C   LEU   240      30.055  25.872  58.521  0.00  0.00           C  
-ATOM   3842  O   LEU   240      28.845  26.108  58.785  0.00  0.00           O  
-ATOM   3843  N   GLU   241      30.621  24.808  59.122  0.00  0.00           N  
-ATOM   3844  H   GLU   241      31.564  24.516  58.907  0.00  0.00           H  
-ATOM   3845  CA  GLU   241      29.921  23.929  59.989  0.00  0.00           C  
-ATOM   3846  HA  GLU   241      28.964  23.702  59.519  0.00  0.00           H  
-ATOM   3847  CB  GLU   241      30.804  22.674  60.216  0.00  0.00           C  
-ATOM   3848  HB2 GLU   241      31.750  22.954  60.680  0.00  0.00           H  
-ATOM   3849  HB3 GLU   241      30.221  22.115  60.948  0.00  0.00           H  
-ATOM   3850  CG  GLU   241      30.876  21.943  58.840  0.00  0.00           C  
-ATOM   3851  HG2 GLU   241      29.855  21.988  58.461  0.00  0.00           H  
-ATOM   3852  HG3 GLU   241      31.584  22.434  58.172  0.00  0.00           H  
-ATOM   3853  CD  GLU   241      31.406  20.480  59.054  0.00  0.00           C  
-ATOM   3854  OE1 GLU   241      32.324  20.196  59.862  0.00  0.00           O  
-ATOM   3855  OE2 GLU   241      30.872  19.447  58.478  0.00  0.00           O  
-ATOM   3856  C   GLU   241      29.655  24.593  61.413  0.00  0.00           C  
-ATOM   3857  O   GLU   241      28.783  24.118  62.227  0.00  0.00           O  
-ATOM   3858  N   ARG   242      30.449  25.564  61.831  0.00  0.00           N  
-ATOM   3859  H   ARG   242      31.237  25.754  61.229  0.00  0.00           H  
-ATOM   3860  CA  ARG   242      30.245  26.400  63.077  0.00  0.00           C  
-ATOM   3861  HA  ARG   242      30.005  25.682  63.861  0.00  0.00           H  
-ATOM   3862  CB  ARG   242      31.526  27.117  63.462  0.00  0.00           C  
-ATOM   3863  HB2 ARG   242      32.385  26.462  63.317  0.00  0.00           H  
-ATOM   3864  HB3 ARG   242      31.705  27.932  62.760  0.00  0.00           H  
-ATOM   3865  CG  ARG   242      31.614  27.573  64.955  0.00  0.00           C  
-ATOM   3866  HG2 ARG   242      30.882  28.369  65.097  0.00  0.00           H  
-ATOM   3867  HG3 ARG   242      31.233  26.758  65.571  0.00  0.00           H  
-ATOM   3868  CD  ARG   242      33.004  27.943  65.362  0.00  0.00           C  
-ATOM   3869  HD2 ARG   242      32.939  28.347  66.372  0.00  0.00           H  
-ATOM   3870  HD3 ARG   242      33.687  27.102  65.487  0.00  0.00           H  
-ATOM   3871  NE  ARG   242      33.449  29.018  64.422  0.00  0.00           N  
-ATOM   3872  HE  ARG   242      33.083  29.958  64.398  0.00  0.00           H  
-ATOM   3873  CZ  ARG   242      34.485  28.960  63.554  0.00  0.00           C  
-ATOM   3874  NH1 ARG   242      35.060  27.807  63.449  0.00  0.00           N  
-ATOM   3875 HH11 ARG   242      34.767  27.047  64.046  0.00  0.00           H  
-ATOM   3876 HH12 ARG   242      35.899  27.702  62.896  0.00  0.00           H  
-ATOM   3877  NH2 ARG   242      34.957  30.052  63.085  0.00  0.00           N  
-ATOM   3878 HH21 ARG   242      34.415  30.895  63.203  0.00  0.00           H  
-ATOM   3879 HH22 ARG   242      35.852  30.043  62.617  0.00  0.00           H  
-ATOM   3880  C   ARG   242      29.136  27.436  62.937  0.00  0.00           C  
-ATOM   3881  O   ARG   242      28.683  27.991  63.914  0.00  0.00           O  
-ATOM   3882  N   GLY   243      28.605  27.594  61.697  0.00  0.00           N  
-ATOM   3883  H   GLY   243      29.206  27.268  60.954  0.00  0.00           H  
-ATOM   3884  CA  GLY   243      27.500  28.480  61.314  0.00  0.00           C  
-ATOM   3885  HA2 GLY   243      26.716  28.004  60.724  0.00  0.00           H  
-ATOM   3886  HA3 GLY   243      26.933  28.735  62.210  0.00  0.00           H  
-ATOM   3887  C   GLY   243      27.950  29.881  60.869  0.00  0.00           C  
-ATOM   3888  O   GLY   243      27.066  30.701  60.653  0.00  0.00           O  
-ATOM   3889  N   GLU   244      29.199  30.137  60.665  0.00  0.00           N  
-ATOM   3890  H   GLU   244      29.725  29.283  60.547  0.00  0.00           H  
-ATOM   3891  CA  GLU   244      29.698  31.466  60.194  0.00  0.00           C  
-ATOM   3892  HA  GLU   244      29.194  32.263  60.740  0.00  0.00           H  
-ATOM   3893  CB  GLU   244      31.265  31.415  60.523  0.00  0.00           C  
-ATOM   3894  HB2 GLU   244      31.328  31.082  61.559  0.00  0.00           H  
-ATOM   3895  HB3 GLU   244      31.706  30.682  59.847  0.00  0.00           H  
-ATOM   3896  CG  GLU   244      31.996  32.685  60.349  0.00  0.00           C  
-ATOM   3897  HG2 GLU   244      33.069  32.497  60.396  0.00  0.00           H  
-ATOM   3898  HG3 GLU   244      31.958  32.998  59.305  0.00  0.00           H  
-ATOM   3899  CD  GLU   244      31.498  33.903  61.172  0.00  0.00           C  
-ATOM   3900  OE1 GLU   244      32.080  34.219  62.268  0.00  0.00           O  
-ATOM   3901  OE2 GLU   244      30.388  34.417  60.888  0.00  0.00           O  
-ATOM   3902  C   GLU   244      29.364  31.569  58.671  0.00  0.00           C  
-ATOM   3903  O   GLU   244      29.265  30.560  57.977  0.00  0.00           O  
-ATOM   3904  N   ARG   245      29.250  32.805  58.151  0.00  0.00           N  
-ATOM   3905  H   ARG   245      29.514  33.568  58.759  0.00  0.00           H  
-ATOM   3906  CA  ARG   245      28.882  33.136  56.806  0.00  0.00           C  
-ATOM   3907  HA  ARG   245      29.308  32.382  56.144  0.00  0.00           H  
-ATOM   3908  CB  ARG   245      27.306  33.098  56.694  0.00  0.00           C  
-ATOM   3909  HB2 ARG   245      26.914  33.835  57.394  0.00  0.00           H  
-ATOM   3910  HB3 ARG   245      26.926  33.421  55.725  0.00  0.00           H  
-ATOM   3911  CG  ARG   245      26.545  31.766  56.879  0.00  0.00           C  
-ATOM   3912  HG2 ARG   245      26.740  31.469  57.909  0.00  0.00           H  
-ATOM   3913  HG3 ARG   245      25.499  32.041  56.744  0.00  0.00           H  
-ATOM   3914  CD  ARG   245      26.808  30.640  55.916  0.00  0.00           C  
-ATOM   3915  HD2 ARG   245      26.408  31.025  54.978  0.00  0.00           H  
-ATOM   3916  HD3 ARG   245      27.838  30.391  55.662  0.00  0.00           H  
-ATOM   3917  NE  ARG   245      26.134  29.326  56.231  0.00  0.00           N  
-ATOM   3918  HE  ARG   245      25.151  29.151  56.078  0.00  0.00           H  
-ATOM   3919  CZ  ARG   245      26.593  28.302  56.934  0.00  0.00           C  
-ATOM   3920  NH1 ARG   245      27.713  28.276  57.573  0.00  0.00           N  
-ATOM   3921 HH11 ARG   245      28.273  29.116  57.617  0.00  0.00           H  
-ATOM   3922 HH12 ARG   245      28.006  27.404  57.990  0.00  0.00           H  
-ATOM   3923  NH2 ARG   245      25.892  27.216  56.898  0.00  0.00           N  
-ATOM   3924 HH21 ARG   245      25.248  27.096  56.129  0.00  0.00           H  
-ATOM   3925 HH22 ARG   245      26.144  26.351  57.354  0.00  0.00           H  
-ATOM   3926  C   ARG   245      29.434  34.443  56.231  0.00  0.00           C  
-ATOM   3927  O   ARG   245      30.409  34.984  56.840  0.00  0.00           O  
-ATOM   3928  N   LEU   246      28.943  34.943  55.129  0.00  0.00           N  
-ATOM   3929  H   LEU   246      28.137  34.419  54.822  0.00  0.00           H  
-ATOM   3930  CA  LEU   246      29.168  36.253  54.482  0.00  0.00           C  
-ATOM   3931  HA  LEU   246      30.190  36.624  54.546  0.00  0.00           H  
-ATOM   3932  CB  LEU   246      28.964  36.201  52.946  0.00  0.00           C  
-ATOM   3933  HB2 LEU   246      27.972  35.763  52.834  0.00  0.00           H  
-ATOM   3934  HB3 LEU   246      28.906  37.200  52.515  0.00  0.00           H  
-ATOM   3935  CG  LEU   246      30.048  35.432  52.180  0.00  0.00           C  
-ATOM   3936  HG  LEU   246      30.449  34.555  52.687  0.00  0.00           H  
-ATOM   3937  CD1 LEU   246      29.649  35.001  50.766  0.00  0.00           C  
-ATOM   3938 HD11 LEU   246      28.926  34.187  50.828  0.00  0.00           H  
-ATOM   3939 HD12 LEU   246      29.171  35.804  50.205  0.00  0.00           H  
-ATOM   3940 HD13 LEU   246      30.530  34.672  50.214  0.00  0.00           H  
-ATOM   3941  CD2 LEU   246      31.150  36.390  51.833  0.00  0.00           C  
-ATOM   3942 HD21 LEU   246      30.816  37.281  51.301  0.00  0.00           H  
-ATOM   3943 HD22 LEU   246      31.496  36.715  52.814  0.00  0.00           H  
-ATOM   3944 HD23 LEU   246      31.935  35.906  51.252  0.00  0.00           H  
-ATOM   3945  C   LEU   246      28.140  37.274  55.010  0.00  0.00           C  
-ATOM   3946  O   LEU   246      27.012  36.818  55.323  0.00  0.00           O  
-ATOM   3947  N   PRO   247      28.508  38.594  55.120  0.00  0.00           N  
-ATOM   3948  CD  PRO   247      29.694  39.136  54.566  0.00  0.00           C  
-ATOM   3949  HD2 PRO   247      29.862  38.879  53.521  0.00  0.00           H  
-ATOM   3950  HD3 PRO   247      30.639  38.842  55.025  0.00  0.00           H  
-ATOM   3951  CG  PRO   247      29.558  40.601  54.553  0.00  0.00           C  
-ATOM   3952  HG2 PRO   247      29.159  40.955  53.602  0.00  0.00           H  
-ATOM   3953  HG3 PRO   247      30.538  41.034  54.757  0.00  0.00           H  
-ATOM   3954  CB  PRO   247      28.511  40.901  55.578  0.00  0.00           C  
-ATOM   3955  HB2 PRO   247      27.986  41.853  55.492  0.00  0.00           H  
-ATOM   3956  HB3 PRO   247      28.938  40.854  56.580  0.00  0.00           H  
-ATOM   3957  CA  PRO   247      27.582  39.702  55.469  0.00  0.00           C  
-ATOM   3958  HA  PRO   247      27.160  39.482  56.450  0.00  0.00           H  
-ATOM   3959  C   PRO   247      26.417  39.891  54.513  0.00  0.00           C  
-ATOM   3960  O   PRO   247      26.413  39.256  53.440  0.00  0.00           O  
-ATOM   3961  N   ARG   248      25.439  40.721  54.865  0.00  0.00           N  
-ATOM   3962  H   ARG   248      25.584  41.281  55.694  0.00  0.00           H  
-ATOM   3963  CA  ARG   248      24.213  41.128  54.074  0.00  0.00           C  
-ATOM   3964  HA  ARG   248      23.862  40.331  53.420  0.00  0.00           H  
-ATOM   3965  CB  ARG   248      22.988  41.656  54.885  0.00  0.00           C  
-ATOM   3966  HB2 ARG   248      23.261  42.566  55.420  0.00  0.00           H  
-ATOM   3967  HB3 ARG   248      22.063  41.785  54.323  0.00  0.00           H  
-ATOM   3968  CG  ARG   248      22.638  40.642  56.080  0.00  0.00           C  
-ATOM   3969  HG2 ARG   248      22.832  39.612  55.782  0.00  0.00           H  
-ATOM   3970  HG3 ARG   248      23.401  40.870  56.824  0.00  0.00           H  
-ATOM   3971  CD  ARG   248      21.205  40.721  56.545  0.00  0.00           C  
-ATOM   3972  HD2 ARG   248      21.068  41.665  57.072  0.00  0.00           H  
-ATOM   3973  HD3 ARG   248      20.504  40.597  55.720  0.00  0.00           H  
-ATOM   3974  NE  ARG   248      20.930  39.658  57.614  0.00  0.00           N  
-ATOM   3975  HE  ARG   248      21.711  39.225  58.085  0.00  0.00           H  
-ATOM   3976  CZ  ARG   248      19.743  39.115  57.807  0.00  0.00           C  
-ATOM   3977  NH1 ARG   248      19.654  38.236  58.796  0.00  0.00           N  
-ATOM   3978 HH11 ARG   248      20.487  38.028  59.327  0.00  0.00           H  
-ATOM   3979 HH12 ARG   248      18.699  38.008  59.036  0.00  0.00           H  
-ATOM   3980  NH2 ARG   248      18.692  39.293  57.093  0.00  0.00           N  
-ATOM   3981 HH21 ARG   248      18.635  40.280  56.883  0.00  0.00           H  
-ATOM   3982 HH22 ARG   248      17.884  38.714  57.271  0.00  0.00           H  
-ATOM   3983  C   ARG   248      24.750  42.313  53.257  0.00  0.00           C  
-ATOM   3984  O   ARG   248      25.287  43.267  53.857  0.00  0.00           O  
-ATOM   3985  N   PRO   249      24.734  42.266  51.882  0.00  0.00           N  
-ATOM   3986  CD  PRO   249      24.285  41.123  51.072  0.00  0.00           C  
-ATOM   3987  HD2 PRO   249      23.195  41.118  51.079  0.00  0.00           H  
-ATOM   3988  HD3 PRO   249      24.737  40.164  51.324  0.00  0.00           H  
-ATOM   3989  CG  PRO   249      24.820  41.389  49.685  0.00  0.00           C  
-ATOM   3990  HG2 PRO   249      24.156  41.163  48.851  0.00  0.00           H  
-ATOM   3991  HG3 PRO   249      25.698  40.766  49.519  0.00  0.00           H  
-ATOM   3992  CB  PRO   249      25.245  42.842  49.659  0.00  0.00           C  
-ATOM   3993  HB2 PRO   249      24.529  43.341  49.006  0.00  0.00           H  
-ATOM   3994  HB3 PRO   249      26.206  42.959  49.159  0.00  0.00           H  
-ATOM   3995  CA  PRO   249      25.318  43.320  51.098  0.00  0.00           C  
-ATOM   3996  HA  PRO   249      26.377  43.397  51.345  0.00  0.00           H  
-ATOM   3997  C   PRO   249      24.579  44.644  51.329  0.00  0.00           C  
-ATOM   3998  O   PRO   249      23.360  44.691  51.678  0.00  0.00           O  
-ATOM   3999  N   ASP   250      25.215  45.737  51.037  0.00  0.00           N  
-ATOM   4000  H   ASP   250      26.148  45.604  50.674  0.00  0.00           H  
-ATOM   4001  CA  ASP   250      24.670  47.082  50.919  0.00  0.00           C  
-ATOM   4002  HA  ASP   250      24.514  47.483  51.921  0.00  0.00           H  
-ATOM   4003  CB  ASP   250      25.720  48.073  50.236  0.00  0.00           C  
-ATOM   4004  HB2 ASP   250      25.964  47.804  49.209  0.00  0.00           H  
-ATOM   4005  HB3 ASP   250      25.161  48.999  50.094  0.00  0.00           H  
-ATOM   4006  CG  ASP   250      27.009  48.352  50.962  0.00  0.00           C  
-ATOM   4007  OD1 ASP   250      27.054  48.214  52.236  0.00  0.00           O  
-ATOM   4008  OD2 ASP   250      28.076  48.614  50.342  0.00  0.00           O  
-ATOM   4009  C   ASP   250      23.349  47.006  50.064  0.00  0.00           C  
-ATOM   4010  O   ASP   250      23.384  46.410  48.987  0.00  0.00           O  
-ATOM   4011  N   LYS   251      22.191  47.608  50.531  0.00  0.00           N  
-ATOM   4012  H   LYS   251      22.290  48.144  51.382  0.00  0.00           H  
-ATOM   4013  CA  LYS   251      20.892  47.731  49.802  0.00  0.00           C  
-ATOM   4014  HA  LYS   251      20.264  48.096  50.614  0.00  0.00           H  
-ATOM   4015  CB  LYS   251      21.011  48.718  48.615  0.00  0.00           C  
-ATOM   4016  HB2 LYS   251      21.621  48.238  47.850  0.00  0.00           H  
-ATOM   4017  HB3 LYS   251      20.049  48.860  48.122  0.00  0.00           H  
-ATOM   4018  CG  LYS   251      21.633  50.104  48.999  0.00  0.00           C  
-ATOM   4019  HG2 LYS   251      20.978  50.557  49.743  0.00  0.00           H  
-ATOM   4020  HG3 LYS   251      22.597  50.007  49.499  0.00  0.00           H  
-ATOM   4021  CD  LYS   251      21.586  51.070  47.794  0.00  0.00           C  
-ATOM   4022  HD2 LYS   251      22.302  51.864  48.004  0.00  0.00           H  
-ATOM   4023  HD3 LYS   251      22.057  50.523  46.977  0.00  0.00           H  
-ATOM   4024  CE  LYS   251      20.172  51.516  47.552  0.00  0.00           C  
-ATOM   4025  HE2 LYS   251      19.463  50.713  47.352  0.00  0.00           H  
-ATOM   4026  HE3 LYS   251      19.740  51.981  48.439  0.00  0.00           H  
-ATOM   4027  NZ  LYS   251      20.202  52.483  46.429  0.00  0.00           N  
-ATOM   4028  HZ1 LYS   251      20.522  52.058  45.570  0.00  0.00           H  
-ATOM   4029  HZ2 LYS   251      19.300  52.924  46.318  0.00  0.00           H  
-ATOM   4030  HZ3 LYS   251      20.889  53.222  46.460  0.00  0.00           H  
-ATOM   4031  C   LYS   251      20.295  46.376  49.343  0.00  0.00           C  
-ATOM   4032  O   LYS   251      19.459  46.279  48.485  0.00  0.00           O  
-ATOM   4033  N   CYS   252      20.680  45.271  49.963  0.00  0.00           N  
-ATOM   4034  H   CYS   252      21.580  45.249  50.420  0.00  0.00           H  
-ATOM   4035  CA  CYS   252      20.019  43.909  49.982  0.00  0.00           C  
-ATOM   4036  HA  CYS   252      19.717  43.746  48.947  0.00  0.00           H  
-ATOM   4037  CB  CYS   252      21.095  42.914  50.290  0.00  0.00           C  
-ATOM   4038  HB2 CYS   252      21.876  42.969  49.532  0.00  0.00           H  
-ATOM   4039  HB3 CYS   252      21.527  42.996  51.287  0.00  0.00           H  
-ATOM   4040  SG  CYS   252      20.405  41.264  50.147  0.00  0.00           S  
-ATOM   4041  HG  CYS   252      19.484  41.308  51.113  0.00  0.00           H  
-ATOM   4042  C   CYS   252      18.940  43.892  50.995  0.00  0.00           C  
-ATOM   4043  O   CYS   252      19.275  43.936  52.165  0.00  0.00           O  
-ATOM   4044  N   PRO   253      17.646  43.916  50.575  0.00  0.00           N  
-ATOM   4045  CD  PRO   253      17.170  43.956  49.200  0.00  0.00           C  
-ATOM   4046  HD2 PRO   253      17.576  43.145  48.597  0.00  0.00           H  
-ATOM   4047  HD3 PRO   253      17.400  44.856  48.629  0.00  0.00           H  
-ATOM   4048  CG  PRO   253      15.632  43.802  49.247  0.00  0.00           C  
-ATOM   4049  HG2 PRO   253      15.360  42.747  49.228  0.00  0.00           H  
-ATOM   4050  HG3 PRO   253      15.210  44.439  48.470  0.00  0.00           H  
-ATOM   4051  CB  PRO   253      15.224  44.322  50.681  0.00  0.00           C  
-ATOM   4052  HB2 PRO   253      14.362  43.820  51.120  0.00  0.00           H  
-ATOM   4053  HB3 PRO   253      15.007  45.390  50.650  0.00  0.00           H  
-ATOM   4054  CA  PRO   253      16.507  43.960  51.489  0.00  0.00           C  
-ATOM   4055  HA  PRO   253      16.642  44.739  52.240  0.00  0.00           H  
-ATOM   4056  C   PRO   253      16.407  42.592  52.143  0.00  0.00           C  
-ATOM   4057  O   PRO   253      16.963  41.568  51.795  0.00  0.00           O  
-ATOM   4058  N   CYS   254      15.662  42.533  53.265  0.00  0.00           N  
-ATOM   4059  H   CYS   254      15.183  43.395  53.480  0.00  0.00           H  
-ATOM   4060  CA  CYS   254      15.448  41.413  54.184  0.00  0.00           C  
-ATOM   4061  HA  CYS   254      16.326  41.232  54.804  0.00  0.00           H  
-ATOM   4062  CB  CYS   254      14.356  41.880  55.223  0.00  0.00           C  
-ATOM   4063  HB2 CYS   254      14.408  42.965  55.322  0.00  0.00           H  
-ATOM   4064  HB3 CYS   254      13.375  41.692  54.786  0.00  0.00           H  
-ATOM   4065  SG  CYS   254      14.599  41.030  56.814  0.00  0.00           S  
-ATOM   4066  HG  CYS   254      15.731  41.698  57.052  0.00  0.00           H  
-ATOM   4067  C   CYS   254      15.179  40.042  53.407  0.00  0.00           C  
-ATOM   4068  O   CYS   254      15.853  39.018  53.579  0.00  0.00           O  
-ATOM   4069  N   GLU   255      14.120  40.139  52.520  0.00  0.00           N  
-ATOM   4070  H   GLU   255      13.643  41.027  52.459  0.00  0.00           H  
-ATOM   4071  CA  GLU   255      13.662  39.050  51.715  0.00  0.00           C  
-ATOM   4072  HA  GLU   255      13.558  38.174  52.356  0.00  0.00           H  
-ATOM   4073  CB  GLU   255      12.311  39.512  51.144  0.00  0.00           C  
-ATOM   4074  HB2 GLU   255      11.925  38.666  50.575  0.00  0.00           H  
-ATOM   4075  HB3 GLU   255      11.588  39.794  51.909  0.00  0.00           H  
-ATOM   4076  CG  GLU   255      12.293  40.690  50.144  0.00  0.00           C  
-ATOM   4077  HG2 GLU   255      13.242  40.740  49.611  0.00  0.00           H  
-ATOM   4078  HG3 GLU   255      11.561  40.571  49.345  0.00  0.00           H  
-ATOM   4079  CD  GLU   255      12.053  42.086  50.707  0.00  0.00           C  
-ATOM   4080  OE1 GLU   255      11.583  42.938  49.927  0.00  0.00           O  
-ATOM   4081  OE2 GLU   255      12.296  42.322  51.923  0.00  0.00           O  
-ATOM   4082  C   GLU   255      14.591  38.703  50.537  0.00  0.00           C  
-ATOM   4083  O   GLU   255      14.347  37.664  49.959  0.00  0.00           O  
-ATOM   4084  N   VAL   256      15.762  39.378  50.228  0.00  0.00           N  
-ATOM   4085  H   VAL   256      16.106  40.162  50.763  0.00  0.00           H  
-ATOM   4086  CA  VAL   256      16.773  38.610  49.393  0.00  0.00           C  
-ATOM   4087  HA  VAL   256      16.228  37.948  48.720  0.00  0.00           H  
-ATOM   4088  CB  VAL   256      17.611  39.651  48.610  0.00  0.00           C  
-ATOM   4089  HB  VAL   256      17.941  40.477  49.241  0.00  0.00           H  
-ATOM   4090  CG1 VAL   256      18.812  38.984  47.945  0.00  0.00           C  
-ATOM   4091 HG11 VAL   256      19.195  39.648  47.170  0.00  0.00           H  
-ATOM   4092 HG12 VAL   256      19.581  38.733  48.676  0.00  0.00           H  
-ATOM   4093 HG13 VAL   256      18.535  38.080  47.403  0.00  0.00           H  
-ATOM   4094  CG2 VAL   256      16.843  40.326  47.491  0.00  0.00           C  
-ATOM   4095 HG21 VAL   256      16.481  39.514  46.861  0.00  0.00           H  
-ATOM   4096 HG22 VAL   256      15.954  40.726  47.979  0.00  0.00           H  
-ATOM   4097 HG23 VAL   256      17.434  41.062  46.945  0.00  0.00           H  
-ATOM   4098  C   VAL   256      17.762  37.832  50.243  0.00  0.00           C  
-ATOM   4099  O   VAL   256      18.076  36.723  49.889  0.00  0.00           O  
-ATOM   4100  N   TYR   257      18.231  38.392  51.372  0.00  0.00           N  
-ATOM   4101  H   TYR   257      17.932  39.320  51.635  0.00  0.00           H  
-ATOM   4102  CA  TYR   257      19.157  37.647  52.223  0.00  0.00           C  
-ATOM   4103  HA  TYR   257      19.891  37.334  51.481  0.00  0.00           H  
-ATOM   4104  CB  TYR   257      19.813  38.689  53.195  0.00  0.00           C  
-ATOM   4105  HB2 TYR   257      20.159  39.630  52.768  0.00  0.00           H  
-ATOM   4106  HB3 TYR   257      19.053  39.011  53.906  0.00  0.00           H  
-ATOM   4107  CG  TYR   257      21.027  38.113  53.868  0.00  0.00           C  
-ATOM   4108  CD1 TYR   257      22.208  38.118  53.157  0.00  0.00           C  
-ATOM   4109  HD1 TYR   257      22.346  38.452  52.139  0.00  0.00           H  
-ATOM   4110  CE1 TYR   257      23.331  37.469  53.777  0.00  0.00           C  
-ATOM   4111  HE1 TYR   257      24.345  37.412  53.409  0.00  0.00           H  
-ATOM   4112  CZ  TYR   257      23.233  36.862  55.066  0.00  0.00           C  
-ATOM   4113  OH  TYR   257      24.330  36.246  55.651  0.00  0.00           O  
-ATOM   4114  HH  TYR   257      25.188  36.457  55.276  0.00  0.00           H  
-ATOM   4115  CE2 TYR   257      22.001  36.836  55.733  0.00  0.00           C  
-ATOM   4116  HE2 TYR   257      21.829  36.376  56.695  0.00  0.00           H  
-ATOM   4117  CD2 TYR   257      20.891  37.504  55.059  0.00  0.00           C  
-ATOM   4118  HD2 TYR   257      19.933  37.428  55.552  0.00  0.00           H  
-ATOM   4119  C   TYR   257      18.687  36.440  52.968  0.00  0.00           C  
-ATOM   4120  O   TYR   257      19.452  35.508  53.164  0.00  0.00           O  
-ATOM   4121  N   HIE   258      17.334  36.310  53.287  0.00  0.00           N  
-ATOM   4122  H   HIE   258      16.864  37.196  53.167  0.00  0.00           H  
-ATOM   4123  CA  HIE   258      16.588  35.099  53.686  0.00  0.00           C  
-ATOM   4124  HA  HIE   258      17.146  34.738  54.550  0.00  0.00           H  
-ATOM   4125  CB  HIE   258      15.160  35.571  54.201  0.00  0.00           C  
-ATOM   4126  HB2 HIE   258      15.393  36.309  54.968  0.00  0.00           H  
-ATOM   4127  HB3 HIE   258      14.578  36.066  53.423  0.00  0.00           H  
-ATOM   4128  CG  HIE   258      14.381  34.454  54.735  0.00  0.00           C  
-ATOM   4129  ND1 HIE   258      13.611  33.615  53.928  0.00  0.00           N  
-ATOM   4130  CE1 HIE   258      13.340  32.505  54.656  0.00  0.00           C  
-ATOM   4131  HE1 HIE   258      12.840  31.689  54.155  0.00  0.00           H  
-ATOM   4132  NE2 HIE   258      13.821  32.669  55.896  0.00  0.00           N  
-ATOM   4133  HE2 HIE   258      13.788  32.014  56.664  0.00  0.00           H  
-ATOM   4134  CD2 HIE   258      14.522  33.823  55.940  0.00  0.00           C  
-ATOM   4135  HD2 HIE   258      15.058  34.216  56.790  0.00  0.00           H  
-ATOM   4136  C   HIE   258      16.621  33.888  52.757  0.00  0.00           C  
-ATOM   4137  O   HIE   258      16.907  32.793  53.211  0.00  0.00           O  
-ATOM   4138  N   LEU   259      16.600  34.133  51.419  0.00  0.00           N  
-ATOM   4139  H   LEU   259      16.663  35.101  51.139  0.00  0.00           H  
-ATOM   4140  CA  LEU   259      16.834  33.172  50.380  0.00  0.00           C  
-ATOM   4141  HA  LEU   259      16.365  32.232  50.671  0.00  0.00           H  
-ATOM   4142  CB  LEU   259      16.121  33.638  49.105  0.00  0.00           C  
-ATOM   4143  HB2 LEU   259      15.224  34.243  49.233  0.00  0.00           H  
-ATOM   4144  HB3 LEU   259      16.852  34.355  48.730  0.00  0.00           H  
-ATOM   4145  CG  LEU   259      15.891  32.560  48.087  0.00  0.00           C  
-ATOM   4146  HG  LEU   259      16.144  31.566  48.456  0.00  0.00           H  
-ATOM   4147  CD1 LEU   259      14.525  32.558  47.516  0.00  0.00           C  
-ATOM   4148 HD11 LEU   259      14.307  33.453  46.933  0.00  0.00           H  
-ATOM   4149 HD12 LEU   259      14.345  31.651  46.940  0.00  0.00           H  
-ATOM   4150 HD13 LEU   259      13.857  32.578  48.377  0.00  0.00           H  
-ATOM   4151  CD2 LEU   259      16.814  32.638  46.825  0.00  0.00           C  
-ATOM   4152 HD21 LEU   259      16.396  31.939  46.101  0.00  0.00           H  
-ATOM   4153 HD22 LEU   259      16.726  33.664  46.468  0.00  0.00           H  
-ATOM   4154 HD23 LEU   259      17.838  32.450  47.150  0.00  0.00           H  
-ATOM   4155  C   LEU   259      18.319  32.847  50.365  0.00  0.00           C  
-ATOM   4156  O   LEU   259      18.732  31.693  50.314  0.00  0.00           O  
-ATOM   4157  N   MET   260      19.179  33.878  50.398  0.00  0.00           N  
-ATOM   4158  H   MET   260      18.980  34.858  50.257  0.00  0.00           H  
-ATOM   4159  CA  MET   260      20.596  33.662  50.403  0.00  0.00           C  
-ATOM   4160  HA  MET   260      20.831  33.104  49.497  0.00  0.00           H  
-ATOM   4161  CB  MET   260      21.468  34.996  50.368  0.00  0.00           C  
-ATOM   4162  HB2 MET   260      21.305  35.691  51.191  0.00  0.00           H  
-ATOM   4163  HB3 MET   260      22.494  34.804  50.680  0.00  0.00           H  
-ATOM   4164  CG  MET   260      21.386  35.801  49.011  0.00  0.00           C  
-ATOM   4165  HG2 MET   260      22.033  35.313  48.282  0.00  0.00           H  
-ATOM   4166  HG3 MET   260      20.340  35.810  48.705  0.00  0.00           H  
-ATOM   4167  SD  MET   260      21.920  37.477  49.301  0.00  0.00           S  
-ATOM   4168  CE  MET   260      23.674  37.293  49.277  0.00  0.00           C  
-ATOM   4169  HE1 MET   260      23.919  36.460  49.935  0.00  0.00           H  
-ATOM   4170  HE2 MET   260      24.029  37.089  48.266  0.00  0.00           H  
-ATOM   4171  HE3 MET   260      24.079  38.157  49.804  0.00  0.00           H  
-ATOM   4172  C   MET   260      21.049  32.731  51.587  0.00  0.00           C  
-ATOM   4173  O   MET   260      21.688  31.744  51.455  0.00  0.00           O  
-ATOM   4174  N   LYS   261      20.627  33.105  52.790  0.00  0.00           N  
-ATOM   4175  H   LYS   261      20.097  33.950  52.946  0.00  0.00           H  
-ATOM   4176  CA  LYS   261      20.809  32.290  53.960  0.00  0.00           C  
-ATOM   4177  HA  LYS   261      21.874  32.212  54.176  0.00  0.00           H  
-ATOM   4178  CB  LYS   261      20.198  33.092  55.130  0.00  0.00           C  
-ATOM   4179  HB2 LYS   261      20.572  34.110  55.016  0.00  0.00           H  
-ATOM   4180  HB3 LYS   261      19.112  33.175  55.094  0.00  0.00           H  
-ATOM   4181  CG  LYS   261      20.699  32.578  56.494  0.00  0.00           C  
-ATOM   4182  HG2 LYS   261      20.205  31.636  56.729  0.00  0.00           H  
-ATOM   4183  HG3 LYS   261      21.744  32.289  56.381  0.00  0.00           H  
-ATOM   4184  CD  LYS   261      20.625  33.546  57.681  0.00  0.00           C  
-ATOM   4185  HD2 LYS   261      21.292  34.369  57.424  0.00  0.00           H  
-ATOM   4186  HD3 LYS   261      19.617  33.942  57.806  0.00  0.00           H  
-ATOM   4187  CE  LYS   261      21.145  32.954  58.967  0.00  0.00           C  
-ATOM   4188  HE2 LYS   261      22.039  32.390  58.702  0.00  0.00           H  
-ATOM   4189  HE3 LYS   261      21.417  33.635  59.773  0.00  0.00           H  
-ATOM   4190  NZ  LYS   261      20.182  31.971  59.461  0.00  0.00           N  
-ATOM   4191  HZ1 LYS   261      20.426  30.992  59.423  0.00  0.00           H  
-ATOM   4192  HZ2 LYS   261      20.047  32.025  60.461  0.00  0.00           H  
-ATOM   4193  HZ3 LYS   261      19.301  32.060  58.975  0.00  0.00           H  
-ATOM   4194  C   LYS   261      20.291  30.881  53.859  0.00  0.00           C  
-ATOM   4195  O   LYS   261      21.029  30.001  54.306  0.00  0.00           O  
-ATOM   4196  N   ASN   262      19.151  30.612  53.217  0.00  0.00           N  
-ATOM   4197  H   ASN   262      18.698  31.486  52.992  0.00  0.00           H  
-ATOM   4198  CA  ASN   262      18.514  29.268  52.979  0.00  0.00           C  
-ATOM   4199  HA  ASN   262      18.342  28.759  53.927  0.00  0.00           H  
-ATOM   4200  CB  ASN   262      17.102  29.471  52.349  0.00  0.00           C  
-ATOM   4201  HB2 ASN   262      16.722  30.327  52.906  0.00  0.00           H  
-ATOM   4202  HB3 ASN   262      17.135  29.604  51.267  0.00  0.00           H  
-ATOM   4203  CG  ASN   262      16.186  28.271  52.551  0.00  0.00           C  
-ATOM   4204  OD1 ASN   262      16.289  27.430  53.495  0.00  0.00           O  
-ATOM   4205  ND2 ASN   262      15.193  28.251  51.764  0.00  0.00           N  
-ATOM   4206 HD21 ASN   262      14.952  29.039  51.180  0.00  0.00           H  
-ATOM   4207 HD22 ASN   262      14.525  27.495  51.807  0.00  0.00           H  
-ATOM   4208  C   ASN   262      19.398  28.399  52.052  0.00  0.00           C  
-ATOM   4209  O   ASN   262      19.690  27.217  52.232  0.00  0.00           O  
-ATOM   4210  N   CYS   263      19.912  29.033  51.001  0.00  0.00           N  
-ATOM   4211  H   CYS   263      19.635  29.948  50.674  0.00  0.00           H  
-ATOM   4212  CA  CYS   263      20.936  28.523  50.083  0.00  0.00           C  
-ATOM   4213  HA  CYS   263      20.505  27.585  49.734  0.00  0.00           H  
-ATOM   4214  CB  CYS   263      21.229  29.522  49.001  0.00  0.00           C  
-ATOM   4215  HB2 CYS   263      21.533  30.457  49.472  0.00  0.00           H  
-ATOM   4216  HB3 CYS   263      22.118  29.245  48.434  0.00  0.00           H  
-ATOM   4217  SG  CYS   263      19.660  29.773  48.006  0.00  0.00           S  
-ATOM   4218  HG  CYS   263      19.084  30.264  49.107  0.00  0.00           H  
-ATOM   4219  C   CYS   263      22.241  28.140  50.761  0.00  0.00           C  
-ATOM   4220  O   CYS   263      22.976  27.244  50.287  0.00  0.00           O  
-ATOM   4221  N   TRP   264      22.546  28.753  51.863  0.00  0.00           N  
-ATOM   4222  H   TRP   264      21.822  29.387  52.170  0.00  0.00           H  
-ATOM   4223  CA  TRP   264      23.732  28.463  52.717  0.00  0.00           C  
-ATOM   4224  HA  TRP   264      24.399  27.924  52.045  0.00  0.00           H  
-ATOM   4225  CB  TRP   264      24.621  29.700  53.172  0.00  0.00           C  
-ATOM   4226  HB2 TRP   264      23.962  30.262  53.834  0.00  0.00           H  
-ATOM   4227  HB3 TRP   264      25.481  29.377  53.759  0.00  0.00           H  
-ATOM   4228  CG  TRP   264      25.042  30.619  52.061  0.00  0.00           C  
-ATOM   4229  CD1 TRP   264      25.422  30.212  50.864  0.00  0.00           C  
-ATOM   4230  HD1 TRP   264      25.416  29.206  50.472  0.00  0.00           H  
-ATOM   4231  NE1 TRP   264      25.739  31.259  50.119  0.00  0.00           N  
-ATOM   4232  HE1 TRP   264      26.225  31.096  49.249  0.00  0.00           H  
-ATOM   4233  CE2 TRP   264      25.664  32.413  50.818  0.00  0.00           C  
-ATOM   4234  CZ2 TRP   264      25.950  33.722  50.442  0.00  0.00           C  
-ATOM   4235  HZ2 TRP   264      26.176  33.897  49.400  0.00  0.00           H  
-ATOM   4236  CH2 TRP   264      25.814  34.783  51.384  0.00  0.00           C  
-ATOM   4237  HH2 TRP   264      26.093  35.776  51.063  0.00  0.00           H  
-ATOM   4238  CZ3 TRP   264      25.436  34.473  52.719  0.00  0.00           C  
-ATOM   4239  HZ3 TRP   264      25.384  35.219  53.499  0.00  0.00           H  
-ATOM   4240  CE3 TRP   264      25.118  33.131  53.047  0.00  0.00           C  
-ATOM   4241  HE3 TRP   264      24.704  32.851  54.004  0.00  0.00           H  
-ATOM   4242  CD2 TRP   264      25.315  32.044  52.121  0.00  0.00           C  
-ATOM   4243  C   TRP   264      23.513  27.460  53.885  0.00  0.00           C  
-ATOM   4244  O   TRP   264      24.367  27.371  54.710  0.00  0.00           O  
-ATOM   4245  N   GLU   265      22.323  26.802  53.903  0.00  0.00           N  
-ATOM   4246  H   GLU   265      21.622  26.828  53.176  0.00  0.00           H  
-ATOM   4247  CA  GLU   265      22.106  25.934  55.036  0.00  0.00           C  
-ATOM   4248  HA  GLU   265      22.337  26.391  55.999  0.00  0.00           H  
-ATOM   4249  CB  GLU   265      20.590  25.476  55.073  0.00  0.00           C  
-ATOM   4250  HB2 GLU   265      20.387  24.831  54.218  0.00  0.00           H  
-ATOM   4251  HB3 GLU   265      20.526  24.925  56.011  0.00  0.00           H  
-ATOM   4252  CG  GLU   265      19.571  26.676  55.162  0.00  0.00           C  
-ATOM   4253  HG2 GLU   265      19.951  27.555  54.642  0.00  0.00           H  
-ATOM   4254  HG3 GLU   265      18.585  26.410  54.781  0.00  0.00           H  
-ATOM   4255  CD  GLU   265      19.235  27.074  56.600  0.00  0.00           C  
-ATOM   4256  OE1 GLU   265      18.049  27.247  57.019  0.00  0.00           O  
-ATOM   4257  OE2 GLU   265      20.210  27.097  57.381  0.00  0.00           O  
-ATOM   4258  C   GLU   265      22.906  24.698  55.013  0.00  0.00           C  
-ATOM   4259  O   GLU   265      23.244  24.113  53.967  0.00  0.00           O  
-ATOM   4260  N   THR   266      23.228  24.254  56.244  0.00  0.00           N  
-ATOM   4261  H   THR   266      22.938  24.735  57.083  0.00  0.00           H  
-ATOM   4262  CA  THR   266      24.261  23.206  56.519  0.00  0.00           C  
-ATOM   4263  HA  THR   266      25.132  23.443  55.907  0.00  0.00           H  
-ATOM   4264  CB  THR   266      24.907  23.293  57.913  0.00  0.00           C  
-ATOM   4265  HB  THR   266      24.323  22.754  58.660  0.00  0.00           H  
-ATOM   4266  CG2 THR   266      26.371  22.664  57.900  0.00  0.00           C  
-ATOM   4267 HG21 THR   266      27.099  23.244  58.467  0.00  0.00           H  
-ATOM   4268 HG22 THR   266      26.272  21.652  58.292  0.00  0.00           H  
-ATOM   4269 HG23 THR   266      26.756  22.532  56.889  0.00  0.00           H  
-ATOM   4270  OG1 THR   266      25.111  24.653  58.266  0.00  0.00           O  
-ATOM   4271  HG1 THR   266      24.762  24.747  59.155  0.00  0.00           H  
-ATOM   4272  C   THR   266      23.844  21.738  56.255  0.00  0.00           C  
-ATOM   4273  O   THR   266      24.215  20.799  56.901  0.00  0.00           O  
-ATOM   4274  N   GLU   267      22.970  21.509  55.238  0.00  0.00           N  
-ATOM   4275  H   GLU   267      22.634  22.303  54.711  0.00  0.00           H  
-ATOM   4276  CA  GLU   267      22.452  20.223  54.939  0.00  0.00           C  
-ATOM   4277  HA  GLU   267      23.243  19.477  55.010  0.00  0.00           H  
-ATOM   4278  CB  GLU   267      21.373  19.896  56.058  0.00  0.00           C  
-ATOM   4279  HB2 GLU   267      21.908  19.893  57.007  0.00  0.00           H  
-ATOM   4280  HB3 GLU   267      20.645  20.705  56.110  0.00  0.00           H  
-ATOM   4281  CG  GLU   267      20.741  18.537  55.868  0.00  0.00           C  
-ATOM   4282  HG2 GLU   267      20.533  18.244  56.897  0.00  0.00           H  
-ATOM   4283  HG3 GLU   267      19.837  18.758  55.300  0.00  0.00           H  
-ATOM   4284  CD  GLU   267      21.587  17.369  55.198  0.00  0.00           C  
-ATOM   4285  OE1 GLU   267      21.048  16.543  54.397  0.00  0.00           O  
-ATOM   4286  OE2 GLU   267      22.805  17.231  55.403  0.00  0.00           O  
-ATOM   4287  C   GLU   267      21.882  20.152  53.522  0.00  0.00           C  
-ATOM   4288  O   GLU   267      21.034  20.959  53.123  0.00  0.00           O  
-ATOM   4289  N   ALA   268      22.441  19.337  52.613  0.00  0.00           N  
-ATOM   4290  H   ALA   268      23.144  18.650  52.845  0.00  0.00           H  
-ATOM   4291  CA  ALA   268      22.072  19.319  51.173  0.00  0.00           C  
-ATOM   4292  HA  ALA   268      22.015  20.306  50.712  0.00  0.00           H  
-ATOM   4293  CB  ALA   268      22.955  18.458  50.303  0.00  0.00           C  
-ATOM   4294  HB1 ALA   268      23.980  18.541  50.665  0.00  0.00           H  
-ATOM   4295  HB2 ALA   268      22.596  17.430  50.363  0.00  0.00           H  
-ATOM   4296  HB3 ALA   268      22.849  18.828  49.283  0.00  0.00           H  
-ATOM   4297  C   ALA   268      20.674  18.733  50.943  0.00  0.00           C  
-ATOM   4298  O   ALA   268      20.007  19.192  50.034  0.00  0.00           O  
-ATOM   4299  N   SER   269      20.148  17.714  51.680  0.00  0.00           N  
-ATOM   4300  H   SER   269      20.738  17.268  52.368  0.00  0.00           H  
-ATOM   4301  CA  SER   269      18.740  17.293  51.593  0.00  0.00           C  
-ATOM   4302  HA  SER   269      18.511  17.059  50.554  0.00  0.00           H  
-ATOM   4303  CB  SER   269      18.485  15.965  52.301  0.00  0.00           C  
-ATOM   4304  HB2 SER   269      17.460  15.733  52.010  0.00  0.00           H  
-ATOM   4305  HB3 SER   269      19.149  15.181  51.937  0.00  0.00           H  
-ATOM   4306  OG  SER   269      18.458  16.035  53.684  0.00  0.00           O  
-ATOM   4307  HG  SER   269      19.371  16.064  53.978  0.00  0.00           H  
-ATOM   4308  C   SER   269      17.768  18.441  51.983  0.00  0.00           C  
-ATOM   4309  O   SER   269      16.593  18.273  51.601  0.00  0.00           O  
-ATOM   4310  N   PHE   270      18.253  19.470  52.709  0.00  0.00           N  
-ATOM   4311  H   PHE   270      19.207  19.495  53.037  0.00  0.00           H  
-ATOM   4312  CA  PHE   270      17.326  20.457  53.223  0.00  0.00           C  
-ATOM   4313  HA  PHE   270      16.285  20.146  53.137  0.00  0.00           H  
-ATOM   4314  CB  PHE   270      17.660  20.711  54.714  0.00  0.00           C  
-ATOM   4315  HB2 PHE   270      17.470  19.788  55.262  0.00  0.00           H  
-ATOM   4316  HB3 PHE   270      18.708  20.952  54.895  0.00  0.00           H  
-ATOM   4317  CG  PHE   270      16.814  21.665  55.476  0.00  0.00           C  
-ATOM   4318  CD1 PHE   270      15.580  21.190  55.946  0.00  0.00           C  
-ATOM   4319  HD1 PHE   270      15.175  20.199  55.805  0.00  0.00           H  
-ATOM   4320  CE1 PHE   270      14.826  22.174  56.621  0.00  0.00           C  
-ATOM   4321  HE1 PHE   270      13.889  21.901  57.083  0.00  0.00           H  
-ATOM   4322  CZ  PHE   270      15.318  23.451  56.854  0.00  0.00           C  
-ATOM   4323  HZ  PHE   270      14.700  24.113  57.441  0.00  0.00           H  
-ATOM   4324  CE2 PHE   270      16.599  23.825  56.404  0.00  0.00           C  
-ATOM   4325  HE2 PHE   270      16.864  24.834  56.683  0.00  0.00           H  
-ATOM   4326  CD2 PHE   270      17.347  22.947  55.681  0.00  0.00           C  
-ATOM   4327  HD2 PHE   270      18.162  23.394  55.131  0.00  0.00           H  
-ATOM   4328  C   PHE   270      17.380  21.749  52.334  0.00  0.00           C  
-ATOM   4329  O   PHE   270      16.394  22.497  52.328  0.00  0.00           O  
-ATOM   4330  N   ARG   271      18.467  22.024  51.588  0.00  0.00           N  
-ATOM   4331  H   ARG   271      19.297  21.506  51.840  0.00  0.00           H  
-ATOM   4332  CA  ARG   271      18.622  23.191  50.735  0.00  0.00           C  
-ATOM   4333  HA  ARG   271      18.380  24.071  51.332  0.00  0.00           H  
-ATOM   4334  CB  ARG   271      20.025  23.330  50.283  0.00  0.00           C  
-ATOM   4335  HB2 ARG   271      20.347  22.419  49.778  0.00  0.00           H  
-ATOM   4336  HB3 ARG   271      20.103  24.076  49.492  0.00  0.00           H  
-ATOM   4337  CG  ARG   271      21.072  23.839  51.307  0.00  0.00           C  
-ATOM   4338  HG2 ARG   271      20.730  24.811  51.665  0.00  0.00           H  
-ATOM   4339  HG3 ARG   271      21.041  23.071  52.080  0.00  0.00           H  
-ATOM   4340  CD  ARG   271      22.436  24.113  50.778  0.00  0.00           C  
-ATOM   4341  HD2 ARG   271      22.445  24.805  49.936  0.00  0.00           H  
-ATOM   4342  HD3 ARG   271      22.934  24.686  51.560  0.00  0.00           H  
-ATOM   4343  NE  ARG   271      23.242  22.964  50.358  0.00  0.00           N  
-ATOM   4344  HE  ARG   271      22.971  22.635  49.443  0.00  0.00           H  
-ATOM   4345  CZ  ARG   271      24.258  22.377  50.867  0.00  0.00           C  
-ATOM   4346  NH1 ARG   271      24.713  22.659  52.004  0.00  0.00           N  
-ATOM   4347 HH11 ARG   271      24.118  23.273  52.540  0.00  0.00           H  
-ATOM   4348 HH12 ARG   271      25.307  21.997  52.483  0.00  0.00           H  
-ATOM   4349  NH2 ARG   271      24.809  21.395  50.290  0.00  0.00           N  
-ATOM   4350 HH21 ARG   271      24.526  21.088  49.370  0.00  0.00           H  
-ATOM   4351 HH22 ARG   271      25.707  21.065  50.614  0.00  0.00           H  
-ATOM   4352  C   ARG   271      17.702  22.933  49.504  0.00  0.00           C  
-ATOM   4353  O   ARG   271      17.628  21.785  49.060  0.00  0.00           O  
-ATOM   4354  N   PRO   272      16.947  23.897  48.928  0.00  0.00           N  
-ATOM   4355  CD  PRO   272      16.630  25.210  49.566  0.00  0.00           C  
-ATOM   4356  HD2 PRO   272      17.452  25.922  49.647  0.00  0.00           H  
-ATOM   4357  HD3 PRO   272      16.254  25.046  50.575  0.00  0.00           H  
-ATOM   4358  CG  PRO   272      15.574  25.907  48.722  0.00  0.00           C  
-ATOM   4359  HG2 PRO   272      15.999  26.786  48.237  0.00  0.00           H  
-ATOM   4360  HG3 PRO   272      14.686  26.058  49.335  0.00  0.00           H  
-ATOM   4361  CB  PRO   272      15.199  24.947  47.595  0.00  0.00           C  
-ATOM   4362  HB2 PRO   272      15.296  25.536  46.683  0.00  0.00           H  
-ATOM   4363  HB3 PRO   272      14.160  24.651  47.736  0.00  0.00           H  
-ATOM   4364  CA  PRO   272      16.183  23.722  47.687  0.00  0.00           C  
-ATOM   4365  HA  PRO   272      15.588  22.848  47.951  0.00  0.00           H  
-ATOM   4366  C   PRO   272      16.932  23.342  46.392  0.00  0.00           C  
-ATOM   4367  O   PRO   272      18.155  23.496  46.194  0.00  0.00           O  
-ATOM   4368  N   THR   273      16.147  22.763  45.500  0.00  0.00           N  
-ATOM   4369  H   THR   273      15.202  22.569  45.798  0.00  0.00           H  
-ATOM   4370  CA  THR   273      16.628  22.689  44.101  0.00  0.00           C  
-ATOM   4371  HA  THR   273      17.717  22.682  44.057  0.00  0.00           H  
-ATOM   4372  CB  THR   273      16.068  21.384  43.491  0.00  0.00           C  
-ATOM   4373  HB  THR   273      16.133  21.351  42.403  0.00  0.00           H  
-ATOM   4374  CG2 THR   273      16.623  20.060  44.013  0.00  0.00           C  
-ATOM   4375 HG21 THR   273      16.038  19.171  43.778  0.00  0.00           H  
-ATOM   4376 HG22 THR   273      17.593  19.922  43.534  0.00  0.00           H  
-ATOM   4377 HG23 THR   273      16.818  20.105  45.084  0.00  0.00           H  
-ATOM   4378  OG1 THR   273      14.662  21.230  43.807  0.00  0.00           O  
-ATOM   4379  HG1 THR   273      14.135  21.590  43.090  0.00  0.00           H  
-ATOM   4380  C   THR   273      16.153  23.890  43.283  0.00  0.00           C  
-ATOM   4381  O   THR   273      15.273  24.679  43.754  0.00  0.00           O  
-ATOM   4382  N   PHE   274      16.764  24.058  42.115  0.00  0.00           N  
-ATOM   4383  H   PHE   274      17.433  23.392  41.755  0.00  0.00           H  
-ATOM   4384  CA  PHE   274      16.625  25.341  41.270  0.00  0.00           C  
-ATOM   4385  HA  PHE   274      16.970  26.149  41.916  0.00  0.00           H  
-ATOM   4386  CB  PHE   274      17.627  25.217  40.166  0.00  0.00           C  
-ATOM   4387  HB2 PHE   274      17.780  24.207  39.787  0.00  0.00           H  
-ATOM   4388  HB3 PHE   274      17.154  25.688  39.304  0.00  0.00           H  
-ATOM   4389  CG  PHE   274      18.906  25.881  40.508  0.00  0.00           C  
-ATOM   4390  CD1 PHE   274      19.081  27.251  40.649  0.00  0.00           C  
-ATOM   4391  HD1 PHE   274      18.276  27.968  40.575  0.00  0.00           H  
-ATOM   4392  CE1 PHE   274      20.310  27.807  40.997  0.00  0.00           C  
-ATOM   4393  HE1 PHE   274      20.461  28.871  41.104  0.00  0.00           H  
-ATOM   4394  CZ  PHE   274      21.421  26.985  41.138  0.00  0.00           C  
-ATOM   4395  HZ  PHE   274      22.381  27.435  41.347  0.00  0.00           H  
-ATOM   4396  CE2 PHE   274      21.266  25.626  41.195  0.00  0.00           C  
-ATOM   4397  HE2 PHE   274      22.102  24.959  41.344  0.00  0.00           H  
-ATOM   4398  CD2 PHE   274      20.047  25.049  40.775  0.00  0.00           C  
-ATOM   4399  HD2 PHE   274      19.900  23.982  40.697  0.00  0.00           H  
-ATOM   4400  C   PHE   274      15.210  25.823  40.910  0.00  0.00           C  
-ATOM   4401  O   PHE   274      14.988  26.997  40.848  0.00  0.00           O  
-ATOM   4402  N   GLU   275      14.214  24.954  40.787  0.00  0.00           N  
-ATOM   4403  H   GLU   275      14.412  23.968  40.888  0.00  0.00           H  
-ATOM   4404  CA  GLU   275      12.882  25.429  40.369  0.00  0.00           C  
-ATOM   4405  HA  GLU   275      12.963  26.074  39.494  0.00  0.00           H  
-ATOM   4406  CB  GLU   275      12.038  24.247  39.938  0.00  0.00           C  
-ATOM   4407  HB2 GLU   275      11.139  24.645  39.467  0.00  0.00           H  
-ATOM   4408  HB3 GLU   275      12.555  23.589  39.240  0.00  0.00           H  
-ATOM   4409  CG  GLU   275      11.464  23.292  41.024  0.00  0.00           C  
-ATOM   4410  HG2 GLU   275      10.795  23.861  41.671  0.00  0.00           H  
-ATOM   4411  HG3 GLU   275      10.723  22.675  40.514  0.00  0.00           H  
-ATOM   4412  CD  GLU   275      12.380  22.415  41.902  0.00  0.00           C  
-ATOM   4413  OE1 GLU   275      13.585  22.309  41.633  0.00  0.00           O  
-ATOM   4414  OE2 GLU   275      11.800  21.854  42.815  0.00  0.00           O  
-ATOM   4415  C   GLU   275      12.199  26.168  41.552  0.00  0.00           C  
-ATOM   4416  O   GLU   275      11.291  26.989  41.303  0.00  0.00           O  
-ATOM   4417  N   ASN   276      12.737  26.092  42.756  0.00  0.00           N  
-ATOM   4418  H   ASN   276      13.512  25.446  42.793  0.00  0.00           H  
-ATOM   4419  CA  ASN   276      12.232  26.729  43.990  0.00  0.00           C  
-ATOM   4420  HA  ASN   276      11.147  26.776  43.892  0.00  0.00           H  
-ATOM   4421  CB  ASN   276      12.770  25.981  45.225  0.00  0.00           C  
-ATOM   4422  HB2 ASN   276      13.858  25.924  45.238  0.00  0.00           H  
-ATOM   4423  HB3 ASN   276      12.501  26.424  46.184  0.00  0.00           H  
-ATOM   4424  CG  ASN   276      12.175  24.554  45.084  0.00  0.00           C  
-ATOM   4425  OD1 ASN   276      10.976  24.315  45.249  0.00  0.00           O  
-ATOM   4426  ND2 ASN   276      12.973  23.589  44.787  0.00  0.00           N  
-ATOM   4427 HD21 ASN   276      13.931  23.664  44.475  0.00  0.00           H  
-ATOM   4428 HD22 ASN   276      12.510  22.755  44.453  0.00  0.00           H  
-ATOM   4429  C   ASN   276      12.598  28.166  44.090  0.00  0.00           C  
-ATOM   4430  O   ASN   276      11.906  28.926  44.742  0.00  0.00           O  
-ATOM   4431  N   LEU   277      13.688  28.616  43.462  0.00  0.00           N  
-ATOM   4432  H   LEU   277      14.077  28.019  42.747  0.00  0.00           H  
-ATOM   4433  CA  LEU   277      14.216  29.993  43.512  0.00  0.00           C  
-ATOM   4434  HA  LEU   277      14.057  30.433  44.496  0.00  0.00           H  
-ATOM   4435  CB  LEU   277      15.715  29.896  43.217  0.00  0.00           C  
-ATOM   4436  HB2 LEU   277      15.849  29.286  42.323  0.00  0.00           H  
-ATOM   4437  HB3 LEU   277      16.070  30.877  42.905  0.00  0.00           H  
-ATOM   4438  CG  LEU   277      16.677  29.397  44.288  0.00  0.00           C  
-ATOM   4439  HG  LEU   277      16.791  30.234  44.977  0.00  0.00           H  
-ATOM   4440  CD1 LEU   277      16.274  28.222  45.137  0.00  0.00           C  
-ATOM   4441 HD11 LEU   277      16.008  27.365  44.518  0.00  0.00           H  
-ATOM   4442 HD12 LEU   277      17.008  27.980  45.905  0.00  0.00           H  
-ATOM   4443 HD13 LEU   277      15.420  28.483  45.762  0.00  0.00           H  
-ATOM   4444  CD2 LEU   277      18.075  29.155  43.708  0.00  0.00           C  
-ATOM   4445 HD21 LEU   277      17.999  28.289  43.051  0.00  0.00           H  
-ATOM   4446 HD22 LEU   277      18.430  30.059  43.212  0.00  0.00           H  
-ATOM   4447 HD23 LEU   277      18.759  28.961  44.534  0.00  0.00           H  
-ATOM   4448  C   LEU   277      13.611  30.977  42.522  0.00  0.00           C  
-ATOM   4449  O   LEU   277      13.503  32.160  42.767  0.00  0.00           O  
-ATOM   4450  N   ILE   278      13.213  30.517  41.356  0.00  0.00           N  
-ATOM   4451  H   ILE   278      13.339  29.533  41.168  0.00  0.00           H  
-ATOM   4452  CA  ILE   278      12.627  31.270  40.222  0.00  0.00           C  
-ATOM   4453  HA  ILE   278      13.354  32.047  39.986  0.00  0.00           H  
-ATOM   4454  CB  ILE   278      12.591  30.384  38.954  0.00  0.00           C  
-ATOM   4455  HB  ILE   278      12.163  29.419  39.225  0.00  0.00           H  
-ATOM   4456  CG2 ILE   278      11.663  30.949  37.872  0.00  0.00           C  
-ATOM   4457 HG21 ILE   278      11.288  30.161  37.219  0.00  0.00           H  
-ATOM   4458 HG22 ILE   278      10.770  31.423  38.279  0.00  0.00           H  
-ATOM   4459 HG23 ILE   278      12.104  31.756  37.287  0.00  0.00           H  
-ATOM   4460  CG1 ILE   278      14.027  30.093  38.509  0.00  0.00           C  
-ATOM   4461 HG12 ILE   278      14.406  30.823  37.793  0.00  0.00           H  
-ATOM   4462 HG13 ILE   278      14.827  30.069  39.248  0.00  0.00           H  
-ATOM   4463  CD1 ILE   278      14.117  28.775  37.682  0.00  0.00           C  
-ATOM   4464 HD11 ILE   278      15.091  28.586  37.228  0.00  0.00           H  
-ATOM   4465 HD12 ILE   278      13.869  27.997  38.404  0.00  0.00           H  
-ATOM   4466 HD13 ILE   278      13.394  28.788  36.867  0.00  0.00           H  
-ATOM   4467  C   ILE   278      11.382  31.976  40.564  0.00  0.00           C  
-ATOM   4468  O   ILE   278      11.418  33.179  40.309  0.00  0.00           O  
-ATOM   4469  N   PRO   279      10.363  31.427  41.232  0.00  0.00           N  
-ATOM   4470  CD  PRO   279      10.109  30.129  41.569  0.00  0.00           C  
-ATOM   4471  HD2 PRO   279      10.977  29.719  42.085  0.00  0.00           H  
-ATOM   4472  HD3 PRO   279       9.870  29.661  40.614  0.00  0.00           H  
-ATOM   4473  CG  PRO   279       8.942  30.082  42.500  0.00  0.00           C  
-ATOM   4474  HG2 PRO   279       9.268  30.353  43.504  0.00  0.00           H  
-ATOM   4475  HG3 PRO   279       8.406  29.133  42.524  0.00  0.00           H  
-ATOM   4476  CB  PRO   279       8.092  31.218  41.933  0.00  0.00           C  
-ATOM   4477  HB2 PRO   279       7.376  31.589  42.666  0.00  0.00           H  
-ATOM   4478  HB3 PRO   279       7.540  30.925  41.040  0.00  0.00           H  
-ATOM   4479  CA  PRO   279       9.162  32.243  41.535  0.00  0.00           C  
-ATOM   4480  HA  PRO   279       8.856  32.729  40.608  0.00  0.00           H  
-ATOM   4481  C   PRO   279       9.323  33.349  42.643  0.00  0.00           C  
-ATOM   4482  O   PRO   279       8.646  34.416  42.607  0.00  0.00           O  
-ATOM   4483  N   ILE   280      10.283  33.093  43.515  0.00  0.00           N  
-ATOM   4484  H   ILE   280      10.747  32.197  43.485  0.00  0.00           H  
-ATOM   4485  CA  ILE   280      10.788  34.151  44.406  0.00  0.00           C  
-ATOM   4486  HA  ILE   280       9.851  34.595  44.742  0.00  0.00           H  
-ATOM   4487  CB  ILE   280      11.470  33.568  45.675  0.00  0.00           C  
-ATOM   4488  HB  ILE   280      12.411  33.068  45.443  0.00  0.00           H  
-ATOM   4489  CG2 ILE   280      11.853  34.659  46.660  0.00  0.00           C  
-ATOM   4490 HG21 ILE   280      12.337  34.263  47.552  0.00  0.00           H  
-ATOM   4491 HG22 ILE   280      12.528  35.268  46.058  0.00  0.00           H  
-ATOM   4492 HG23 ILE   280      10.996  35.291  46.893  0.00  0.00           H  
-ATOM   4493  CG1 ILE   280      10.463  32.580  46.405  0.00  0.00           C  
-ATOM   4494 HG12 ILE   280      10.303  31.657  45.849  0.00  0.00           H  
-ATOM   4495 HG13 ILE   280      10.875  32.320  47.380  0.00  0.00           H  
-ATOM   4496  CD1 ILE   280       9.079  33.166  46.799  0.00  0.00           C  
-ATOM   4497 HD11 ILE   280       9.132  34.170  47.221  0.00  0.00           H  
-ATOM   4498 HD12 ILE   280       8.421  33.159  45.930  0.00  0.00           H  
-ATOM   4499 HD13 ILE   280       8.648  32.511  47.556  0.00  0.00           H  
-ATOM   4500  C   ILE   280      11.598  35.249  43.744  0.00  0.00           C  
-ATOM   4501  O   ILE   280      11.114  36.389  43.870  0.00  0.00           O  
-ATOM   4502  N   LEU   281      12.643  34.899  43.005  0.00  0.00           N  
-ATOM   4503  H   LEU   281      12.939  33.935  42.947  0.00  0.00           H  
-ATOM   4504  CA  LEU   281      13.488  35.892  42.371  0.00  0.00           C  
-ATOM   4505  HA  LEU   281      13.915  36.523  43.151  0.00  0.00           H  
-ATOM   4506  CB  LEU   281      14.640  35.160  41.698  0.00  0.00           C  
-ATOM   4507  HB2 LEU   281      14.258  34.394  41.023  0.00  0.00           H  
-ATOM   4508  HB3 LEU   281      15.137  35.895  41.065  0.00  0.00           H  
-ATOM   4509  CG  LEU   281      15.658  34.515  42.680  0.00  0.00           C  
-ATOM   4510  HG  LEU   281      15.180  33.852  43.402  0.00  0.00           H  
-ATOM   4511  CD1 LEU   281      16.550  33.623  41.859  0.00  0.00           C  
-ATOM   4512 HD11 LEU   281      17.308  33.053  42.396  0.00  0.00           H  
-ATOM   4513 HD12 LEU   281      15.968  32.901  41.284  0.00  0.00           H  
-ATOM   4514 HD13 LEU   281      17.082  34.252  41.146  0.00  0.00           H  
-ATOM   4515  CD2 LEU   281      16.518  35.567  43.263  0.00  0.00           C  
-ATOM   4516 HD21 LEU   281      15.938  36.124  43.999  0.00  0.00           H  
-ATOM   4517 HD22 LEU   281      17.319  34.989  43.724  0.00  0.00           H  
-ATOM   4518 HD23 LEU   281      16.865  36.261  42.497  0.00  0.00           H  
-ATOM   4519  C   LEU   281      12.756  36.858  41.478  0.00  0.00           C  
-ATOM   4520  O   LEU   281      13.037  38.062  41.555  0.00  0.00           O  
-ATOM   4521  N   LYS   282      11.779  36.344  40.698  0.00  0.00           N  
-ATOM   4522  H   LYS   282      11.638  35.348  40.609  0.00  0.00           H  
-ATOM   4523  CA  LYS   282      10.867  37.162  39.758  0.00  0.00           C  
-ATOM   4524  HA  LYS   282      11.476  37.821  39.139  0.00  0.00           H  
-ATOM   4525  CB  LYS   282      10.139  36.241  38.760  0.00  0.00           C  
-ATOM   4526  HB2 LYS   282      10.863  35.523  38.376  0.00  0.00           H  
-ATOM   4527  HB3 LYS   282       9.494  35.585  39.344  0.00  0.00           H  
-ATOM   4528  CG  LYS   282       9.420  36.825  37.584  0.00  0.00           C  
-ATOM   4529  HG2 LYS   282       8.594  37.496  37.822  0.00  0.00           H  
-ATOM   4530  HG3 LYS   282      10.202  37.456  37.162  0.00  0.00           H  
-ATOM   4531  CD  LYS   282       9.034  35.781  36.482  0.00  0.00           C  
-ATOM   4532  HD2 LYS   282       9.926  35.174  36.330  0.00  0.00           H  
-ATOM   4533  HD3 LYS   282       8.325  35.078  36.920  0.00  0.00           H  
-ATOM   4534  CE  LYS   282       8.441  36.311  35.163  0.00  0.00           C  
-ATOM   4535  HE2 LYS   282       9.148  37.090  34.878  0.00  0.00           H  
-ATOM   4536  HE3 LYS   282       8.542  35.527  34.413  0.00  0.00           H  
-ATOM   4537  NZ  LYS   282       7.036  36.822  35.331  0.00  0.00           N  
-ATOM   4538  HZ1 LYS   282       6.971  37.474  36.100  0.00  0.00           H  
-ATOM   4539  HZ2 LYS   282       6.577  37.157  34.496  0.00  0.00           H  
-ATOM   4540  HZ3 LYS   282       6.531  36.030  35.704  0.00  0.00           H  
-ATOM   4541  C   LYS   282       9.902  38.075  40.582  0.00  0.00           C  
-ATOM   4542  O   LYS   282       9.739  39.231  40.156  0.00  0.00           O  
-ATOM   4543  N   THR   283       9.312  37.575  41.682  0.00  0.00           N  
-ATOM   4544  H   THR   283       9.474  36.604  41.911  0.00  0.00           H  
-ATOM   4545  CA  THR   283       8.346  38.337  42.560  0.00  0.00           C  
-ATOM   4546  HA  THR   283       7.670  38.919  41.933  0.00  0.00           H  
-ATOM   4547  CB  THR   283       7.425  37.460  43.483  0.00  0.00           C  
-ATOM   4548  HB  THR   283       6.863  38.106  44.157  0.00  0.00           H  
-ATOM   4549  CG2 THR   283       6.477  36.613  42.654  0.00  0.00           C  
-ATOM   4550 HG21 THR   283       6.942  36.320  41.713  0.00  0.00           H  
-ATOM   4551 HG22 THR   283       6.135  35.731  43.195  0.00  0.00           H  
-ATOM   4552 HG23 THR   283       5.602  37.259  42.576  0.00  0.00           H  
-ATOM   4553  OG1 THR   283       8.124  36.627  44.280  0.00  0.00           O  
-ATOM   4554  HG1 THR   283       8.383  35.821  43.826  0.00  0.00           H  
-ATOM   4555  C   THR   283       9.023  39.402  43.390  0.00  0.00           C  
-ATOM   4556  O   THR   283       8.524  40.505  43.570  0.00  0.00           O  
-ATOM   4557  N   VAL   284      10.309  39.229  43.747  0.00  0.00           N  
-ATOM   4558  H   VAL   284      10.691  38.296  43.682  0.00  0.00           H  
-ATOM   4559  CA  VAL   284      11.116  40.275  44.409  0.00  0.00           C  
-ATOM   4560  HA  VAL   284      10.428  40.819  45.057  0.00  0.00           H  
-ATOM   4561  CB  VAL   284      12.207  39.809  45.425  0.00  0.00           C  
-ATOM   4562  HB  VAL   284      12.916  39.344  44.740  0.00  0.00           H  
-ATOM   4563  CG1 VAL   284      13.077  40.770  46.200  0.00  0.00           C  
-ATOM   4564 HG11 VAL   284      13.841  40.131  46.642  0.00  0.00           H  
-ATOM   4565 HG12 VAL   284      13.531  41.602  45.661  0.00  0.00           H  
-ATOM   4566 HG13 VAL   284      12.537  41.262  47.010  0.00  0.00           H  
-ATOM   4567  CG2 VAL   284      11.612  38.858  46.456  0.00  0.00           C  
-ATOM   4568 HG21 VAL   284      12.304  38.744  47.290  0.00  0.00           H  
-ATOM   4569 HG22 VAL   284      10.716  39.226  46.954  0.00  0.00           H  
-ATOM   4570 HG23 VAL   284      11.416  37.894  45.986  0.00  0.00           H  
-ATOM   4571  C   VAL   284      11.696  41.293  43.427  0.00  0.00           C  
-ATOM   4572  O   VAL   284      11.516  42.487  43.671  0.00  0.00           O  
-ATOM   4573  N   HID   285      12.146  40.916  42.208  0.00  0.00           N  
-ATOM   4574  H   HID   285      12.344  39.927  42.142  0.00  0.00           H  
-ATOM   4575  CA  HID   285      12.292  41.695  40.967  0.00  0.00           C  
-ATOM   4576  HA  HID   285      13.122  42.389  41.097  0.00  0.00           H  
-ATOM   4577  CB  HID   285      12.649  40.823  39.731  0.00  0.00           C  
-ATOM   4578  HB2 HID   285      13.730  40.841  39.592  0.00  0.00           H  
-ATOM   4579  HB3 HID   285      12.230  39.828  39.880  0.00  0.00           H  
-ATOM   4580  CG  HID   285      12.204  41.274  38.365  0.00  0.00           C  
-ATOM   4581  ND1 HID   285      12.907  42.183  37.561  0.00  0.00           N  
-ATOM   4582  HD1 HID   285      13.672  42.784  37.830  0.00  0.00           H  
-ATOM   4583  CE1 HID   285      12.341  42.186  36.334  0.00  0.00           C  
-ATOM   4584  HE1 HID   285      12.593  42.831  35.506  0.00  0.00           H  
-ATOM   4585  NE2 HID   285      11.279  41.357  36.369  0.00  0.00           N  
-ATOM   4586  CD2 HID   285      11.214  40.765  37.612  0.00  0.00           C  
-ATOM   4587  HD2 HID   285      10.396  40.141  37.943  0.00  0.00           H  
-ATOM   4588  C   HID   285      11.037  42.601  40.810  0.00  0.00           C  
-ATOM   4589  O   HID   285      11.122  43.797  40.779  0.00  0.00           O  
-ATOM   4590  N   GLU   286       9.889  41.934  40.587  0.00  0.00           N  
-ATOM   4591  H   GLU   286       9.863  40.925  40.551  0.00  0.00           H  
-ATOM   4592  CA  GLU   286       8.685  42.654  40.247  0.00  0.00           C  
-ATOM   4593  HA  GLU   286       8.993  43.203  39.357  0.00  0.00           H  
-ATOM   4594  CB  GLU   286       7.579  41.651  39.794  0.00  0.00           C  
-ATOM   4595  HB2 GLU   286       7.976  41.163  38.904  0.00  0.00           H  
-ATOM   4596  HB3 GLU   286       7.393  40.932  40.592  0.00  0.00           H  
-ATOM   4597  CG  GLU   286       6.154  42.142  39.571  0.00  0.00           C  
-ATOM   4598  HG2 GLU   286       5.384  41.428  39.280  0.00  0.00           H  
-ATOM   4599  HG3 GLU   286       5.722  42.536  40.491  0.00  0.00           H  
-ATOM   4600  CD  GLU   286       6.074  43.254  38.493  0.00  0.00           C  
-ATOM   4601  OE1 GLU   286       6.939  43.259  37.576  0.00  0.00           O  
-ATOM   4602  OE2 GLU   286       5.053  43.999  38.512  0.00  0.00           O  
-ATOM   4603  C   GLU   286       8.214  43.614  41.381  0.00  0.00           C  
-ATOM   4604  O   GLU   286       7.693  44.703  41.092  0.00  0.00           O  
-ATOM   4605  N   LYS   287       8.461  43.296  42.597  0.00  0.00           N  
-ATOM   4606  H   LYS   287       9.011  42.484  42.836  0.00  0.00           H  
-ATOM   4607  CA  LYS   287       8.126  44.141  43.845  0.00  0.00           C  
-ATOM   4608  HA  LYS   287       7.084  44.458  43.795  0.00  0.00           H  
-ATOM   4609  CB  LYS   287       8.479  43.464  45.193  0.00  0.00           C  
-ATOM   4610  HB2 LYS   287       7.892  42.557  45.337  0.00  0.00           H  
-ATOM   4611  HB3 LYS   287       9.494  43.101  45.028  0.00  0.00           H  
-ATOM   4612  CG  LYS   287       8.422  44.350  46.538  0.00  0.00           C  
-ATOM   4613  HG2 LYS   287       9.107  45.198  46.556  0.00  0.00           H  
-ATOM   4614  HG3 LYS   287       7.416  44.722  46.729  0.00  0.00           H  
-ATOM   4615  CD  LYS   287       8.830  43.521  47.782  0.00  0.00           C  
-ATOM   4616  HD2 LYS   287       8.362  42.539  47.705  0.00  0.00           H  
-ATOM   4617  HD3 LYS   287       9.919  43.540  47.743  0.00  0.00           H  
-ATOM   4618  CE  LYS   287       8.454  44.322  49.047  0.00  0.00           C  
-ATOM   4619  HE2 LYS   287       8.966  45.279  48.953  0.00  0.00           H  
-ATOM   4620  HE3 LYS   287       7.367  44.404  49.061  0.00  0.00           H  
-ATOM   4621  NZ  LYS   287       8.985  43.742  50.237  0.00  0.00           N  
-ATOM   4622  HZ1 LYS   287       8.593  42.812  50.194  0.00  0.00           H  
-ATOM   4623  HZ2 LYS   287       9.965  43.566  50.068  0.00  0.00           H  
-ATOM   4624  HZ3 LYS   287       8.699  44.277  51.044  0.00  0.00           H  
-ATOM   4625  C   LYS   287       8.953  45.408  43.782  0.00  0.00           C  
-ATOM   4626  O   LYS   287       8.466  46.452  44.219  0.00  0.00           O  
-ATOM   4627  N   TYR   288      10.169  45.389  43.219  0.00  0.00           N  
-ATOM   4628  H   TYR   288      10.516  44.511  42.861  0.00  0.00           H  
-ATOM   4629  CA  TYR   288      11.028  46.596  43.154  0.00  0.00           C  
-ATOM   4630  HA  TYR   288      10.520  47.357  43.747  0.00  0.00           H  
-ATOM   4631  CB  TYR   288      12.344  46.235  43.798  0.00  0.00           C  
-ATOM   4632  HB2 TYR   288      12.880  45.425  43.304  0.00  0.00           H  
-ATOM   4633  HB3 TYR   288      13.016  47.046  43.518  0.00  0.00           H  
-ATOM   4634  CG  TYR   288      12.291  45.982  45.236  0.00  0.00           C  
-ATOM   4635  CD1 TYR   288      12.166  47.069  46.136  0.00  0.00           C  
-ATOM   4636  HD1 TYR   288      12.028  48.071  45.757  0.00  0.00           H  
-ATOM   4637  CE1 TYR   288      12.311  46.830  47.548  0.00  0.00           C  
-ATOM   4638  HE1 TYR   288      12.117  47.648  48.225  0.00  0.00           H  
-ATOM   4639  CZ  TYR   288      12.350  45.536  48.079  0.00  0.00           C  
-ATOM   4640  OH  TYR   288      12.451  45.285  49.458  0.00  0.00           O  
-ATOM   4641  HH  TYR   288      12.259  44.368  49.665  0.00  0.00           H  
-ATOM   4642  CE2 TYR   288      12.444  44.487  47.173  0.00  0.00           C  
-ATOM   4643  HE2 TYR   288      12.686  43.497  47.530  0.00  0.00           H  
-ATOM   4644  CD2 TYR   288      12.424  44.655  45.769  0.00  0.00           C  
-ATOM   4645  HD2 TYR   288      12.470  43.840  45.061  0.00  0.00           H  
-ATOM   4646  C   TYR   288      11.149  47.059  41.694  0.00  0.00           C  
-ATOM   4647  O   TYR   288      12.161  47.796  41.379  0.00  0.00           O  
-ATOM   4648  N   GLN   289      10.244  46.636  40.772  0.00  0.00           N  
-ATOM   4649  H   GLN   289       9.571  45.936  41.049  0.00  0.00           H  
-ATOM   4650  CA  GLN   289      10.171  47.050  39.326  0.00  0.00           C  
-ATOM   4651  HA  GLN   289      10.969  46.517  38.808  0.00  0.00           H  
-ATOM   4652  CB  GLN   289       8.902  46.574  38.616  0.00  0.00           C  
-ATOM   4653  HB2 GLN   289       8.558  45.636  39.051  0.00  0.00           H  
-ATOM   4654  HB3 GLN   289       8.103  47.280  38.844  0.00  0.00           H  
-ATOM   4655  CG  GLN   289       8.937  46.444  37.073  0.00  0.00           C  
-ATOM   4656  HG2 GLN   289       7.956  46.235  36.648  0.00  0.00           H  
-ATOM   4657  HG3 GLN   289       9.257  47.371  36.597  0.00  0.00           H  
-ATOM   4658  CD  GLN   289       9.838  45.229  36.629  0.00  0.00           C  
-ATOM   4659  OE1 GLN   289      10.945  45.388  36.034  0.00  0.00           O  
-ATOM   4660  NE2 GLN   289       9.584  43.960  36.980  0.00  0.00           N  
-ATOM   4661 HE21 GLN   289       8.669  43.772  37.364  0.00  0.00           H  
-ATOM   4662 HE22 GLN   289      10.168  43.209  36.641  0.00  0.00           H  
-ATOM   4663  C   GLN   289      10.320  48.599  39.086  0.00  0.00           C  
-ATOM   4664  O   GLN   289      11.101  49.106  38.301  0.00  0.00           O  
-ATOM   4665  N   NME   290       9.526  49.385  39.902  0.00  0.00           N  
-ATOM   4666  H   NME   290       8.999  48.964  40.653  0.00  0.00           H  
-ATOM   4667  CH3 NME   290       9.650  50.831  40.033  0.00  0.00           C  
-ATOM   4668 HH31 NME   290       9.171  51.018  40.995  0.00  0.00           H  
-ATOM   4669 HH32 NME   290      10.706  51.083  40.136  0.00  0.00           H  
-ATOM   4670 HH33 NME   290       9.113  51.282  39.199  0.00  0.00           H  
-END                                                                             
diff --git a/examples/protein-ligand/cli/protein-ligand.yaml b/examples/protein-ligand/cli/protein-ligand.yaml
deleted file mode 100644
index 16ea5b4d1..000000000
--- a/examples/protein-ligand/cli/protein-ligand.yaml
+++ /dev/null
@@ -1,79 +0,0 @@
-#provide the full path of the protein PDB file
-protein_pdb: Tyk2_protein.pdb
-#provide the path to the ligand file with coordinates
-ligand_file: Tyk2_ligands_shifted.sdf 
-
-#The ligand file contains multiple ligands. Choose the indices of the ligands
-#between which we should compute a relative free energy
-old_ligand_index: 0
-new_ligand_index: 3
-
-# OpenMM ffxml force field files installed via the openmm-forcefields package
-# for biopolymers and solvents.
-# Note that small molecule force field files should NOT be included here.
-forcefield_files:
-    - amber/ff14SB.xml # ff14SB protein force field
-    - amber/tip3p_standard.xml # TIP3P and recommended monovalent ion parameters
-    - amber/tip3p_HFE_multivalent.xml # for divalent ions
-    - amber/phosaa10.xml # HANDLES THE TPO
-
-# Small molecule force field
-# We recommnd one of ['gaff-1.81', 'gaff-2.11', 'smirnoff99Frosst-1.1.0', 'openff-2.0.0']
-small_molecule_forcefield: openff-2.0.0 
-
-#the temperature and pressure of the simulation, as well as how much solvent paddding to add
-#units:
-#pressure: atm
-#temperature: Kelvin
-#padding: angstroms
-pressure: 1.0
-temperature: 300.0
-solvent_padding: 9.0
-
-atom_expression:
-    - IntType
-bond_expession:
-    - DefaultBonds
-
-#number of equilibrium steps per move application
-n_steps_per_move_application: 1
-
-#the type of free energy calculation.
-#currently, this could be either nonequilibrium, sams or repex
-fe_type: repex 
-
-#checkpoint interval in iterations:
-checkpoint_interval: 50 
-
-#number of iterations
-n_cycles: 4
-
-#The number of SAMS states
-n_states: 3
-
-#the number of equilibration iterations:
-n_equilibration_iterations: 0
-
-#where to put the trajectories
-trajectory_directory: temp/offlig10to24 
-
-#how to prefix the trajectory files (project-specific name)
-trajectory_prefix: out 
-
-#which atoms to save (MDTraj selection syntax)
-atom_selection: not water 
-
-#which phases do we want to run. Any combination or number of complex, solvent or vacuum will be accepted 
-phases:
-    - vacuum
-    - solvent
-    - complex
-
-#timestep in fs
-timestep: 4.
-
-# Interval in iterations to use for offline real time analysis
-offline-freq: 2
-
-# Create unsampled endstates for long-range sterics correction
-unsampled_endstates: True
diff --git a/perses/analysis/analysis.py b/perses/analysis/analysis.py
index 4a05a62d6..0c0b7d769 100644
--- a/perses/analysis/analysis.py
+++ b/perses/analysis/analysis.py
@@ -15,7 +15,7 @@
 
 import numpy as np
 import itertools
-import pymbar
+from openmmtools.multistate.pymbar import _pymbar_bar
 from perses import storage
 import seaborn as sns
 
@@ -203,7 +203,7 @@ def get_free_energies(self, environment):
                 resampled_w_F = np.random.choice(w_F, len(w_F), replace=True)
                 resampled_w_R = np.random.choice(w_R, len(w_R), replace=True)
 
-                [df, ddf] = pymbar.BAR(resampled_w_F, resampled_w_R)
+                [df, ddf] = _pymbar_bar(resampled_w_F, resampled_w_R)
                 bootstrapped_bar[i] = df
 
             free_energies[state_pair] = [np.mean(bootstrapped_bar), np.std(bootstrapped_bar)]
diff --git a/perses/analysis/fah_analysis.py b/perses/analysis/fah_analysis.py
index 0025e9688..83ac0bc62 100644
--- a/perses/analysis/fah_analysis.py
+++ b/perses/analysis/fah_analysis.py
@@ -2,7 +2,7 @@
 import numpy as np
 import pandas as pd
 import seaborn as sns
-from pymbar import BAR
+from openmmtools.multistate.pymbar import _pymbar_bar
 import matplotlib.pyplot as plt
 import seaborn
 from simtk.openmm import unit
@@ -160,7 +160,7 @@ def _bootstrap_BAR(run, phase, gen_id, n_bootstrap):
                 f"less than {min_num_work_values} reverse work values (got {len(r_works)})"
             )
 
-        fe, err = bootstrap_uncorrelated(BAR, n_iters=n_bootstrap)(
+        fe, err = bootstrap_uncorrelated(_pymbar_bar, n_iters=n_bootstrap)(
             f_works.values, r_works.values
         )
 
@@ -227,7 +227,7 @@ def _process_phase(i, phase):
             axes[i].set_title(phase)
 
             # TODO add bootstrapping here
-            d[f"{phase}_fes"] = BAR(np.asarray(all_forward), np.asarray(all_reverse))
+            d[f"{phase}_fes"] = _pymbar_bar(np.asarray(all_forward), np.asarray(all_reverse))
 
         for i, phase in enumerate(projects.keys()):
             try:
diff --git a/perses/annihilation/relative.py b/perses/annihilation/relative.py
index 3f69f07aa..5b7f5ff96 100644
--- a/perses/annihilation/relative.py
+++ b/perses/annihilation/relative.py
@@ -254,14 +254,14 @@ def __init__(self,
         _logger.info("Adding and mapping old atoms to hybrid system...")
         for particle_idx in range(self._topology_proposal.n_atoms_old):
             particle_mass_old = self._old_system.getParticleMass(particle_idx)
-            
+
             if particle_idx in self._topology_proposal.old_to_new_atom_map.keys():
                 particle_index_in_new_system = self._topology_proposal.old_to_new_atom_map[particle_idx]
                 particle_mass_new = self._new_system.getParticleMass(particle_index_in_new_system)
                 particle_mass = (particle_mass_old + particle_mass_new) / 2 # Take the average of the masses if the atom is mapped
             else:
                 particle_mass = particle_mass_old
-            
+
             hybrid_idx = self._hybrid_system.addParticle(particle_mass)
             self._old_to_hybrid_map[particle_idx] = hybrid_idx
 
@@ -758,22 +758,20 @@ def _add_nonbonded_force_terms(self, add_custom_sterics_force=True):
         # Create a CustomNonbondedForce to handle alchemically interpolated nonbonded parameters.
         # Select functional form based on nonbonded method.
         # TODO: check _nonbonded_custom_ewald and _nonbonded_custom_cutoff since they take arguments that are never used...
+        r_cutoff = self._old_system_forces['NonbondedForce'].getCutoffDistance()
+        sterics_energy_expression = self._nonbonded_custom(self._softcore_LJ_v2)
         if self._nonbonded_method in [openmm.NonbondedForce.NoCutoff]:
             _logger.info("\t_add_nonbonded_force_terms: nonbonded_method is NoCutoff")
             sterics_energy_expression = self._nonbonded_custom(self._softcore_LJ_v2)
         elif self._nonbonded_method in [openmm.NonbondedForce.CutoffPeriodic, openmm.NonbondedForce.CutoffNonPeriodic]:
             _logger.info("\t_add_nonbonded_force_terms: nonbonded_method is Cutoff(Periodic or NonPeriodic)")
             epsilon_solvent = self._old_system_forces['NonbondedForce'].getReactionFieldDielectric()
-            r_cutoff = self._old_system_forces['NonbondedForce'].getCutoffDistance()
-            sterics_energy_expression = self._nonbonded_custom(self._softcore_LJ_v2)
             standard_nonbonded_force.setReactionFieldDielectric(epsilon_solvent)
             standard_nonbonded_force.setCutoffDistance(r_cutoff)
         elif self._nonbonded_method in [openmm.NonbondedForce.PME, openmm.NonbondedForce.Ewald]:
             _logger.info("\t_add_nonbonded_force_terms: nonbonded_method is PME or Ewald")
             [alpha_ewald, nx, ny, nz] = self._old_system_forces['NonbondedForce'].getPMEParameters()
             delta = self._old_system_forces['NonbondedForce'].getEwaldErrorTolerance()
-            r_cutoff = self._old_system_forces['NonbondedForce'].getCutoffDistance()
-            sterics_energy_expression = self._nonbonded_custom(self._softcore_LJ_v2)
             standard_nonbonded_force.setPMEParameters(alpha_ewald, nx, ny, nz)
             standard_nonbonded_force.setEwaldErrorTolerance(delta)
             standard_nonbonded_force.setCutoffDistance(r_cutoff)
@@ -798,8 +796,10 @@ def _add_nonbonded_force_terms(self, add_custom_sterics_force=True):
                 raise e
 
         sterics_custom_nonbonded_force = openmm.CustomNonbondedForce(total_sterics_energy)
+        sterics_custom_nonbonded_force.setCutoffDistance(r_cutoff)  # Match cutoff from non-custom NB forces
         if self._softcore_LJ_v2:
             sterics_custom_nonbonded_force.addGlobalParameter("softcore_alpha", self._softcore_LJ_v2_alpha)
+
         else:
             sterics_custom_nonbonded_force.addGlobalParameter("softcore_alpha", self.softcore_alpha)
 
@@ -1834,7 +1834,7 @@ def handle_old_new_exceptions(self):
 
 
         nonbonded_exceptions_force = openmm.CustomBondForce(old_new_nonbonded_exceptions)
-        name = f"{nonbonded_exceptions_force.__class__.__name__}_exceptions"        
+        name = f"{nonbonded_exceptions_force.__class__.__name__}_exceptions"
         nonbonded_exceptions_force.setName(name)
         self._hybrid_system.addForce(nonbonded_exceptions_force)
         _logger.debug(f"\thandle_old_new_exceptions: {nonbonded_exceptions_force} added to hybrid system")
@@ -2745,7 +2745,7 @@ class RESTCapableHybridTopologyFactory(HybridTopologyFactory):
     - is_rest - indicates whether the atom is in the rest region (1), otherwise 0
     - is_nonrest_solute - indicates whether the atom is outside the rest region and is solute (1), otherwise 0
     - is_nonrest_solvent - indicates whether the atom is outside the rest region and is solvent (1), otherwise 0
-    These per particle parameters are defined to allow for scaling of rest-solvent interactions by beta/beta0, if desired. 
+    These per particle parameters are defined to allow for scaling of rest-solvent interactions by beta/beta0, if desired.
     If the scaling of rest-solvent interactions is desired, the functional form will need to be changed.
 
     In order to avoid singularities in the alchemical region (specifically in interactions of unique old/new atoms),
@@ -2774,11 +2774,11 @@ class RESTCapableHybridTopologyFactory(HybridTopologyFactory):
     _default_exceptions_expression_list : list of str
         strings that will form the custom expression that will be used to create the CustomBondForce for exceptions
     _default_electrostatics_expression : str
-        the custom expression that will be used to create the CustomNonbondedForce for electrostatics (created from joining the corresponding list of strings) 
+        the custom expression that will be used to create the CustomNonbondedForce for electrostatics (created from joining the corresponding list of strings)
     _default_sterics_expression : str
         the custom expression that will be used to create the CustomNonbondedForce for sterics (created from joining the corresponding list of strings)
     _default_exceptions_expression : str
-        the custom expression that will be used to create the CustomBondForce for exceptions (created from joining the corresponding list of strings)   
+        the custom expression that will be used to create the CustomBondForce for exceptions (created from joining the corresponding list of strings)
     _topology_proposal : perses.rjmc.topology_proposal.TopologyProposal
         topology proposal of the old-to-new transformation
     _old_system : openmm.System
@@ -2819,7 +2819,7 @@ class RESTCapableHybridTopologyFactory(HybridTopologyFactory):
         key: name of the atom class (unique_old_atoms, unique_new_atoms, core_atoms, environment_atoms)
         value: set of (hybrid-indexed) atoms in the atom class
     _hybrid_positions : [l,3] np.ndarray of float
-        positions of coordinates of hybrid system, where l is the number of atoms in the hybrid system 
+        positions of coordinates of hybrid system, where l is the number of atoms in the hybrid system
     _hybrid_topology : mdtraj.Topology
         topology for the hybrid system
     _rest_radius : float
@@ -2828,12 +2828,12 @@ class RESTCapableHybridTopologyFactory(HybridTopologyFactory):
         list of (hybrid-indexed) atoms that should be considered as part of the rest region
     _atom_idx_to_object : dict of key: int, value: openmm or mtraj atom object
         key: hybrid system index for the atom, value: openmm.app.topology.Atom or mdtraj.topology.Atom object (depending on what class type self._hybrid_topology is)
-    _old_system_exceptions : dict of key: tuple of ints, value: list of floats 
+    _old_system_exceptions : dict of key: tuple of ints, value: list of floats
         key: old system indices of the atoms in the exception, value: chargeProd (units of the proton charge squared), sigma (nm), and epsilon (kJ/mol) for the exception
     _new_system_exceptions : dict of key: tuple of ints, value: list of floats
         key: new system indices of the atoms in the exception, value: chargeProd (units of the proton charge squared), sigma (nm), and epsilon (kJ/mol) for the exception
     """
-    
+
     # Constants copied from: https://github.com/openmm/openmm/blob/master/platforms/reference/include/SimTKOpenMMRealType.h#L89. These will be imported directly once we have addresssed https://github.com/choderalab/openmmtools/issues/522
     M_PI = 3.14159265358979323846
     E_CHARGE = (1.602176634e-19)
@@ -3200,7 +3200,7 @@ def __init__(self,
     def _generate_rest_region(self):
         """
         Generate rest region.
-        
+
         Returns
         -------
         rest_atoms
@@ -3309,28 +3309,26 @@ def _is_solvent(particle_index, positive_ion_name="NA", negative_ion_name="CL",
             else:
                 return False
 
-        assert type(particles) in [type(set()), int], f"`particles` must be an integer or a set, got {type(particles)}."
-
         if isinstance(particles, int):
-            rest_id = [0, 1, 0] # Set the default scale_id to nonrest solute
+            rest_id = [0, 1, 0] # Set the default rest_id to nonrest solute
             if not self._rest_region:
-                return rest_id  # If there are no rest regions, set everything as nonrest_solute bc these atoms are not scaled
+                return rest_id
             else:
-                if particles in self._rest_region: # Here, particles is a single int
+                if particles in self._rest_region: # The particle is in the REST region
                     rest_id = [1, 0, 0]
-                elif _is_solvent(particles): # If the particle is not in a rest region, check if it is a solvent atom
+                elif _is_solvent(particles): # The particle is a non-rest solvent atom
                     rest_id = [0, 0, 1]
                 return rest_id
 
         elif isinstance(particles, set):
-            rest_id = [0, 0, 1] # Set the default scale_id to nonrest solute
+            rest_id = [0, 0, 1] # Set the default rest_id to nonrest solute
             if not self._rest_region:
-                return rest_id # If there are no scale regions, set everything as nonrest bc these atoms are not scaled
+                return rest_id
             else:
-                if particles.intersection(self._rest_region) != set(): # At least one of the particles is in the idx_th rest region
-                    if particles.issubset(self._rest_region): # Then this term is wholly in the rest region
+                if particles.intersection(self._rest_region) != set(): # At least one of the particles is in the rest region
+                    if particles.issubset(self._rest_region): # All particles are in the rest region
                         rest_id = [1, 0, 0]
-                    else: # It is inter region
+                    else: # At least one (but not all) particles are in the rest region
                         rest_id = [0, 1, 0]
                 return rest_id
 
@@ -3440,8 +3438,8 @@ def _create_bond_force(self):
         custom_bond_force.addPerBondParameter('is_unique_new')
 
         # Add per-bond parameters for defining energy
-        custom_bond_force.addPerBondParameter('length_old')  # old bond length
-        custom_bond_force.addPerBondParameter('length_new')  # new bond length
+        custom_bond_force.addPerBondParameter('length_old')  # old equilibrium bond length
+        custom_bond_force.addPerBondParameter('length_new')  # new equilibrium bond length
         custom_bond_force.addPerBondParameter('K_old')  # old spring constant
         custom_bond_force.addPerBondParameter('K_new')  # new spring constant
 
@@ -3494,7 +3492,7 @@ def _copy_bonds(self):
             rest_id = self.get_rest_identifier(idx_set)
             alch_id, atom_class = self.get_alch_identifier(idx_set)
 
-            # Get the old terms and if they exist, the old terms
+            # Get the old terms and if they exist, the new terms
             old_bond_idx, r0_old, k_old = old_term_collector[hybrid_index_pair]
             try:
                 new_bond_idx, r0_new, k_new = new_term_collector[hybrid_index_pair]
@@ -3586,8 +3584,8 @@ def _create_angle_force(self):
         custom_angle_force.addPerAngleParameter('is_unique_new')
 
         # Add per-angle parameters for defining energy
-        custom_angle_force.addPerAngleParameter('theta0_old')  # old angle length
-        custom_angle_force.addPerAngleParameter('theta0_new')  # new angle length
+        custom_angle_force.addPerAngleParameter('theta0_old')  # old equilibrium angle
+        custom_angle_force.addPerAngleParameter('theta0_new')  # new equilibrium angle
         custom_angle_force.addPerAngleParameter('K_old')  # old spring constant
         custom_angle_force.addPerAngleParameter('K_new')  # new spring constant
 
@@ -3837,7 +3835,7 @@ def _copy_torsions(self):
 
         # Now iterate over the new term collector and add appropriate torsions.
         for new_torsion_idx in range(new_system_torsion_force.getNumTorsions()):
- 
+
             # Get new terms and hybrid indices
             p1, p2, p3, p4, periodicity_new, phase_new, K_new = new_system_torsion_force.getTorsionParameters(new_torsion_idx)  # Grab the parameters
             hybrid_p1, hybrid_p2, hybrid_p3, hybrid_p4 = self._new_to_hybrid_map[p1], self._new_to_hybrid_map[p2], self._new_to_hybrid_map[p3], self._new_to_hybrid_map[p4] # Get hybrid indices
diff --git a/perses/app/cli.py b/perses/app/cli.py
index a94cebf9c..be003cc66 100644
--- a/perses/app/cli.py
+++ b/perses/app/cli.py
@@ -88,12 +88,14 @@ def _test_platform(platform_name):
 def cli(yaml, platform_name, override):
     """Run perses relative free energy calculation."""
     from perses.app.setup_relative_calculation import run
+    from perses import __version__ as perses_version
     logging.basicConfig(
         format="%(asctime)s %(levelname)-8s %(message)s",
         level=LOGLEVEL,
         datefmt="%Y-%m-%d %H:%M:%S",
     )
     click.echo(click.style(percy, fg="bright_magenta"))
+    click.echo(f"Running perses version: {perses_version}")
     if override:
         click.echo("✍️ \t Overrides used")
     click.echo("🕵️\t Checking OpenEye license")
diff --git a/perses/app/relative_hydration.py b/perses/app/relative_hydration.py
index b0b29cc89..a92d20608 100644
--- a/perses/app/relative_hydration.py
+++ b/perses/app/relative_hydration.py
@@ -108,11 +108,11 @@ def check_alchemical_hybrid_elimination_bar(topology_proposal, old_positions, ne
         bar.update(i)
     del reverse_context, reverse_integrator
 
-    from pymbar import BAR
-    [df, ddf] = BAR(w_f, w_r)
+    from openmmtools.multistate.pymbar import _pymbar_bar
+    [df, ddf] = _pymbar_bar(w_f, w_r)
     print("df = %12.6f +- %12.5f kT" % (df, ddf))
 
 
 if __name__=="__main__":
     topology_proposal, old_positions, new_positions = generate_solvated_hybrid_test_topology()
-    check_alchemical_hybrid_elimination_bar(topology_proposal, old_positions, new_positions, ncmc_nsteps=100, n_iterations=500)
\ No newline at end of file
+    check_alchemical_hybrid_elimination_bar(topology_proposal, old_positions, new_positions, ncmc_nsteps=100, n_iterations=500)
diff --git a/perses/app/relative_setup.py b/perses/app/relative_setup.py
index a830e9986..434fc8de8 100644
--- a/perses/app/relative_setup.py
+++ b/perses/app/relative_setup.py
@@ -9,7 +9,7 @@
 
 from openmmtools.states import ThermodynamicState, CompoundThermodynamicState, SamplerState
 
-import pymbar
+from openmmtools.multistate.pymbar import _pymbar_bar, _pymbar_exp, detect_equilibration
 from cloudpathlib import AnyPath
 import simtk.openmm as openmm
 import simtk.openmm.app as app
@@ -326,12 +326,6 @@ def __init__(self,
         self._ligand_md_topology_new = md.Topology.from_openmm(self._ligand_topology_new)
         _logger.info(f"Created mdtraj topologies for both ligands.")
 
-        # We must generate the complex topology and positions before the SystemGenerator is created because if the
-        # receptor is a mol2, it must be added to mol_list, which is use to create self._molecules, which is fed to the SystemGenerator
-        if 'complex' in phases:
-            _logger.info(f"setting up complex phase...")
-            self._setup_complex_phase()
-
         # Select barostat
         NONPERIODIC_NONBONDED_METHODS = [app.NoCutoff, app.CutoffNonPeriodic]
         if pressure is not None:
@@ -365,7 +359,7 @@ def __init__(self,
                 spectator_mol = generate_unique_atom_names(spectator_mol)
                 self._spectator_molecules.append(spectator_mol)
                 # add this to a small molecule register
-                self._molecules.append(Molecule.from_openeye(spectator_mol,allow_undefined_stereo=True))
+                molecules.append(Molecule.from_openeye(spectator_mol, allow_undefined_stereo=True))
                 self._spectator_positions.append(extractPositionsFromOEMol(spectator_mol))
                 spectator_topology = forcefield_generators.generateTopologyFromOEMol(spectator_mol)
                 self._spectator_md_topologies.append(md.Topology.from_openmm(spectator_topology))
@@ -461,6 +455,9 @@ def __init__(self,
             else:
                 _logger.info("Skipping counterion")
 
+            # Store phase topology and positions in PDB file
+            self._store_phase_topologies(phase="complex")
+
 
         if 'solvent' in phases:
             _logger.info(f"Detected solvent...")
@@ -521,6 +518,9 @@ def __init__(self,
             else:
                 _logger.info("Skipping counterion")
 
+            # Store phase topology and positions in PDB file
+            self._store_phase_topologies(phase="solvent")
+
         if 'vacuum' in phases:
             _logger.info(f"Detected solvent...")
             # need to change nonbonded cutoff and remove barostat for vacuum leg
@@ -586,6 +586,8 @@ def __init__(self,
                 self._vacuum_forward_neglected_angles = self._geometry_engine.forward_neglected_angle_terms
                 self._vacuum_reverse_neglected_angles = self._geometry_engine.reverse_neglected_angle_terms
             self._vacuum_geometry_engine = copy.deepcopy(self._geometry_engine)
+            # Store phase topology and positions in PDB file
+            self._store_phase_topologies(phase="vacuum")
 
     def _setup_complex_phase(self):
         """
@@ -847,7 +849,6 @@ def _solvate_system(self, topology, positions, model='tip3p',phase='complex', bo
             The parameterized system, containing a barostat if one was specified.
         """
         # DEBUG: Write PDB file being fed into Modeller to check why MOL isn't being matched
-        from simtk.openmm.app import PDBFile
         modeller = app.Modeller(topology, positions)
         # retaining protein protonation from input files
         #hs = [atom for atom in modeller.topology.atoms() if atom.element.symbol in ['H'] and atom.residue.name not in ['MOL','OLD','NEW']]
@@ -881,13 +882,6 @@ def _solvate_system(self, topology, positions, model='tip3p',phase='complex', bo
         solvated_system = self._system_generator.create_system(solvated_topology)
         _logger.info(f"\tSystem parameterized")
 
-        if self._trajectory_directory is not None and self._trajectory_prefix is not None:
-            pdb_filename = AnyPath(f"{self._trajectory_directory}/{self._trajectory_prefix}-{phase}.pdb")
-            with open(pdb_filename, 'w') as outfile:
-                PDBFile.writeFile(solvated_topology, solvated_positions, outfile)
-        else:
-            _logger.info('Both trajectory_directory and trajectory_prefix need to be provided to save .pdb')
-
         return solvated_topology, solvated_positions, solvated_system
 
     def _handle_charge_changes(self, topology_proposal, new_positions):
@@ -922,6 +916,62 @@ def _handle_charge_changes(self, topology_proposal, new_positions):
             # modify the topology proposal
             modify_atom_classes(new_water_indices_to_ionize, topology_proposal)
 
+    def _store_phase_topologies(self, phase: str):
+        """
+        Stores topologies and positions in PDB file for the given the phase, for both the initial (old) and final (new)
+        states. Stores both solvent and solute whenever possible (only "solute" in vacuum).
+
+        Generates two PDB files, one for each state (old/new).
+
+        Notes
+        -----
+        - The topologies and positions are stored in the specified directory using the global trajectory prefix.
+        - The directory will be created if it doesn't already exist.
+        - The topologies and positions are stored as PDB files in the "models" subdirectory of the trajectory directory.
+        - Both the trajectory directory and trajectory prefix need to be provided in order to store the topologies.
+        - If any of the directories or files already exist, they will get overwritten.
+
+        Usage
+        -----
+        To store the topologies and positions, make sure to set the `trajectory_directory` and `trajectory_prefix`
+        attributes before calling this method.
+        """
+        from openmm.app import PDBFile
+        if self._trajectory_directory is not None and self._trajectory_prefix is not None:
+            if phase == "complex":
+                topology_proposal = self.complex_topology_proposal
+                old_positions = self.complex_old_positions
+                new_positions = self.complex_new_positions
+            elif phase == "solvent":
+                topology_proposal = self.solvent_topology_proposal
+                old_positions = self.solvent_old_positions
+                new_positions = self.solvent_new_positions
+            elif phase == "vacuum":
+                topology_proposal = self.vacuum_topology_proposal
+                old_positions = self.vacuum_old_positions
+                new_positions = self.vacuum_new_positions
+
+            topologies_to_store = {
+                f"{phase}_old": {"topology": topology_proposal.old_topology,
+                                "positions": old_positions},
+                f"{phase}_new": {"topology": topology_proposal.new_topology,
+                                "positions": new_positions},
+            }
+            # Store in "models" subdir -- create if doesn't exist
+            models_path = f"{self._trajectory_directory}/models"
+            if not os.path.exists(models_path):
+                os.makedirs(models_path)
+            for phase_key, phase_data in topologies_to_store.items():
+                pdb_filename = AnyPath(f"{models_path}/{self._trajectory_prefix}_{phase_key}.pdb")
+                with open(pdb_filename, 'w') as outfile:
+                    PDBFile.writeFile(phase_data["topology"], phase_data["positions"], outfile)
+        else:
+            _logger.warning(
+                'Not storing topologies. Both trajectory_directory and trajectory_prefix arguments need to'
+                ' be provided to store topology .pdb files.')
+
+
+
     @property
     def complex_topology_proposal(self):
         return self._complex_topology_proposal
@@ -1661,11 +1711,11 @@ def compute_sMC_free_energy(self):
         """
         for _direction, works in self._nonequilibrium_cumulative_work.items():
             if works is not None:
-                self.dg_EXP[_direction] = pymbar.EXP(works[:,-1])
+                self.dg_EXP[_direction] = _pymbar_exp(works[:,-1])
 
         if all(work is not None for work in self._nonequilibrium_cumulative_work.values()):
             #then we can compute a BAR estimate
-            self.dg_BAR = pymbar.BAR(self._nonequilibrium_cumulative_work['forward'][:,-1], self._nonequilibrium_cumulative_work['reverse'][:,-1])
+            self.dg_BAR = _pymbar_bar(self._nonequilibrium_cumulative_work['forward'][:,-1], self._nonequilibrium_cumulative_work['reverse'][:,-1])
 
 
     def attempt_resample(self, observable = 'ESS', resampling_method = 'multinomial', resample_observable_threshold = 0.5):
@@ -2096,7 +2146,7 @@ def _adjust_for_correlation(self, timeseries_array: np.array):
         Neff_max : float
             Max number of uncorrelated samples
         """
-        [t0, g, Neff_max] = pymbar.timeseries.detectEquilibration(timeseries_array)
+        [t0, g, Neff_max] = detect_equilibration(timeseries_array)
 
         return timeseries_array[t0:], g, Neff_max
 
@@ -2147,11 +2197,11 @@ def _endpoint_perturbations(self, direction = None, num_subsamples = 100):
             self._nonalchemical_reduced_potential_differences[start_lambda] = np.array([nonalchemical_reduced_potential_differences[i] for i in nonalch_full_uncorrelated_indices])
 
             #now to bootstrap results
-            alchemical_exp_results = np.array([pymbar.EXP(np.random.choice(self._alchemical_reduced_potential_differences[_direction], size = (len(self._alchemical_reduced_potential_differences[_direction]))), compute_uncertainty=False) for _ in range(num_subsamples)])
+            alchemical_exp_results = np.array([_pymbar_exp(np.random.choice(self._alchemical_reduced_potential_differences[_direction], size = (len(self._alchemical_reduced_potential_differences[_direction]))), compute_uncertainty=False) for _ in range(num_subsamples)])
             self._EXP[_direction] = (np.average(alchemical_exp_results), np.std(alchemical_exp_results)/np.sqrt(num_subsamples))
             _logger.debug(f"alchemical exp result for {_direction}: {self._EXP[_direction]}")
 
-            nonalchemical_exp_results = np.array([pymbar.EXP(np.random.choice(self._nonalchemical_reduced_potential_differences[start_lambda], size = (len(self._nonalchemical_reduced_potential_differences[start_lambda]))), compute_uncertainty=False) for _ in range(num_subsamples)])
+            nonalchemical_exp_results = np.array([_pymbar_exp(np.random.choice(self._nonalchemical_reduced_potential_differences[start_lambda], size = (len(self._nonalchemical_reduced_potential_differences[start_lambda]))), compute_uncertainty=False) for _ in range(num_subsamples)])
             self._EXP[start_lambda] = (np.average(nonalchemical_exp_results), np.std(nonalchemical_exp_results)/np.sqrt(num_subsamples))
             _logger.debug(f"nonalchemical exp result for {start_lambda}: {self._EXP[start_lambda]}")
 
@@ -2167,7 +2217,7 @@ def _alchemical_free_energy(self, num_subsamples = 100):
         work_subsamples = {'forward': [np.random.choice(self._nonequilibrium_cum_work['forward'], size = (len(self._nonequilibrium_cum_work['forward']))) for _ in range(num_subsamples)],
                            'reverse': [np.random.choice(self._nonequilibrium_cum_work['reverse'], size = (len(self._nonequilibrium_cum_work['reverse']))) for _ in range(num_subsamples)]}
 
-        bar_estimates = np.array([pymbar.BAR(forward_sample, reverse_sample, compute_uncertainty=False) for forward_sample, reverse_sample in zip(work_subsamples['forward'], work_subsamples['reverse'])])
+        bar_estimates = np.array([_pymbar_bar(forward_sample, reverse_sample, compute_uncertainty=False) for forward_sample, reverse_sample in zip(work_subsamples['forward'], work_subsamples['reverse'])])
         df, ddf = np.average(bar_estimates), np.std(bar_estimates) / np.sqrt(num_subsamples)
         self._BAR = [df, ddf]
         return (df, ddf)
diff --git a/perses/app/setup_relative_calculation.py b/perses/app/setup_relative_calculation.py
index d30655831..46974c01a 100644
--- a/perses/app/setup_relative_calculation.py
+++ b/perses/app/setup_relative_calculation.py
@@ -149,8 +149,8 @@ def getSetupOptions(filename, override_string=None):
             setup_options['flatness-criteria'] = 'minimum-visits'
             _logger.info(f"\t\t\tflatness-criteria not specified: default to minimum-visits.")
         if 'offline-freq' not in setup_options:
-            setup_options['offline-freq'] = 10
-            _logger.info(f"\t\t\toffline-freq not specified: default to 10.")
+            setup_options['offline-freq'] = setup_options["checkpoint_interval"]
+            _logger.info(f"\t\t\toffline-freq not specified: default to checkpoint interval.")
         if 'gamma0' not in setup_options:
             setup_options['gamma0'] = 1.
             _logger.info(f"\t\t\tgamma0 not specified: default to 1.0.")
@@ -162,8 +162,8 @@ def getSetupOptions(filename, override_string=None):
     elif setup_options['fe_type'] == 'repex':
         _logger.info(f"\t\tfe_type: repex")
         if 'offline-freq' not in setup_options:
-            setup_options['offline-freq'] = 10
-            _logger.info(f"\t\t\toffline-freq not specified: default to 10.")
+            setup_options['offline-freq'] = setup_options["checkpoint_interval"]
+            _logger.info(f"\t\t\toffline-freq not specified: default to checkpoint interval.")
     elif setup_options['fe_type'] == 'neq': #there are some neq attributes that are not used with the equilibrium samplers...
         _logger.info(f"\t\tfe_type: neq")
         if 'n_equilibrium_steps_per_iteration' not in setup_options:
@@ -753,7 +753,7 @@ def run_setup(setup_options, serialize_systems=True, build_samplers=True):
 def run(yaml_filename=None, override_string=None):
     cli_tool_name = sys.argv[0].split(os.sep)[-1]
     if cli_tool_name == "perses-relative":
-        warnings.warn("perses-relative will be removed in 0.11, see https://github.com/choderalab/perses/tree/main/examples/new-cli for new CLI tool", FutureWarning)
+        warning.warn("perses-relative will be removed in 0.11, see https://github.com/choderalab/perses/tree/main/examples/new-cli for new CLI tool", FutureWarning)
     _logger.info("Beginning Setup...")
     if yaml_filename is None:
        try:
@@ -954,6 +954,7 @@ def run(yaml_filename=None, override_string=None):
                 logZ[phase] = hss_run._logZ[-1] - hss_run._logZ[0]
                 free_energies[phase] = hss_run._last_mbar_f_k[-1] - hss_run._last_mbar_f_k[0]
                 _logger.info(f"\t\tFinished phase {phase}")
+                del hss[phase].energy_context_cache, hss[phase].sampler_context_cache
 
             for phase in free_energies:
                 print(f"Comparing ligand {setup_options['old_ligand_index']} to {setup_options['new_ligand_index']}")
@@ -984,6 +985,7 @@ def run(yaml_filename=None, override_string=None):
                 _logger.info(f"\n\n")
 
                 _logger.info(f"\t\tFinished phase {phase}")
+                del hss[phase].energy_context_cache, hss[phase].sampler_context_cache
 
 
 def _resume_run(setup_options):
@@ -1018,6 +1020,7 @@ def _resume_run(setup_options):
             logZ[phase] = simulation._logZ[-1] - simulation._logZ[0]
             free_energies[phase] = simulation._last_mbar_f_k[-1] - simulation._last_mbar_f_k[0]
             _logger.info(f"\t\tFinished phase {phase}")
+            del simulation.sampler_context_cache, simulation.energy_context_cache
         for phase in free_energies:
             print(f"Comparing ligand {setup_options['old_ligand_index']} to {setup_options['new_ligand_index']}")
             print(f"{phase} phase has a free energy of {free_energies[phase]}")
@@ -1041,6 +1044,7 @@ def _resume_run(setup_options):
             simulation.extend(n_iterations=left_to_do)
             _logger.info(f"\n\n")
             _logger.info(f"\t\tFinished phase {phase}")
+            del simulation.sampler_context_cache, simulation.energy_context_cache
     else:
         raise("Can't resume")
 
diff --git a/perses/dispersed/smc.py b/perses/dispersed/smc.py
index e2850350a..5958498e2 100644
--- a/perses/dispersed/smc.py
+++ b/perses/dispersed/smc.py
@@ -10,7 +10,7 @@
 from perses.annihilation.lambda_protocol import LambdaProtocol
 from perses.annihilation.lambda_protocol import RelativeAlchemicalState
 import random
-import pymbar
+from openmmtools.multistate.pymbar import _pymbar_bar, _pymbar_exp
 from perses.dispersed.parallel import Parallelism
 # Instantiate logger
 _logger = logging.getLogger("sMC")
@@ -726,10 +726,10 @@ def compute_sMC_free_energy(self, cumulative_work_dict):
         self.dg_EXP = {}
         for _direction, _lst in cumulative_work_dict.items():
             self.cumulative_work[_direction] = _lst
-            self.dg_EXP[_direction] = np.array([pymbar.EXP(_lst[:,i]) for i in range(_lst.shape[1])])
+            self.dg_EXP[_direction] = np.array([_pymbar_exp(_lst[:,i]) for i in range(_lst.shape[1])])
             _logger.debug(f"cumulative_work for {_direction}: {self.cumulative_work[_direction]}")
         if len(list(self.cumulative_work.keys())) == 2:
-            self.dg_BAR = pymbar.BAR(self.cumulative_work['forward'][:, -1], self.cumulative_work['reverse'][:, -1])
+            self.dg_BAR = _pymbar_bar(self.cumulative_work['forward'][:, -1], self.cumulative_work['reverse'][:, -1])
 
     def minimize_sampler_states(self):
         """
diff --git a/perses/dispersed/utils.py b/perses/dispersed/utils.py
index 36b1e833c..3f99c9c47 100644
--- a/perses/dispersed/utils.py
+++ b/perses/dispersed/utils.py
@@ -306,10 +306,10 @@ def compute_timeseries(reduced_potentials):
         uncorrelated indices
 
     """
-    from pymbar import timeseries
-    t0, g, Neff_max = timeseries.detectEquilibration(reduced_potentials) #computing indices of uncorrelated timeseries
+    from openmmtools.multistate.pymbar import detect_equilibration, subsample_correlated_data
+    t0, g, Neff_max = detect_equilibration(reduced_potentials) #computing indices of uncorrelated timeseries
     A_t_equil = reduced_potentials[t0:]
-    uncorrelated_indices = timeseries.subsampleCorrelatedData(A_t_equil, g=g)
+    uncorrelated_indices = subsample_correlated_data(A_t_equil, g=g)
     A_t = A_t_equil[uncorrelated_indices]
     full_uncorrelated_indices = [i+t0 for i in uncorrelated_indices]
 
diff --git a/perses/tests/test_examples.py b/perses/tests/test_examples.py
deleted file mode 100644
index 95e46344a..000000000
--- a/perses/tests/test_examples.py
+++ /dev/null
@@ -1,69 +0,0 @@
-#!/usr/bin/env python
-
-# ======================================================================
-# MODULE DOCSTRING
-# ======================================================================
-
-"""
-Test that the examples in the repo run without errors.
-"""
-
-# ======================================================================
-# GLOBAL IMPORTS
-# ======================================================================
-
-import pathlib
-import pytest
-import subprocess
-from perses.tests.utils import enter_temp_directory
-
-ROOT_DIR_PATH = pathlib.Path(__file__).joinpath("../../../").resolve()
-SLOW_EXAMPLES_KEYWORDS = ("barnase-barstar", "kinase-neq-switching")
-NOT_EXAMPLES_KEYWORDS = ("analyze-benchmark", "moonshot-mainseries")
-
-
-def run_script_file(file_path, cmd_args=None):
-    """Run through the shell a python script."""
-    with enter_temp_directory():
-        cmd = ["python", file_path]
-        print(cmd)
-        # Extend cmd list with given cmd_args
-        if cmd_args:
-            cmd.extend(cmd_args)
-        try:
-            subprocess.run(cmd, capture_output=True, check=True)
-        except subprocess.CalledProcessError as error:
-            raise Exception(f"Example {file_path} failed. STDERR: {error.stderr.decode()}")
-
-
-def find_example_scripts():
-    """Find all Python scripts, excluding Jupyter notebooks, in the examples folder.
-    Returns
-    -------
-    example_file_paths : List[str]
-        List of full paths to python scripts to execute.
-    """
-    examples_dir_path = ROOT_DIR_PATH.joinpath("examples")
-
-    example_file_paths = []
-    for example_file_path in examples_dir_path.glob("*/*.py"):
-        # TODO: find a better way to mark slow examples
-        example_posix_path = example_file_path.as_posix()
-        # mark slow examples
-        if any(example in example_posix_path for example in SLOW_EXAMPLES_KEYWORDS):
-            example_posix_path = pytest.param(example_posix_path, marks=pytest.mark.slow)
-        # mark non-examples
-        elif any(example in example_posix_path for example in NOT_EXAMPLES_KEYWORDS):
-            example_posix_path = pytest.param(example_posix_path, marks=pytest.mark.skip("not an example"))
-        example_file_paths.append(example_posix_path)
-
-    return example_file_paths
-
-
-# ======================================================================
-# TESTS
-# ======================================================================
-@pytest.mark.parametrize("example_file_path", find_example_scripts())
-def test_examples(example_file_path):
-    """Test that the example run without errors."""
-    run_script_file(example_file_path)
diff --git a/perses/tests/test_relative.py b/perses/tests/test_relative.py
index 37223df8a..e6a9da4b9 100644
--- a/perses/tests/test_relative.py
+++ b/perses/tests/test_relative.py
@@ -19,9 +19,8 @@
 from openmmtools.integrators import LangevinIntegrator
 from unittest import skipIf
 
-import pymbar.timeseries as timeseries
+from openmmtools.multistate.pymbar import _pymbar_exp, detect_equilibration
 import pytest
-import pymbar
 
 running_on_github_actions = os.environ.get('GITHUB_ACTIONS', None) == 'true'
 
@@ -100,9 +99,9 @@ def calculate_cross_variance(all_results):
         non_b = all_results[2]
         hybrid_b = all_results[3]
     print('CROSS VALIDATION')
-    [df, ddf] = pymbar.EXP(non_a - hybrid_b)
+    [df, ddf] = _pymbar_exp(non_a - hybrid_b)
     print('df: {}, ddf: {}'.format(df, ddf))
-    [df, ddf] = pymbar.EXP(non_b - hybrid_a)
+    [df, ddf] = _pymbar_exp(non_b - hybrid_a)
     print('df: {}, ddf: {}'.format(df, ddf))
     return
 
@@ -395,9 +394,9 @@ def run_endpoint_perturbation(lambda_thermodynamic_state, nonalchemical_thermody
         md.Trajectory(nonalchemical_trajectory / unit.nanometers, nonalchemical_mdtraj_topology).save(f'nonalchemical{lambda_index}.pdb')
 
     # Analyze data and return results
-    [t0, g, Neff_max] = timeseries.detectEquilibration(w)
+    [t0, g, Neff_max] = detect_equilibration(w)
     w_burned_in = w[t0:]
-    [df, ddf] = pymbar.EXP(w_burned_in)
+    [df, ddf] = _pymbar_exp(w_burned_in)
     ddf_corrected = ddf * np.sqrt(g)
     results = [df, ddf_corrected, t0, Neff_max]
 
@@ -1220,3 +1219,38 @@ def test_unsampled_endstate_energies_GPU():
 
     # Tyk2 -- Run point and MD energy validation tests
     run_unsampled_endstate_energies('tyk2', use_point_energies=True, use_md_energies=True)
+
+class TestHybridTopologyFactory:
+    """Class to test the base/vanilla HybridTopologyFactory object"""
+    def test_custom_nonbonded_cutoff(self):
+        """
+        Test that nonbonded cutoff gets propagated to the custom nonbonded forces generated in the HTF via the
+        _add_nonbonded_force_terms method.
+
+        Creates an HTF and manually changes the cutoff in the OLD system of the hybrid topology factory and checks the
+        expected behavior with both running or not running the referenced method.
+        """
+        from openmm import NonbondedForce,CustomNonbondedForce
+        # TODO: we should probably make a fixture with the following top proposal and factory
+        topology_proposal, current_positions, new_positions = utils.generate_solvated_hybrid_test_topology(
+            current_mol_name='propane', proposed_mol_name='pentane', vacuum=False)
+        hybrid_factory = HybridTopologyFactory(topology_proposal, current_positions, new_positions,
+                                               use_dispersion_correction=True)
+        old_system_forces = hybrid_factory._old_system_forces
+        hybrid_system_forces = hybrid_factory.hybrid_system.getForces()
+        old_nonbonded_forces = [force for force in old_system_forces if isinstance(force, NonbondedForce)]
+        hybrid_custom_nonbonded_forces = [force for force in hybrid_system_forces if isinstance(force, CustomNonbondedForce)]
+        # Modify the cutoff for nonbonded forces in the OLD system (!)
+        for force in old_nonbonded_forces:
+            force.setCutoffDistance(force.getCutoffDistance() + 1*unit.nanometer)
+            # Assert that the nb cutoff distance is different compared to the custom nb forces
+            for custom_force in hybrid_custom_nonbonded_forces:
+                assert custom_force.getCutoffDistance() != \
+                       force.getCutoffDistance(), "Expected different cutoff distances between NB and custom NB forces."
+        # propagate the cutoffs
+        hybrid_factory._add_nonbonded_force_terms(add_custom_sterics_force=True)
+        # Check now that cutoff match for all nonbonded forces (including custom)
+        for force in old_nonbonded_forces:
+            for custom_force in hybrid_custom_nonbonded_forces:
+                assert custom_force.getCutoffDistance() == \
+                       force.getCutoffDistance(), "Expected equal cutoff distances between NB and custom NB forces."
diff --git a/perses/tests/test_relative_setup.py b/perses/tests/test_relative_setup.py
index b1029bedb..60d05e3ac 100644
--- a/perses/tests/test_relative_setup.py
+++ b/perses/tests/test_relative_setup.py
@@ -7,7 +7,6 @@
 from perses.app import setup_relative_calculation
 import mdtraj as md
 from openmmtools import states, alchemy, testsystems, cache
-from unittest import skipIf
 import pytest
 
 from perses.tests.utils import enter_temp_directory
@@ -19,7 +18,6 @@
         'lambda_electrostatics' : 'lambda',
     }
 
-
 def generate_example_waterbox_states(temperature=300.0*unit.kelvin, pressure=1.0*unit.atmosphere):
     """
     This is a convenience function to generate a CompoundThermodynamicState and SamplerState to use in other tests.
@@ -206,11 +204,11 @@ def warn(*args, **kwargs):
 
         # TODO: Check output
 
-#@skipIf(running_on_github_actions, "Skip analysis test on GH Actions. SLOW")
-@pytest.mark.skip(reason="Skip analysis test on GH Actions. SLOW")
+# Running it on gpu CI -- slow
+@pytest.mark.gpu_needed
 def test_run_bace_spectator():
     """
-    Ensure that we can instantiate and run a repex relative free energy calculation the cdk2 ligands in vacuum
+    Ensure that we can setup a simulation of BACE system with an spectator
     """
     # Enter a temporary directory
     from perses.tests.utils import enter_temp_directory
@@ -244,14 +242,12 @@ def warn(*args, **kwargs):
             setup_options[parameter] = os.path.join(setup_directory, setup_options[parameter])
             # only one spectator
             setup_options['spectators'] = [ os.path.join(setup_directory, setup_options['spectators'][0])]
-        for parameter in ['trajectory_directory', 'trajectory_prefix', 'save_setup_pickle_as']:
+        for parameter in ['trajectory_directory', 'save_setup_pickle_as']:
             setup_options[parameter] = os.path.join(tmpdirname, setup_options[parameter])
 
 
         # Run setup
-        n_iterations = 2
         setup_dict = setup_relative_calculation.run_setup(setup_options)
-        setup_dict['hybrid_samplers']['complex'].run(n_iterations=n_iterations)
 
         # test that there is TLA in the complex system
         found_tla = False
@@ -260,47 +256,6 @@ def warn(*args, **kwargs):
                 found_tla = True
         assert found_tla == True, 'Spectator TLA not in old topology'
 
-
-def test_host_guest_deterministic_geometries():
-    """
-    execute the `RelativeFEPSetup` with geometries specified for a host-guest relative free energy pair
-    """
-    from perses.app.relative_setup import RelativeFEPSetup
-
-    # Setup directory
-    ligand_sdf = resource_filename("perses", "data/given-geometries/ligands.sdf")
-    host_pdb = resource_filename("perses", "data/given-geometries/receptor.pdb")
-
-    setup = RelativeFEPSetup(
-                 ligand_input = ligand_sdf,
-                 old_ligand_index=0,
-                 new_ligand_index=1,
-                 forcefield_files = ['amber/ff14SB.xml','amber/tip3p_standard.xml','amber/tip3p_HFE_multivalent.xml'],
-                 phases = ['complex', 'solvent', 'vacuum'],
-                 protein_pdb_filename=host_pdb,
-                 receptor_mol2_filename=None,
-                 pressure=1.0 * unit.atmosphere,
-                 temperature=300.0 * unit.kelvin,
-                 solvent_padding=9.0 * unit.angstroms,
-                 ionic_strength=0.15 * unit.molar,
-                 hmass=3*unit.amus,
-                 neglect_angles=False,
-                 map_strength='default',
-                 atom_expr=None,
-                 bond_expr=None,
-                 anneal_14s=False,
-                 small_molecule_forcefield='gaff-2.11',
-                 small_molecule_parameters_cache=None,
-                 trajectory_directory=None,
-                 trajectory_prefix=None,
-                 spectator_filenames=None,
-                 nonbonded_method = 'PME',
-                 complex_box_dimensions=None,
-                 solvent_box_dimensions=None,
-                 remove_constraints=False,
-                 use_given_geometries = True
-                 )
-
 def test_relative_setup_charge_change():
     """
     execute `RelativeFEPSetup` in solvent/complex phase on a charge change and assert that the modified new system and old system charge difference is zero.
@@ -357,7 +312,6 @@ def test_relative_setup_solvent_padding():
     Check that the user inputted solvent_padding argument to `RelativeFEPSetup` actually changes the padding for the solvent phase
     """
     from perses.app.relative_setup import RelativeFEPSetup
-    import numpy as np
 
     input_solvent_padding = 1.7 * unit.nanometers
     smiles_filename = resource_filename("perses", os.path.join("data", "test.smi"))
@@ -409,6 +363,58 @@ def test_relative_setup_list_ligand_input():
     assert ligand_input_size == expected_input_size, f"There should be {expected_input_size} ligand input files, " \
                                                      f"receiving {ligand_input_size} files."
 
+def test_relative_setup_topologies_storage(tmp_path):
+    """
+    Check that topologies get stored
+    """
+    from perses.app.relative_setup import RelativeFEPSetup
+
+    # Setup directory
+    ligand_sdf = resource_filename("perses", "data/given-geometries/ligands.sdf")
+    host_pdb = resource_filename("perses", "data/given-geometries/receptor.pdb")
 
-# if __name__=="__main__":
-#     test_run_cdk2_iterations_repex()
+    fe_setup = RelativeFEPSetup(
+        ligand_input=ligand_sdf,
+        old_ligand_index=0,
+        new_ligand_index=1,
+        forcefield_files=['amber/ff14SB.xml', 'amber/tip3p_standard.xml', 'amber/tip3p_HFE_multivalent.xml'],
+        phases=['complex', 'solvent', 'vacuum'],
+        protein_pdb_filename=host_pdb,
+        receptor_mol2_filename=None,
+        pressure=1.0 * unit.atmosphere,
+        temperature=300.0 * unit.kelvin,
+        solvent_padding=9.0 * unit.angstroms,
+        ionic_strength=0.15 * unit.molar,
+        hmass=3 * unit.amus,
+        neglect_angles=False,
+        map_strength='default',
+        atom_expr=None,
+        bond_expr=None,
+        anneal_14s=False,
+        small_molecule_forcefield='openff-2.1.0',
+        small_molecule_parameters_cache=None,
+        trajectory_directory=tmp_path,
+        trajectory_prefix="host-guest",
+        spectator_filenames=None,
+        nonbonded_method='PME',
+        complex_box_dimensions=None,
+        solvent_box_dimensions=None,
+        remove_constraints=False,
+        use_given_geometries=True
+    )
+
+    expected_files = [
+        'host-guest_vacuum_old.pdb',
+        'host-guest_vacuum_new.pdb',
+        'host-guest_solvent_old.pdb',
+        'host-guest_solvent_new.pdb',
+        'host-guest_complex_old.pdb',
+        'host-guest_complex_new.pdb',
+    ]
+    for file in expected_files:
+        pdb_filename = f"{tmp_path}/models/{file}"
+        assert os.path.exists(pdb_filename)
+
+    # Assert that no extra files are created
+    files_in_directory = os.listdir(f"{tmp_path}/models")
+    assert len(files_in_directory) == len(expected_files)
diff --git a/perses/tests/utils.py b/perses/tests/utils.py
index 51da033a5..152f1cb50 100644
--- a/perses/tests/utils.py
+++ b/perses/tests/utils.py
@@ -504,7 +504,7 @@ def validate_rjmc_work_variance(top_prop, positions, geometry_method = 0, num_it
     md_steps: int
         number of md_steps to run in each num_iteration
     compute_timeseries = bool (default False)
-        whether to use pymbar detectEquilibration and subsampleCorrelated data from the MD run (the potential energy is the data)
+        whether to use pymbar detect_equilibration and subsample_correlated data from the MD run (the potential energy is the data)
     prespecified_conformers = None or unit.Quantity(np.array([num_iterations, system.getNumParticles(), 3]), unit = unit.nanometers)
         whether to input a unit.Quantity of conformers and bypass the conformer_generation/pymbar stage; None will default conduct this phase
 
@@ -562,9 +562,9 @@ def validate_rjmc_work_variance(top_prop, positions, geometry_method = 0, num_it
 
         if compute_timeseries:
             print(f"computing production and data correlation")
-            from pymbar import timeseries
-            t0, g, Neff = timeseries.detectEquilibration(rps)
-            series = timeseries.subsampleCorrelatedData(np.arange(t0, num_iterations), g = g)
+            from openmmtools.multistate.pymbar import detect_equilibration
+            t0, g, Neff = detect_equilibration(rps)
+            series = subsample_correlated_data(np.arange(t0, num_iterations), g = g)
             print(f"production starts at index {t0} of {num_iterations}")
             print(f"the number of effective samples is {Neff}")
             indices = t0 + series