diff --git a/.github/workflows/build.yaml b/.github/workflows/build.yaml index 0fca8ff..86f2e9a 100644 --- a/.github/workflows/build.yaml +++ b/.github/workflows/build.yaml @@ -24,7 +24,7 @@ jobs: sudo rm -rf /usr/share/dotnet /usr/local/lib/android /opt/ghc /opt/hostedtoolcache/CodeQL sudo docker image prune --all --force sudo docker builder prune -a - + - name: checkout uses: actions/checkout@3d3c42e5aac5ba805825da76410c181273ba90b1 # v7.0.1 @@ -47,11 +47,11 @@ jobs: - name: Set up Docker Buildx id: buildx - uses: docker/setup-buildx-action@f87e5991a6d7451dcb8d9637bfbc97413f497069 # v4.4.1 + uses: docker/setup-buildx-action@37fe631027851001ddb9b187196cc803df7f5f0e # v4.3.0 - name: Build and push by digest if: github.event_name == 'pull_request' - uses: docker/build-push-action@c3c9e263c25d99ce0380d002d59b67737d91b0dc # v7.4.0 + uses: docker/build-push-action@53b7df96c91f9c12dcc8a07bcb9ccacbed38856a # v7.3.0 with: file: ./docker/Dockerfile platforms: ${{ matrix.platform }} @@ -65,7 +65,7 @@ jobs: run: | docker run -t ghcr.io/${{ vars.ORG_REPO }}/${{ github.event.repository.name }}:latest bash -c " \ pip install pytest nbmake; \ - find . -name '*.ipynb' | pytest --nbmake --nbmake-timeout=3600; " + find . -name '*.ipynb' | pytest --nbmake --nbmake-timeout=3600;" - name: Authenticate with GHCR if: github.event_name != 'pull_request' @@ -79,7 +79,7 @@ jobs: - name: Build and push by digest if: github.event_name != 'pull_request' id: build - uses: docker/build-push-action@c3c9e263c25d99ce0380d002d59b67737d91b0dc # v7.4.0 + uses: docker/build-push-action@53b7df96c91f9c12dcc8a07bcb9ccacbed38856a # v7.3.0 with: file: ./docker/Dockerfile platforms: ${{ matrix.platform }} @@ -93,7 +93,7 @@ jobs: run: | docker run -t ghcr.io/${{ vars.ORG_REPO }}/${{ github.event.repository.name }}@${{ steps.build.outputs.digest }} bash -c " \ pip install pytest nbmake; \ - find . -name '*.ipynb' | pytest --nbmake --nbmake-timeout=3600; " + find . -name '*.ipynb' | pytest --nbmake --nbmake-timeout=3600;" - name: Export digest if: github.event_name != 'pull_request' @@ -135,7 +135,7 @@ jobs: - name: Set up Docker Buildx id: buildx - uses: docker/setup-buildx-action@f87e5991a6d7451dcb8d9637bfbc97413f497069 # v4.4.1 + uses: docker/setup-buildx-action@37fe631027851001ddb9b187196cc803df7f5f0e # v4.3.0 - name: Metadata id: meta diff --git a/1_INTRODUCTION/5fdr_A.inpcrd b/1_INTRODUCTION/5fdr_A.inpcrd deleted file mode 100644 index 93437d2..0000000 --- a/1_INTRODUCTION/5fdr_A.inpcrd +++ /dev/null @@ -1,10484 +0,0 @@ -default_name - 20962 - 40.2506158 44.5665436 52.6626781 40.7309053 45.0338481 51.9070000 - 40.8863660 44.4712649 53.4416800 39.3507585 45.0053896 52.7959845 - 39.9489647 43.1743126 52.2284013 40.4210789 42.4585422 52.9013649 - 38.4299631 42.9443322 52.2541736 38.0013366 43.6106183 51.5055472 - 38.2665671 41.9091151 51.9546287 37.7539706 43.1974982 53.6126283 - 37.8123612 42.2896481 54.2130444 38.3077117 43.9956712 54.1069863 - 36.2837288 43.6147475 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HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB CG1 -HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD -HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 -HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 -HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA2 HA3 C O N -H CA HA CB HB2 HB3 CG CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 -CD2 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA2 HA3 -C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 -C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H -CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 -CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 -CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 -CG ND1 CE1 HE1 NE2 HE2 CD2 HD2 C O N H CA HA CB HB CG1 HG11HG12HG13 -CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C -O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 -CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG -HG2 HG3 CD OE1 OE2 C O N H CA HA2 HA3 C O OXT O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O 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O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 -O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 -H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O -H1 H2 -%FLAG CHARGE -%FORMAT(5E16.8) - 3.09779100E-02 4.35695193E+00 4.35695193E+00 4.35695193E+00 1.07147124E+00 - 2.19032046E+00 1.65640707E+00 -4.22757360E-01 -4.22757360E-01 -4.30046280E-01 - -5.74002450E-01 -5.74002450E-01 1.47363740E+01 -1.49222415E+01 -1.49222415E+01 - 1.02427548E+01 -1.07311125E+01 -9.40817349E+00 5.35006728E+00 6.94269630E-01 - 1.60356240E+00 -5.52135690E-01 -2.22312060E-01 -2.22312060E-01 1.45669066E+01 - -1.46033512E+01 -1.46033512E+01 9.77808618E+00 -1.06035564E+01 -9.40817349E+00 - 5.35006728E+00 7.23425310E-01 2.01356415E+00 1.02044880E+00 -3.15245790E-01 - -3.15245790E-01 2.47823280E-01 -7.74447750E-01 -7.74447750E-01 1.46762404E+01 - -1.49204192E+01 -1.49204192E+01 9.77808618E+00 -1.06035564E+01 -7.57501011E+00 - 4.95464337E+00 -9.43915140E-01 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80 93 107 - 4 5 6 9 13 18 24 31 39 48 - 58 69 81 94 108 7 8 9 10 14 - 19 25 32 40 49 59 70 82 95 109 - 11 12 13 14 15 20 26 33 41 50 - 60 71 83 96 110 16 17 18 19 20 - 21 27 34 42 51 61 72 84 97 111 - 22 23 24 25 26 27 28 35 43 52 - 62 73 85 98 112 29 30 31 32 33 - 34 35 36 44 53 63 74 86 99 113 - 37 38 39 40 41 42 43 44 45 54 - 64 75 87 100 114 46 47 48 49 50 - 51 52 53 54 55 65 76 88 101 115 - 56 57 58 59 60 61 62 63 64 65 - 66 77 89 102 116 67 68 69 70 71 - 72 73 74 75 76 77 78 90 103 117 - 79 80 81 82 83 84 85 86 87 88 - 89 90 91 104 118 92 93 94 95 96 - 97 98 99 100 101 102 103 104 105 119 - 106 107 108 109 110 111 112 113 114 115 - 116 117 118 119 120 -%FLAG RESIDUE_LABEL -%FORMAT(20a4) -GLU ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER ARG TYR LEU ARG GLU GLN ALA -THR GLY ALA LYS ASP THR LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA LEU -GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG ASN HIE GLU THR ALA PHE GLN GLY -MET LEU ARG LYS LEU ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG VAL MET -ILE HIE VAL PHE SER ASP GLY VAL THR ASN TRP GLY ARG ILE VAL THR LEU ILE SER PHE -GLY ALA PHE VAL ALA LYS HIE LEU LYS THR ILE ASN GLN GLU SER CYS ILE GLU PRO LEU -ALA GLU SER ILE THR ASP VAL LEU VAL ARG THR LYS ARG ASP TRP LEU VAL LYS GLN ARG -GLY TRP ASP GLY PHE VAL GLU PHE PHE HIE VAL GLU ASP LEU GLU GLY WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT 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WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT -WAT WAT WAT WAT WAT -%FLAG RESIDUE_POINTER -%FORMAT(10I8) - 1 18 30 45 64 85 109 126 137 156 - 171 190 209 220 244 265 284 308 323 340 - 350 364 371 381 403 415 429 451 465 482 - 489 513 524 531 541 555 566 590 612 622 - 641 656 670 689 713 737 753 760 772 779 - 795 812 836 850 867 882 896 906 926 943 - 950 967 986 1010 1032 1051 1063 1082 1104 1118 - 1133 1145 1157 1173 1195 1206 1225 1236 1260 1276 - 1293 1312 1329 1345 1365 1376 1388 1395 1411 1425 - 1439 1463 1470 1494 1513 1529 1543 1562 1581 1592 - 1612 1619 1629 1649 1665 1675 1697 1714 1733 1755 - 1769 1788 1802 1819 1834 1845 1856 1875 1890 1904 - 1923 1933 1948 1959 1978 1992 2004 2020 2039 2055 - 2079 2093 2115 2139 2151 2175 2194 2210 2232 2249 - 2273 2280 2304 2316 2323 2343 2359 2374 2394 2414 - 2431 2447 2462 2474 2493 2508 2516 2519 2522 2525 - 2528 2531 2534 2537 2540 2543 2546 2549 2552 2555 - 2558 2561 2564 2567 2570 2573 2576 2579 2582 2585 - 2588 2591 2594 2597 2600 2603 2606 2609 2612 2615 - 2618 2621 2624 2627 2630 2633 2636 2639 2642 2645 - 2648 2651 2654 2657 2660 2663 2666 2669 2672 2675 - 2678 2681 2684 2687 2690 2693 2696 2699 2702 2705 - 2708 2711 2714 2717 2720 2723 2726 2729 2732 2735 - 2738 2741 2744 2747 2750 2753 2756 2759 2762 2765 - 2768 2771 2774 2777 2780 2783 2786 2789 2792 2795 - 2798 2801 2804 2807 2810 2813 2816 2819 2822 2825 - 2828 2831 2834 2837 2840 2843 2846 2849 2852 2855 - 2858 2861 2864 2867 2870 2873 2876 2879 2882 2885 - 2888 2891 2894 2897 2900 2903 2906 2909 2912 2915 - 2918 2921 2924 2927 2930 2933 2936 2939 2942 2945 - 2948 2951 2954 2957 2960 2963 2966 2969 2972 2975 - 2978 2981 2984 2987 2990 2993 2996 2999 3002 3005 - 3008 3011 3014 3017 3020 3023 3026 3029 3032 3035 - 3038 3041 3044 3047 3050 3053 3056 3059 3062 3065 - 3068 3071 3074 3077 3080 3083 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N2 H CA N2 -H H N2 H H C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 -C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N -H CX H1 CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC OH -HO C O N H CX H1 H1 C O N H CX H1 CT HC HC HC C O -N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H H -C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 3C H1 -CT HC HC HC OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 HC -HC C8 HP HP N3 H H H C O N CT H1 H1 CT HC HC CT HC HC -CX H1 C O N H CX H1 2C HC HC 2C H1 H1 S CT H1 H1 H1 C -O N H CX H1 H1 C O N H CX H1 C8 HC HC C8 HC HC C8 H1 -H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C H1 H1 OH -HO C O N H CX H1 H1 C O N H CX H1 CT HC HC HC C O -N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C H1 -H1 OH HO C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H -CA N2 H H N2 H H C O N H CX H1 C8 HC HC C8 HC HC C8 -HC HC C8 HP HP N3 H H H C O N H CX H1 CT HC HC HC C -O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O -N H CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 3C -H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC 3C HC CT HC -HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 H1 -H1 N2 H CA N2 H H N2 H H C O N H CX H1 C8 HC HC C8 -HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 -3C HC CT HC HC HC CT HC HC HC C O N H CX H1 H1 C O N -H CX H1 2C HC HC CO O2 O2 C O N H CX H1 H1 C O N H -CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC -HC 2C HC HC C O N H H C O N H CX H1 C8 HC HC C8 HC -HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 2C -HC HC C O N H H C O N H CX H1 CT HC HC CC NB CR H5 -NA H CW H4 C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C -O N H CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 CT -HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA -HA CA HA C O N H CX H1 2C HC HC 2C HC HC C O N H H -C O N H CX H1 H1 C O N H CX H1 2C HC HC 2C H1 H1 S -CT H1 H1 H1 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT -HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 H1 H1 N2 H -CA N2 H H N2 H H C O N H CX H1 C8 HC HC C8 HC HC C8 -HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC 3C HC -CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC CO O2 O2 -C O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C -O N H CX H1 C8 HC HC C8 HC HC C8 HC HC C8 HP HP N3 H H -H C O N H CX H1 2C HC HC C O N H H C O N H CX -H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC CO -O2 O2 C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 -3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 -HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 2C H1 -H1 OH HO C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC -HC HC C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 C8 -HC HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N -H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C -HC HC 2C H1 H1 S CT H1 H1 H1 C O N H CX H1 3C HC CT HC -HC HC 2C HC HC CT HC HC HC C O N H CX H1 CT HC HC CC NB -CR H5 NA H CW H4 C O N H CX H1 3C HC CT HC HC HC CT HC -HC HC C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA -CA HA C O N H CX H1 2C H1 H1 OH HO C O N H CX H1 2C -HC HC CO O2 O2 C O N H CX H1 H1 C O N H CX H1 3C HC -CT HC HC HC CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC -OH HO C O N H CX H1 2C HC HC C O N H H C O N H -CX H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB -C O N H CX H1 H1 C O N H CX H1 C8 HC HC C8 HC HC C8 -H1 H1 N2 H CA N2 H H N2 H H C O N H CX H1 3C HC CT -HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 3C HC CT HC -HC HC CT HC HC HC C O N H CX H1 3C H1 CT HC HC HC OH HO -C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C -O N H CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O -N H CX H1 2C H1 H1 OH HO C O N H CX H1 CT HC HC CA CA -HA CA HA CA HA CA HA CA HA C O N H CX H1 H1 C O N H -CX H1 CT HC HC HC C O N H CX H1 CT HC HC CA CA HA CA HA -CA HA CA HA CA HA C O N H CX H1 3C HC CT HC HC HC CT HC -HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 C8 HC -HC C8 HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 -CT HC HC CC NB CR H5 NA H CW H4 C O N H CX H1 2C HC HC -3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 -HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 3C H1 -CT HC HC HC OH HO C O N H CX H1 3C HC CT HC HC HC 2C HC -HC CT HC HC HC C O N H CX H1 2C HC HC C O N H H C -O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H -CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 2C H1 H1 -OH HO C O N H CX H1 2C H1 H1 SH HS C O N H CX H1 3C -HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX H1 2C HC -HC 2C HC HC CO O2 O2 C O N CT H1 H1 CT HC HC CT HC HC CX -H1 C O N H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC -C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 2C -HC HC CO O2 O2 C O N H CX H1 2C H1 H1 OH HO C O N H -CX H1 3C HC CT HC HC HC 2C HC HC CT HC HC HC C O N H CX -H1 3C H1 CT HC HC HC OH HO C O N H CX H1 2C HC HC CO O2 -O2 C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N -H CX H1 2C HC HC 3C HC CT HC HC HC CT HC HC HC C O N H -CX H1 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 C8 HC -HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H -CX H1 3C H1 CT HC HC HC OH HO C O N H CX H1 C8 HC HC C8 -HC HC C8 HC HC C8 HP HP N3 H H H C O N H CX H1 C8 HC -HC C8 HC HC C8 H1 H1 N2 H CA N2 H H N2 H H C O N H -CX H1 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC C* CW H4 -NA H CN CA HA CA HA CA HA CA HA CB C O N H CX H1 2C HC -HC 3C HC CT HC HC HC CT HC HC HC C O N H CX H1 3C HC CT -HC HC HC CT HC HC HC C O N H CX H1 C8 HC HC C8 HC HC C8 -HC HC C8 HP HP N3 H H H C O N H CX H1 2C HC HC 2C HC -HC C O N H H C O N H CX H1 C8 HC HC C8 HC HC C8 H1 -H1 N2 H CA N2 H H N2 H H C O N H CX H1 H1 C O N -H CX H1 CT HC HC C* CW H4 NA H CN CA HA CA HA CA HA CA HA -CB C O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 H1 -C O N H CX H1 CT HC HC CA CA HA CA HA CA HA CA HA CA HA -C O N H CX H1 3C HC CT HC HC HC CT HC HC HC C O N H -CX H1 2C HC HC 2C HC HC CO O2 O2 C O N H CX H1 CT HC HC -CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 CT HC HC -CA CA HA CA HA CA HA CA HA CA HA C O N H CX H1 CT HC HC -CC NB CR H5 NA H CW H4 C O N H CX H1 3C HC CT HC HC HC -CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC CO O2 O2 C -O N H CX H1 2C HC HC CO O2 O2 C O N H CX H1 2C HC HC -3C HC CT HC HC HC CT HC HC HC C O N H CX H1 2C HC HC 2C -HC HC CO O2 O2 C O N H CX H1 H1 C O2 O2 OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW -OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW -HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW -HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW 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BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA 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BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA -BLA BLA -%FLAG JOIN_ARRAY -%FORMAT(10I8) - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 0 0 0 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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 - 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 - 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 - 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 - 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 - 8.50000000E-01 8.50000000E-01 -%FLAG IPOL -%FORMAT(1I8) - 0 diff --git a/1_INTRODUCTION/5fdr_A_amber_production.nc b/1_INTRODUCTION/5fdr_A_amber_production.nc deleted file mode 100644 index c14dba6..0000000 Binary files a/1_INTRODUCTION/5fdr_A_amber_production.nc and /dev/null differ diff --git a/1_INTRODUCTION/analysis.ipynb b/1_INTRODUCTION/analysis.ipynb deleted file mode 100644 index 526d5c3..0000000 --- a/1_INTRODUCTION/analysis.ipynb +++ /dev/null @@ -1,319 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "id": "aef2da24-8282-4a95-8e39-ad7e1a0a6cbe", - "metadata": {}, - "source": [ - "# Analysis of protein MD simulation data with MDTraj\n", - "\n", - "[MDTraj](http://mdtraj.org) is a popular Python package for the analysis of MD simulation data. This workshop provides a brief introduction to it.\n", - "\n", - "`MDTraj` integrates closely with [numpy](http://numpy.org), and a good understanding of how to use `numpy` will help you get the most out of the package, but we will not go much into that here.\n", - "\n", - "`MDTraj` doesn't provide any graphical outputs, so we will use [Matplotlib](http://matplotlib.org) for that.\n", - "\n", - "The data used here comes from an extended (2 nanosecond) \"production\" MD simulation of the Mcl-1 protein (PDB code [5fdr](https://www.rcsb.org/structure/5FDR), chain A).\n", - "\n", - "## 1. Import the required packages:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "a4d0b05b-c12b-48d4-98e3-1ee2085d348b", - "metadata": {}, - "outputs": [], - "source": [ - "import mdtraj as mdt\n", - "from matplotlib import pyplot as plt\n", - "import numpy as np" - ] - }, - { - "cell_type": "markdown", - "id": "805a9465-ae01-4b9b-be42-2814688cce98", - "metadata": {}, - "source": [ - "## 2. Load some MD simulation data\n", - "\n", - "`MDTraj` works with *trajectories* - objects that encapsulate information about the behaviour of a molecular system over a period of time. \n", - "\n", - "*Trajectories* can be created by loading data from MD simulation files in a wide variety of formats (so you can use `MDTraj` with data generated by Amber, Gromacs, NAMD, Charmm, OpenMM, etc.).\n", - "\n", - "Typically each *trajectory* object contains positional information (coordinates of atoms, and how these change over time), and topological information (the names of atoms, what elements they are, what residues they belong to, what other atoms they are bonded to, etc.). To obtain this data, `MDTraj` reads both MD trajectory (or single-snapshot) coordinate files, and topology files, e.g.:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "ef3bdc7c-aad2-4d77-8580-8d13be4c844d", - "metadata": {}, - "outputs": [], - "source": [ - "# A trajectory with data from a \"production\" simulation:\n", - "t = mdt.load('5fdr_A_amber_production.nc', top='5fdr_A.prmtop')\n", - "# A single-snapshot trajectory, corresponding to the initial structure:\n", - "tref = mdt.load('5fdr_A.inpcrd', top='5fdr_A.prmtop')" - ] - }, - { - "cell_type": "markdown", - "id": "4dad9ec2-5f46-4f52-a40a-456b58178631", - "metadata": {}, - "source": [ - "A *trajectory* object , e.g. `t`, has a number of attributes:\n", - " - `t.topology`: the topology of the system.\n", - " - `t.xyz`: the coordinates of each snapshot in the form of a 3-dimensional `numpy` array [*n_frames*, *n_atoms*, 3].\n", - " - `t.time`: the timestamp for each snapshot, as a 1-dimensional `numpy` vector of length *n_frames*.\n", - " - `t.unitcell_lengths`: the dimensions of the periodic box, as a 2-dimensional `numpy` array [*n_frames*, 3].\n", - " - `t.unitcell_angles`: the periodic box angles, as a 2-dimensional `numpy` array [*n_frames*, 3].\n", - "\n", - "Coordinates and lengths are always in **nanometers**, time in **picoseconds**, and angles in **radians**\n", - "\n", - "Have a look at some of these:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "3ed1bd26-fe78-47d6-9ccd-709282faef43", - "metadata": {}, - "outputs": [], - "source": [ - "print(t) # A summary of the trajectory object\n", - "print(t.topology) # a summary of the topology object\n", - "print(t.xyz.shape) # the shape of the numpy array holding coordinates\n", - "print(t.time[:10]) # The values of the timestampos for the first 10 snapshots\n", - "print(t.unitcell_lengths[:5]) # The unit cell lengths in the first 5 snapshots" - ] - }, - { - "cell_type": "markdown", - "id": "b2d551f9-a67e-40ab-ae02-470ed9c7c89b", - "metadata": {}, - "source": [ - "## 3. Select subsets of the data\n", - "\n", - "Our trajectories contain information not just about the protein, but about the solvent and ions too. For some analyses, we may want to select out just certain subsets of all the atoms for analysis. For other analyses, we may only want to consider subsections of the whole trajectory by time (e.g. only the last nanosecond).`MDTraj` *trajectories* can be \"sliced\" in both ways.\n", - "\n", - "To select just a subset of all the snapshots, the *trajectory* objects can be sliced using standard Python syntax, e.g.:\n", - "```\n", - "t_last_nanosecond = t[50:]\n", - "t_every_100_picoseconds = t[::10]\n", - "```\n", - "To select a subset of all the atoms is a two-step process. First we use the `select` method of the *topology* object to create a list of the indices of atoms that meet the criterea we want, then we use this list of atom indices with the `atom_slice` method of a *trajectory* to create a new sub-trajectory, e.g.:\n", - "```\n", - "c_alpha_atoms = t.topology.select(\"name CA\")\n", - "t_c_alpha = t.atom_slice(c_alpha_atoms)\n", - "```\n", - "\n", - "Try both of these out at once:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "0b6653a1-8a18-44e2-b1c1-fbfb46b87019", - "metadata": {}, - "outputs": [], - "source": [ - "protein_heavy_atoms = t.topology.select('protein and mass > 2.0')\n", - "t_protein_heavy = t.atom_slice(protein_heavy_atoms)\n", - "t_protein_heavy_first_nanosecond = t_protein_heavy[:50]\n", - "# What have we created:\n", - "print(t_protein_heavy_first_nanosecond)\n", - "print(t_protein_heavy_first_nanosecond.topology)" - ] - }, - { - "cell_type": "markdown", - "id": "92d1a572-5472-471c-9090-00da12f627e3", - "metadata": {}, - "source": [ - "`MDTraj`'s atom selection syntax is very flexible - see [here](https://www.mdtraj.org/1.9.8.dev0/atom_selection.html) for a guide.\n", - "\n", - "## 4. RMSD analysis\n", - "\n", - "The first question in any MD analysis is nearly always \"how much has the structure changed over the simulation from where it started?\". The most common metric for this is the **root-mean-square deviation (RMSD)**. It is a pair-wise metric (i.e., a measure of the difference between two conformations of the same system), has a value of zero if the two conformations are identical, and gets larger as they get more different in shape. Its units are the same as the units of the coordinates - so for `MDTraj`, they will be *nanometers*. The value of the RMSD also depends on which atoms of the two systems are included in the analysis (you might choose all protein atoms, or maybe just protein heavy atoms, or maybe just backbone atoms, or maybe just C-alpha atoms). \n", - "\n", - "Let's calculate the RMSD of each snapshot in the production simulation from the reference (starting) structure, considering all protein atoms in the analysis. This used `MDTraj`'s [`.rmsd` method](https://www.mdtraj.org/1.9.8.dev0/api/generated/mdtraj.rmsd.html#mdtraj.rmsd). We will then plot the results using `matplotlib`:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "05e9049e-5dd0-404c-ab8a-8d1f25ae13f8", - "metadata": {}, - "outputs": [], - "source": [ - "times = t.time # timestamp for each snapshot\n", - "selection = t.topology.select('protein')\n", - "# Alternatives to try later:\n", - "# selection = t.topology.select('protein and mass > 2.0') # protein heavy atoms\n", - "# selection = t.topology.select('backbone') # protein backbone atoms (N, CA, C, O)\n", - "# selection = t.topology.select('name CA') # protein C-alpha atoms\n", - "rmsd = mdt.rmsd(t, tref, atom_indices=selection) # calculate RMDSs relative to the staring structure (tref)\n", - "plt.plot(times, rmsd)\n", - "plt.xlabel('time (ps)')\n", - "plt.ylabel('RMSD (nanometers)')" - ] - }, - { - "cell_type": "markdown", - "id": "d16d9ff0-161c-478a-9708-ed306310c762", - "metadata": {}, - "source": [ - "Experiment with the other atom selections suggested above. Compare the RMSD curves obtained.\n", - "\n", - "A naive interpretation of the RMSD data might be that after about 1 nanosecond, the conformation of the protein has stabilized around a shape about 0.21 nanometers RMSD from the starting shape - however we will discuss later why this may be misleading.\n", - "\n", - "## 5. Secondary structure analysis\n", - "\n", - "Another approach to considering how the conformation of the protein has changed over the MD simulation is to analyse it's *secondary structure*. For this we can use `MDTraj`'s [`.compute_dssp` method](https://www.mdtraj.org/1.9.8.dev0/api/generated/mdtraj.compute_dssp.html#mdtraj.compute_dssp). To see how it works, apply it first to the reference structure, but first cut it down to just the protein atoms:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "523ea922-018f-47f1-93ac-bdab00c892b6", - "metadata": {}, - "outputs": [], - "source": [ - "tref_protein = tref.atom_slice(tref.topology.select('protein'))\n", - "ss_ref = mdt.compute_dssp(tref_protein)\n", - "print(ss_ref)" - ] - }, - { - "cell_type": "markdown", - "id": "3fa03679-92b7-4070-9429-e623e015f346", - "metadata": {}, - "source": [ - "The output is a code for each residue in the protein ('H' = helical, 'E' = beta-strand, 'C' = random coil). Now repeat, for each snapshot in the production MD simulation:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "225e69ed-b20b-4042-bdb0-c135b47ef7a6", - "metadata": {}, - "outputs": [], - "source": [ - "t_protein = t.atom_slice(t.topology.select('protein'))\n", - "ss = mdt.compute_dssp(t_protein)\n", - "print(ss[0]) # just print the codes for the first snapshot" - ] - }, - { - "cell_type": "markdown", - "id": "7d721182-b168-4d42-8f80-0b4bd9882f64", - "metadata": {}, - "source": [ - "Because of `MDTraj`'s close relationship with `numpy`, we can now use `numpy` tricks to calculate the percentage of the amino acids in each snaphot of the production simulation that are in the same secondary structure class as they are in the initial structure:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "5183ffdb-dde3-4cae-9126-0e595a9c4f65", - "metadata": {}, - "outputs": [], - "source": [ - "n_residues = len(ss[0])\n", - "percent_conservation = 100 * (ss == ss_ref[0]).sum(axis=1) / n_residues\n", - "plt.plot(percent_conservation)\n", - "plt.xlabel('time (ps)')\n", - "plt.ylabel('secondary structure conservation (%)')" - ] - }, - { - "cell_type": "markdown", - "id": "8d2de119-2b43-4cd0-a27e-62143ad4567f", - "metadata": {}, - "source": [ - "We can see that over the whole simulation, typically around 95% of the original secondary structure is conserved.\n", - "\n", - "## 6. Solvent accessible surface analysis\n", - "\n", - "We recall that one of the reasons we are doing this MD simulation is to see if the hydrophobic groove in the Mcl-1 protein structure that binds bax/bak and is also the target for small molecule inhibitors is stable in their absence, since it's exposure to solvent could be energetically unfavourable.\n", - "\n", - "`MDTraj` implements the [Shrake-Rupley method](https://www.mdtraj.org/1.9.8.dev0/api/generated/mdtraj.shrake_rupley.html#mdtraj.shrake_rupley) to calculate solvent accessible surface areas (SASA) for snapshots in a trajectory. To calculate the approximate contributions of polar and non-polar atoms to this, we can:\n", - "\n", - "1. Strip the trajectory down to just protein heavy atoms.\n", - "2. Calculate the solvent accessible surface area of each atom in each snapshot.\n", - "3. For each snapshot, sum the SASA of all C and S atoms to get the hydrophobic component.\n", - "4. Do the same for all N and O atoms to get the hydrophilic component.\n", - "\n", - "Here's the code:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "cb90cae8-758c-4895-99f2-07abf0a2068f", - "metadata": {}, - "outputs": [], - "source": [ - "sasa = mdt.shrake_rupley(t_protein_heavy)\n", - "hydrophobic_atoms = t_protein_heavy.topology.select('element C or element S')\n", - "hydrophobic_sasa = sasa[:, hydrophobic_atoms].sum(axis=1)\n", - "hydrophilic_atoms = t_protein_heavy.topology.select('element N or element O')\n", - "hydrophilic_sasa = sasa[:, hydrophilic_atoms].sum(axis=1)\n", - "times = t_protein_heavy.time\n", - "plt.plot(times, hydrophobic_sasa, label='hydrophobic atoms')\n", - "plt.plot(times, hydrophilic_sasa, label='hydrophilic atoms')\n", - "plt.xlabel('time (ps)')\n", - "plt.ylabel('SASA (nm^2)')\n", - "plt.legend()" - ] - }, - { - "cell_type": "markdown", - "id": "d45dfc87-9216-4725-917d-3133bdc12688", - "metadata": {}, - "source": [ - "We cvan see that, as might have been predicted, as the simulation progresses there is a modest but noticeable reduction in the amount of hydrophobic surface area of the protein that is exposed to solvent, while the amount of hydrophilic surface area stays about the same." - ] - }, - { - "cell_type": "markdown", - "id": "04eb5fe5-f55a-4c42-9399-ce3dd3e47810", - "metadata": {}, - "source": [ - "## Summary\n", - "\n", - "In this workshop we have just scratched the surface of what `MDTraj` can do. See the [examples page on the MDTraj website](https://www.mdtraj.org/1.9.8.dev0/examples/index.html) for many more ideas." - ] - }, - { - "cell_type": "code", - "execution_count": null, - "id": "d0060cbc-b48f-410e-9839-def73a4aeaa8", - "metadata": {}, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3 (ipykernel)", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.13.4" - } - }, - "nbformat": 4, - "nbformat_minor": 5 -} diff --git a/1_analysis_introduction.ipynb b/1_analysis_introduction.ipynb new file mode 100644 index 0000000..16fe791 --- /dev/null +++ b/1_analysis_introduction.ipynb @@ -0,0 +1,664 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "f9f86446-e8a3-48b5-9fcb-a7be76ce621d", + "metadata": {}, + "source": [ + "# Analysis of MD Data with MDTraj\n", + "\n", + "## Background\n", + "There are a number of Python packages available to help with the analysis of MD simulation data, and one of them is [MDTraj](www.mdtraj.org).\n", + "\n", + "This workbook provides a very quick tour of some of its basic functionality - read the online documentation to learn much more!\n", + "\n", + "## Part 1: Importing data from MD trajectory files\n", + "\n", + "Start by importing the required packages. As well as MDTraj you will use [nglview](nglview.org) to visualise molecular structures in the notebook." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "7679adfd-9668-41b6-8ca7-e9d8f0e94a74", + "metadata": {}, + "outputs": [], + "source": [ + "import mdtraj as mdt\n", + "import nglview as nv\n", + "from matplotlib import pyplot as plt\n", + "import numpy as np" + ] + }, + { + "cell_type": "markdown", + "id": "422b96c3-4d37-44db-aea3-9bc8144372bd", + "metadata": {}, + "source": [ + "The simulations you ran in the previous **OpenMM** workshop were very short (20 picoseconds) - just long enough for you to get to understand the process. While since then you may have generated some longer simulations of your own using **AMBER**, we have also prepared a much longer \"production\" simulation for you to analyse here. It consists of 1000 frames (snapshots) of the system, collected over 50 nanoseconds of simulation time. To make the files smaller, we have also pre-processed them by removing all the data for the dynamics of the solvent (water and ions), that is why you see \"dry\" in the file names.\n", + "\n", + "So we begin by loading this trajectory data, creating an `MDTrajectory` object we call `traj`:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "586696bb-40d8-4948-a7c2-fb88fdb9931a", + "metadata": {}, + "outputs": [], + "source": [ + "traj = mdt.load('data/abl_ligand_prod_dry.nc', top='data/abl_ligand_dry.pdb')" + ] + }, + { + "cell_type": "markdown", + "id": "a5f215b2-6d8a-4c3f-b73b-7a0a46dc8b7d", + "metadata": {}, + "source": [ + "`traj` is our trajectory as an instance of an `MDTrajectory`. It has some useful attributes and methods, a very few of which we will explore here.\n", + "\n", + "First you can find out a little about what it represents by `print`ing it:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "d087d8cf-f9ff-45c8-9fe7-6d77a5be208c", + "metadata": {}, + "outputs": [], + "source": [ + "print(traj)" + ] + }, + { + "cell_type": "markdown", + "id": "76fab161-9ca5-4bf1-a981-4dda7bf664d0", + "metadata": {}, + "source": [ + "It contains a `topology` object, that describes aspects of the system that are time-invariant:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "7b44fa62-30b2-45f3-8592-4827b4f5b4ce", + "metadata": {}, + "outputs": [], + "source": [ + "print(traj.topology)" + ] + }, + { + "cell_type": "markdown", + "id": "60ba6df7-5294-41c6-958f-4fdb3d12be0d", + "metadata": {}, + "source": [ + "A trajectory has some basic attributes:\n", + "| | |\n", + "|--------|-----------|\n", + "| `traj.xyz` | a [n_frames, n_atoms, 3] numpy array of the coordinates (in nanometers).|\n", + "| `traj.unitcell_vectors` | a [n_frames, 3, 3] numpy array of unit cell data for each frame.|\n", + "| `traj.time` | a [n_frames] numpy vector with the timestamps for each frame (in picoseconds).|\n", + "\n", + "\n", + "\n", + "Trajectories can be *sliced*. For example, here we create a single-frame trajectory from the first snapshot in our full trajectory:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "fba976a9-8725-4fba-b7d1-1e1962644e63", + "metadata": {}, + "outputs": [], + "source": [ + "tref = traj[0]" + ] + }, + { + "cell_type": "markdown", + "id": "2a470667-ea92-4e72-86f0-e42ed246353a", + "metadata": {}, + "source": [ + "As well as slicing trajectories along the time axis, you can slice them along the atoms axis - i.e., create new trajectories for just a subset of the atoms. This is a two stage process: first you use the `'select()` method of an `mdtraj.Topology` to find the indices of the atoms that match the selection you require using a selection language explained [here](https://mdtraj.readthedocs.io/en/latest/atom_selection.html), then you use this with the `atom_slice()` method of an `mdtraj.Trajectory` to make a new trajectory. You will see these methods used in the code sections below." + ] + }, + { + "cell_type": "markdown", + "id": "a35cf675-72c7-4843-a19c-b9b04e3e3d01", + "metadata": {}, + "source": [ + "## Part 2: RMSD analysis\n", + "\n", + "`MDTraj` has many simulation analysis methods let's start by lookling at RMSD calculation. Remember RMSD is a measure of the \"distance\" between two conformations of a molecule in shape space. We calculate the RMSD of each frame relative to the structure in the first frame of the trajectory. Notice how we use the simulation time, also stored in the `traj` object, to scale our x-axis:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "e2c40489-c39c-4ae5-a8c9-63211b4e77d7", + "metadata": {}, + "outputs": [], + "source": [ + "rmsd = mdt.rmsd(traj, traj[0])\n", + "plt.plot(traj.time, rmsd)\n", + "plt.xlabel('time (ps)')\n", + "plt.ylabel('RMSD (nm)')" + ] + }, + { + "cell_type": "markdown", + "id": "83477ff9-0bd2-4452-8f7b-c98dab8c0647", + "metadata": {}, + "source": [ + "The graph shows the structure moving away from the initial conformation, but after a while it seems to \"plateau\".\n", + "\n", + "This RMSD is calculated including **all** atoms in the structure - both protein and ligand atoms. It can be useful to drill down a bit, and see if some parts of the system are changing shape more rapidly or more significantly than others.\n", + "\n", + "Here we do the RMSD considering just a) protein C-alpha atoms and b) ligand atoms, using the `select()` method mentioned earlier:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "2c3ea3f3-e2c6-4649-bedd-e50ec4b63ffa", + "metadata": {}, + "outputs": [], + "source": [ + "ca_atoms = traj.topology.select('name CA')\n", + "rmsd_ca = mdt.rmsd(traj, traj[0], atom_indices=ca_atoms)\n", + "ligand_atoms = traj.topology.select('resname LIG')\n", + "rmsd_lig = mdt.rmsd(traj, traj[0], atom_indices=ligand_atoms)\n", + "plt.plot(traj.time, rmsd_ca, label='protein Calpha atoms')\n", + "plt.plot(traj.time, rmsd_lig, label='ligand atoms')\n", + "plt.xlabel('time (ps)')\n", + "plt.ylabel('RMSD (nm)')\n", + "plt.legend()" + ] + }, + { + "cell_type": "markdown", + "id": "3803dcc6-e85e-4f66-bae4-0c1823055c5c", + "metadata": {}, + "source": [ + "Trends in both lines are very similar, showing how the dynamics of the protein and the ligand are coupled by their molecular interactions. The fact that the line for the ligand plateaus at a lower level than that for the protein C-alpha atoms is not that significant, as RMSD values are generally sensitive to the size of the objects being compared, and there are 268 C-alpha atoms in the protein, but only 68 atoms in the ligand." + ] + }, + { + "cell_type": "markdown", + "id": "ce923609-5660-468b-b457-7c96e9218561", + "metadata": {}, + "source": [ + "## RMSF analysis\n", + "RMSD analysis addresses the basic question \"How much has my structure changed relative to where it started?\". Another basic question is \"Which part of my structure is moving about the most, and which is most rigid?\". We can look at this second question using root mean square fluctuation (RMSF) analysis. This measures the average distance of each atom (or group of atoms) from their positions in a reference structure, which is typically the time-averaged one.\n", + "\n", + "MDTraj provides a function to do this, but it only at the 'per atom' level. It's more useful at the 'per residue' level, so there is a bit of extra work to do to get this:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "a42d367b-9ad5-45e2-ae5d-87d9d893c812", + "metadata": {}, + "outputs": [], + "source": [ + "rmsfs = mdt.rmsf(traj, None) # atom-based rmsfs\n", + "residue_indices = []\n", + "for r in traj.topology.residues:\n", + " residue_indices.append([a.index for a in r.atoms])\n", + "residue_rmsfs = [rmsfs[ri].mean() for ri in residue_indices] # residue-based rmsfs\n", + "plt.plot(residue_rmsfs)\n", + "plt.xlabel('residue index')\n", + "plt.ylabel('RMSF (nm)')" + ] + }, + { + "cell_type": "markdown", + "id": "8d4abe7d-0d81-4de7-b9c6-dec33eed2643", + "metadata": {}, + "source": [ + "We see alternating regions of higher and lower mobility in the structure. To understand this better, we can combine `mdtraj` with `nglviewer` to produce an image of the complex colour-coded by RMSF. The process is slightly involved - it requires a temporary PDB format file to be generated with the RMSF data in the B-factor column, which is then read in and displayed by nglviewer - but should be easy enough to understand:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "db0bac6e-aab9-4b96-9235-3e722d0336e8", + "metadata": {}, + "outputs": [], + "source": [ + "with mdt.formats.PDBTrajectoryFile('tmp.pdb', 'w') as f:\n", + " f.write(tref.xyz[0] * 10, tref.topology, bfactors=rmsfs)\n", + "view = nv.show_file('tmp.pdb')\n", + "view.clear_representations()\n", + "view.add_representation('cartoon', 'protein', color_scheme='bfactor')\n", + "view.add_representation('ball+stick', 'ligand', color_scheme='bfactor')\n", + "view" + ] + }, + { + "cell_type": "markdown", + "id": "e65b5ef5-2a71-4fbf-9a77-0c699e4bbb79", + "metadata": {}, + "source": [ + "The most mobile parts of the structure are in blue, the most rigid in red. As you might expect, the most mobile regions are typically surface loops, while the buried core of the protein is most rigid." + ] + }, + { + "cell_type": "markdown", + "id": "7275172b-23fe-4d3e-ba71-7c5e641d338a", + "metadata": {}, + "source": [ + "## Part 3: Secondary structure analysis\n", + "\n", + "Another approach to considering how the conformation of the protein has changed over the MD simulation is to analyse it's secondary structure. For this we can use MDTraj's .compute_dssp method. To see how it works, apply it first to the reference structure, but first cut it down to just the protein atoms:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "63bd09cd-7953-4a7c-95b0-c69738b4d5e5", + "metadata": {}, + "outputs": [], + "source": [ + "tref_protein = tref.atom_slice(tref.topology.select('protein'))\n", + "ss_ref = mdt.compute_dssp(tref_protein)\n", + "print(ss_ref)" + ] + }, + { + "cell_type": "markdown", + "id": "c5e06f1a-7684-4c84-9743-a35555cbe342", + "metadata": {}, + "source": [ + "The output is a code for each residue in the protein ('H' = helical, 'E' = beta-strand, 'C' = random coil). \n", + "\n", + "Now repeat, for each snapshot in the production MD simulation:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "b53c5484-c8e5-4a35-a86a-6e9de936914a", + "metadata": {}, + "outputs": [], + "source": [ + "t_protein = traj.atom_slice(traj.topology.select('protein'))\n", + "ss = mdt.compute_dssp(t_protein)" + ] + }, + { + "cell_type": "markdown", + "id": "7285e37e-a383-404c-9352-37e933874234", + "metadata": {}, + "source": [ + "Because of MDTraj's close relationship with numpy, we can now use numpy tricks to calculate the percentage of the amino acids in each snaphot of the production simulation that are in the same secondary structure class as they are in the initial structure:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "8c22edaa-afd8-4713-ab8e-59c762aa68d3", + "metadata": {}, + "outputs": [], + "source": [ + "n_residues = len(ss[0])\n", + "percent_conservation = 100 * (ss == ss_ref[0]).sum(axis=1) / n_residues\n", + "plt.plot(percent_conservation)\n", + "plt.xlabel('time (ps)')\n", + "plt.ylabel('secondary structure conservation (%)')" + ] + }, + { + "cell_type": "markdown", + "id": "1fd20ea3-8a99-4349-a50c-4e86173db1ed", + "metadata": {}, + "source": [ + "We can see that over the whole simulation, typically around 90% of the original secondary structure is conserved." + ] + }, + { + "cell_type": "markdown", + "id": "8b5385e4-4436-48d3-bc35-083061a0d176", + "metadata": {}, + "source": [ + "## Part 4: Solvent accessible surface analysis\n", + "\n", + "MDTraj implements the Shrake-Rupley method to calculate solvent accessible surface areas (SASA) for snapshots in a trajectory. To calculate the approximate contributions of polar and non-polar atoms to this, we can:\n", + "\n", + "Strip the trajectory down to just protein heavy atoms.\n", + "Calculate the solvent accessible surface area of each atom in each snapshot.\n", + "For each snapshot, sum the SASA of all C and S atoms to get the hydrophobic component.\n", + "Do the same for all N and O atoms to get the hydrophilic component.\n", + "Here's the code:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "14ef62cc-f349-4444-a9d1-6309c958d586", + "metadata": {}, + "outputs": [], + "source": [ + "sasa = mdt.shrake_rupley(traj)\n", + "hydrophobic_atoms = traj.topology.select('element C or element S')\n", + "hydrophobic_sasa = sasa[:, hydrophobic_atoms].sum(axis=1)\n", + "hydrophilic_atoms = traj.topology.select('element N or element O')\n", + "hydrophilic_sasa = sasa[:, hydrophilic_atoms].sum(axis=1)\n", + "times = traj.time\n", + "plt.plot(times, hydrophobic_sasa, label='hydrophobic atoms')\n", + "plt.plot(times, hydrophilic_sasa, label='hydrophilic atoms')\n", + "plt.xlabel('time (ps)')\n", + "plt.ylabel('SASA (nm^2)')\n", + "plt.legend()" + ] + }, + { + "cell_type": "markdown", + "id": "cf1c838e-9ce4-47df-b266-cfa6d1f6e266", + "metadata": {}, + "source": [ + "As one might have hoped, the hydrophilic atoms are much more solvent-exposed than hydrophobic ones. Both lines on the graph are pretty stable, indicating no particular structural reorganisation (e.g. to increase the solvent exposure of hydrophilic atoms, or decrease that of hydrophobic ones)." + ] + }, + { + "cell_type": "markdown", + "id": "233575db-6204-445d-8f9a-771956e4e893", + "metadata": {}, + "source": [ + "## Part 5: Waymark analysis\n", + "\n", + "So, looking back at the graphs in Part 2, what does the RMSD analysis suggest has been going on in the MD simulation? It might be tempting to hope that it shows the structure arriving at a low-energy basin in a region of the shape space and then just moving around within it (i.e. staying more or less the same shape), because the distance from the initial conformation (what the RMSD measures) stays more or less the same.\n", + "\n", + "However this simple (but very commonly used) RMSD analysis is not actually a good way to check this. A better approach is \"waymarking\". This involves tracking the progress of a simulation, and marking as \"waypoints\" each snapshot that is more than some maximum distance (RMSD) from any previous waypoint. If a simulation stops exploring new regions of shape space after a while, it will stop generating new waypoints.\n", + "\n", + "Waypointing is not built in to MDTraj, so we need to create our own function to do it:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "da71b458-1e08-42fb-be36-e37726ccdf3a", + "metadata": {}, + "outputs": [], + "source": [ + "def waymark(traj, dmax, atom_indices=None, max_waymarks=100):\n", + " '''\n", + " Waymark a trajectory\n", + "\n", + " Work through the snapshots in a trajectory from first to last, saving as \"waymarks\" each one encountered\n", + " that is > dmax nanometers RMSD from any previously waymarked snapshot.\n", + "\n", + " Also return a list of labels - the waymark each frame in the trajectory is closest to.\n", + " '''\n", + "\n", + " n_waymarks = 0\n", + " rmsds = np.ones((max_waymarks, traj.n_frames)) * 1000.0\n", + " current_waymark = 0\n", + " next_waymark = 1\n", + " while next_waymark > 0 and n_waymarks < max_waymarks:\n", + " if atom_indices is not None:\n", + " rmsd = mdt.rmsd(traj, traj[current_waymark], atom_indices=atom_indices)\n", + " else:\n", + " rmsd = mdt.rmsd(traj, traj[current_waymark])\n", + " rmsds[n_waymarks] = rmsd\n", + " next_waymark = (rmsds.min(axis=0) > dmax).argmax()\n", + " if next_waymark > 0:\n", + " current_waymark = next_waymark\n", + " n_waymarks += 1\n", + " \n", + " rmsdmin = rmsds.min(axis=0)\n", + " if np.any(rmsdmin > dmax):\n", + " print(f'Error - more than {max_waymarks} found.')\n", + " return None, None\n", + " else:\n", + " waymarks = []\n", + " labels = rmsds.argmin(axis=0)\n", + " label_order = []\n", + " for i, l in enumerate(labels):\n", + " if not l in label_order:\n", + " label_order.append(l)\n", + " waymarks.append(i)\n", + " labels = [label_order.index(l) for l in labels]\n", + " return waymarks, labels" + ] + }, + { + "cell_type": "markdown", + "id": "760541c3-7447-43d5-9bc7-e683973b1cba", + "metadata": {}, + "source": [ + "Now run it. The value of `dmax`, the maximum distance (RMSD) one snapshot can be from any waymark without itself being a new waymark, is something that the user must define, and typically may need to be found by trial and error. But a good place to start is with a value just a bit lower than the 'plateau' value seen in the plot above." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "fbbd1bac-3123-4556-b70d-803dc35e2fef", + "metadata": {}, + "outputs": [], + "source": [ + "dmax_protein = 0.15\n", + "dmax_ligand = 0.08\n", + "wm_ca, ca_labels = waymark(traj, dmax_protein, atom_indices=ca_atoms)\n", + "wm_lig, lig_labels = waymark(traj, dmax_ligand, atom_indices=ligand_atoms)\n", + "print(f'{len(wm_ca)} waymarks found for the protein Calpha atoms')\n", + "print(f'{len(wm_lig)} waymarks found for the ligand atoms')" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "bdcf2c43-4e87-45f2-8aad-b76eefd504a9", + "metadata": {}, + "outputs": [], + "source": [ + "# Now plot the total number of waymarks found a a function of the length of the simulation:\n", + "plt.figure(figsize=(10, 5))\n", + "plt.subplot(121)\n", + "# nwm_ca = [(wm_ca <= i).sum() for i in range(traj.n_frames)]\n", + "nwm_ca = [len(set(ca_labels[:i+1])) for i in range(traj.n_frames)]\n", + "plt.plot(traj.time, nwm_ca)\n", + "plt.xlabel('time (ps)')\n", + "plt.ylabel('number of waymarks')\n", + "plt.title('Calpha waymarks')\n", + "plt.subplot(122)\n", + "# nwm_lig = [(wm_lig <= i).sum() for i in range(traj.n_frames)]\n", + "nwm_lig = [len(set(lig_labels[:i+1])) for i in range(traj.n_frames)]\n", + "plt.plot(traj.time, nwm_lig)\n", + "plt.xlabel('time (ps)')\n", + "plt.ylabel('number of waymarks')\n", + "plt.title('Ligand waymarks')\n", + "plt.tight_layout()" + ] + }, + { + "cell_type": "markdown", + "id": "6b99a294-216a-42c9-af11-0107128d2d46", + "metadata": {}, + "source": [ + "While from the RMSD plots it might have been thought that little was changing after 5-10 nanoseconds of simulation, the waymarking shows that new areas of conformational space are being sampled until at least 30 nanoseconds in the case of the protein, and 20 nanoseconds in the case of the ligand. And for the protein in particular, one might well suspect that a longer simulation might lead to further areas of shape space being discovered.\n", + "\n", + "This is so far only half the story - what's also of relevance is the degree to which the trajectory revisits (or does not revisit) individual waymarks over time. This gives insights into the transition of the simulation from a relaxation/equilibration phase, where waymarks are left and never returned to, to the sampling phase where waymarks are repeatedly revisited. Let's plot that:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "8d8f77e2-ccd2-4c6b-8cd4-c66e1b59c6f4", + "metadata": {}, + "outputs": [], + "source": [ + "plt.subplot(121)\n", + "plt.plot(traj.time, ca_labels, '*')\n", + "plt.xlabel('time (ps)')\n", + "plt.ylabel('waymark labels')\n", + "plt.title('Calpha waymarks')\n", + "plt.subplot(122)\n", + "plt.plot(traj.time, lig_labels, '+')\n", + "plt.xlabel('time (ps)')\n", + "plt.ylabel('waymark labels')\n", + "plt.title('Ligand waymarks')\n", + "plt.tight_layout()" + ] + }, + { + "cell_type": "markdown", + "id": "67993d2e-4ff8-4d07-b63b-3710c9d14112", + "metadata": {}, + "source": [ + "The plots show that, for the protein, only the first four waypoints mark regions of shape space that are never, or almost never, revisited once left for the first time, before the simulation enters the first region of shape space that is then repeatedly returned to throughout the remains of the simulation (waymark 4). For the ligand, there is no evidence of any equilibration/relaxation phase at all. even the area of shape space associated with the inital waymark (0), is repeatedly revisited throughout the simulation.\n", + "\n", + "## Part 6: Hydrogen bonding analysis\n", + "\n", + "Though MDTraj doesn't know about waymarking, it has built-in functions to do many other types of trajectory analysis, including H-bonding.\n", + "\n", + "The `baker_hubbard` function analyses a trajectory to automatically detect all the hydrogen bonds present, and reports back the identities of all those that appear a significant proportion of the time. Many of these will be H-bonds between one part of the protein and another, so if, as here, we want to just look at interactions between the protein and the ligand, we need to filter them out afterwards.\n", + "\n", + "Once we know the identities of the atoms concerned, we can then use another MDTraj function to extract the associated H-bond distances." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "fc00f627-7243-4414-a7a1-7e0807293707", + "metadata": {}, + "outputs": [], + "source": [ + "# Find H-bonds present at least 50% of the time:\n", + "hb_atoms = mdt.baker_hubbard(traj, freq=0.5)\n", + "# hb_atoms is a list of tuples. Each tuple contains the index of the donor heavy atom,\n", + "# the donor H atom, and the acceptor heavy atom, in that order.\n", + "# Filter out those that are between the protein and the ligand, and only keep the\n", + "# heavy atoms:\n", + "intermolecular_hb_atoms = [(h[0], h[2]) for h in hb_atoms if \n", + " (h[2] not in ligand_atoms and h[0] in ligand_atoms)\n", + " or (h[0] not in ligand_atoms and h[2] in ligand_atoms)]\n", + "dij = mdt.compute_distances(traj, intermolecular_hb_atoms)" + ] + }, + { + "cell_type": "markdown", + "id": "d17d06ec-27d8-452e-9fe9-e69e5dacc0a4", + "metadata": {}, + "source": [ + "Plot the H-bond distances (heavy atom to heavy atom):" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "244489f1-9b67-47bb-8e07-481d27de52aa", + "metadata": {}, + "outputs": [], + "source": [ + "labels = [f'{traj.topology.atom(i)}-{traj.topology.atom(j)}' \n", + " for i, j in intermolecular_hb_atoms]\n", + "for i, l in enumerate(labels):\n", + " plt.plot(traj.time, dij[:, i], label=l)\n", + "plt.xlabel('time (ps)')\n", + "plt.ylabel('H-bond distance')\n", + "plt.legend()" + ] + }, + { + "cell_type": "markdown", + "id": "e8124af3-78df-4225-8075-de4d93f4a59a", + "metadata": {}, + "source": [ + "With slightly more complex code we could make the plot prettier, but it's clear enough that, since a strong H-bond requires the donor and acceptor atoms to be < 0.35 nanometers apart, some H-bonds are better maintained than others.\n", + "\n", + "The bond formed by the ligand N4 atom seems particularly stable, the one formed by N6 slightly less so. The H-bond formed by N1 flips off and on, while those formed by N3 and N2 seem to get broken later on in the simulation.\n", + "\n", + "\n", + "\n", + "\n", + "Are we witnessing the early stages of a process that will ultimately result in the ligand dissociating from the protein altogether? The apparent gradual \"loosening\" of the interactions hints at this, but only a much longer simulation could confirm it.\n", + "\n", + "Notice that this H-bonding analysis suggests that the complex is moving into new regions of shape space beyond the 30 ns time point, which might seem at odds with the behaviour of the protein and ligand revealed by the waymarking analysis. But in fact there is no discrepancy; the analysis shows that while *individually* the protein and ligand components of the complex equilibrate rapidly, their interaction does not.\n", + "\n", + "We can check this by going back to waymarking analysis, but this time over the *whole* ligand-protein complex, not individually on separate protein and ligand components:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "371dfccb-005a-48c0-baad-70989de7e269", + "metadata": {}, + "outputs": [], + "source": [ + "wm_complex, complex_labels = waymark(traj, 0.2)\n", + "nwm_complex = [len(set(complex_labels[:i+1])) for i in range(traj.n_frames)]\n", + "plt.subplot(121)\n", + "plt.plot(traj.time, nwm_complex)\n", + "plt.xlabel('time (ps)')\n", + "plt.ylabel('number of waymarks')\n", + "plt.title('Complex waymarks')\n", + "plt.subplot(122)\n", + "plt.plot(traj.time, complex_labels, '*')\n", + "plt.xlabel('time (ps)')\n", + "plt.ylabel('waymark labels')\n", + "plt.title('Complex waymarks')\n", + "plt.tight_layout()" + ] + }, + { + "cell_type": "markdown", + "id": "13cae22a-7e2d-4330-8400-1e483301e364", + "metadata": {}, + "source": [ + "The plots evidence a more-or-less unidirectional drift of the complex across its shape-space - there is no evidence that so far we have moved beyond the equilibration phase of the simulation.\n", + "\n" + ] + }, + { + "cell_type": "markdown", + "id": "776119d1-0fac-4249-9fba-4cfad10c338f", + "metadata": {}, + "source": [ + "## Summary\n", + "\n", + "The aim of this workshop has been to introduce you to some of the most basic types of trajectory analysis, which are generally concerned with establishing the degree to which the simulation has equilibrated, and explored its shape space. As is quite usual, in this case the conclusion is going to be that more simulation is going to be needed before we can say we have a converged picture of the molecular dynamics of this system.\n", + "\n", + "Feel free to use this notebook as the basis for an analysis of your own simulation data, if you have some! In this workshop we have just scratched the surface of what `MDTraj` can do. See the [examples page on the MDTraj website](https://www.mdtraj.org/1.9.8.dev0/examples/index.html) for many more ideas.\n", + "\n", + "**Note**: To do this, you will first have to remove the water and ions from your simulation trajectory, using code something like this:\n", + "```\n", + "hydrated_traj = mdt.load('hydrated_traj.nc', top='hydrated_topology.prmtop')\n", + "solute = hydrated_traj.topology.select('protein or resname LIG') # or your ligand may be called \"UNL\"\n", + "dry_traj = hydrated_traj.atom_slice(solute)\n", + "```\n", + "Then carry on with `dry_traj`.\n" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "18bfa5b8-6332-44dc-85f7-f51b7ab67a3f", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.14.7" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/2_EQUILIBRATION/Equilibration.ipynb b/2_EQUILIBRATION/Equilibration.ipynb deleted file mode 100644 index b29c246..0000000 --- a/2_EQUILIBRATION/Equilibration.ipynb +++ /dev/null @@ -1,321 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "# Assessing equilibration in MD simulations\n", - "\n", - "\n", - "## Introduction\n", - "\n", - "If we plot the temperature of a MD simulation as it progresses we will almost always see a graph of this general form:\n", - "\n", - "![fig](equilt.png)\n", - "\n", - "We will likely get the same sort of plot for other physical metrics - e.g. density. \n", - "\n", - "Our model for how molecular dynamics simulations progress from their point of initialization is heavily influenced by this: that there is first an equilibration phase, and then a \"production phase\". If we wish to model the behaviour of an equilibrated system, then only data from the production phase is relevant. In the example shown here, we might decide that the system is equilibrated after about 300-400 snapshots.\n", - "\n", - "The problem with this approach is that depending on the metric we use, the point at which a simulation seems equilibrated can appear to vary. For example, equilibration of temperature may seem to occur faster than equilibration of density. Which metric is most relevant? \n", - "\n", - "A common choice in MD work is to look at the root mean square deviation of the cooordinates (RMSD) from the starting structure. Plots of RMSD against time very often look similar to the one above, though the time to reach a stable value is typically much longer than for temperature or pressure. \n", - "\n", - "Whatever metric is chosen, a second, more subtle, aspect of equilibration that this model encourages is that it is something that can be assessed **before** the data collection phase begins.\n", - "\n", - "The aim of this notebook is to:\n", - "\n", - "* Illustrate that RMSD is generally not a good metric to use to assess equilibration\n", - "* Illustrate that thinking of equilibration as something that can be assessed independently of the production phase is not the best approach.\n", - "\n", - "----------\n", - "\n", - "The data comes from a 4 microsecond simulation of chignolin: a small peptide that oscillates between a folded and unfolded state. The simulation comes from a tutorial created by Lillian Chong's group at the University of Pittsburgh for their advanced sampling software [WESTPA](https://westpa.github.io/westpa/) - please checkout this package, it's very useful and well documented!\n", - "\n", - "In ther first part of the notebook we explore the conventional approach: we imagine we just have the data from the first 300 nanoseconds of the simulation (1500 snapshots), and see what RMSD analysis suggests the equilibration time is.\n", - "\n", - "In the second part of the notebook we explore a more \"holistic\" approach to analysing equilibration and sampling.\n", - "\n", - "----\n", - "\n", - "Begin by loading the required Python packages: numpy for the maths, mdtraj for trajectory analysis, matplotlib for the graphs:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "import numpy as np\n", - "import mdtraj as mdt\n", - "from matplotlib import pyplot as plt" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Part 1: Estimating equilibration from RMSD plots\n", - "\n", - "Load the first 1500 frames of the trajectory file, calculate the rmsd of each snapshot from the first, and plot:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "t = mdt.load('chignolin.xtc', top='chignolin.pdb')[:1500]\n", - "r = mdt.rmsd(t, t[0])\n", - "plt.plot(r)\n", - "plt.xlabel('snapshot number')\n", - "plt.ylabel('rmsd (nanometers)')" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "It looks like there is some sort of equilibration after 700 snapshots, rmsd stabilizing around 0.4-0.5 nm. Recalculate the rmsd using snapshot 700 as the starting point and reference:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "r = mdt.rmsd(t[700:], t[700])\n", - "plt.plot(range(700, 1500), r)\n", - "plt.xlabel('snapshot number')\n", - "plt.ylabel('rmsd (nanometers)')" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Oh - now it looks like there is some sort of equilibration after 1000 snapshots, rmsd stabilizing around 0.4-0.5 nm. Try again, recalculate the rmsd using snapshot 1000 as the starting point and reference:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "r = mdt.rmsd(t[1000:], t[1000])\n", - "plt.plot(range(1000, 1500), r)\n", - "plt.xlabel('snapshot number')\n", - "plt.ylabel('rmsd (nanometers)')" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Oh - now it looks like there is some sort of equilibration after 1100 snapshots, rmsd stabilizing around 0.4-0.5 nm. Try again, recalculate the rmsd using snapshot 1100 as the starting point and reference:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "r = mdt.rmsd(t[1100:], t[1100])\n", - "plt.plot(range(1100, 1500), r)\n", - "plt.xlabel('snapshot number')\n", - "plt.ylabel('rmsd (nanometers)')" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "It seems we could go on for ever like this - chopping off more and more of the initial data, but never quite getting to what looks like a fully equilibrated system.\n", - "\n", - "**However...**\n", - "\n", - "Instead of just loooking at the first 300ns (1500 snapshots), let's look at the full 4 microseconds of data:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "t = mdt.load('chignolin.xtc', top='chignolin.pdb')\n", - "r = mdt.rmsd(t, t[0])\n", - "plt.plot(r)\n", - "plt.xlabel('snapshot number')\n", - "plt.ylabel('rmsd (nanometers)')" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "We have a problem! The idea that the RMSD is going to stablize to a more-or-less constant value representative of equilibrium is clearly wrong. How do we deal with this situation? In part 2 of the notebook we look at one possible approach." - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Part 2: A holistic approach to the estimation of equilibration\n", - "\n", - "The RMSD plot above actually makes sense: over the MD the peptide is 'flipping' between a folded state (rmsd < 0.35 nanometers) and unfolded state(s) (rmsd > 0.35 nanometers). There is also, presumably, some form of equilibration going on as well though - but where is it?\n", - "\n", - "The first thing is to decide what the metric of interest is - what ultimately was the purpose of doing this simulation? Let's assume it was to make a prediction of the fraction of the time the peptide adopts a folded state, `f_folded`. Taking all the data, calculate `f_folded`:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "f_folded = (r < 0.35).sum() / len(r)\n", - "print('f_folded = {}'.format(f_folded))" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "How well converged is this value? Calculate `f_folded` for the first and second halves of the simulation independently, and compare:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "half_data = len(r) // 2\n", - "ff1 = (r[:half_data] < 0.35).sum()/half_data\n", - "ff2 = (r[half_data:] < 0.35).sum()/half_data\n", - "print('f_folded from 1st half of simulation: {}'.format(ff1))\n", - "print('f_folded from 2nd half of simulation: {}'.format(ff2))" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "The two estimates are very different from each other. Maybe this is because the first half of the complete simulation includes an equilibration phase, for which the data should not be included.\n", - "\n", - "The code below trims off larger and larger sections from the start of the trajectory then calculates `f_folded` for the first and second halves of what data remains. From these it calculates the mean and unsigned difference. Finally the data is plotted." - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "delta_f_folded = []\n", - "mean_f_folded = []\n", - "# trim off up to 10,000 snapshots (half of all the data) in 100 snapshot increments:\n", - "discarded_snapshots = range(0, 10000, 100)\n", - "for neq in discarded_snapshots: \n", - " req = r[neq:]\n", - " l = len(req) // 2\n", - " ff1 = (req[:l] < 0.35).sum() / l\n", - " ff2 = (req[l:] < 0.35).sum() / l\n", - " delta_f_folded.append(np.abs(ff1 - ff2))\n", - " mean_f_folded.append((ff1 + ff2) / 2)\n", - "\n", - "plt.plot(discarded_snapshots, delta_f_folded, label='difference')\n", - "plt.plot(discarded_snapshots, mean_f_folded, label='mean')\n", - "plt.xlabel('number of discarded snapshots')\n", - "plt.ylabel('f_folded')\n", - "plt.legend()" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "The graph shows clearly that by discarding increasing amounts of the initial data, up to about 3000 snapshots, the values of `f_folded` calculated from the first and second halves of the remaining data become increasingly close to each other (the difference falls steadily towards zero). This suggests that we are trimming off more and more of the unrepresentative equilibration phase. After 3000 snapshots though the trend is - somewhat erratically - reversed, the difference begins to increase. This makes sense: as the number of snapshots in each sub-sample is decreased, random fluctuations make it less likely the two averages will be the same. \n", - "\n", - "Since it's never a good idea to discard any more data than you have to, let's settle on 3000 snaphots (representing the first 600 nanoseconds) as being the equilibration time and recalculate `f_folded` from what remains:" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "req = r[3000:]\n", - "f_folded = (req < 0.35).sum() / len(req)\n", - "print('f_folded = {}'.format(f_folded))" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Note this value is more than 10% higher than what was calculated using all the simulation data.\n", - "\n", - "## Conclusion:\n", - "\n", - "Two take-home messages could be:\n", - "\n", - "* Calculate equilibration on the basis of the actual metric you care about.\n", - "* Be holistic: evaluate equilibration and sampling/reproducibility at the same time.\n", - "\n", - "-----\n", - "\n", - "## Exercise 1 (easier):\n", - "\n", - "Imagine that we have a different metric of interest: the proportion of the time that the end-to-end distance of the peptide is less than 0.3 nanometers. A Python expression to calculate this would be:\n", - "\n", - " r = mdt.compute_distances(t, [[0, t.n_atoms -1]])\n", - " \n", - "Adapt the code above to estimate the equilibrium time and best estimate of this metric in this scenario.\n", - "\n", - "## Exercise 2 (harder):\n", - "\n", - "From the timeseries graph you will see that it could be more accurate to consider the dynamics of chignolin as involving transitions between three states, not two: a 'folded' one (rmsd < 0.35), an 'intermediate' one (0.35 < rmsd < 0.6) and an 'extended' one (rmsd > 0.6).\n", - "\n", - "Create a Python function that, given a series of rmsd values, will calculate the fractions of conformations in each of these three states `(f_folded, f_intermediate, f_extended)`, and a second Python function that, given a pair of distributions `(f_folded1, f_intermediate1, f_extended1)` and `(f_folded2, f_intermediate2, f_extended2)`, returns a similarity metric (zero if they are identical, more positive the more different they are). Then adapt the code above to estimate the equilibrium time and best estimates of these metrics in this scenario.\n", - "\n", - "*Charlie Laughton September 2020*" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3 (ipykernel)", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.13.4" - } - }, - "nbformat": 4, - "nbformat_minor": 4 -} diff --git a/2_EQUILIBRATION/LICENSE b/2_EQUILIBRATION/LICENSE deleted file mode 100644 index ed44838..0000000 --- a/2_EQUILIBRATION/LICENSE +++ /dev/null @@ -1,21 +0,0 @@ -MIT License - -Copyright (c) 2020 CCPBioSim - -Permission is hereby granted, free of charge, to any person obtaining a copy -of this software and associated documentation files (the "Software"), to deal -in the Software without restriction, including without limitation the rights -to use, copy, modify, merge, publish, distribute, sublicense, and/or sell -copies of the Software, and to permit persons to whom the Software is -furnished to do so, subject to the following conditions: - -The above copyright notice and this permission notice shall be included in all -copies or substantial portions of the Software. - -THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR -IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, -FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE -AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER -LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, -OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE -SOFTWARE. diff --git a/2_EQUILIBRATION/README.md b/2_EQUILIBRATION/README.md deleted file mode 100644 index 90b01ee..0000000 --- a/2_EQUILIBRATION/README.md +++ /dev/null @@ -1,14 +0,0 @@ -# equilibration-workshop - -We have a vision of MD simulations as consisting of an initial equilibration phase, during which system variables relax to "realistic" values, followed by the "production" phase from which valid estimates of features or behaviours of interest can be extracted. So how do we decide when an MD simulation is long enough that it is equilibrated, and data collection can begin? - -This workshop looks at one of the most common methods for assessing equilibration: the calculation of RMSDs. It may be a common approach, but is it a good one? Maybe not. - -## Requirements -A basic knowledge of Python and MD simulation methods - -## Training material -A Jupyter notebook and associated data files - -## Contact -Please direct all comments and queries to [Charlie Laughton](mailto:charles.laughton@nottingham.ac.uk) diff --git a/2_sampling_and_convergence.ipynb b/2_sampling_and_convergence.ipynb new file mode 100644 index 0000000..b289353 --- /dev/null +++ b/2_sampling_and_convergence.ipynb @@ -0,0 +1,299 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "id": "bd5b22fa-1e87-40dc-ab58-65e4d4f3f216", + "metadata": {}, + "source": [ + "# Assessing sampling and convergence in MD simulations\n", + "\n", + "\n", + "## Introduction\n", + "\n", + "Previous parts of this workshop have made it clear that concepts like \"equilibration\" and \"convergence\" in MD simulations are not always so simple in practice.\n", + "\n", + "In previous notebooks you will have frequently found yourself analysing data which it becomes clear is neither equilibrated or converged, so this notebook will deal with a new data set where - perhaps - that is closer to being the case.\n", + "\n", + "----------\n", + "\n", + "The data comes from a 4 microsecond simulation of chignolin: a small peptide that oscillates between a folded and unfolded state. The simulation comes from a tutorial created by Lillian Chong's group at the University of Pittsburgh for their advanced sampling software [WESTPA](https://westpa.github.io/westpa/) - please checkout this package, it's very useful and well documented!\n", + "\n", + "----\n", + "\n", + "Begin by loading the required Python packages: `numpy` for the maths, `mdtraj` for trajectory analysis, `matplotlib` for the graphs, and `nglview` for structure visualization:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "76d329f6-e8bf-4d38-abbb-4777dfb78dcd", + "metadata": {}, + "outputs": [], + "source": [ + "import numpy as np\n", + "import mdtraj as mdt\n", + "import nglview as nv\n", + "from matplotlib import pyplot as plt\n", + "%matplotlib inline" + ] + }, + { + "cell_type": "markdown", + "id": "f6b582ab-2aa4-4a9d-814d-0fb824aa0342", + "metadata": {}, + "source": [ + "## Part 1: Estimating equilibration from RMSD plots\n", + "\n", + "Let's begin by imagining that rather than having a 4 microsecond simulation of this system, we only had 300 nanoseconds - which maybe sounds like quite a lot anyway, doesn't it?\n", + "\n", + "Let's load that first chunk of data and do what everyone always does to start with - plot the RMSD from the starting structure:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "b487b01d-9a3c-4781-a5b9-926b6cc40e09", + "metadata": {}, + "outputs": [], + "source": [ + "t = mdt.load('data/chignolin.xtc', top='data/chignolin.pdb')[:1500]\n", + "r = mdt.rmsd(t, t[0])\n", + "plt.plot(t.time / 1000, r) # convert time from ps to ns\n", + "plt.xlabel('time (ns)')\n", + "plt.ylabel('rmsd (nanometers)')" + ] + }, + { + "cell_type": "markdown", + "id": "af1dd8b2-23ad-443a-b884-dbcff8d9e195", + "metadata": {}, + "source": [ + "It looks like there is some sort of equilibration after 700 picoseconds, the rmsd stabilizing around 0.4-0.5 nm. So it might be tempting to say something like \"the simulation has equilibrated after about 700 nanoseconds and the data from 700-1500 nanoseconds can be regarded as converged production-phase data that is valid for analysis. There is no need to run the simulation for any longer.\"\n", + "\n", + "OK - actually we have 4 microseconds of data - so let's see if this conclusion is valid:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "c96a083c-f4e0-444c-916e-fb0015bdbb7d", + "metadata": {}, + "outputs": [], + "source": [ + "t = mdt.load('data/chignolin.xtc', top='data/chignolin.pdb')\n", + "r = mdt.rmsd(t, t[0])\n", + "plt.plot(t.time / 1000, r)\n", + "plt.xlabel('time (ns)')\n", + "plt.ylabel('rmsd (nanometers)')" + ] + }, + { + "cell_type": "markdown", + "id": "cafbd5f4-95d2-461d-8e41-5bbacd0432f2", + "metadata": {}, + "source": [ + "It's very clear that our assumption was wrong. The idea that the RMSD is going to stablize to a more-or-less constant value representative of equilibrium is clearly not valid here. How do we attempt to assess \"equilibration\" and \"convergence\" in a situation like this?" + ] + }, + { + "cell_type": "markdown", + "id": "02bf20e8-6a96-495d-9315-5dca68d87cdc", + "metadata": {}, + "source": [ + "## Part 2: Insights from waymarking\n", + "\n", + "We have used **waymarking** in previous notebooks to look at how the trajectory - as a walk through shape space - samples different conformational states. Let's apply it here:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "e624049c-fea0-4dbd-aef3-48da8b92e63c", + "metadata": {}, + "outputs": [], + "source": [ + "def waymark(traj, dmax, atom_indices=None, max_waymarks=100):\n", + " '''\n", + " Waymark a trajectory\n", + "\n", + " Work through the snapshots in a trajectory from first to last, saving as \"waymarks\" each one encountered\n", + " that is > dmax nanometers RMSD from any previously waymarked snapshot.\n", + "\n", + " Also return a list of labels - the waymark each frame in the trajectory is closest to.\n", + " '''\n", + "\n", + " n_waymarks = 0\n", + " rmsds = np.ones((max_waymarks, traj.n_frames)) * 1000.0\n", + " current_waymark = 0\n", + " next_waymark = 1\n", + " while next_waymark > 0 and n_waymarks < max_waymarks:\n", + " if atom_indices is not None:\n", + " rmsd = mdt.rmsd(traj, traj[current_waymark], atom_indices=atom_indices)\n", + " else:\n", + " rmsd = mdt.rmsd(traj, traj[current_waymark])\n", + " rmsds[n_waymarks] = rmsd\n", + " next_waymark = (rmsds.min(axis=0) > dmax).argmax()\n", + " if next_waymark > 0:\n", + " current_waymark = next_waymark\n", + " n_waymarks += 1\n", + " \n", + " rmsdmin = rmsds.min(axis=0)\n", + " if np.any(rmsdmin > dmax):\n", + " print(f'Error - more than {max_waymarks} found.')\n", + " return None, None\n", + " else:\n", + " waymarks = []\n", + " labels = rmsds.argmin(axis=0)\n", + " label_order = []\n", + " for i, l in enumerate(labels):\n", + " if not l in label_order:\n", + " label_order.append(l)\n", + " waymarks.append(i)\n", + " labels = [label_order.index(l) for l in labels]\n", + " return waymarks, labels\n", + "\n", + "dmax = 0.5 # Found by a bit of trial and error...\n", + "waymarks, labels = waymark(t, dmax)\n", + "print(f'{len(waymarks)} waymarks found')" + ] + }, + { + "cell_type": "markdown", + "id": "f170572a-4a52-42e8-9c72-b41ed4f89d05", + "metadata": {}, + "source": [ + "Lets examine the snapshots at the waymarks, using `nglviewer` to make a pseudo-trajectory:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "68d10360-850b-4746-8b6d-06c4bcf84651", + "metadata": {}, + "outputs": [], + "source": [ + "view = nv.show_mdtraj(t[waymarks])\n", + "view.add_representation('licorice', 'all')\n", + "view" + ] + }, + { + "cell_type": "markdown", + "id": "0edfb28f-eecb-45c3-89cd-2440ad7f1fd2", + "metadata": {}, + "source": [ + "The first waymark is the native, folded state. You will see that the other waymarks correspond to fully or partially unfolded structures.\n", + "\n", + "As previously, let's see how the number of waymarks found increases with the length of the simulation, and how each is sampled over time:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "b726af93-a8ba-4dd2-8bb3-2185d0bd7dfe", + "metadata": {}, + "outputs": [], + "source": [ + "plt.figure(figsize=(10, 5))\n", + "plt.subplot(121)\n", + "nwm = [len(set(labels[:i+1])) for i in range(t.n_frames)]\n", + "plt.plot(t.time / 1000, nwm)\n", + "plt.xlabel('time (ns)')\n", + "plt.ylabel('number of waymarks')\n", + "plt.title('Exploration of shape space')\n", + "plt.subplot(122)\n", + "plt.plot(t.time / 1000, labels, '*')\n", + "plt.xlabel('time (ns)')\n", + "plt.ylabel('waymark labels')\n", + "plt.title('Waymark sampling')\n", + "plt.tight_layout()" + ] + }, + { + "cell_type": "markdown", + "id": "234570ee-9278-401c-ac4b-93bbac97d9a6", + "metadata": {}, + "source": [ + "The left-hand graph shows us that after about 700 nanoseconds, no new regions of shape space are sampled. This is our first piece of evidence that this simulation may indeed be long enough to be considered converged - but its not enough by itself: it suggests all important regions of shape space have been detected, but we don't know that the relative sampling of them has converged.\n", + "\n", + "The right-hand panel shows that all regions of sampled shape space are repeatedly revisited throughout the simulation, though not with equal frequency. There is no evidence for an irreversible relaxation process - when waymarks visited early on the simulation are never returned to. *All* the simulation data seems \"valid\".\n", + "\n", + "But is the simulation converged? To check this, we can examine how the relative occupancies of the different regions of shape space changes as the simulation is extended: " + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "314ab605-2045-4744-b494-4a216820b1b6", + "metadata": {}, + "outputs": [], + "source": [ + "n_waymarks = len(waymarks)\n", + "sample_size_increment = 1000\n", + "sample_sizes = np.arange(sample_size_increment, len(labels) + sample_size_increment, sample_size_increment)\n", + "occupancies = np.zeros((len(sample_sizes), n_waymarks))\n", + "# Loop over increasing proportions of the simulation:\n", + "for isample, sample_size in enumerate(sample_sizes):\n", + " sample = labels[:sample_size]\n", + " for iwaymark in range(n_waymarks):\n", + " occupancies[isample, iwaymark] = sample.count(iwaymark) / sample_size\n", + "\n", + "# Now plot the results:\n", + "for iwaymark in range(n_waymarks):\n", + " plt.plot(sample_sizes // 5, occupancies[:, iwaymark])\n", + " plt.xlabel('time (ns)')\n", + " plt.ylabel('waymark occupancy')" + ] + }, + { + "cell_type": "markdown", + "id": "210b6a66-c937-4d43-977c-4bff58043a24", + "metadata": {}, + "source": [ + "Each line on the graph is the relative occupancy of each of the waymarked regions as a function of the length of the simulation.\n", + "It shows that by about 3 microseconds, the relative occupancies of the different regions of shape space have more-or-less converged. The native folded state (blue) is occupied about 45% of the time, two distinct partially unfolded states are occupied about 25% and 15% of the time, and other minor conformational states make up the rest." + ] + }, + { + "cell_type": "markdown", + "id": "bd365d6d-dac0-4aa4-b160-0ec0c5553802", + "metadata": {}, + "source": [ + "## Summary\n", + "\n", + "It can take a long time for a molecular dynamics simulation to generate a good sample of equilibrated, converged, data from which hopefully valid information can be extracted, but it is possible! \n", + "\n", + "Looking at RMSD plots is seldom satisfactory, but it's not much more effort to use a method such as waymarking, (or for a bit more sophistication and rigour, clustering) which is much more reliable and insightful." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "544b296f-2d44-4fdc-a5ac-6f891eae3242", + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.14.7" + } + }, + "nbformat": 4, + "nbformat_minor": 5 +} diff --git a/3_basic_statistics.ipynb b/3_basic_statistics.ipynb new file mode 100644 index 0000000..b6947c0 --- /dev/null +++ b/3_basic_statistics.ipynb @@ -0,0 +1,340 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## CCP-BioSim Training Course:\n", + "### Basic statistical methods in MD data analysis\n", + "\n", + "When you are analysing MD trajectories frequently you are dealing with lots of data, and the data is noisy. Showing that measurements you make and conclusions you come to are statistically significant (or not!) is important.\n", + "\n", + "This notebook illustrates the application of some basic ststistical methods to the analysis of simulation data:\n", + "\n", + "1. Caculating means and confidence intervals.\n", + "2. Dealing with equilibration.\n", + "\n", + "The dataset here is taken from the 1.03 millisecond ANTON BPTI dataset from Shaw et al. (http://science.sciencemag.org/content/330/6002/341.full), and is the distance between the N- and C-terminal atoms. Here we look at just the first 10 microseconds of this simulation, sampled every ten nanoseconds.\n", + "\n", + "We begin by importing the key Python libraries: numpy and matplotlib:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "import numpy as np\n", + "from matplotlib import pyplot as plt\n", + "%matplotlib inline \n", + "plt.rcParams.update({'font.size': 15}) #This sets a better default label size for plots" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Next we load the distance data, and create a numpy array with the timepoint data which will be used later when we plot things:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "distances = np.load('data/end_to_end.npy')\n", + "n_samples = distances.size\n", + "times = np.arange(n_samples) * 0.01 # The time, in microseconds" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "So let's begin by looking at the raw data:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "plt.plot(times, distances)\n", + "plt.xlabel(r'time ($\\mu$sec)')\n", + "plt.ylabel('end-to-end distance (nm)')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "So what's the mean end-to-end distance? Here's a very simple approach - calculate the mean and - because we know a little bit about statistics - also the standard error of the mean, and from this the classic 95% confidence interval. \n", + "\n", + "For this we make use of numpy's `mean()` and `std()` (standard deviation) methods:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "# The following four lines create lists we will use to store values we calculate as we work through this notebook.\n", + "d_means = [None] * 4\n", + "d_c95lows = [None] * 4\n", + "d_c95highs = [None] * 4\n", + "methods = [None] * 4\n", + "\n", + "d_means[0] = distances.mean()\n", + "stderr = distances.std()/np.sqrt(n_samples)\n", + "d_c95lows[0] = d_means[0] - 1.96 * stderr # The lower bound of the 95% confidence interval\n", + "d_c95highs[0] = d_means[0] + 1.96 * stderr # The upper bound of the 95% confidence interval\n", + "\n", + "text = \"{}:\\nMean end to end distance: {:3.3f} nm, 95% confidence interval {:3.3f} nm to {:3.3f} nm\\n\"\n", + "methods[0] = \"Naive approach\"\n", + "for i in range(1):\n", + " print(text.format(methods[i], d_means[i], d_c95lows[i], d_c95highs[i]))" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "The above uses every value for the end-to-end distance. But is this valid? Only if the individual values are uncorrelated (see https://en.wikipedia.org/wiki/Unbiased_estimation_of_standard_deviation#Effect_of_autocorrelation_(serial_correlation)). Let's check for this.\n", + "\n", + "The cell below calculates the autocorrelation function for the distances, and plots its first ten values:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "d2 = distances - distances.mean()\n", + "c = np.correlate(d2, d2, 'full')\n", + "c = c[int(c.size/2):]\n", + "c /= (c.var() * np.arange(d2.size, 0, -1))\n", + "plt.xlabel('sample interval')\n", + "plt.ylabel('correlation')\n", + "plt.plot(c[:10])" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "The autocorellation function only reaches zero after a time lag of about 4 samples (equivalent to 40 nanoseconds), so we should subsample the distance data at this interval to get truely uncorrelated values from which to calculate statistics.\n", + "\n", + "This is what we do in the next cell, then recalculate the mean end-to-end distance:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "d_uncorr = distances[::4]\n", + "n_samples_uncorr = d_uncorr.size\n", + "time_uncorr = times[::4]\n", + "d_means[1] = d_uncorr.mean()\n", + "stderr = d_uncorr.std()/np.sqrt(n_samples_uncorr)\n", + "d_c95lows[1] = d_means[1] - stderr * 1.96\n", + "d_c95highs[1] = d_means[1] + stderr * 1.96\n", + "methods[1] = \"After checking for correlation\"\n", + "for i in range(2):\n", + " print(text.format(methods[i], d_means[i], d_c95lows[i], d_c95highs[i]))" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Note the new estimate of the mean end-to-end distance is considerably lower - below the 95% confidence limit in the original analysis.\n", + "\n", + "Up to now we have implicitly been working under the assumtion that the data come from a normal distribution - but is this likely? Not really, after all, the aim of MD is to generate a Boltzmann weighted ansemble, not a normal one. If our data is not normally distributed then exactly what a \"mean value\" means, and what the confidence limits on it are, will need to be reconsidered.\n", + "\n", + "In the cell below we plot a histogram of the distance values:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "H, edges = np.histogram(d_uncorr, bins='auto', density=True)\n", + "midpoints = [edges[i:i+2].mean() for i in range(len(edges) - 1)]\n", + "plt.xlabel('end-to-end distance')\n", + "plt.ylabel('probability density')\n", + "plt.plot(midpoints, H)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Yup -= not a normal distribution at all. In this situation it is better to use the method of bootstrapping https://en.wikipedia.org/wiki/Bootstrapping_(statistics) to estimate the confidence interval for the mean." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "b_means = []\n", + "for i in range(1000):\n", + " b_means.append(np.random.choice(d_uncorr, size=n_samples_uncorr).mean())\n", + "b_means.sort()\n", + "d_means[2] = d_means[1] # our estimate of the mean is unchanged from last time, only the confidence interval\n", + "d_c95lows[2] = b_means[50] # because only 50/1000 (5%) of the estimated means are less than this\n", + "d_c95highs[2] = b_means[950] # because only 50/1000 (5%) of the estimated means are more than this\n", + "methods[2] = \"With bootstrapping\"\n", + "for i in range(3):\n", + " print(text.format(methods[i], d_means[i], d_c95lows[i], d_c95highs[i]))" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Note that by taking proper account of the non-normal distribution in the end-to-end distance samples, the 95% confidence range tightens up quite a bit.\n", + "\n", + "OK, we have a mean and some confidence intervals. But is this a converged value? Is the simulation long enough? \n", + "\n", + "One simple approach is to say that it may be, if the mean end to end distance calculated from the first half of the simulation is close to the value calculated from the second half. Below we plot the difference between the means for the first and second halves of the simulation as a function of increasing total simulation length: i.e., comparing 0:100 with 100:200, then 0:200 with 200:400, etc. The expectation might be that as the sample sizes increase, the difference between the means will tend to zero:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "mean_length_difference = []\n", + "stepsize = int(len(d_uncorr)/100)\n", + "for i in range(stepsize, n_samples_uncorr + stepsize, stepsize):\n", + " j = i // 2\n", + " mean_length_difference.append(d_uncorr[:j].mean() - d_uncorr[j:i].mean())\n", + "\n", + "plt.xlabel('simulation length (microsec.)')\n", + "plt.ylabel('difference in block means')\n", + "plt.plot(time_uncorr[1::stepsize], mean_length_difference)\n", + "plt.plot(time_uncorr[1::stepsize], np.zeros(len(mean_length_difference))) # add a line at y=0" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Hmm - worryingly, the difference is tending to a positive number, what might be happening? One possibility os that we need to consider the process of equilibration. It might be that the early data from the simulation is unreliable (introduces a bias) because the system is still relaxing.\n", + "\n", + "To test this, use a similar approach to the one above, only this time trim increasing amounts off the start of the dataset and compare the means of the two halves of the remainig data:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "mean_length_difference = []\n", + "mean_sem = []\n", + "for i in range(stepsize, n_samples_uncorr, stepsize):\n", + " batch_size = (n_samples_uncorr - i) // 2\n", + " j = i + batch_size\n", + " mean_length_difference.append(d_uncorr[i:j].mean() - d_uncorr[j:].mean())\n", + " mean_sem.append((d_uncorr[i:j].std() + d_uncorr[j:].std()) /(2 * np.sqrt(batch_size)))\n", + "plt.figure(figsize=(12, 4))\n", + "plt.subplot(121)\n", + "plt.xlabel('discarded snapshots')\n", + "plt.ylabel('difference in block means')\n", + "plt.plot(mean_length_difference)\n", + "plt.plot(np.zeros(len(mean_length_difference))) # add a line at y=0\n", + "plt.subplot(122)\n", + "plt.xlabel('discarded snapshots')\n", + "plt.ylabel('average block sem')\n", + "plt.plot(mean_sem)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "The left-hand plot shows that as we discard some data from the beginning of the simulation, the difference between the means for the first and second halves of the remaining data decreases, if somewhat erratically. But as we discard more data, the number of remaining samples decreases, and so the standard error of the result increases (see the right hand plot) and so our confidence in the difference between the means decreases. \n", + "\n", + "We have make some kind of trade-off here. Let's go for removing the first 60 values:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "d_uncorr_trimmed = d_uncorr[60:]\n", + "d_means[3] = d_uncorr_trimmed.mean()\n", + "b_means = []\n", + "for i in range(1000):\n", + " b_means.append(np.random.choice(d_uncorr_trimmed, size=d_uncorr_trimmed.size).mean())\n", + "b_means.sort()\n", + "d_c95lows[3] = b_means[50]\n", + "d_c95highs[3] = b_means[950]\n", + "methods[3] = \"After removing equilibration phase\"\n", + "for i in range(4):\n", + " print(text.format(methods[i], d_means[i], d_c95lows[i], d_c95highs[i]))" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "The estimate of the mean value has dropped quite a bit, and with it the confidence interval.\n", + "\n", + "-----------------\n", + "### Summary\n", + "\n", + "MD generates lots of data, so there is every reason to take full advantage of it and put your data analysis on a sound footing. You can see how an increasingly careful analysis of the data has a significant effect on the metrics extracted from it. \n", + "\n", + "Three simple questions are always worth asking:\n", + "\n", + "1. Is there any evidence of equilibration artifacts?\n", + "2. Are my data values truely uncorrellated?\n", + "3. How is my data distributed - is it normal or not?" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.14.7" + } + }, + "nbformat": 4, + "nbformat_minor": 4 +} diff --git a/2_EQUILIBRATION/AUTHORS b/AUTHORS similarity index 100% rename from 2_EQUILIBRATION/AUTHORS rename to AUTHORS diff --git a/README.md b/README.md index e0b3cb6..95796e3 100644 --- a/README.md +++ b/README.md @@ -17,6 +17,14 @@ An introduction to the use of MDTraj for the analysis of simulations. The data c 2. EQUILIBRATION An introduction to a key issue in MD simulation: testing for equilibration, sampling, and convergence. The data here comes from a long simulation of a different protein, chignolin. +We have a vision of MD simulations as consisting of an initial equilibration phase, during which system variables relax to "realistic" values, followed by the "production" phase from which valid estimates of features or behaviours of interest can be extracted. So how do we decide when an MD simulation is long enough that it is equilibrated, and data collection can begin? + +This workshop looks at one of the most common methods for assessing equilibration: the calculation of RMSDs. It may be a common approach, but is it a good one? Maybe not. + +## Requirements +A basic knowledge of Python and MD simulation methods + + ## How to Use This training course is deployed on the [CCPBioSim](www.ccpbiosim.ac.uk) website via our cloud infrastructure, however you can deploy on your own machine with docker. diff --git a/data/abl_ligand.inpcrd b/data/abl_ligand.inpcrd new file mode 100644 index 0000000..c260cb2 --- /dev/null +++ b/data/abl_ligand.inpcrd @@ -0,0 +1,18767 @@ +default_name + 37528 + 19.5701487 26.5171368 44.0044994 19.1101487 26.8851368 43.1844994 + 19.1011487 26.8541368 44.8324994 19.5361487 25.5081368 43.9854994 + 20.9931487 26.9671368 44.0214994 21.3951487 26.8421368 43.0154994 + 21.0891487 28.4611368 44.3854994 20.6251487 28.6171368 45.3594994 + 22.1391487 28.7471368 44.4414994 20.4011487 29.3221368 43.3784994 + 19.1661487 29.8821368 43.4944994 18.5231487 29.7881368 44.3564994 + 18.8561487 30.5851368 42.3544994 18.0031487 31.1041368 42.2004994 + 19.8881487 30.4691368 41.4604994 20.0331487 30.9971368 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15.4484180 30.0184510 + 11.2167210 16.6225090 30.8334160 5.1811760 8.5934910 2.9883870 + 4.4053860 8.1135350 3.2782440 5.8324690 7.9140560 2.8140030 + 9.2019190 12.9995100 1.7683000 8.7400720 12.2282340 2.0970170 + 10.0144740 13.0261170 2.2735450 4.6220750 11.2692100 2.9954030 + 4.5529030 10.3282040 2.8343160 5.3840610 11.3593510 3.5676600 + 5.6525920 4.0762480 3.2222960 6.0290740 3.2034360 3.1096630 + 5.5545430 4.4121180 2.3313400 13.7249590 3.5879670 6.7194930 + 13.0201760 3.9761380 6.2010040 13.9907510 4.2829960 7.3215860 + 9.6711520 3.5113300 2.9278840 8.9667090 3.7998190 3.5081950 + 10.0323680 4.3213410 2.5678400 11.2874300 13.1288430 5.1906320 + 10.6037820 13.7987540 5.1822990 11.8268590 13.3269080 4.4251180 + 12.7398440 2.9568090 3.3188050 11.7923350 2.9907070 3.4503480 + 13.0648430 3.7707040 3.7037410 8.8233040 14.9732560 3.9051500 + 8.8360200 14.5694850 3.0373760 8.2708260 15.7479850 3.8012930 + 8.2218480 9.8762400 5.2334110 8.6387270 9.6622510 4.3987570 + 8.9458300 10.1335190 5.8042730 12.1680580 8.2749620 5.3250350 + 11.3399210 8.3442710 4.8500480 12.7631060 8.8603930 4.8566180 + 9.1322590 5.0618940 6.2705220 8.7193770 5.8872650 6.5245210 + 8.3998540 4.4763980 6.0781580 9.8222690 15.1078270 6.9586200 + 9.3453250 15.9150460 6.7658810 9.1384480 14.4556600 7.1112410 + 13.4021900 14.8690210 12.0277590 13.8781620 15.3473100 12.7066670 + 14.0229060 14.8007700 11.3023090 12.8055150 12.0603060 9.1877600 + 12.9318210 11.8214940 8.2694780 12.8476530 11.2287600 9.6599680 + 6.6671890 15.7631060 7.7572410 7.1816560 15.6739070 8.5594840 + 5.8240970 16.1090760 8.0500320 12.6579160 4.1135520 10.1527340 + 12.0423430 4.6215190 9.6242800 12.3375580 3.2133850 10.0953280 + 4.7193480 2.9527410 7.6189530 4.2572850 3.1610430 8.4309470 + 4.3171590 2.1386760 7.3160200 9.7197990 4.1736360 8.7486190 + 8.8691580 3.8742110 9.0695260 9.5599780 4.4178370 7.8370010 + 6.8147700 5.6738110 10.8484980 7.1401110 4.8401860 10.5087210 + 7.6028030 6.1966630 10.9963310 2.6637100 6.1078040 10.4095730 + 2.5680700 5.1672770 10.2596130 3.5069080 6.3293110 10.0143800 + 4.3692690 2.6026680 11.6326250 3.6791010 2.4098880 12.2672340 + 5.1124990 2.8861320 12.1650550 6.6455660 6.4425120 4.4680170 + 5.9136780 6.9511930 4.8170270 6.2480000 5.6255100 4.1668950 + 3.0833050 3.1179320 2.8732660 3.0869110 2.6769270 2.0237200 + 3.9784170 3.4396650 2.9804480 3.3841020 7.1781100 4.6198070 + 3.7511150 6.7039670 5.3659410 3.1946080 8.0522670 4.9606410 + 10.4610160 9.4216090 3.3275520 11.1809280 9.9171380 2.9371630 + 10.2591980 8.7433980 2.6829390 5.8428960 9.4925150 9.2144520 + 5.7766270 8.5720820 8.9602110 5.2134100 9.5900590 9.9289160 + 5.7745690 12.3145720 8.9648320 5.7890230 11.3826680 8.7467230 + 5.0670790 12.4005480 9.6038090 11.9856900 8.9553060 8.3116900 + 11.2605090 9.5481840 8.1146290 12.5132360 8.9476600 7.5130270 + 5.2079590 13.9563290 6.0588820 5.8521810 14.1622670 6.7362240 + 5.5709030 13.1951690 5.6059670 6.4811670 11.9595640 4.7766270 + 7.1233900 11.2588800 4.8898440 7.0061020 12.7394080 4.5963160 + 8.2549290 12.7590540 7.9802330 8.5905530 13.3457230 8.6580250 + 7.3349630 12.6283250 8.2100120 4.0837870 12.8081870 11.1490390 + 3.7634740 12.0891110 11.6936080 3.4096230 13.4836940 11.2226450 + 7.2991470 3.0408030 6.5127190 7.6672290 2.2203240 6.8406760 + 6.4389670 3.1009920 6.9282840 4.2593460 5.6947620 6.7365160 + 4.7578710 6.1693440 7.4017010 4.4016410 4.7711140 6.9435190 + 11.4660320 1.9115580 7.5793550 10.9633920 2.6520980 7.9187360 + 12.2816980 2.2999580 7.2630340 11.7607910 14.3257610 2.7009170 + 11.8855330 15.1488780 3.1732980 12.6273470 14.1148340 2.3533320 + 7.0748350 11.7114760 11.5087290 6.4686510 11.7346360 10.7683040 + 6.7702460 10.9797800 12.0454540 8.5048720 15.4395050 10.1196700 + 9.4570470 15.3553070 10.0696940 8.3576940 16.1036760 10.7930490 + 3.0119470 9.4979340 10.0383450 2.2465140 10.0664340 9.9538120 + 3.1935430 9.2055550 9.1451680 10.1542820 11.2284670 10.5958470 + 10.8952290 11.5660430 10.0925930 9.3915500 11.3976730 10.0428240 + 8.8288480 9.2799500 9.1313680 9.2429500 9.4344580 9.9804100 + 7.8939480 9.4054720 9.2939460 9.3010650 6.6195660 11.1352830 + 9.8831420 5.8647980 11.0473310 9.4772420 7.1503100 10.3584310 + 3.5903710 9.2319980 7.1009610 4.0091820 10.0752710 6.9285850 + 2.6712340 9.3692020 6.8716390 5.9267610 6.9636160 8.4847450 + 6.0463820 6.3677300 9.2242290 6.7861610 7.0005850 8.0648750 + 8.2655510 7.5173350 7.0609960 7.7390730 8.0415970 6.4575100 + 8.6086850 8.1500740 7.6919690 2.6936380 3.5057510 9.7423270 + 3.2836070 3.1973360 10.4301090 1.8756620 3.0337260 9.8983170 + 7.5129810 3.1223320 9.9756290 6.8245330 2.4604860 9.9106280 + 8.2335830 2.6761590 10.4204750 4.2973340 16.7724200 8.4753990 + 4.2232040 17.6759340 8.7826360 3.3952180 16.4536100 8.4476060 + 11.8253020 14.4686380 8.8046550 11.2255010 14.5278940 8.0610470 + 11.9546920 13.5291360 8.9343400 10.5104660 11.1938360 6.9022710 + 9.6964500 11.6235520 7.1648500 10.9178860 11.8056770 6.2891760 + 11.8595060 6.3326560 8.4291930 11.6281150 6.1039310 7.5289880 + 12.1199610 7.2526110 8.3836820 11.9236120 5.4952400 5.6179200 + 10.9738830 5.4615940 5.7324190 12.1049130 6.4052510 5.3828970 + 2.1749310 13.9334460 6.1791330 1.9340670 14.2009020 5.2921850 + 3.1151950 14.1040190 6.2342190 13.4353470 15.9528840 6.9801970 + 12.9411750 16.3497710 6.2629100 12.8266760 15.3278050 7.3739250 + 11.1192920 16.5952260 4.2588710 10.6595890 17.3468070 3.8846730 + 10.4905380 15.8758730 4.2003510 4.2884140 15.7948990 4.2605820 + 4.5761950 15.5403290 3.3838830 4.8007360 15.2426350 4.8511390 + 4.3556500 16.7165090 11.6274020 5.2823810 16.4809360 11.6709980 + 4.3406930 17.5437090 11.1460050 10.9234060 15.9434950 11.4515060 + 11.7159380 15.4484180 11.2441020 11.2167210 16.6225090 12.0590670 + 64.7369130 89.8652060 80.3998680 90.0000000 90.0000000 90.0000000 diff --git a/data/abl_ligand_dry.pdb b/data/abl_ligand_dry.pdb new file mode 100644 index 0000000..0a4e318 --- /dev/null +++ b/data/abl_ligand_dry.pdb @@ -0,0 +1,4453 @@ +REMARK 1 CREATED WITH MDTraj 1.11.0, 2026-05-28 +CRYST1 80.011 80.011 80.011 109.47 109.47 109.47 P 1 1 +ATOM 1 N ASP A 0 -8.088 20.050 -16.197 1.00 0.00 N +ATOM 2 H ASP A 0 -7.818 21.018 -16.096 1.00 0.00 H +ATOM 3 H2 ASP A 0 -8.068 19.660 -15.266 1.00 0.00 H +ATOM 4 H3 ASP A 0 -8.959 19.989 -16.706 1.00 0.00 H +ATOM 5 CA ASP A 0 -7.040 19.270 -16.911 1.00 0.00 C +ATOM 6 HA ASP A 0 -7.102 19.486 -17.977 1.00 0.00 H +ATOM 7 CB ASP A 0 -5.592 19.679 -16.518 1.00 0.00 C +ATOM 8 HB2 ASP A 0 -5.458 20.723 -16.800 1.00 0.00 H +ATOM 9 HB3 ASP A 0 -5.448 19.614 -15.439 1.00 0.00 H +ATOM 10 CG ASP A 0 -4.478 18.851 -17.247 1.00 0.00 C +ATOM 11 OD1 ASP A 0 -3.659 19.457 -17.996 1.00 0.00 O +ATOM 12 OD2 ASP A 0 -4.584 17.627 -17.099 1.00 0.00 O +ATOM 13 C ASP A 0 -7.364 17.756 -16.789 1.00 0.00 C +ATOM 14 O ASP A 0 -7.433 17.353 -15.623 1.00 0.00 O +ATOM 15 N LYS A 1 -7.450 17.041 -17.924 1.00 0.00 N +ATOM 16 H LYS A 1 -7.433 17.515 -18.815 1.00 0.00 H +ATOM 17 CA LYS A 1 -7.955 15.741 -18.026 1.00 0.00 C +ATOM 18 HA LYS A 1 -8.850 15.497 -17.453 1.00 0.00 H +ATOM 19 CB LYS A 1 -8.232 15.514 -19.546 1.00 0.00 C +ATOM 20 HB2 LYS A 1 -7.340 15.852 -20.074 1.00 0.00 H +ATOM 21 HB3 LYS A 1 -8.195 14.439 -19.724 1.00 0.00 H +ATOM 22 CG LYS A 1 -9.519 16.123 -20.145 1.00 0.00 C +ATOM 23 HG2 LYS A 1 -9.764 17.097 -19.720 1.00 0.00 H +ATOM 24 HG3 LYS A 1 -9.486 16.352 -21.210 1.00 0.00 H +ATOM 25 CD LYS A 1 -10.778 15.252 -19.760 1.00 0.00 C +ATOM 26 HD2 LYS A 1 -10.474 14.822 -18.805 1.00 0.00 H +ATOM 27 HD3 LYS A 1 -11.755 15.693 -19.562 1.00 0.00 H +ATOM 28 CE LYS A 1 -11.103 14.023 -20.618 1.00 0.00 C +ATOM 29 HE2 LYS A 1 -10.165 13.624 -21.004 1.00 0.00 H +ATOM 30 HE3 LYS A 1 -11.554 13.188 -20.083 1.00 0.00 H +ATOM 31 NZ LYS A 1 -11.870 14.306 -21.838 1.00 0.00 N +ATOM 32 HZ1 LYS A 1 -11.411 15.028 -22.375 1.00 0.00 H +ATOM 33 HZ2 LYS A 1 -11.894 13.483 -22.424 1.00 0.00 H +ATOM 34 HZ3 LYS A 1 -12.820 14.636 -21.747 1.00 0.00 H +ATOM 35 C LYS A 1 -6.919 14.644 -17.511 1.00 0.00 C +ATOM 36 O LYS A 1 -7.255 13.533 -17.120 1.00 0.00 O +ATOM 37 N TRP A 2 -5.627 14.936 -17.454 1.00 0.00 N +ATOM 38 H TRP A 2 -5.424 15.886 -17.731 1.00 0.00 H +ATOM 39 CA TRP A 2 -4.421 14.115 -17.036 1.00 0.00 C +ATOM 40 HA TRP A 2 -4.884 13.130 -16.962 1.00 0.00 H +ATOM 41 CB TRP A 2 -3.270 14.294 -18.069 1.00 0.00 C +ATOM 42 HB2 TRP A 2 -2.878 15.311 -18.099 1.00 0.00 H +ATOM 43 HB3 TRP A 2 -2.461 13.591 -17.868 1.00 0.00 H +ATOM 44 CG TRP A 2 -3.719 13.843 -19.499 1.00 0.00 C +ATOM 45 CD1 TRP A 2 -4.210 14.590 -20.511 1.00 0.00 C +ATOM 46 HD1 TRP A 2 -4.225 15.668 -20.435 1.00 0.00 H +ATOM 47 NE1 TRP A 2 -4.600 13.777 -21.503 1.00 0.00 N +ATOM 48 HE1 TRP A 2 -4.943 14.055 -22.412 1.00 0.00 H +ATOM 49 CE2 TRP A 2 -4.359 12.450 -21.229 1.00 0.00 C +ATOM 50 CZ2 TRP A 2 -4.439 11.256 -22.008 1.00 0.00 C +ATOM 51 HZ2 TRP A 2 -4.863 11.299 -23.001 1.00 0.00 H +ATOM 52 CH2 TRP A 2 -4.086 9.993 -21.480 1.00 0.00 C +ATOM 53 HH2 TRP A 2 -4.219 9.129 -22.115 1.00 0.00 H +ATOM 54 CZ3 TRP A 2 -3.494 10.035 -20.183 1.00 0.00 C +ATOM 55 HZ3 TRP A 2 -3.149 9.093 -19.783 1.00 0.00 H +ATOM 56 CE3 TRP A 2 -3.461 11.240 -19.366 1.00 0.00 C +ATOM 57 HE3 TRP A 2 -3.080 11.055 -18.373 1.00 0.00 H +ATOM 58 CD2 TRP A 2 -3.837 12.479 -19.908 1.00 0.00 C +ATOM 59 C TRP A 2 -3.900 14.303 -15.666 1.00 0.00 C +ATOM 60 O TRP A 2 -3.249 13.511 -15.015 1.00 0.00 O +ATOM 61 N GLU A 3 -3.934 15.577 -15.171 1.00 0.00 N +ATOM 62 H GLU A 3 -4.271 16.253 -15.842 1.00 0.00 H +ATOM 63 CA GLU A 3 -3.444 15.993 -13.831 1.00 0.00 C +ATOM 64 HA GLU A 3 -2.388 15.737 -13.751 1.00 0.00 H +ATOM 65 CB GLU A 3 -3.623 17.479 -13.580 1.00 0.00 C +ATOM 66 HB2 GLU A 3 -4.658 17.716 -13.824 1.00 0.00 H +ATOM 67 HB3 GLU A 3 -3.448 17.751 -12.539 1.00 0.00 H +ATOM 68 CG GLU A 3 -2.538 18.256 -14.325 1.00 0.00 C +ATOM 69 HG2 GLU A 3 -2.646 18.030 -15.386 1.00 0.00 H +ATOM 70 HG3 GLU A 3 -2.745 19.326 -14.289 1.00 0.00 H +ATOM 71 CD GLU A 3 -1.105 17.916 -13.910 1.00 0.00 C +ATOM 72 OE1 GLU A 3 -0.900 17.440 -12.804 1.00 0.00 O +ATOM 73 OE2 GLU A 3 -0.157 18.216 -14.683 1.00 0.00 O +ATOM 74 C GLU A 3 -4.117 15.197 -12.737 1.00 0.00 C +ATOM 75 O GLU A 3 -5.332 14.941 -12.930 1.00 0.00 O +ATOM 76 N MET A 4 -3.401 14.744 -11.744 1.00 0.00 N +ATOM 77 H MET A 4 -2.425 15.002 -11.772 1.00 0.00 H +ATOM 78 CA MET A 4 -3.786 13.842 -10.699 1.00 0.00 C +ATOM 79 HA MET A 4 -4.869 13.737 -10.638 1.00 0.00 H +ATOM 80 CB MET A 4 -3.219 12.435 -10.984 1.00 0.00 C +ATOM 81 HB2 MET A 4 -3.595 12.223 -11.984 1.00 0.00 H +ATOM 82 HB3 MET A 4 -2.131 12.492 -11.004 1.00 0.00 H +ATOM 83 CG MET A 4 -3.723 11.199 -10.224 1.00 0.00 C +ATOM 84 HG2 MET A 4 -3.658 11.455 -9.167 1.00 0.00 H +ATOM 85 HG3 MET A 4 -4.779 11.002 -10.408 1.00 0.00 H +ATOM 86 SD MET A 4 -2.631 9.749 -10.476 1.00 0.00 S +ATOM 87 CE MET A 4 -3.665 9.108 -11.853 1.00 0.00 C +ATOM 88 HE1 MET A 4 -3.446 9.598 -12.802 1.00 0.00 H +ATOM 89 HE2 MET A 4 -3.449 8.059 -12.056 1.00 0.00 H +ATOM 90 HE3 MET A 4 -4.736 9.246 -11.702 1.00 0.00 H +ATOM 91 C MET A 4 -3.382 14.444 -9.288 1.00 0.00 C +ATOM 92 O MET A 4 -2.380 15.118 -9.148 1.00 0.00 O +ATOM 93 N GLU A 5 -4.297 14.351 -8.266 1.00 0.00 N +ATOM 94 H GLU A 5 -5.212 14.006 -8.517 1.00 0.00 H +ATOM 95 CA GLU A 5 -3.879 14.515 -6.848 1.00 0.00 C +ATOM 96 HA GLU A 5 -3.408 15.497 -6.885 1.00 0.00 H +ATOM 97 CB GLU A 5 -5.034 14.430 -5.836 1.00 0.00 C +ATOM 98 HB2 GLU A 5 -5.549 13.471 -5.768 1.00 0.00 H +ATOM 99 HB3 GLU A 5 -4.647 14.471 -4.818 1.00 0.00 H +ATOM 100 CG GLU A 5 -6.246 15.377 -5.926 1.00 0.00 C +ATOM 101 HG2 GLU A 5 -6.737 14.954 -6.802 1.00 0.00 H +ATOM 102 HG3 GLU A 5 -6.801 15.316 -4.990 1.00 0.00 H +ATOM 103 CD GLU A 5 -5.779 16.764 -6.227 1.00 0.00 C +ATOM 104 OE1 GLU A 5 -5.902 17.248 -7.374 1.00 0.00 O +ATOM 105 OE2 GLU A 5 -5.294 17.426 -5.272 1.00 0.00 O +ATOM 106 C GLU A 5 -2.804 13.342 -6.539 1.00 0.00 C +ATOM 107 O GLU A 5 -3.128 12.162 -6.704 1.00 0.00 O +ATOM 108 N ARG A 6 -1.537 13.529 -6.055 1.00 0.00 N +ATOM 109 H ARG A 6 -1.242 14.491 -6.139 1.00 0.00 H +ATOM 110 CA ARG A 6 -0.538 12.541 -5.586 1.00 0.00 C +ATOM 111 HA ARG A 6 -0.279 11.775 -6.317 1.00 0.00 H +ATOM 112 CB ARG A 6 0.784 13.255 -5.214 1.00 0.00 C +ATOM 113 HB2 ARG A 6 1.550 12.539 -4.914 1.00 0.00 H +ATOM 114 HB3 ARG A 6 1.208 13.801 -6.056 1.00 0.00 H +ATOM 115 CG ARG A 6 0.736 14.279 -4.071 1.00 0.00 C +ATOM 116 HG2 ARG A 6 -0.050 15.005 -4.278 1.00 0.00 H +ATOM 117 HG3 ARG A 6 0.439 13.669 -3.218 1.00 0.00 H +ATOM 118 CD ARG A 6 2.071 14.944 -3.915 1.00 0.00 C +ATOM 119 HD2 ARG A 6 1.985 15.532 -3.001 1.00 0.00 H +ATOM 120 HD3 ARG A 6 2.943 14.292 -3.866 1.00 0.00 H +ATOM 121 NE ARG A 6 2.252 15.973 -4.924 1.00 0.00 N +ATOM 122 HE ARG A 6 1.782 16.866 -4.898 1.00 0.00 H +ATOM 123 CZ ARG A 6 3.255 16.036 -5.802 1.00 0.00 C +ATOM 124 NH1 ARG A 6 4.349 15.242 -5.684 1.00 0.00 N +ATOM 125 HH11 ARG A 6 4.454 14.577 -4.931 1.00 0.00 H +ATOM 126 HH12 ARG A 6 5.078 15.618 -6.273 1.00 0.00 H +ATOM 127 NH2 ARG A 6 3.308 16.863 -6.785 1.00 0.00 N +ATOM 128 HH21 ARG A 6 2.526 17.498 -6.864 1.00 0.00 H +ATOM 129 HH22 ARG A 6 4.129 16.935 -7.369 1.00 0.00 H +ATOM 130 C ARG A 6 -1.090 11.640 -4.505 1.00 0.00 C +ATOM 131 O ARG A 6 -0.650 10.515 -4.339 1.00 0.00 O +ATOM 132 N THR A 7 -2.088 12.100 -3.736 1.00 0.00 N +ATOM 133 H THR A 7 -2.405 13.058 -3.722 1.00 0.00 H +ATOM 134 CA THR A 7 -2.827 11.178 -2.895 1.00 0.00 C +ATOM 135 HA THR A 7 -2.147 10.696 -2.192 1.00 0.00 H +ATOM 136 CB THR A 7 -3.873 11.837 -1.990 1.00 0.00 C +ATOM 137 HB THR A 7 -4.551 12.364 -2.661 1.00 0.00 H +ATOM 138 CG2 THR A 7 -4.801 10.881 -1.252 1.00 0.00 C +ATOM 139 HG21 THR A 7 -5.566 11.434 -0.706 1.00 0.00 H +ATOM 140 HG22 THR A 7 -5.357 10.270 -1.963 1.00 0.00 H +ATOM 141 HG23 THR A 7 -4.298 10.203 -0.562 1.00 0.00 H +ATOM 142 OG1 THR A 7 -3.190 12.631 -1.059 1.00 0.00 O +ATOM 143 HG1 THR A 7 -3.349 13.548 -1.295 1.00 0.00 H +ATOM 144 C THR A 7 -3.411 10.026 -3.669 1.00 0.00 C +ATOM 145 O THR A 7 -3.450 8.921 -3.082 1.00 0.00 O +ATOM 146 N ASP A 8 -3.734 10.124 -4.910 1.00 0.00 N +ATOM 147 H ASP A 8 -3.498 11.004 -5.347 1.00 0.00 H +ATOM 148 CA ASP A 8 -4.419 9.095 -5.668 1.00 0.00 C +ATOM 149 HA ASP A 8 -5.244 8.845 -5.001 1.00 0.00 H +ATOM 150 CB ASP A 8 -5.026 9.636 -6.994 1.00 0.00 C +ATOM 151 HB2 ASP A 8 -4.255 10.036 -7.652 1.00 0.00 H +ATOM 152 HB3 ASP A 8 -5.435 8.840 -7.617 1.00 0.00 H +ATOM 153 CG ASP A 8 -6.105 10.615 -6.832 1.00 0.00 C +ATOM 154 OD1 ASP A 8 -6.629 10.898 -5.741 1.00 0.00 O +ATOM 155 OD2 ASP A 8 -6.680 11.129 -7.837 1.00 0.00 O +ATOM 156 C ASP A 8 -3.657 7.830 -5.900 1.00 0.00 C +ATOM 157 O ASP A 8 -4.247 6.805 -6.228 1.00 0.00 O +ATOM 158 N ILE A 9 -2.361 7.827 -5.583 1.00 0.00 N +ATOM 159 H ILE A 9 -2.020 8.698 -5.200 1.00 0.00 H +ATOM 160 CA ILE A 9 -1.508 6.635 -5.579 1.00 0.00 C +ATOM 161 HA ILE A 9 -2.073 5.766 -5.916 1.00 0.00 H +ATOM 162 CB ILE A 9 -0.357 6.711 -6.606 1.00 0.00 C +ATOM 163 HB ILE A 9 0.508 7.199 -6.157 1.00 0.00 H +ATOM 164 CG2 ILE A 9 0.134 5.255 -6.957 1.00 0.00 C +ATOM 165 HG21 ILE A 9 0.632 4.736 -6.137 1.00 0.00 H +ATOM 166 HG22 ILE A 9 -0.623 4.645 -7.448 1.00 0.00 H +ATOM 167 HG23 ILE A 9 0.950 5.313 -7.676 1.00 0.00 H +ATOM 168 CG1 ILE A 9 -0.786 7.452 -7.954 1.00 0.00 C +ATOM 169 HG12 ILE A 9 -0.123 7.166 -8.771 1.00 0.00 H +ATOM 170 HG13 ILE A 9 -1.747 7.088 -8.319 1.00 0.00 H +ATOM 171 CD1 ILE A 9 -0.692 8.958 -7.883 1.00 0.00 C +ATOM 172 HD11 ILE A 9 -1.655 9.340 -7.544 1.00 0.00 H +ATOM 173 HD12 ILE A 9 0.127 9.237 -7.220 1.00 0.00 H +ATOM 174 HD13 ILE A 9 -0.505 9.232 -8.922 1.00 0.00 H +ATOM 175 C ILE A 9 -0.894 6.302 -4.228 1.00 0.00 C +ATOM 176 O ILE A 9 -0.268 7.153 -3.537 1.00 0.00 O +ATOM 177 N THR A 10 -1.134 5.022 -3.787 1.00 0.00 N +ATOM 178 H THR A 10 -1.806 4.405 -4.220 1.00 0.00 H +ATOM 179 CA THR A 10 -0.342 4.462 -2.709 1.00 0.00 C +ATOM 180 HA THR A 10 -0.179 5.271 -1.997 1.00 0.00 H +ATOM 181 CB THR A 10 -1.200 3.476 -1.915 1.00 0.00 C +ATOM 182 HB THR A 10 -1.272 2.540 -2.469 1.00 0.00 H +ATOM 183 CG2 THR A 10 -0.594 3.290 -0.534 1.00 0.00 C +ATOM 184 HG21 THR A 10 0.387 2.822 -0.610 1.00 0.00 H +ATOM 185 HG22 THR A 10 -0.647 4.191 0.078 1.00 0.00 H +ATOM 186 HG23 THR A 10 -0.992 2.445 0.027 1.00 0.00 H +ATOM 187 OG1 THR A 10 -2.475 3.865 -1.758 1.00 0.00 O +ATOM 188 HG1 THR A 10 -2.516 4.308 -0.908 1.00 0.00 H +ATOM 189 C THR A 10 0.930 3.861 -3.190 1.00 0.00 C +ATOM 190 O THR A 10 0.896 3.026 -4.100 1.00 0.00 O +ATOM 191 N MET A 11 2.094 4.329 -2.750 1.00 0.00 N +ATOM 192 H MET A 11 1.973 5.145 -2.167 1.00 0.00 H +ATOM 193 CA MET A 11 3.423 3.914 -3.249 1.00 0.00 C +ATOM 194 HA MET A 11 3.361 3.610 -4.294 1.00 0.00 H +ATOM 195 CB MET A 11 4.366 5.129 -3.101 1.00 0.00 C +ATOM 196 HB2 MET A 11 4.460 5.413 -2.053 1.00 0.00 H +ATOM 197 HB3 MET A 11 5.356 4.833 -3.448 1.00 0.00 H +ATOM 198 CG MET A 11 3.977 6.303 -3.976 1.00 0.00 C +ATOM 199 HG2 MET A 11 2.911 6.452 -3.804 1.00 0.00 H +ATOM 200 HG3 MET A 11 4.552 7.189 -3.708 1.00 0.00 H +ATOM 201 SD MET A 11 4.159 5.983 -5.740 1.00 0.00 S +ATOM 202 CE MET A 11 5.648 6.998 -5.934 1.00 0.00 C +ATOM 203 HE1 MET A 11 6.422 6.658 -5.246 1.00 0.00 H +ATOM 204 HE2 MET A 11 6.038 7.019 -6.952 1.00 0.00 H +ATOM 205 HE3 MET A 11 5.329 8.007 -5.673 1.00 0.00 H +ATOM 206 C MET A 11 4.028 2.727 -2.544 1.00 0.00 C +ATOM 207 O MET A 11 4.351 2.830 -1.353 1.00 0.00 O +ATOM 208 N LYS A 12 4.094 1.607 -3.265 1.00 0.00 N +ATOM 209 H LYS A 12 3.890 1.793 -4.236 1.00 0.00 H +ATOM 210 CA LYS A 12 4.330 0.233 -2.771 1.00 0.00 C +ATOM 211 HA LYS A 12 4.028 0.165 -1.726 1.00 0.00 H +ATOM 212 CB LYS A 12 3.530 -0.580 -3.727 1.00 0.00 C +ATOM 213 HB2 LYS A 12 2.590 -0.072 -3.946 1.00 0.00 H +ATOM 214 HB3 LYS A 12 4.129 -0.701 -4.629 1.00 0.00 H +ATOM 215 CG LYS A 12 3.194 -1.971 -3.086 1.00 0.00 C +ATOM 216 HG2 LYS A 12 4.112 -2.512 -2.853 1.00 0.00 H +ATOM 217 HG3 LYS A 12 2.601 -1.877 -2.177 1.00 0.00 H +ATOM 218 CD LYS A 12 2.285 -2.858 -3.940 1.00 0.00 C +ATOM 219 HD2 LYS A 12 1.293 -2.786 -3.495 1.00 0.00 H +ATOM 220 HD3 LYS A 12 2.288 -2.432 -4.943 1.00 0.00 H +ATOM 221 CE LYS A 12 2.584 -4.379 -4.024 1.00 0.00 C +ATOM 222 HE2 LYS A 12 3.631 -4.600 -4.231 1.00 0.00 H +ATOM 223 HE3 LYS A 12 2.464 -4.785 -3.020 1.00 0.00 H +ATOM 224 NZ LYS A 12 1.662 -5.054 -4.970 1.00 0.00 N +ATOM 225 HZ1 LYS A 12 1.611 -6.063 -4.989 1.00 0.00 H +ATOM 226 HZ2 LYS A 12 0.717 -5.068 -4.614 1.00 0.00 H +ATOM 227 HZ3 LYS A 12 1.689 -4.686 -5.910 1.00 0.00 H +ATOM 228 C LYS A 12 5.797 -0.242 -2.551 1.00 0.00 C +ATOM 229 O LYS A 12 6.101 -0.976 -1.618 1.00 0.00 O +ATOM 230 N HIS A 13 6.696 0.256 -3.358 1.00 0.00 N +ATOM 231 H HIS A 13 6.399 0.874 -4.100 1.00 0.00 H +ATOM 232 CA HIS A 13 8.025 -0.150 -3.414 1.00 0.00 C +ATOM 233 HA HIS A 13 8.567 0.472 -2.701 1.00 0.00 H +ATOM 234 CB HIS A 13 8.415 -1.606 -3.153 1.00 0.00 C +ATOM 235 HB2 HIS A 13 9.391 -1.864 -3.564 1.00 0.00 H +ATOM 236 HB3 HIS A 13 8.489 -1.786 -2.081 1.00 0.00 H +ATOM 237 CG HIS A 13 7.482 -2.584 -3.803 1.00 0.00 C +ATOM 238 ND1 HIS A 13 6.952 -3.709 -3.175 1.00 0.00 N +ATOM 239 CE1 HIS A 13 6.296 -4.409 -4.076 1.00 0.00 C +ATOM 240 HE1 HIS A 13 5.745 -5.327 -3.935 1.00 0.00 H +ATOM 241 NE2 HIS A 13 6.498 -3.926 -5.264 1.00 0.00 N +ATOM 242 HE2 HIS A 13 6.043 -4.230 -6.114 1.00 0.00 H +ATOM 243 CD2 HIS A 13 7.320 -2.773 -5.075 1.00 0.00 C +ATOM 244 HD2 HIS A 13 7.690 -2.080 -5.816 1.00 0.00 H +ATOM 245 C HIS A 13 8.692 0.383 -4.681 1.00 0.00 C +ATOM 246 O HIS A 13 8.041 0.491 -5.712 1.00 0.00 O +ATOM 247 N LYS A 14 10.029 0.514 -4.632 1.00 0.00 N +ATOM 248 H LYS A 14 10.449 0.233 -3.757 1.00 0.00 H +ATOM 249 CA LYS A 14 10.840 0.971 -5.741 1.00 0.00 C +ATOM 250 HA LYS A 14 10.234 1.674 -6.312 1.00 0.00 H +ATOM 251 CB LYS A 14 12.115 1.679 -5.256 1.00 0.00 C +ATOM 252 HB2 LYS A 14 11.903 2.331 -4.409 1.00 0.00 H +ATOM 253 HB3 LYS A 14 12.828 0.941 -4.888 1.00 0.00 H +ATOM 254 CG LYS A 14 12.690 2.422 -6.471 1.00 0.00 C +ATOM 255 HG2 LYS A 14 13.006 1.756 -7.274 1.00 0.00 H +ATOM 256 HG3 LYS A 14 11.977 3.187 -6.779 1.00 0.00 H +ATOM 257 CD LYS A 14 14.049 3.144 -6.243 1.00 0.00 C +ATOM 258 HD2 LYS A 14 14.807 2.428 -5.923 1.00 0.00 H +ATOM 259 HD3 LYS A 14 14.466 3.636 -7.122 1.00 0.00 H +ATOM 260 CE LYS A 14 13.925 4.221 -5.184 1.00 0.00 C +ATOM 261 HE2 LYS A 14 13.049 4.850 -5.345 1.00 0.00 H +ATOM 262 HE3 LYS A 14 13.818 3.744 -4.210 1.00 0.00 H +ATOM 263 NZ LYS A 14 15.153 5.068 -5.014 1.00 0.00 N +ATOM 264 HZ1 LYS A 14 15.326 5.782 -5.708 1.00 0.00 H +ATOM 265 HZ2 LYS A 14 15.034 5.681 -4.220 1.00 0.00 H +ATOM 266 HZ3 LYS A 14 16.031 4.589 -4.873 1.00 0.00 H +ATOM 267 C LYS A 14 10.953 -0.244 -6.624 1.00 0.00 C +ATOM 268 O LYS A 14 11.258 -1.399 -6.153 1.00 0.00 O +ATOM 269 N LEU A 15 10.811 -0.095 -7.934 1.00 0.00 N +ATOM 270 H LEU A 15 10.563 0.834 -8.244 1.00 0.00 H +ATOM 271 CA LEU A 15 10.987 -1.176 -8.919 1.00 0.00 C +ATOM 272 HA LEU A 15 10.386 -2.014 -8.565 1.00 0.00 H +ATOM 273 CB LEU A 15 10.470 -0.866 -10.378 1.00 0.00 C +ATOM 274 HB2 LEU A 15 11.089 -0.057 -10.765 1.00 0.00 H +ATOM 275 HB3 LEU A 15 10.749 -1.765 -10.927 1.00 0.00 H +ATOM 276 CG LEU A 15 9.015 -0.252 -10.459 1.00 0.00 C +ATOM 277 HG LEU A 15 8.999 0.725 -9.975 1.00 0.00 H +ATOM 278 CD1 LEU A 15 8.642 -0.269 -11.937 1.00 0.00 C +ATOM 279 HD11 LEU A 15 7.651 0.186 -11.965 1.00 0.00 H +ATOM 280 HD12 LEU A 15 9.382 0.189 -12.594 1.00 0.00 H +ATOM 281 HD13 LEU A 15 8.593 -1.323 -12.209 1.00 0.00 H +ATOM 282 CD2 LEU A 15 8.050 -1.249 -9.772 1.00 0.00 C +ATOM 283 HD21 LEU A 15 7.041 -0.880 -9.960 1.00 0.00 H +ATOM 284 HD22 LEU A 15 8.091 -2.327 -9.927 1.00 0.00 H +ATOM 285 HD23 LEU A 15 8.263 -1.305 -8.704 1.00 0.00 H +ATOM 286 C LEU A 15 12.412 -1.682 -9.081 1.00 0.00 C +ATOM 287 O LEU A 15 13.344 -0.952 -9.524 1.00 0.00 O +ATOM 288 N GLY A 16 12.625 -2.887 -8.644 1.00 0.00 N +ATOM 289 H GLY A 16 11.811 -3.340 -8.253 1.00 0.00 H +ATOM 290 CA GLY A 16 13.909 -3.588 -8.477 1.00 0.00 C +ATOM 291 HA2 GLY A 16 13.643 -4.584 -8.123 1.00 0.00 H +ATOM 292 HA3 GLY A 16 14.344 -3.601 -9.476 1.00 0.00 H +ATOM 293 C GLY A 16 14.817 -2.812 -7.513 1.00 0.00 C +ATOM 294 O GLY A 16 15.981 -2.778 -7.850 1.00 0.00 O +ATOM 295 N GLY A 17 14.351 -2.135 -6.444 1.00 0.00 N +ATOM 296 H GLY A 17 13.358 -2.137 -6.258 1.00 0.00 H +ATOM 297 CA GLY A 17 15.188 -1.194 -5.611 1.00 0.00 C +ATOM 298 HA2 GLY A 17 14.713 -0.814 -4.706 1.00 0.00 H +ATOM 299 HA3 GLY A 17 16.037 -1.798 -5.291 1.00 0.00 H +ATOM 300 C GLY A 17 15.867 -0.034 -6.362 1.00 0.00 C +ATOM 301 O GLY A 17 16.797 0.574 -5.790 1.00 0.00 O +ATOM 302 N GLY A 18 15.391 0.391 -7.526 1.00 0.00 N +ATOM 303 H GLY A 18 14.645 -0.178 -7.899 1.00 0.00 H +ATOM 304 CA GLY A 18 16.173 1.329 -8.336 1.00 0.00 C +ATOM 305 HA2 GLY A 18 15.611 2.261 -8.409 1.00 0.00 H +ATOM 306 HA3 GLY A 18 17.116 1.644 -7.888 1.00 0.00 H +ATOM 307 C GLY A 18 16.497 0.845 -9.727 1.00 0.00 C +ATOM 308 O GLY A 18 17.329 1.459 -10.409 1.00 0.00 O +ATOM 309 N GLN A 19 15.995 -0.265 -10.203 1.00 0.00 N +ATOM 310 H GLN A 19 15.239 -0.639 -9.647 1.00 0.00 H +ATOM 311 CA GLN A 19 16.357 -0.823 -11.548 1.00 0.00 C +ATOM 312 HA GLN A 19 17.427 -1.017 -11.630 1.00 0.00 H +ATOM 313 CB GLN A 19 15.649 -2.158 -11.757 1.00 0.00 C +ATOM 314 HB2 GLN A 19 15.636 -2.660 -10.789 1.00 0.00 H +ATOM 315 HB3 GLN A 19 14.601 -1.953 -11.977 1.00 0.00 H +ATOM 316 CG GLN A 19 16.234 -3.134 -12.849 1.00 0.00 C +ATOM 317 HG2 GLN A 19 16.197 -2.599 -13.797 1.00 0.00 H +ATOM 318 HG3 GLN A 19 17.272 -3.342 -12.586 1.00 0.00 H +ATOM 319 CD GLN A 19 15.450 -4.425 -12.984 1.00 0.00 C +ATOM 320 OE1 GLN A 19 14.406 -4.736 -12.381 1.00 0.00 O +ATOM 321 NE2 GLN A 19 15.935 -5.227 -13.886 1.00 0.00 N +ATOM 322 HE21 GLN A 19 15.351 -5.996 -14.182 1.00 0.00 H +ATOM 323 HE22 GLN A 19 16.590 -4.883 -14.573 1.00 0.00 H +ATOM 324 C GLN A 19 16.040 0.127 -12.635 1.00 0.00 C +ATOM 325 O GLN A 19 16.729 0.083 -13.632 1.00 0.00 O +ATOM 326 N TYR A 20 15.095 1.088 -12.540 1.00 0.00 N +ATOM 327 H TYR A 20 14.713 1.310 -11.631 1.00 0.00 H +ATOM 328 CA TYR A 20 14.863 2.124 -13.621 1.00 0.00 C +ATOM 329 HA TYR A 20 15.578 1.993 -14.433 1.00 0.00 H +ATOM 330 CB TYR A 20 13.389 1.921 -14.228 1.00 0.00 C +ATOM 331 HB2 TYR A 20 12.717 2.320 -13.468 1.00 0.00 H +ATOM 332 HB3 TYR A 20 13.337 2.469 -15.168 1.00 0.00 H +ATOM 333 CG TYR A 20 13.035 0.493 -14.555 1.00 0.00 C +ATOM 334 CD1 TYR A 20 12.045 -0.207 -13.740 1.00 0.00 C +ATOM 335 HD1 TYR A 20 11.525 0.387 -13.003 1.00 0.00 H +ATOM 336 CE1 TYR A 20 11.735 -1.561 -13.889 1.00 0.00 C +ATOM 337 HE1 TYR A 20 11.025 -2.044 -13.234 1.00 0.00 H +ATOM 338 CZ TYR A 20 12.480 -2.323 -14.825 1.00 0.00 C +ATOM 339 OH TYR A 20 12.133 -3.629 -15.014 1.00 0.00 O +ATOM 340 HH TYR A 20 11.335 -3.784 -14.504 1.00 0.00 H +ATOM 341 CE2 TYR A 20 13.349 -1.629 -15.711 1.00 0.00 C +ATOM 342 HE2 TYR A 20 13.847 -2.231 -16.457 1.00 0.00 H +ATOM 343 CD2 TYR A 20 13.629 -0.205 -15.576 1.00 0.00 C +ATOM 344 HD2 TYR A 20 14.254 0.256 -16.326 1.00 0.00 H +ATOM 345 C TYR A 20 15.048 3.530 -13.187 1.00 0.00 C +ATOM 346 O TYR A 20 14.763 4.430 -14.022 1.00 0.00 O +ATOM 347 N GLY A 21 15.541 3.785 -11.985 1.00 0.00 N +ATOM 348 H GLY A 21 16.077 3.047 -11.550 1.00 0.00 H +ATOM 349 CA GLY A 21 15.668 5.143 -11.344 1.00 0.00 C +ATOM 350 HA2 GLY A 21 16.705 5.327 -11.061 1.00 0.00 H +ATOM 351 HA3 GLY A 21 15.292 5.931 -11.997 1.00 0.00 H +ATOM 352 C GLY A 21 14.728 5.329 -10.154 1.00 0.00 C +ATOM 353 O GLY A 21 14.439 4.448 -9.348 1.00 0.00 O +ATOM 354 N GLU A 22 14.401 6.556 -9.945 1.00 0.00 N +ATOM 355 H GLU A 22 14.739 7.273 -10.571 1.00 0.00 H +ATOM 356 CA GLU A 22 13.282 6.842 -9.036 1.00 0.00 C +ATOM 357 HA GLU A 22 13.426 6.272 -8.118 1.00 0.00 H +ATOM 358 CB GLU A 22 13.234 8.332 -8.580 1.00 0.00 C +ATOM 359 HB2 GLU A 22 12.835 8.962 -9.376 1.00 0.00 H +ATOM 360 HB3 GLU A 22 12.416 8.433 -7.867 1.00 0.00 H +ATOM 361 CG GLU A 22 14.417 9.011 -7.986 1.00 0.00 C +ATOM 362 HG2 GLU A 22 15.074 9.299 -8.807 1.00 0.00 H +ATOM 363 HG3 GLU A 22 14.045 9.927 -7.528 1.00 0.00 H +ATOM 364 CD GLU A 22 15.217 8.200 -6.973 1.00 0.00 C +ATOM 365 OE1 GLU A 22 14.606 7.391 -6.240 1.00 0.00 O +ATOM 366 OE2 GLU A 22 16.420 8.457 -6.813 1.00 0.00 O +ATOM 367 C GLU A 22 11.941 6.398 -9.617 1.00 0.00 C +ATOM 368 O GLU A 22 11.226 7.113 -10.332 1.00 0.00 O +ATOM 369 N VAL A 23 11.649 5.071 -9.555 1.00 0.00 N +ATOM 370 H VAL A 23 12.323 4.406 -9.203 1.00 0.00 H +ATOM 371 CA VAL A 23 10.442 4.480 -10.152 1.00 0.00 C +ATOM 372 HA VAL A 23 9.688 5.252 -10.307 1.00 0.00 H +ATOM 373 CB VAL A 23 10.707 3.913 -11.582 1.00 0.00 C +ATOM 374 HB VAL A 23 11.185 2.941 -11.463 1.00 0.00 H +ATOM 375 CG1 VAL A 23 9.393 3.712 -12.355 1.00 0.00 C +ATOM 376 HG11 VAL A 23 9.660 3.537 -13.398 1.00 0.00 H +ATOM 377 HG12 VAL A 23 8.939 2.792 -11.989 1.00 0.00 H +ATOM 378 HG13 VAL A 23 8.714 4.563 -12.404 1.00 0.00 H +ATOM 379 CG2 VAL A 23 11.536 4.877 -12.408 1.00 0.00 C +ATOM 380 HG21 VAL A 23 12.600 4.950 -12.181 1.00 0.00 H +ATOM 381 HG22 VAL A 23 11.461 4.563 -13.449 1.00 0.00 H +ATOM 382 HG23 VAL A 23 11.134 5.891 -12.413 1.00 0.00 H +ATOM 383 C VAL A 23 9.838 3.334 -9.374 1.00 0.00 C +ATOM 384 O VAL A 23 10.570 2.442 -8.979 1.00 0.00 O +ATOM 385 N TYR A 24 8.495 3.377 -9.167 1.00 0.00 N +ATOM 386 H TYR A 24 8.090 4.196 -9.598 1.00 0.00 H +ATOM 387 CA TYR A 24 7.751 2.703 -8.122 1.00 0.00 C +ATOM 388 HA TYR A 24 8.339 2.048 -7.478 1.00 0.00 H +ATOM 389 CB TYR A 24 7.171 3.753 -7.158 1.00 0.00 C +ATOM 390 HB2 TYR A 24 6.735 4.542 -7.770 1.00 0.00 H +ATOM 391 HB3 TYR A 24 6.468 3.298 -6.460 1.00 0.00 H +ATOM 392 CG TYR A 24 8.272 4.416 -6.400 1.00 0.00 C +ATOM 393 CD1 TYR A 24 9.129 5.422 -6.917 1.00 0.00 C +ATOM 394 HD1 TYR A 24 8.908 5.833 -7.891 1.00 0.00 H +ATOM 395 CE1 TYR A 24 10.173 6.059 -6.132 1.00 0.00 C +ATOM 396 HE1 TYR A 24 10.727 6.851 -6.614 1.00 0.00 H +ATOM 397 CZ TYR A 24 10.388 5.550 -4.869 1.00 0.00 C +ATOM 398 OH TYR A 24 11.395 6.075 -4.179 1.00 0.00 O +ATOM 399 HH TYR A 24 11.202 5.946 -3.248 1.00 0.00 H +ATOM 400 CE2 TYR A 24 9.639 4.457 -4.336 1.00 0.00 C +ATOM 401 HE2 TYR A 24 9.799 4.127 -3.320 1.00 0.00 H +ATOM 402 CD2 TYR A 24 8.575 3.880 -5.127 1.00 0.00 C +ATOM 403 HD2 TYR A 24 7.943 3.096 -4.736 1.00 0.00 H +ATOM 404 C TYR A 24 6.595 1.825 -8.607 1.00 0.00 C +ATOM 405 O TYR A 24 5.930 2.227 -9.539 1.00 0.00 O +ATOM 406 N GLU A 25 6.407 0.726 -7.878 1.00 0.00 N +ATOM 407 H GLU A 25 7.003 0.606 -7.072 1.00 0.00 H +ATOM 408 CA GLU A 25 5.118 0.002 -8.045 1.00 0.00 C +ATOM 409 HA GLU A 25 4.881 0.114 -9.103 1.00 0.00 H +ATOM 410 CB GLU A 25 5.112 -1.480 -7.561 1.00 0.00 C +ATOM 411 HB2 GLU A 25 5.947 -1.975 -8.055 1.00 0.00 H +ATOM 412 HB3 GLU A 25 5.344 -1.457 -6.496 1.00 0.00 H +ATOM 413 CG GLU A 25 3.856 -2.315 -7.969 1.00 0.00 C +ATOM 414 HG2 GLU A 25 2.970 -1.991 -7.422 1.00 0.00 H +ATOM 415 HG3 GLU A 25 3.924 -2.246 -9.054 1.00 0.00 H +ATOM 416 CD GLU A 25 3.879 -3.816 -7.690 1.00 0.00 C +ATOM 417 OE1 GLU A 25 2.823 -4.429 -7.415 1.00 0.00 O +ATOM 418 OE2 GLU A 25 5.024 -4.353 -7.608 1.00 0.00 O +ATOM 419 C GLU A 25 4.139 0.785 -7.144 1.00 0.00 C +ATOM 420 O GLU A 25 4.444 1.292 -6.059 1.00 0.00 O +ATOM 421 N GLY A 26 2.902 1.020 -7.571 1.00 0.00 N +ATOM 422 H GLY A 26 2.719 0.779 -8.534 1.00 0.00 H +ATOM 423 CA GLY A 26 1.837 1.747 -6.751 1.00 0.00 C +ATOM 424 HA2 GLY A 26 1.976 1.690 -5.671 1.00 0.00 H +ATOM 425 HA3 GLY A 26 1.832 2.799 -7.036 1.00 0.00 H +ATOM 426 C GLY A 26 0.453 1.220 -7.105 1.00 0.00 C +ATOM 427 O GLY A 26 0.247 0.395 -7.980 1.00 0.00 O +ATOM 428 N VAL A 27 -0.586 1.736 -6.359 1.00 0.00 N +ATOM 429 H VAL A 27 -0.327 2.385 -5.630 1.00 0.00 H +ATOM 430 CA VAL A 27 -2.016 1.415 -6.398 1.00 0.00 C +ATOM 431 HA VAL A 27 -2.265 0.943 -7.349 1.00 0.00 H +ATOM 432 CB VAL A 27 -2.449 0.599 -5.242 1.00 0.00 C +ATOM 433 HB VAL A 27 -2.340 1.158 -4.313 1.00 0.00 H +ATOM 434 CG1 VAL A 27 -3.932 0.269 -5.480 1.00 0.00 C +ATOM 435 HG11 VAL A 27 -4.536 1.143 -5.725 1.00 0.00 H +ATOM 436 HG12 VAL A 27 -4.076 -0.403 -6.326 1.00 0.00 H +ATOM 437 HG13 VAL A 27 -4.257 -0.315 -4.619 1.00 0.00 H +ATOM 438 CG2 VAL A 27 -1.522 -0.564 -5.046 1.00 0.00 C +ATOM 439 HG21 VAL A 27 -1.387 -1.230 -5.898 1.00 0.00 H +ATOM 440 HG22 VAL A 27 -0.511 -0.277 -4.758 1.00 0.00 H +ATOM 441 HG23 VAL A 27 -1.842 -1.175 -4.202 1.00 0.00 H +ATOM 442 C VAL A 27 -2.906 2.676 -6.529 1.00 0.00 C +ATOM 443 O VAL A 27 -3.080 3.457 -5.624 1.00 0.00 O +ATOM 444 N TRP A 28 -3.395 2.969 -7.768 1.00 0.00 N +ATOM 445 H TRP A 28 -3.154 2.263 -8.449 1.00 0.00 H +ATOM 446 CA TRP A 28 -4.294 4.060 -8.109 1.00 0.00 C +ATOM 447 HA TRP A 28 -3.977 5.014 -7.688 1.00 0.00 H +ATOM 448 CB TRP A 28 -4.189 4.265 -9.602 1.00 0.00 C +ATOM 449 HB2 TRP A 28 -3.182 4.641 -9.786 1.00 0.00 H +ATOM 450 HB3 TRP A 28 -4.213 3.426 -10.297 1.00 0.00 H +ATOM 451 CG TRP A 28 -5.185 5.314 -10.136 1.00 0.00 C +ATOM 452 CD1 TRP A 28 -5.522 6.535 -9.508 1.00 0.00 C +ATOM 453 HD1 TRP A 28 -5.310 6.695 -8.462 1.00 0.00 H +ATOM 454 NE1 TRP A 28 -6.104 7.364 -10.450 1.00 0.00 N +ATOM 455 HE1 TRP A 28 -6.359 8.302 -10.176 1.00 0.00 H +ATOM 456 CE2 TRP A 28 -6.128 6.767 -11.679 1.00 0.00 C +ATOM 457 CZ2 TRP A 28 -6.475 7.223 -12.939 1.00 0.00 C +ATOM 458 HZ2 TRP A 28 -6.793 8.251 -13.038 1.00 0.00 H +ATOM 459 CH2 TRP A 28 -6.528 6.358 -14.027 1.00 0.00 C +ATOM 460 HH2 TRP A 28 -6.778 6.684 -15.025 1.00 0.00 H +ATOM 461 CZ3 TRP A 28 -6.064 5.054 -13.909 1.00 0.00 C +ATOM 462 HZ3 TRP A 28 -5.962 4.387 -14.753 1.00 0.00 H +ATOM 463 CE3 TRP A 28 -5.610 4.623 -12.671 1.00 0.00 C +ATOM 464 HE3 TRP A 28 -5.072 3.688 -12.617 1.00 0.00 H +ATOM 465 CD2 TRP A 28 -5.638 5.479 -11.542 1.00 0.00 C +ATOM 466 C TRP A 28 -5.682 3.749 -7.526 1.00 0.00 C +ATOM 467 O TRP A 28 -6.478 3.136 -8.184 1.00 0.00 O +ATOM 468 N LYS A 29 -5.913 4.259 -6.289 1.00 0.00 N +ATOM 469 H LYS A 29 -5.249 4.940 -5.950 1.00 0.00 H +ATOM 470 CA LYS A 29 -7.153 4.032 -5.505 1.00 0.00 C +ATOM 471 HA LYS A 29 -7.183 2.981 -5.216 1.00 0.00 H +ATOM 472 CB LYS A 29 -6.993 4.788 -4.246 1.00 0.00 C +ATOM 473 HB2 LYS A 29 -6.566 5.772 -4.440 1.00 0.00 H +ATOM 474 HB3 LYS A 29 -7.959 5.051 -3.814 1.00 0.00 H +ATOM 475 CG LYS A 29 -6.200 3.988 -3.187 1.00 0.00 C +ATOM 476 HG2 LYS A 29 -6.908 3.330 -2.682 1.00 0.00 H +ATOM 477 HG3 LYS A 29 -5.409 3.456 -3.715 1.00 0.00 H +ATOM 478 CD LYS A 29 -5.583 4.991 -2.149 1.00 0.00 C +ATOM 479 HD2 LYS A 29 -6.437 5.571 -1.800 1.00 0.00 H +ATOM 480 HD3 LYS A 29 -5.078 4.362 -1.415 1.00 0.00 H +ATOM 481 CE LYS A 29 -4.644 5.993 -2.806 1.00 0.00 C +ATOM 482 HE2 LYS A 29 -3.767 5.461 -3.175 1.00 0.00 H +ATOM 483 HE3 LYS A 29 -5.063 6.609 -3.601 1.00 0.00 H +ATOM 484 NZ LYS A 29 -4.159 6.875 -1.703 1.00 0.00 N +ATOM 485 HZ1 LYS A 29 -3.839 6.325 -0.919 1.00 0.00 H +ATOM 486 HZ2 LYS A 29 -3.513 7.552 -2.083 1.00 0.00 H +ATOM 487 HZ3 LYS A 29 -4.852 7.487 -1.297 1.00 0.00 H +ATOM 488 C LYS A 29 -8.438 4.282 -6.290 1.00 0.00 C +ATOM 489 O LYS A 29 -9.453 3.710 -5.830 1.00 0.00 O +ATOM 490 N LYS A 30 -8.594 5.194 -7.261 1.00 0.00 N +ATOM 491 H LYS A 30 -7.809 5.813 -7.403 1.00 0.00 H +ATOM 492 CA LYS A 30 -9.790 5.451 -8.095 1.00 0.00 C +ATOM 493 HA LYS A 30 -10.486 5.820 -7.341 1.00 0.00 H +ATOM 494 CB LYS A 30 -9.416 6.500 -9.148 1.00 0.00 C +ATOM 495 HB2 LYS A 30 -8.956 7.386 -8.710 1.00 0.00 H +ATOM 496 HB3 LYS A 30 -8.626 6.172 -9.824 1.00 0.00 H +ATOM 497 CG LYS A 30 -10.605 6.926 -9.934 1.00 0.00 C +ATOM 498 HG2 LYS A 30 -10.751 6.099 -10.629 1.00 0.00 H +ATOM 499 HG3 LYS A 30 -11.488 7.085 -9.316 1.00 0.00 H +ATOM 500 CD LYS A 30 -10.298 8.271 -10.620 1.00 0.00 C +ATOM 501 HD2 LYS A 30 -10.172 8.951 -9.778 1.00 0.00 H +ATOM 502 HD3 LYS A 30 -9.447 8.103 -11.280 1.00 0.00 H +ATOM 503 CE LYS A 30 -11.469 8.653 -11.530 1.00 0.00 C +ATOM 504 HE2 LYS A 30 -11.231 9.549 -12.104 1.00 0.00 H +ATOM 505 HE3 LYS A 30 -11.645 7.959 -12.352 1.00 0.00 H +ATOM 506 NZ LYS A 30 -12.774 8.743 -10.878 1.00 0.00 N +ATOM 507 HZ1 LYS A 30 -13.583 8.719 -11.482 1.00 0.00 H +ATOM 508 HZ2 LYS A 30 -13.020 8.074 -10.162 1.00 0.00 H +ATOM 509 HZ3 LYS A 30 -12.679 9.604 -10.360 1.00 0.00 H +ATOM 510 C LYS A 30 -10.452 4.190 -8.740 1.00 0.00 C +ATOM 511 O LYS A 30 -11.644 3.972 -8.616 1.00 0.00 O +ATOM 512 N TYR A 31 -9.612 3.404 -9.413 1.00 0.00 N +ATOM 513 H TYR A 31 -8.622 3.596 -9.352 1.00 0.00 H +ATOM 514 CA TYR A 31 -9.950 2.120 -10.095 1.00 0.00 C +ATOM 515 HA TYR A 31 -11.016 1.899 -10.038 1.00 0.00 H +ATOM 516 CB TYR A 31 -9.648 2.282 -11.600 1.00 0.00 C +ATOM 517 HB2 TYR A 31 -8.577 2.459 -11.699 1.00 0.00 H +ATOM 518 HB3 TYR A 31 -10.004 1.424 -12.170 1.00 0.00 H +ATOM 519 CG TYR A 31 -10.235 3.528 -12.363 1.00 0.00 C +ATOM 520 CD1 TYR A 31 -9.408 4.550 -12.692 1.00 0.00 C +ATOM 521 HD1 TYR A 31 -8.400 4.618 -12.309 1.00 0.00 H +ATOM 522 CE1 TYR A 31 -9.822 5.658 -13.460 1.00 0.00 C +ATOM 523 HE1 TYR A 31 -9.074 6.412 -13.658 1.00 0.00 H +ATOM 524 CZ TYR A 31 -11.183 5.827 -13.814 1.00 0.00 C +ATOM 525 OH TYR A 31 -11.555 6.781 -14.743 1.00 0.00 O +ATOM 526 HH TYR A 31 -10.780 7.073 -15.227 1.00 0.00 H +ATOM 527 CE2 TYR A 31 -12.051 4.753 -13.432 1.00 0.00 C +ATOM 528 HE2 TYR A 31 -13.080 4.741 -13.759 1.00 0.00 H +ATOM 529 CD2 TYR A 31 -11.595 3.615 -12.712 1.00 0.00 C +ATOM 530 HD2 TYR A 31 -12.338 2.907 -12.375 1.00 0.00 H +ATOM 531 C TYR A 31 -9.296 0.872 -9.473 1.00 0.00 C +ATOM 532 O TYR A 31 -9.438 -0.215 -10.036 1.00 0.00 O +ATOM 533 N SER A 32 -8.608 1.028 -8.336 1.00 0.00 N +ATOM 534 H SER A 32 -8.646 1.973 -7.981 1.00 0.00 H +ATOM 535 CA SER A 32 -7.818 -0.031 -7.554 1.00 0.00 C +ATOM 536 HA SER A 32 -7.203 0.480 -6.813 1.00 0.00 H +ATOM 537 CB SER A 32 -8.813 -1.022 -6.857 1.00 0.00 C +ATOM 538 HB2 SER A 32 -9.334 -1.710 -7.523 1.00 0.00 H +ATOM 539 HB3 SER A 32 -8.290 -1.657 -6.141 1.00 0.00 H +ATOM 540 OG SER A 32 -9.696 -0.265 -6.115 1.00 0.00 O +ATOM 541 HG SER A 32 -9.916 -0.659 -5.268 1.00 0.00 H +ATOM 542 C SER A 32 -6.763 -0.741 -8.425 1.00 0.00 C +ATOM 543 O SER A 32 -6.545 -1.932 -8.179 1.00 0.00 O +ATOM 544 N LEU A 33 -6.126 -0.014 -9.310 1.00 0.00 N +ATOM 545 H LEU A 33 -6.401 0.958 -9.286 1.00 0.00 H +ATOM 546 CA LEU A 33 -5.198 -0.525 -10.323 1.00 0.00 C +ATOM 547 HA LEU A 33 -5.238 -1.594 -10.529 1.00 0.00 H +ATOM 548 CB LEU A 33 -5.409 0.182 -11.704 1.00 0.00 C +ATOM 549 HB2 LEU A 33 -5.604 1.240 -11.529 1.00 0.00 H +ATOM 550 HB3 LEU A 33 -4.503 0.042 -12.295 1.00 0.00 H +ATOM 551 CG LEU A 33 -6.600 -0.465 -12.546 1.00 0.00 C +ATOM 552 HG LEU A 33 -7.492 -0.543 -11.924 1.00 0.00 H +ATOM 553 CD1 LEU A 33 -6.890 0.433 -13.727 1.00 0.00 C +ATOM 554 HD11 LEU A 33 -7.837 0.141 -14.181 1.00 0.00 H +ATOM 555 HD12 LEU A 33 -6.944 1.466 -13.381 1.00 0.00 H +ATOM 556 HD13 LEU A 33 -6.006 0.475 -14.363 1.00 0.00 H +ATOM 557 CD2 LEU A 33 -6.294 -1.904 -12.949 1.00 0.00 C +ATOM 558 HD21 LEU A 33 -5.688 -1.787 -13.847 1.00 0.00 H +ATOM 559 HD22 LEU A 33 -5.705 -2.492 -12.246 1.00 0.00 H +ATOM 560 HD23 LEU A 33 -7.185 -2.481 -13.197 1.00 0.00 H +ATOM 561 C LEU A 33 -3.727 -0.275 -9.894 1.00 0.00 C +ATOM 562 O LEU A 33 -3.298 0.813 -9.588 1.00 0.00 O +ATOM 563 N THR A 34 -2.951 -1.325 -10.110 1.00 0.00 N +ATOM 564 H THR A 34 -3.409 -2.138 -10.495 1.00 0.00 H +ATOM 565 CA THR A 34 -1.539 -1.273 -10.056 1.00 0.00 C +ATOM 566 HA THR A 34 -1.327 -0.884 -9.060 1.00 0.00 H +ATOM 567 CB THR A 34 -0.850 -2.702 -10.140 1.00 0.00 C +ATOM 568 HB THR A 34 -0.848 -3.252 -11.081 1.00 0.00 H +ATOM 569 CG2 THR A 34 0.569 -2.715 -9.507 1.00 0.00 C +ATOM 570 HG21 THR A 34 0.534 -2.569 -8.427 1.00 0.00 H +ATOM 571 HG22 THR A 34 0.973 -3.711 -9.688 1.00 0.00 H +ATOM 572 HG23 THR A 34 1.217 -1.947 -9.930 1.00 0.00 H +ATOM 573 OG1 THR A 34 -1.659 -3.624 -9.421 1.00 0.00 O +ATOM 574 HG1 THR A 34 -2.520 -3.524 -9.835 1.00 0.00 H +ATOM 575 C THR A 34 -1.043 -0.360 -11.166 1.00 0.00 C +ATOM 576 O THR A 34 -1.531 -0.435 -12.302 1.00 0.00 O +ATOM 577 N VAL A 35 0.003 0.388 -10.911 1.00 0.00 N +ATOM 578 H VAL A 35 0.247 0.515 -9.939 1.00 0.00 H +ATOM 579 CA VAL A 35 0.630 1.305 -11.821 1.00 0.00 C +ATOM 580 HA VAL A 35 0.263 1.148 -12.836 1.00 0.00 H +ATOM 581 CB VAL A 35 0.198 2.718 -11.542 1.00 0.00 C +ATOM 582 HB VAL A 35 0.862 3.461 -11.983 1.00 0.00 H +ATOM 583 CG1 VAL A 35 -1.160 2.988 -12.133 1.00 0.00 C +ATOM 584 HG11 VAL A 35 -1.792 2.279 -11.598 1.00 0.00 H +ATOM 585 HG12 VAL A 35 -1.449 4.038 -12.074 1.00 0.00 H +ATOM 586 HG13 VAL A 35 -1.219 2.656 -13.169 1.00 0.00 H +ATOM 587 CG2 VAL A 35 0.036 3.136 -10.041 1.00 0.00 C +ATOM 588 HG21 VAL A 35 -0.403 4.134 -10.008 1.00 0.00 H +ATOM 589 HG22 VAL A 35 -0.590 2.453 -9.467 1.00 0.00 H +ATOM 590 HG23 VAL A 35 1.007 3.115 -9.546 1.00 0.00 H +ATOM 591 C VAL A 35 2.170 1.308 -11.679 1.00 0.00 C +ATOM 592 O VAL A 35 2.687 1.002 -10.591 1.00 0.00 O +ATOM 593 N ALA A 36 2.892 1.770 -12.676 1.00 0.00 N +ATOM 594 H ALA A 36 2.448 1.989 -13.556 1.00 0.00 H +ATOM 595 CA ALA A 36 4.339 2.181 -12.578 1.00 0.00 C +ATOM 596 HA ALA A 36 4.718 1.761 -11.647 1.00 0.00 H +ATOM 597 CB ALA A 36 5.030 1.599 -13.830 1.00 0.00 C +ATOM 598 HB1 ALA A 36 4.508 2.032 -14.684 1.00 0.00 H +ATOM 599 HB2 ALA A 36 6.042 1.991 -13.729 1.00 0.00 H +ATOM 600 HB3 ALA A 36 4.914 0.515 -13.816 1.00 0.00 H +ATOM 601 C ALA A 36 4.534 3.710 -12.521 1.00 0.00 C +ATOM 602 O ALA A 36 4.366 4.449 -13.521 1.00 0.00 O +ATOM 603 N VAL A 37 4.826 4.274 -11.341 1.00 0.00 N +ATOM 604 H VAL A 37 5.019 3.650 -10.571 1.00 0.00 H +ATOM 605 CA VAL A 37 4.965 5.744 -11.041 1.00 0.00 C +ATOM 606 HA VAL A 37 4.386 6.336 -11.748 1.00 0.00 H +ATOM 607 CB VAL A 37 4.334 6.172 -9.734 1.00 0.00 C +ATOM 608 HB VAL A 37 4.984 5.718 -8.986 1.00 0.00 H +ATOM 609 CG1 VAL A 37 4.434 7.641 -9.352 1.00 0.00 C +ATOM 610 HG11 VAL A 37 4.195 7.845 -8.309 1.00 0.00 H +ATOM 611 HG12 VAL A 37 5.458 7.998 -9.459 1.00 0.00 H +ATOM 612 HG13 VAL A 37 3.872 8.322 -9.992 1.00 0.00 H +ATOM 613 CG2 VAL A 37 2.958 5.587 -9.584 1.00 0.00 C +ATOM 614 HG21 VAL A 37 2.461 6.159 -8.800 1.00 0.00 H +ATOM 615 HG22 VAL A 37 2.503 5.763 -10.559 1.00 0.00 H +ATOM 616 HG23 VAL A 37 3.039 4.550 -9.259 1.00 0.00 H +ATOM 617 C VAL A 37 6.446 6.181 -11.144 1.00 0.00 C +ATOM 618 O VAL A 37 7.255 6.045 -10.176 1.00 0.00 O +ATOM 619 N LYS A 38 6.794 6.790 -12.292 1.00 0.00 N +ATOM 620 H LYS A 38 5.996 7.105 -12.825 1.00 0.00 H +ATOM 621 CA LYS A 38 8.062 7.559 -12.457 1.00 0.00 C +ATOM 622 HA LYS A 38 8.959 6.996 -12.201 1.00 0.00 H +ATOM 623 CB LYS A 38 8.337 7.754 -13.961 1.00 0.00 C +ATOM 624 HB2 LYS A 38 8.228 6.811 -14.498 1.00 0.00 H +ATOM 625 HB3 LYS A 38 7.723 8.561 -14.361 1.00 0.00 H +ATOM 626 CG LYS A 38 9.791 8.303 -14.286 1.00 0.00 C +ATOM 627 HG2 LYS A 38 9.863 9.230 -13.718 1.00 0.00 H +ATOM 628 HG3 LYS A 38 10.509 7.542 -13.982 1.00 0.00 H +ATOM 629 CD LYS A 38 9.985 8.621 -15.751 1.00 0.00 C +ATOM 630 HD2 LYS A 38 9.839 7.731 -16.363 1.00 0.00 H +ATOM 631 HD3 LYS A 38 9.240 9.401 -15.906 1.00 0.00 H +ATOM 632 CE LYS A 38 11.432 9.179 -16.063 1.00 0.00 C +ATOM 633 HE2 LYS A 38 11.549 10.218 -15.755 1.00 0.00 H +ATOM 634 HE3 LYS A 38 12.145 8.511 -15.580 1.00 0.00 H +ATOM 635 NZ LYS A 38 11.608 9.086 -17.555 1.00 0.00 N +ATOM 636 HZ1 LYS A 38 12.417 9.575 -17.909 1.00 0.00 H +ATOM 637 HZ2 LYS A 38 11.816 8.153 -17.881 1.00 0.00 H +ATOM 638 HZ3 LYS A 38 10.809 9.479 -18.033 1.00 0.00 H +ATOM 639 C LYS A 38 8.000 8.854 -11.595 1.00 0.00 C +ATOM 640 O LYS A 38 7.034 9.663 -11.660 1.00 0.00 O +ATOM 641 N THR A 39 9.090 9.155 -10.899 1.00 0.00 N +ATOM 642 H THR A 39 9.896 8.547 -10.929 1.00 0.00 H +ATOM 643 CA THR A 39 9.212 10.277 -9.882 1.00 0.00 C +ATOM 644 HA THR A 39 8.315 10.873 -10.052 1.00 0.00 H +ATOM 645 CB THR A 39 9.308 9.687 -8.441 1.00 0.00 C +ATOM 646 HB THR A 39 10.143 8.996 -8.325 1.00 0.00 H +ATOM 647 CG2 THR A 39 9.574 10.728 -7.391 1.00 0.00 C +ATOM 648 HG21 THR A 39 10.634 10.968 -7.470 1.00 0.00 H +ATOM 649 HG22 THR A 39 8.956 11.619 -7.504 1.00 0.00 H +ATOM 650 HG23 THR A 39 9.525 10.342 -6.373 1.00 0.00 H +ATOM 651 OG1 THR A 39 8.055 9.156 -8.191 1.00 0.00 O +ATOM 652 HG1 THR A 39 7.769 8.812 -9.040 1.00 0.00 H +ATOM 653 C THR A 39 10.334 11.201 -10.246 1.00 0.00 C +ATOM 654 O THR A 39 11.490 10.679 -10.482 1.00 0.00 O +ATOM 655 N LEU A 40 10.106 12.484 -10.419 1.00 0.00 N +ATOM 656 H LEU A 40 9.150 12.806 -10.366 1.00 0.00 H +ATOM 657 CA LEU A 40 11.149 13.518 -10.544 1.00 0.00 C +ATOM 658 HA LEU A 40 11.745 13.242 -11.414 1.00 0.00 H +ATOM 659 CB LEU A 40 10.428 14.817 -10.799 1.00 0.00 C +ATOM 660 HB2 LEU A 40 9.928 14.769 -11.767 1.00 0.00 H +ATOM 661 HB3 LEU A 40 9.724 15.005 -9.988 1.00 0.00 H +ATOM 662 CG LEU A 40 11.290 16.129 -10.833 1.00 0.00 C +ATOM 663 HG LEU A 40 11.994 16.174 -10.002 1.00 0.00 H +ATOM 664 CD1 LEU A 40 11.947 16.176 -12.193 1.00 0.00 C +ATOM 665 HD11 LEU A 40 12.735 16.910 -12.029 1.00 0.00 H +ATOM 666 HD12 LEU A 40 12.536 15.264 -12.298 1.00 0.00 H +ATOM 667 HD13 LEU A 40 11.277 16.296 -13.044 1.00 0.00 H +ATOM 668 CD2 LEU A 40 10.392 17.314 -10.821 1.00 0.00 C +ATOM 669 HD21 LEU A 40 9.699 17.278 -11.661 1.00 0.00 H +ATOM 670 HD22 LEU A 40 9.805 17.248 -9.905 1.00 0.00 H +ATOM 671 HD23 LEU A 40 11.025 18.202 -10.843 1.00 0.00 H +ATOM 672 C LEU A 40 12.119 13.498 -9.338 1.00 0.00 C +ATOM 673 O LEU A 40 11.617 13.649 -8.232 1.00 0.00 O +ATOM 674 N LYS A 41 13.420 13.373 -9.536 1.00 0.00 N +ATOM 675 H LYS A 41 13.779 13.255 -10.473 1.00 0.00 H +ATOM 676 CA LYS A 41 14.424 13.709 -8.569 1.00 0.00 C +ATOM 677 HA LYS A 41 13.911 13.594 -7.615 1.00 0.00 H +ATOM 678 CB LYS A 41 15.549 12.684 -8.705 1.00 0.00 C +ATOM 679 HB2 LYS A 41 16.208 12.621 -7.839 1.00 0.00 H +ATOM 680 HB3 LYS A 41 15.223 11.648 -8.796 1.00 0.00 H +ATOM 681 CG LYS A 41 16.542 12.876 -9.791 1.00 0.00 C +ATOM 682 HG2 LYS A 41 16.077 12.941 -10.775 1.00 0.00 H +ATOM 683 HG3 LYS A 41 17.144 13.757 -9.568 1.00 0.00 H +ATOM 684 CD LYS A 41 17.678 11.706 -9.766 1.00 0.00 C +ATOM 685 HD2 LYS A 41 18.296 11.859 -8.881 1.00 0.00 H +ATOM 686 HD3 LYS A 41 17.142 10.757 -9.779 1.00 0.00 H +ATOM 687 CE LYS A 41 18.671 11.718 -10.865 1.00 0.00 C +ATOM 688 HE2 LYS A 41 19.611 11.233 -10.601 1.00 0.00 H +ATOM 689 HE3 LYS A 41 18.417 11.024 -11.666 1.00 0.00 H +ATOM 690 NZ LYS A 41 18.963 13.078 -11.437 1.00 0.00 N +ATOM 691 HZ1 LYS A 41 19.650 12.888 -12.152 1.00 0.00 H +ATOM 692 HZ2 LYS A 41 18.128 13.578 -11.707 1.00 0.00 H +ATOM 693 HZ3 LYS A 41 19.386 13.634 -10.708 1.00 0.00 H +ATOM 694 C LYS A 41 14.789 15.147 -8.675 1.00 0.00 C +ATOM 695 O LYS A 41 14.935 15.623 -9.790 1.00 0.00 O +ATOM 696 N GLU A 42 14.976 15.882 -7.590 1.00 0.00 N +ATOM 697 H GLU A 42 14.931 15.384 -6.712 1.00 0.00 H +ATOM 698 CA GLU A 42 15.431 17.256 -7.483 1.00 0.00 C +ATOM 699 HA GLU A 42 15.232 17.846 -8.378 1.00 0.00 H +ATOM 700 CB GLU A 42 14.603 18.000 -6.410 1.00 0.00 C +ATOM 701 HB2 GLU A 42 14.919 17.678 -5.418 1.00 0.00 H +ATOM 702 HB3 GLU A 42 14.900 19.047 -6.468 1.00 0.00 H +ATOM 703 CG GLU A 42 13.047 17.936 -6.573 1.00 0.00 C +ATOM 704 HG2 GLU A 42 12.701 18.040 -7.601 1.00 0.00 H +ATOM 705 HG3 GLU A 42 12.634 16.988 -6.228 1.00 0.00 H +ATOM 706 CD GLU A 42 12.380 18.956 -5.662 1.00 0.00 C +ATOM 707 OE1 GLU A 42 11.748 19.908 -6.158 1.00 0.00 O +ATOM 708 OE2 GLU A 42 12.472 18.905 -4.381 1.00 0.00 O +ATOM 709 C GLU A 42 16.907 17.448 -7.299 1.00 0.00 C +ATOM 710 O GLU A 42 17.357 18.470 -6.864 1.00 0.00 O +ATOM 711 N ASP A 43 17.782 16.518 -7.654 1.00 0.00 N +ATOM 712 H ASP A 43 17.422 15.701 -8.128 1.00 0.00 H +ATOM 713 CA ASP A 43 19.188 16.649 -7.306 1.00 0.00 C +ATOM 714 HA ASP A 43 19.340 17.234 -6.399 1.00 0.00 H +ATOM 715 CB ASP A 43 19.935 15.292 -7.124 1.00 0.00 C +ATOM 716 HB2 ASP A 43 20.842 15.489 -6.551 1.00 0.00 H +ATOM 717 HB3 ASP A 43 19.373 14.624 -6.472 1.00 0.00 H +ATOM 718 CG ASP A 43 20.347 14.541 -8.424 1.00 0.00 C +ATOM 719 OD1 ASP A 43 21.146 13.599 -8.392 1.00 0.00 O +ATOM 720 OD2 ASP A 43 19.865 14.901 -9.557 1.00 0.00 O +ATOM 721 C ASP A 43 19.980 17.503 -8.324 1.00 0.00 C +ATOM 722 O ASP A 43 21.159 17.851 -8.003 1.00 0.00 O +ATOM 723 N THR A 44 19.361 17.745 -9.519 1.00 0.00 N +ATOM 724 H THR A 44 18.405 17.420 -9.534 1.00 0.00 H +ATOM 725 CA THR A 44 20.018 18.345 -10.734 1.00 0.00 C +ATOM 726 HA THR A 44 20.695 19.130 -10.397 1.00 0.00 H +ATOM 727 CB THR A 44 20.840 17.351 -11.585 1.00 0.00 C +ATOM 728 HB THR A 44 21.031 17.885 -12.516 1.00 0.00 H +ATOM 729 CG2 THR A 44 22.171 16.998 -10.826 1.00 0.00 C +ATOM 730 HG21 THR A 44 22.865 16.457 -11.468 1.00 0.00 H +ATOM 731 HG22 THR A 44 22.688 17.924 -10.575 1.00 0.00 H +ATOM 732 HG23 THR A 44 21.903 16.468 -9.912 1.00 0.00 H +ATOM 733 OG1 THR A 44 20.289 16.142 -11.806 1.00 0.00 O +ATOM 734 HG1 THR A 44 20.385 15.727 -10.946 1.00 0.00 H +ATOM 735 C THR A 44 18.962 19.081 -11.583 1.00 0.00 C +ATOM 736 O THR A 44 18.408 20.025 -11.082 1.00 0.00 O +ATOM 737 N MET A 45 18.742 18.763 -12.922 1.00 0.00 N +ATOM 738 H MET A 45 19.367 18.080 -13.327 1.00 0.00 H +ATOM 739 CA MET A 45 17.860 19.653 -13.768 1.00 0.00 C +ATOM 740 HA MET A 45 17.350 20.268 -13.027 1.00 0.00 H +ATOM 741 CB MET A 45 18.764 20.542 -14.630 1.00 0.00 C +ATOM 742 HB2 MET A 45 19.296 19.853 -15.286 1.00 0.00 H +ATOM 743 HB3 MET A 45 18.145 21.196 -15.245 1.00 0.00 H +ATOM 744 CG MET A 45 19.754 21.476 -13.793 1.00 0.00 C +ATOM 745 HG2 MET A 45 20.056 22.311 -14.424 1.00 0.00 H +ATOM 746 HG3 MET A 45 19.306 21.826 -12.863 1.00 0.00 H +ATOM 747 SD MET A 45 21.318 20.835 -13.226 1.00 0.00 S +ATOM 748 CE MET A 45 21.968 19.881 -14.710 1.00 0.00 C +ATOM 749 HE1 MET A 45 21.177 19.349 -15.238 1.00 0.00 H +ATOM 750 HE2 MET A 45 22.400 20.521 -15.480 1.00 0.00 H +ATOM 751 HE3 MET A 45 22.705 19.138 -14.406 1.00 0.00 H +ATOM 752 C MET A 45 16.847 18.850 -14.566 1.00 0.00 C +ATOM 753 O MET A 45 16.635 19.132 -15.736 1.00 0.00 O +ATOM 754 N GLU A 46 16.187 17.865 -13.973 1.00 0.00 N +ATOM 755 H GLU A 46 16.259 17.756 -12.971 1.00 0.00 H +ATOM 756 CA GLU A 46 15.071 17.146 -14.648 1.00 0.00 C +ATOM 757 HA GLU A 46 15.590 16.795 -15.540 1.00 0.00 H +ATOM 758 CB GLU A 46 14.728 15.868 -13.844 1.00 0.00 C +ATOM 759 HB2 GLU A 46 14.837 16.134 -12.793 1.00 0.00 H +ATOM 760 HB3 GLU A 46 13.700 15.572 -14.051 1.00 0.00 H +ATOM 761 CG GLU A 46 15.606 14.707 -14.329 1.00 0.00 C +ATOM 762 HG2 GLU A 46 15.342 13.779 -13.821 1.00 0.00 H +ATOM 763 HG3 GLU A 46 15.422 14.595 -15.398 1.00 0.00 H +ATOM 764 CD GLU A 46 17.094 14.953 -14.057 1.00 0.00 C +ATOM 765 OE1 GLU A 46 17.866 14.921 -15.017 1.00 0.00 O +ATOM 766 OE2 GLU A 46 17.487 15.052 -12.802 1.00 0.00 O +ATOM 767 C GLU A 46 13.759 17.825 -15.056 1.00 0.00 C +ATOM 768 O GLU A 46 13.222 17.286 -15.997 1.00 0.00 O +ATOM 769 N VAL A 47 13.263 18.877 -14.398 1.00 0.00 N +ATOM 770 H VAL A 47 13.732 19.088 -13.528 1.00 0.00 H +ATOM 771 CA VAL A 47 11.933 19.461 -14.641 1.00 0.00 C +ATOM 772 HA VAL A 47 11.196 18.750 -14.268 1.00 0.00 H +ATOM 773 CB VAL A 47 11.697 20.828 -13.958 1.00 0.00 C +ATOM 774 HB VAL A 47 12.373 21.632 -14.248 1.00 0.00 H +ATOM 775 CG1 VAL A 47 10.301 21.289 -14.180 1.00 0.00 C +ATOM 776 HG11 VAL A 47 10.172 21.589 -15.220 1.00 0.00 H +ATOM 777 HG12 VAL A 47 9.635 20.523 -13.783 1.00 0.00 H +ATOM 778 HG13 VAL A 47 10.120 22.202 -13.613 1.00 0.00 H +ATOM 779 CG2 VAL A 47 11.698 20.571 -12.450 1.00 0.00 C +ATOM 780 HG21 VAL A 47 12.687 20.570 -11.992 1.00 0.00 H +ATOM 781 HG22 VAL A 47 11.324 21.483 -11.985 1.00 0.00 H +ATOM 782 HG23 VAL A 47 11.060 19.761 -12.095 1.00 0.00 H +ATOM 783 C VAL A 47 11.807 19.642 -16.201 1.00 0.00 C +ATOM 784 O VAL A 47 10.766 19.268 -16.703 1.00 0.00 O +ATOM 785 N GLU A 48 12.839 20.136 -16.856 1.00 0.00 N +ATOM 786 H GLU A 48 13.618 20.497 -16.323 1.00 0.00 H +ATOM 787 CA GLU A 48 12.886 20.413 -18.267 1.00 0.00 C +ATOM 788 HA GLU A 48 12.173 21.219 -18.440 1.00 0.00 H +ATOM 789 CB GLU A 48 14.294 20.849 -18.746 1.00 0.00 C +ATOM 790 HB2 GLU A 48 14.864 21.523 -18.107 1.00 0.00 H +ATOM 791 HB3 GLU A 48 14.811 19.892 -18.671 1.00 0.00 H +ATOM 792 CG GLU A 48 14.339 21.296 -20.245 1.00 0.00 C +ATOM 793 HG2 GLU A 48 15.315 21.224 -20.724 1.00 0.00 H +ATOM 794 HG3 GLU A 48 13.639 20.659 -20.786 1.00 0.00 H +ATOM 795 CD GLU A 48 13.823 22.763 -20.390 1.00 0.00 C +ATOM 796 OE1 GLU A 48 12.635 22.860 -20.732 1.00 0.00 O +ATOM 797 OE2 GLU A 48 14.508 23.726 -20.041 1.00 0.00 O +ATOM 798 C GLU A 48 12.348 19.212 -19.136 1.00 0.00 C +ATOM 799 O GLU A 48 11.377 19.378 -19.899 1.00 0.00 O +ATOM 800 N GLU A 49 13.020 18.065 -18.906 1.00 0.00 N +ATOM 801 H GLU A 49 13.656 18.045 -18.122 1.00 0.00 H +ATOM 802 CA GLU A 49 12.730 16.781 -19.547 1.00 0.00 C +ATOM 803 HA GLU A 49 12.506 16.904 -20.606 1.00 0.00 H +ATOM 804 CB GLU A 49 13.840 15.737 -19.179 1.00 0.00 C +ATOM 805 HB2 GLU A 49 13.682 15.315 -18.186 1.00 0.00 H +ATOM 806 HB3 GLU A 49 13.742 14.883 -19.849 1.00 0.00 H +ATOM 807 CG GLU A 49 15.271 16.224 -19.263 1.00 0.00 C +ATOM 808 HG2 GLU A 49 15.470 16.772 -18.342 1.00 0.00 H +ATOM 809 HG3 GLU A 49 15.876 15.332 -19.430 1.00 0.00 H +ATOM 810 CD GLU A 49 15.627 17.176 -20.399 1.00 0.00 C +ATOM 811 OE1 GLU A 49 16.412 18.075 -20.049 1.00 0.00 O +ATOM 812 OE2 GLU A 49 15.187 17.036 -21.577 1.00 0.00 O +ATOM 813 C GLU A 49 11.428 16.120 -19.021 1.00 0.00 C +ATOM 814 O GLU A 49 10.896 15.299 -19.770 1.00 0.00 O +ATOM 815 N PHE A 50 10.912 16.313 -17.789 1.00 0.00 N +ATOM 816 H PHE A 50 11.497 16.821 -17.141 1.00 0.00 H +ATOM 817 CA PHE A 50 9.681 15.606 -17.342 1.00 0.00 C +ATOM 818 HA PHE A 50 9.683 14.545 -17.592 1.00 0.00 H +ATOM 819 CB PHE A 50 9.435 15.654 -15.841 1.00 0.00 C +ATOM 820 HB2 PHE A 50 9.977 16.543 -15.517 1.00 0.00 H +ATOM 821 HB3 PHE A 50 8.366 15.760 -15.659 1.00 0.00 H +ATOM 822 CG PHE A 50 10.055 14.433 -15.117 1.00 0.00 C +ATOM 823 CD1 PHE A 50 11.435 14.249 -15.021 1.00 0.00 C +ATOM 824 HD1 PHE A 50 12.091 14.998 -15.440 1.00 0.00 H +ATOM 825 CE1 PHE A 50 11.934 13.065 -14.458 1.00 0.00 C +ATOM 826 HE1 PHE A 50 13.010 12.968 -14.470 1.00 0.00 H +ATOM 827 CZ PHE A 50 11.092 12.045 -13.976 1.00 0.00 C +ATOM 828 HZ PHE A 50 11.441 11.131 -13.517 1.00 0.00 H +ATOM 829 CE2 PHE A 50 9.664 12.254 -13.992 1.00 0.00 C +ATOM 830 HE2 PHE A 50 8.955 11.608 -13.494 1.00 0.00 H +ATOM 831 CD2 PHE A 50 9.182 13.472 -14.578 1.00 0.00 C +ATOM 832 HD2 PHE A 50 8.129 13.610 -14.774 1.00 0.00 H +ATOM 833 C PHE A 50 8.546 16.277 -18.078 1.00 0.00 C +ATOM 834 O PHE A 50 7.597 15.626 -18.518 1.00 0.00 O +ATOM 835 N LEU A 51 8.627 17.621 -18.125 1.00 0.00 N +ATOM 836 H LEU A 51 9.373 18.080 -17.622 1.00 0.00 H +ATOM 837 CA LEU A 51 7.778 18.474 -19.018 1.00 0.00 C +ATOM 838 HA LEU A 51 6.705 18.419 -18.834 1.00 0.00 H +ATOM 839 CB LEU A 51 8.037 20.017 -18.908 1.00 0.00 C +ATOM 840 HB2 LEU A 51 9.050 20.243 -19.241 1.00 0.00 H +ATOM 841 HB3 LEU A 51 7.388 20.543 -19.608 1.00 0.00 H +ATOM 842 CG LEU A 51 7.722 20.456 -17.459 1.00 0.00 C +ATOM 843 HG LEU A 51 8.319 19.906 -16.732 1.00 0.00 H +ATOM 844 CD1 LEU A 51 8.148 21.910 -17.325 1.00 0.00 C +ATOM 845 HD11 LEU A 51 9.123 22.070 -17.786 1.00 0.00 H +ATOM 846 HD12 LEU A 51 7.479 22.597 -17.844 1.00 0.00 H +ATOM 847 HD13 LEU A 51 8.190 22.194 -16.274 1.00 0.00 H +ATOM 848 CD2 LEU A 51 6.273 20.398 -17.114 1.00 0.00 C +ATOM 849 HD21 LEU A 51 5.599 20.782 -17.879 1.00 0.00 H +ATOM 850 HD22 LEU A 51 5.966 19.354 -17.048 1.00 0.00 H +ATOM 851 HD23 LEU A 51 6.116 20.958 -16.192 1.00 0.00 H +ATOM 852 C LEU A 51 7.662 18.054 -20.505 1.00 0.00 C +ATOM 853 O LEU A 51 6.548 17.822 -21.037 1.00 0.00 O +ATOM 854 N LYS A 52 8.840 17.780 -21.105 1.00 0.00 N +ATOM 855 H LYS A 52 9.647 17.959 -20.524 1.00 0.00 H +ATOM 856 CA LYS A 52 8.831 17.179 -22.460 1.00 0.00 C +ATOM 857 HA LYS A 52 8.189 17.820 -23.064 1.00 0.00 H +ATOM 858 CB LYS A 52 10.216 17.131 -23.044 1.00 0.00 C +ATOM 859 HB2 LYS A 52 10.866 16.631 -22.326 1.00 0.00 H +ATOM 860 HB3 LYS A 52 10.221 16.462 -23.905 1.00 0.00 H +ATOM 861 CG LYS A 52 10.799 18.531 -23.403 1.00 0.00 C +ATOM 862 HG2 LYS A 52 10.433 18.888 -24.365 1.00 0.00 H +ATOM 863 HG3 LYS A 52 10.470 19.187 -22.596 1.00 0.00 H +ATOM 864 CD LYS A 52 12.338 18.479 -23.488 1.00 0.00 C +ATOM 865 HD2 LYS A 52 12.744 18.521 -22.478 1.00 0.00 H +ATOM 866 HD3 LYS A 52 12.638 17.650 -24.129 1.00 0.00 H +ATOM 867 CE LYS A 52 12.860 19.680 -24.253 1.00 0.00 C +ATOM 868 HE2 LYS A 52 12.427 19.639 -25.252 1.00 0.00 H +ATOM 869 HE3 LYS A 52 12.574 20.581 -23.711 1.00 0.00 H +ATOM 870 NZ LYS A 52 14.347 19.582 -24.358 1.00 0.00 N +ATOM 871 HZ1 LYS A 52 14.514 18.614 -24.592 1.00 0.00 H +ATOM 872 HZ2 LYS A 52 14.603 20.189 -25.124 1.00 0.00 H +ATOM 873 HZ3 LYS A 52 14.871 19.752 -23.511 1.00 0.00 H +ATOM 874 C LYS A 52 8.193 15.742 -22.447 1.00 0.00 C +ATOM 875 O LYS A 52 7.290 15.405 -23.275 1.00 0.00 O +ATOM 876 N GLU A 53 8.583 14.856 -21.515 1.00 0.00 N +ATOM 877 H GLU A 53 9.438 14.951 -20.986 1.00 0.00 H +ATOM 878 CA GLU A 53 7.991 13.501 -21.436 1.00 0.00 C +ATOM 879 HA GLU A 53 8.239 13.076 -22.408 1.00 0.00 H +ATOM 880 CB GLU A 53 8.520 12.767 -20.246 1.00 0.00 C +ATOM 881 HB2 GLU A 53 9.605 12.858 -20.296 1.00 0.00 H +ATOM 882 HB3 GLU A 53 8.076 13.143 -19.325 1.00 0.00 H +ATOM 883 CG GLU A 53 8.177 11.264 -20.283 1.00 0.00 C +ATOM 884 HG2 GLU A 53 7.120 11.131 -20.051 1.00 0.00 H +ATOM 885 HG3 GLU A 53 8.329 10.770 -21.242 1.00 0.00 H +ATOM 886 CD GLU A 53 9.098 10.445 -19.348 1.00 0.00 C +ATOM 887 OE1 GLU A 53 9.168 9.248 -19.548 1.00 0.00 O +ATOM 888 OE2 GLU A 53 9.862 11.013 -18.583 1.00 0.00 O +ATOM 889 C GLU A 53 6.474 13.584 -21.247 1.00 0.00 C +ATOM 890 O GLU A 53 5.737 12.843 -21.868 1.00 0.00 O +ATOM 891 N ALA A 54 6.005 14.458 -20.390 1.00 0.00 N +ATOM 892 H ALA A 54 6.586 14.998 -19.765 1.00 0.00 H +ATOM 893 CA ALA A 54 4.586 14.663 -20.205 1.00 0.00 C +ATOM 894 HA ALA A 54 4.089 13.729 -19.944 1.00 0.00 H +ATOM 895 CB ALA A 54 4.249 15.715 -19.116 1.00 0.00 C +ATOM 896 HB1 ALA A 54 4.777 15.411 -18.212 1.00 0.00 H +ATOM 897 HB2 ALA A 54 4.598 16.713 -19.381 1.00 0.00 H +ATOM 898 HB3 ALA A 54 3.167 15.725 -18.981 1.00 0.00 H +ATOM 899 C ALA A 54 3.909 15.198 -21.532 1.00 0.00 C +ATOM 900 O ALA A 54 2.874 14.677 -21.868 1.00 0.00 O +ATOM 901 N ALA A 55 4.489 16.127 -22.272 1.00 0.00 N +ATOM 902 H ALA A 55 5.390 16.522 -22.042 1.00 0.00 H +ATOM 903 CA ALA A 55 3.910 16.408 -23.568 1.00 0.00 C +ATOM 904 HA ALA A 55 2.839 16.552 -23.429 1.00 0.00 H +ATOM 905 CB ALA A 55 4.409 17.711 -24.116 1.00 0.00 C +ATOM 906 HB1 ALA A 55 3.961 18.507 -23.521 1.00 0.00 H +ATOM 907 HB2 ALA A 55 5.481 17.835 -23.963 1.00 0.00 H +ATOM 908 HB3 ALA A 55 4.207 17.811 -25.183 1.00 0.00 H +ATOM 909 C ALA A 55 4.084 15.235 -24.592 1.00 0.00 C +ATOM 910 O ALA A 55 3.265 15.226 -25.467 1.00 0.00 O +ATOM 911 N VAL A 56 5.040 14.298 -24.486 1.00 0.00 N +ATOM 912 H VAL A 56 5.860 14.514 -23.939 1.00 0.00 H +ATOM 913 CA VAL A 56 5.249 13.185 -25.415 1.00 0.00 C +ATOM 914 HA VAL A 56 5.016 13.490 -26.435 1.00 0.00 H +ATOM 915 CB VAL A 56 6.730 12.795 -25.483 1.00 0.00 C +ATOM 916 HB VAL A 56 7.113 12.688 -24.468 1.00 0.00 H +ATOM 917 CG1 VAL A 56 7.030 11.480 -26.158 1.00 0.00 C +ATOM 918 HG11 VAL A 56 8.113 11.354 -26.136 1.00 0.00 H +ATOM 919 HG12 VAL A 56 6.671 10.671 -25.523 1.00 0.00 H +ATOM 920 HG13 VAL A 56 6.458 11.465 -27.086 1.00 0.00 H +ATOM 921 CG2 VAL A 56 7.452 13.915 -26.154 1.00 0.00 C +ATOM 922 HG21 VAL A 56 7.077 13.974 -27.176 1.00 0.00 H +ATOM 923 HG22 VAL A 56 7.503 14.867 -25.625 1.00 0.00 H +ATOM 924 HG23 VAL A 56 8.476 13.599 -26.353 1.00 0.00 H +ATOM 925 C VAL A 56 4.251 12.141 -25.053 1.00 0.00 C +ATOM 926 O VAL A 56 3.593 11.696 -25.951 1.00 0.00 O +ATOM 927 N MET A 57 4.094 11.699 -23.797 1.00 0.00 N +ATOM 928 H MET A 57 4.673 12.051 -23.048 1.00 0.00 H +ATOM 929 CA MET A 57 3.156 10.642 -23.425 1.00 0.00 C +ATOM 930 HA MET A 57 3.303 9.745 -24.027 1.00 0.00 H +ATOM 931 CB MET A 57 3.459 10.207 -21.993 1.00 0.00 C +ATOM 932 HB2 MET A 57 3.400 11.023 -21.274 1.00 0.00 H +ATOM 933 HB3 MET A 57 2.705 9.479 -21.691 1.00 0.00 H +ATOM 934 CG MET A 57 4.787 9.494 -21.804 1.00 0.00 C +ATOM 935 HG2 MET A 57 5.565 10.146 -22.202 1.00 0.00 H +ATOM 936 HG3 MET A 57 4.943 9.361 -20.733 1.00 0.00 H +ATOM 937 SD MET A 57 5.080 7.897 -22.677 1.00 0.00 S +ATOM 938 CE MET A 57 4.193 6.775 -21.603 1.00 0.00 C +ATOM 939 HE1 MET A 57 3.117 6.903 -21.712 1.00 0.00 H +ATOM 940 HE2 MET A 57 4.358 5.748 -21.929 1.00 0.00 H +ATOM 941 HE3 MET A 57 4.545 6.859 -20.574 1.00 0.00 H +ATOM 942 C MET A 57 1.657 11.051 -23.515 1.00 0.00 C +ATOM 943 O MET A 57 0.764 10.211 -23.534 1.00 0.00 O +ATOM 944 N LYS A 58 1.374 12.364 -23.541 1.00 0.00 N +ATOM 945 H LYS A 58 2.064 13.079 -23.359 1.00 0.00 H +ATOM 946 CA LYS A 58 0.004 12.840 -23.871 1.00 0.00 C +ATOM 947 HA LYS A 58 -0.809 12.203 -23.520 1.00 0.00 H +ATOM 948 CB LYS A 58 -0.133 14.250 -23.304 1.00 0.00 C +ATOM 949 HB2 LYS A 58 0.767 14.850 -23.446 1.00 0.00 H +ATOM 950 HB3 LYS A 58 -1.077 14.706 -23.602 1.00 0.00 H +ATOM 951 CG LYS A 58 -0.425 14.081 -21.774 1.00 0.00 C +ATOM 952 HG2 LYS A 58 -1.331 13.493 -21.630 1.00 0.00 H +ATOM 953 HG3 LYS A 58 0.423 13.527 -21.371 1.00 0.00 H +ATOM 954 CD LYS A 58 -0.654 15.301 -20.923 1.00 0.00 C +ATOM 955 HD2 LYS A 58 -1.481 15.813 -21.414 1.00 0.00 H +ATOM 956 HD3 LYS A 58 -1.062 14.937 -19.980 1.00 0.00 H +ATOM 957 CE LYS A 58 0.552 16.167 -20.669 1.00 0.00 C +ATOM 958 HE2 LYS A 58 1.390 15.620 -20.235 1.00 0.00 H +ATOM 959 HE3 LYS A 58 0.779 16.668 -21.610 1.00 0.00 H +ATOM 960 NZ LYS A 58 0.300 17.275 -19.739 1.00 0.00 N +ATOM 961 HZ1 LYS A 58 -0.489 17.879 -19.917 1.00 0.00 H +ATOM 962 HZ2 LYS A 58 0.091 16.882 -18.832 1.00 0.00 H +ATOM 963 HZ3 LYS A 58 1.098 17.891 -19.685 1.00 0.00 H +ATOM 964 C LYS A 58 -0.317 13.041 -25.338 1.00 0.00 C +ATOM 965 O LYS A 58 -1.499 13.024 -25.719 1.00 0.00 O +ATOM 966 N GLU A 59 0.759 12.967 -26.144 1.00 0.00 N +ATOM 967 H GLU A 59 1.683 12.979 -25.738 1.00 0.00 H +ATOM 968 CA GLU A 59 0.664 12.650 -27.545 1.00 0.00 C +ATOM 969 HA GLU A 59 -0.211 13.134 -27.978 1.00 0.00 H +ATOM 970 CB GLU A 59 1.862 13.322 -28.288 1.00 0.00 C +ATOM 971 HB2 GLU A 59 2.074 14.381 -28.141 1.00 0.00 H +ATOM 972 HB3 GLU A 59 2.657 12.642 -27.984 1.00 0.00 H +ATOM 973 CG GLU A 59 1.648 13.072 -29.797 1.00 0.00 C +ATOM 974 HG2 GLU A 59 2.452 13.473 -30.414 1.00 0.00 H +ATOM 975 HG3 GLU A 59 1.771 12.019 -30.050 1.00 0.00 H +ATOM 976 CD GLU A 59 0.334 13.600 -30.428 1.00 0.00 C +ATOM 977 OE1 GLU A 59 0.100 13.030 -31.509 1.00 0.00 O +ATOM 978 OE2 GLU A 59 -0.256 14.614 -29.960 1.00 0.00 O +ATOM 979 C GLU A 59 0.601 11.070 -27.838 1.00 0.00 C +ATOM 980 O GLU A 59 -0.414 10.624 -28.379 1.00 0.00 O +ATOM 981 N ILE A 60 1.631 10.293 -27.577 1.00 0.00 N +ATOM 982 H ILE A 60 2.482 10.677 -27.191 1.00 0.00 H +ATOM 983 CA ILE A 60 1.797 8.932 -28.156 1.00 0.00 C +ATOM 984 HA ILE A 60 1.788 9.035 -29.241 1.00 0.00 H +ATOM 985 CB ILE A 60 3.215 8.351 -28.011 1.00 0.00 C +ATOM 986 HB ILE A 60 3.158 7.338 -28.409 1.00 0.00 H +ATOM 987 CG2 ILE A 60 4.284 9.036 -28.980 1.00 0.00 C +ATOM 988 HG21 ILE A 60 3.997 8.925 -30.025 1.00 0.00 H +ATOM 989 HG22 ILE A 60 4.375 10.117 -28.872 1.00 0.00 H +ATOM 990 HG23 ILE A 60 5.237 8.541 -28.792 1.00 0.00 H +ATOM 991 CG1 ILE A 60 3.736 8.186 -26.588 1.00 0.00 C +ATOM 992 HG12 ILE A 60 3.922 9.214 -26.276 1.00 0.00 H +ATOM 993 HG13 ILE A 60 3.020 7.715 -25.914 1.00 0.00 H +ATOM 994 CD1 ILE A 60 4.968 7.220 -26.466 1.00 0.00 C +ATOM 995 HD11 ILE A 60 5.373 7.312 -25.458 1.00 0.00 H +ATOM 996 HD12 ILE A 60 4.604 6.196 -26.544 1.00 0.00 H +ATOM 997 HD13 ILE A 60 5.843 7.504 -27.051 1.00 0.00 H +ATOM 998 C ILE A 60 0.700 7.966 -27.692 1.00 0.00 C +ATOM 999 O ILE A 60 0.449 7.852 -26.471 1.00 0.00 O +ATOM 1000 N LYS A 61 0.083 7.260 -28.616 1.00 0.00 N +ATOM 1001 H LYS A 61 0.427 7.278 -29.565 1.00 0.00 H +ATOM 1002 CA LYS A 61 -1.116 6.413 -28.492 1.00 0.00 C +ATOM 1003 HA LYS A 61 -1.196 5.896 -27.535 1.00 0.00 H +ATOM 1004 CB LYS A 61 -2.371 7.272 -28.699 1.00 0.00 C +ATOM 1005 HB2 LYS A 61 -2.362 8.189 -28.109 1.00 0.00 H +ATOM 1006 HB3 LYS A 61 -2.431 7.642 -29.722 1.00 0.00 H +ATOM 1007 CG LYS A 61 -3.695 6.476 -28.328 1.00 0.00 C +ATOM 1008 HG2 LYS A 61 -3.751 5.588 -28.958 1.00 0.00 H +ATOM 1009 HG3 LYS A 61 -3.595 6.202 -27.278 1.00 0.00 H +ATOM 1010 CD LYS A 61 -4.936 7.289 -28.380 1.00 0.00 C +ATOM 1011 HD2 LYS A 61 -5.737 6.740 -27.886 1.00 0.00 H +ATOM 1012 HD3 LYS A 61 -4.841 8.287 -27.952 1.00 0.00 H +ATOM 1013 CE LYS A 61 -5.364 7.496 -29.878 1.00 0.00 C +ATOM 1014 HE2 LYS A 61 -4.607 8.110 -30.367 1.00 0.00 H +ATOM 1015 HE3 LYS A 61 -5.403 6.570 -30.452 1.00 0.00 H +ATOM 1016 NZ LYS A 61 -6.711 8.180 -29.831 1.00 0.00 N +ATOM 1017 HZ1 LYS A 61 -7.331 7.803 -29.128 1.00 0.00 H +ATOM 1018 HZ2 LYS A 61 -6.550 9.157 -29.633 1.00 0.00 H +ATOM 1019 HZ3 LYS A 61 -7.018 7.995 -30.775 1.00 0.00 H +ATOM 1020 C LYS A 61 -1.038 5.256 -29.494 1.00 0.00 C +ATOM 1021 O LYS A 61 -1.492 5.312 -30.655 1.00 0.00 O +ATOM 1022 N HIS A 62 -0.442 4.201 -29.050 1.00 0.00 N +ATOM 1023 H HIS A 62 -0.262 4.224 -28.056 1.00 0.00 H +ATOM 1024 CA HIS A 62 -0.159 2.911 -29.754 1.00 0.00 C +ATOM 1025 HA HIS A 62 -0.971 2.841 -30.478 1.00 0.00 H +ATOM 1026 CB HIS A 62 1.180 2.991 -30.515 1.00 0.00 C +ATOM 1027 HB2 HIS A 62 1.165 3.885 -31.138 1.00 0.00 H +ATOM 1028 HB3 HIS A 62 1.935 3.076 -29.734 1.00 0.00 H +ATOM 1029 CG HIS A 62 1.484 1.769 -31.323 1.00 0.00 C +ATOM 1030 ND1 HIS A 62 2.100 0.622 -30.851 1.00 0.00 N +ATOM 1031 CE1 HIS A 62 2.188 -0.267 -31.823 1.00 0.00 C +ATOM 1032 HE1 HIS A 62 2.758 -1.178 -31.715 1.00 0.00 H +ATOM 1033 NE2 HIS A 62 1.672 0.285 -32.900 1.00 0.00 N +ATOM 1034 HE2 HIS A 62 1.788 -0.051 -33.845 1.00 0.00 H +ATOM 1035 CD2 HIS A 62 1.261 1.576 -32.614 1.00 0.00 C +ATOM 1036 HD2 HIS A 62 0.815 2.288 -33.292 1.00 0.00 H +ATOM 1037 C HIS A 62 -0.218 1.727 -28.810 1.00 0.00 C +ATOM 1038 O HIS A 62 0.298 1.783 -27.711 1.00 0.00 O +ATOM 1039 N PRO A 63 -0.773 0.606 -29.260 1.00 0.00 N +ATOM 1040 CD PRO A 63 -1.531 0.316 -30.489 1.00 0.00 C +ATOM 1041 HD2 PRO A 63 -0.892 0.583 -31.331 1.00 0.00 H +ATOM 1042 HD3 PRO A 63 -2.486 0.836 -30.413 1.00 0.00 H +ATOM 1043 CG PRO A 63 -1.754 -1.206 -30.525 1.00 0.00 C +ATOM 1044 HG2 PRO A 63 -0.883 -1.686 -30.972 1.00 0.00 H +ATOM 1045 HG3 PRO A 63 -2.622 -1.512 -31.109 1.00 0.00 H +ATOM 1046 CB PRO A 63 -1.859 -1.585 -29.096 1.00 0.00 C +ATOM 1047 HB2 PRO A 63 -1.507 -2.585 -28.840 1.00 0.00 H +ATOM 1048 HB3 PRO A 63 -2.866 -1.459 -28.699 1.00 0.00 H +ATOM 1049 CA PRO A 63 -0.944 -0.547 -28.374 1.00 0.00 C +ATOM 1050 HA PRO A 63 -1.457 -0.139 -27.503 1.00 0.00 H +ATOM 1051 C PRO A 63 0.338 -1.127 -27.819 1.00 0.00 C +ATOM 1052 O PRO A 63 0.316 -1.548 -26.703 1.00 0.00 O +ATOM 1053 N ASN A 64 1.443 -1.047 -28.510 1.00 0.00 N +ATOM 1054 H ASN A 64 1.478 -0.460 -29.331 1.00 0.00 H +ATOM 1055 CA ASN A 64 2.684 -1.598 -27.969 1.00 0.00 C +ATOM 1056 HA ASN A 64 2.455 -2.237 -27.117 1.00 0.00 H +ATOM 1057 CB ASN A 64 3.414 -2.484 -29.023 1.00 0.00 C +ATOM 1058 HB2 ASN A 64 3.517 -1.822 -29.883 1.00 0.00 H +ATOM 1059 HB3 ASN A 64 4.370 -2.817 -28.619 1.00 0.00 H +ATOM 1060 CG ASN A 64 2.480 -3.507 -29.616 1.00 0.00 C +ATOM 1061 OD1 ASN A 64 1.820 -3.372 -30.582 1.00 0.00 O +ATOM 1062 ND2 ASN A 64 2.329 -4.578 -28.883 1.00 0.00 N +ATOM 1063 HD21 ASN A 64 1.530 -5.097 -29.216 1.00 0.00 H +ATOM 1064 HD22 ASN A 64 2.772 -4.666 -27.980 1.00 0.00 H +ATOM 1065 C ASN A 64 3.576 -0.508 -27.479 1.00 0.00 C +ATOM 1066 O ASN A 64 4.799 -0.766 -27.193 1.00 0.00 O +ATOM 1067 N LEU A 65 3.132 0.723 -27.128 1.00 0.00 N +ATOM 1068 H LEU A 65 2.128 0.805 -27.205 1.00 0.00 H +ATOM 1069 CA LEU A 65 3.742 1.766 -26.290 1.00 0.00 C +ATOM 1070 HA LEU A 65 4.741 1.442 -25.999 1.00 0.00 H +ATOM 1071 CB LEU A 65 3.904 3.065 -27.089 1.00 0.00 C +ATOM 1072 HB2 LEU A 65 2.898 3.339 -27.409 1.00 0.00 H +ATOM 1073 HB3 LEU A 65 4.188 3.813 -26.349 1.00 0.00 H +ATOM 1074 CG LEU A 65 4.914 2.687 -28.175 1.00 0.00 C +ATOM 1075 HG LEU A 65 4.713 1.785 -28.754 1.00 0.00 H +ATOM 1076 CD1 LEU A 65 4.871 3.836 -29.186 1.00 0.00 C +ATOM 1077 HD11 LEU A 65 5.304 4.797 -28.908 1.00 0.00 H +ATOM 1078 HD12 LEU A 65 5.521 3.562 -30.017 1.00 0.00 H +ATOM 1079 HD13 LEU A 65 3.875 3.934 -29.618 1.00 0.00 H +ATOM 1080 CD2 LEU A 65 6.387 2.740 -27.670 1.00 0.00 C +ATOM 1081 HD21 LEU A 65 6.510 1.955 -26.924 1.00 0.00 H +ATOM 1082 HD22 LEU A 65 7.042 2.669 -28.538 1.00 0.00 H +ATOM 1083 HD23 LEU A 65 6.693 3.682 -27.214 1.00 0.00 H +ATOM 1084 C LEU A 65 3.066 1.976 -24.957 1.00 0.00 C +ATOM 1085 O LEU A 65 1.872 2.311 -24.844 1.00 0.00 O +ATOM 1086 N VAL A 66 3.849 1.707 -23.885 1.00 0.00 N +ATOM 1087 H VAL A 66 4.821 1.612 -24.144 1.00 0.00 H +ATOM 1088 CA VAL A 66 3.323 1.691 -22.472 1.00 0.00 C +ATOM 1089 HA VAL A 66 2.795 0.755 -22.287 1.00 0.00 H +ATOM 1090 CB VAL A 66 4.609 1.502 -21.628 1.00 0.00 C +ATOM 1091 HB VAL A 66 5.194 0.615 -21.872 1.00 0.00 H +ATOM 1092 CG1 VAL A 66 5.645 2.670 -21.817 1.00 0.00 C +ATOM 1093 HG11 VAL A 66 5.889 2.698 -22.879 1.00 0.00 H +ATOM 1094 HG12 VAL A 66 5.292 3.683 -21.625 1.00 0.00 H +ATOM 1095 HG13 VAL A 66 6.454 2.493 -21.109 1.00 0.00 H +ATOM 1096 CG2 VAL A 66 4.166 1.422 -20.158 1.00 0.00 C +ATOM 1097 HG21 VAL A 66 3.545 0.534 -20.046 1.00 0.00 H +ATOM 1098 HG22 VAL A 66 5.016 1.100 -19.556 1.00 0.00 H +ATOM 1099 HG23 VAL A 66 3.728 2.323 -19.727 1.00 0.00 H +ATOM 1100 C VAL A 66 2.432 2.859 -22.140 1.00 0.00 C +ATOM 1101 O VAL A 66 2.825 3.990 -22.262 1.00 0.00 O +ATOM 1102 N GLN A 67 1.123 2.579 -21.908 1.00 0.00 N +ATOM 1103 H GLN A 67 0.941 1.586 -21.939 1.00 0.00 H +ATOM 1104 CA GLN A 67 0.043 3.565 -21.646 1.00 0.00 C +ATOM 1105 HA GLN A 67 -0.080 4.195 -22.527 1.00 0.00 H +ATOM 1106 CB GLN A 67 -1.253 2.786 -21.366 1.00 0.00 C +ATOM 1107 HB2 GLN A 67 -1.344 2.146 -22.245 1.00 0.00 H +ATOM 1108 HB3 GLN A 67 -1.154 2.120 -20.509 1.00 0.00 H +ATOM 1109 CG GLN A 67 -2.571 3.521 -21.163 1.00 0.00 C +ATOM 1110 HG2 GLN A 67 -2.481 4.003 -20.190 1.00 0.00 H +ATOM 1111 HG3 GLN A 67 -2.758 4.260 -21.943 1.00 0.00 H +ATOM 1112 CD GLN A 67 -3.700 2.494 -21.229 1.00 0.00 C +ATOM 1113 OE1 GLN A 67 -3.835 1.587 -20.429 1.00 0.00 O +ATOM 1114 NE2 GLN A 67 -4.437 2.418 -22.269 1.00 0.00 N +ATOM 1115 HE21 GLN A 67 -5.084 1.645 -22.332 1.00 0.00 H +ATOM 1116 HE22 GLN A 67 -4.385 3.150 -22.964 1.00 0.00 H +ATOM 1117 C GLN A 67 0.359 4.488 -20.444 1.00 0.00 C +ATOM 1118 O GLN A 67 0.566 4.001 -19.322 1.00 0.00 O +ATOM 1119 N LEU A 68 0.240 5.832 -20.634 1.00 0.00 N +ATOM 1120 H LEU A 68 0.002 6.087 -21.581 1.00 0.00 H +ATOM 1121 CA LEU A 68 -0.144 6.792 -19.582 1.00 0.00 C +ATOM 1122 HA LEU A 68 0.471 6.640 -18.695 1.00 0.00 H +ATOM 1123 CB LEU A 68 0.235 8.156 -20.195 1.00 0.00 C +ATOM 1124 HB2 LEU A 68 1.283 8.092 -20.486 1.00 0.00 H +ATOM 1125 HB3 LEU A 68 -0.346 8.350 -21.096 1.00 0.00 H +ATOM 1126 CG LEU A 68 0.111 9.283 -19.191 1.00 0.00 C +ATOM 1127 HG LEU A 68 -0.813 9.081 -18.648 1.00 0.00 H +ATOM 1128 CD1 LEU A 68 1.325 9.397 -18.305 1.00 0.00 C +ATOM 1129 HD11 LEU A 68 2.293 9.426 -18.806 1.00 0.00 H +ATOM 1130 HD12 LEU A 68 1.151 10.199 -17.587 1.00 0.00 H +ATOM 1131 HD13 LEU A 68 1.457 8.527 -17.662 1.00 0.00 H +ATOM 1132 CD2 LEU A 68 -0.045 10.569 -19.995 1.00 0.00 C +ATOM 1133 HD21 LEU A 68 -0.706 10.405 -20.846 1.00 0.00 H +ATOM 1134 HD22 LEU A 68 -0.469 11.335 -19.346 1.00 0.00 H +ATOM 1135 HD23 LEU A 68 0.953 10.845 -20.336 1.00 0.00 H +ATOM 1136 C LEU A 68 -1.642 6.604 -19.129 1.00 0.00 C +ATOM 1137 O LEU A 68 -2.517 6.514 -19.998 1.00 0.00 O +ATOM 1138 N LEU A 69 -1.795 6.551 -17.768 1.00 0.00 N +ATOM 1139 H LEU A 69 -0.982 6.592 -17.170 1.00 0.00 H +ATOM 1140 CA LEU A 69 -3.026 6.566 -16.929 1.00 0.00 C +ATOM 1141 HA LEU A 69 -3.858 6.434 -17.620 1.00 0.00 H +ATOM 1142 CB LEU A 69 -3.003 5.338 -15.925 1.00 0.00 C +ATOM 1143 HB2 LEU A 69 -2.175 5.272 -15.219 1.00 0.00 H +ATOM 1144 HB3 LEU A 69 -3.911 5.397 -15.324 1.00 0.00 H +ATOM 1145 CG LEU A 69 -3.135 3.979 -16.583 1.00 0.00 C +ATOM 1146 HG LEU A 69 -2.267 3.787 -17.213 1.00 0.00 H +ATOM 1147 CD1 LEU A 69 -3.149 2.795 -15.604 1.00 0.00 C +ATOM 1148 HD11 LEU A 69 -2.308 2.801 -14.911 1.00 0.00 H +ATOM 1149 HD12 LEU A 69 -4.033 2.871 -14.970 1.00 0.00 H +ATOM 1150 HD13 LEU A 69 -2.994 1.917 -16.231 1.00 0.00 H +ATOM 1151 CD2 LEU A 69 -4.356 3.842 -17.466 1.00 0.00 C +ATOM 1152 HD21 LEU A 69 -5.263 4.073 -16.907 1.00 0.00 H +ATOM 1153 HD22 LEU A 69 -4.236 4.461 -18.356 1.00 0.00 H +ATOM 1154 HD23 LEU A 69 -4.463 2.801 -17.771 1.00 0.00 H +ATOM 1155 C LEU A 69 -3.167 7.945 -16.191 1.00 0.00 C +ATOM 1156 O LEU A 69 -4.308 8.243 -15.799 1.00 0.00 O +ATOM 1157 N GLY A 70 -2.193 8.878 -16.219 1.00 0.00 N +ATOM 1158 H GLY A 70 -1.274 8.600 -16.533 1.00 0.00 H +ATOM 1159 CA GLY A 70 -2.179 10.277 -15.561 1.00 0.00 C +ATOM 1160 HA2 GLY A 70 -2.662 10.993 -16.226 1.00 0.00 H +ATOM 1161 HA3 GLY A 70 -2.709 9.989 -14.653 1.00 0.00 H +ATOM 1162 C GLY A 70 -0.775 10.834 -15.277 1.00 0.00 C +ATOM 1163 O GLY A 70 0.259 10.111 -15.283 1.00 0.00 O +ATOM 1164 N VAL A 71 -0.643 12.134 -14.971 1.00 0.00 N +ATOM 1165 H VAL A 71 -1.472 12.708 -15.038 1.00 0.00 H +ATOM 1166 CA VAL A 71 0.612 12.830 -14.471 1.00 0.00 C +ATOM 1167 HA VAL A 71 1.333 12.080 -14.147 1.00 0.00 H +ATOM 1168 CB VAL A 71 1.207 13.734 -15.590 1.00 0.00 C +ATOM 1169 HB VAL A 71 2.079 14.339 -15.342 1.00 0.00 H +ATOM 1170 CG1 VAL A 71 1.672 12.801 -16.716 1.00 0.00 C +ATOM 1171 HG11 VAL A 71 2.294 13.423 -17.359 1.00 0.00 H +ATOM 1172 HG12 VAL A 71 2.284 11.961 -16.386 1.00 0.00 H +ATOM 1173 HG13 VAL A 71 0.773 12.430 -17.208 1.00 0.00 H +ATOM 1174 CG2 VAL A 71 0.240 14.730 -16.211 1.00 0.00 C +ATOM 1175 HG21 VAL A 71 0.772 15.358 -16.926 1.00 0.00 H +ATOM 1176 HG22 VAL A 71 -0.647 14.274 -16.651 1.00 0.00 H +ATOM 1177 HG23 VAL A 71 -0.124 15.300 -15.357 1.00 0.00 H +ATOM 1178 C VAL A 71 0.383 13.673 -13.222 1.00 0.00 C +ATOM 1179 O VAL A 71 -0.712 14.051 -12.884 1.00 0.00 O +ATOM 1180 N CYS A 72 1.443 14.069 -12.518 1.00 0.00 N +ATOM 1181 H CYS A 72 2.347 13.677 -12.742 1.00 0.00 H +ATOM 1182 CA CYS A 72 1.258 15.177 -11.501 1.00 0.00 C +ATOM 1183 HA CYS A 72 0.273 15.638 -11.575 1.00 0.00 H +ATOM 1184 CB CYS A 72 1.371 14.624 -9.984 1.00 0.00 C +ATOM 1185 HB2 CYS A 72 2.415 14.452 -9.723 1.00 0.00 H +ATOM 1186 HB3 CYS A 72 1.127 15.429 -9.292 1.00 0.00 H +ATOM 1187 SG CYS A 72 0.360 13.154 -9.802 1.00 0.00 S +ATOM 1188 HG CYS A 72 -0.756 13.889 -9.821 1.00 0.00 H +ATOM 1189 C CYS A 72 2.302 16.345 -11.875 1.00 0.00 C +ATOM 1190 O CYS A 72 3.469 16.063 -11.731 1.00 0.00 O +ATOM 1191 N THR A 73 1.898 17.474 -12.410 1.00 0.00 N +ATOM 1192 H THR A 73 0.891 17.553 -12.443 1.00 0.00 H +ATOM 1193 CA THR A 73 2.770 18.591 -12.888 1.00 0.00 C +ATOM 1194 HA THR A 73 3.733 18.509 -12.384 1.00 0.00 H +ATOM 1195 CB THR A 73 3.175 18.500 -14.379 1.00 0.00 C +ATOM 1196 HB THR A 73 4.069 19.118 -14.469 1.00 0.00 H +ATOM 1197 CG2 THR A 73 3.556 17.073 -14.745 1.00 0.00 C +ATOM 1198 HG21 THR A 73 2.660 16.462 -14.643 1.00 0.00 H +ATOM 1199 HG22 THR A 73 3.739 16.953 -15.812 1.00 0.00 H +ATOM 1200 HG23 THR A 73 4.340 16.688 -14.093 1.00 0.00 H +ATOM 1201 OG1 THR A 73 2.183 18.938 -15.298 1.00 0.00 O +ATOM 1202 HG1 THR A 73 1.375 18.523 -14.987 1.00 0.00 H +ATOM 1203 C THR A 73 2.354 19.976 -12.448 1.00 0.00 C +ATOM 1204 O THR A 73 2.861 20.994 -12.939 1.00 0.00 O +ATOM 1205 N ARG A 74 1.321 20.039 -11.574 1.00 0.00 N +ATOM 1206 H ARG A 74 1.006 19.154 -11.204 1.00 0.00 H +ATOM 1207 CA ARG A 74 1.007 21.283 -10.806 1.00 0.00 C +ATOM 1208 HA ARG A 74 1.093 22.133 -11.484 1.00 0.00 H +ATOM 1209 CB ARG A 74 -0.438 21.143 -10.311 1.00 0.00 C +ATOM 1210 HB2 ARG A 74 -0.586 20.170 -9.844 1.00 0.00 H +ATOM 1211 HB3 ARG A 74 -0.610 22.066 -9.757 1.00 0.00 H +ATOM 1212 CG ARG A 74 -1.472 21.316 -11.547 1.00 0.00 C +ATOM 1213 HG2 ARG A 74 -1.361 22.282 -12.040 1.00 0.00 H +ATOM 1214 HG3 ARG A 74 -1.281 20.649 -12.388 1.00 0.00 H +ATOM 1215 CD ARG A 74 -2.988 21.143 -11.257 1.00 0.00 C +ATOM 1216 HD2 ARG A 74 -3.251 22.120 -10.854 1.00 0.00 H +ATOM 1217 HD3 ARG A 74 -3.628 21.033 -12.132 1.00 0.00 H +ATOM 1218 NE ARG A 74 -3.142 20.082 -10.254 1.00 0.00 N +ATOM 1219 HE ARG A 74 -2.346 19.495 -10.046 1.00 0.00 H +ATOM 1220 CZ ARG A 74 -4.274 19.643 -9.706 1.00 0.00 C +ATOM 1221 NH1 ARG A 74 -5.372 20.271 -9.885 1.00 0.00 N +ATOM 1222 HH11 ARG A 74 -5.364 21.250 -10.133 1.00 0.00 H +ATOM 1223 HH12 ARG A 74 -6.075 20.051 -9.194 1.00 0.00 H +ATOM 1224 NH2 ARG A 74 -4.176 18.519 -9.051 1.00 0.00 N +ATOM 1225 HH21 ARG A 74 -3.275 18.150 -8.781 1.00 0.00 H +ATOM 1226 HH22 ARG A 74 -5.007 18.039 -8.736 1.00 0.00 H +ATOM 1227 C ARG A 74 1.946 21.579 -9.652 1.00 0.00 C +ATOM 1228 O ARG A 74 2.083 22.755 -9.260 1.00 0.00 O +ATOM 1229 N GLU A 75 2.709 20.616 -9.075 1.00 0.00 N +ATOM 1230 H GLU A 75 2.603 19.732 -9.551 1.00 0.00 H +ATOM 1231 CA GLU A 75 3.730 20.809 -8.037 1.00 0.00 C +ATOM 1232 HA GLU A 75 4.242 21.727 -8.327 1.00 0.00 H +ATOM 1233 CB GLU A 75 3.126 21.220 -6.668 1.00 0.00 C +ATOM 1234 HB2 GLU A 75 3.867 21.887 -6.227 1.00 0.00 H +ATOM 1235 HB3 GLU A 75 2.279 21.862 -6.913 1.00 0.00 H +ATOM 1236 CG GLU A 75 2.675 20.116 -5.742 1.00 0.00 C +ATOM 1237 HG2 GLU A 75 3.405 19.318 -5.605 1.00 0.00 H +ATOM 1238 HG3 GLU A 75 2.555 20.536 -4.743 1.00 0.00 H +ATOM 1239 CD GLU A 75 1.314 19.716 -6.143 1.00 0.00 C +ATOM 1240 OE1 GLU A 75 0.368 20.477 -5.872 1.00 0.00 O +ATOM 1241 OE2 GLU A 75 1.169 18.569 -6.650 1.00 0.00 O +ATOM 1242 C GLU A 75 4.870 19.827 -7.956 1.00 0.00 C +ATOM 1243 O GLU A 75 4.709 18.683 -8.376 1.00 0.00 O +ATOM 1244 N PRO A 76 6.065 20.307 -7.469 1.00 0.00 N +ATOM 1245 CD PRO A 76 6.443 21.693 -7.424 1.00 0.00 C +ATOM 1246 HD2 PRO A 76 5.822 22.240 -6.714 1.00 0.00 H +ATOM 1247 HD3 PRO A 76 6.417 22.152 -8.412 1.00 0.00 H +ATOM 1248 CG PRO A 76 7.878 21.671 -6.893 1.00 0.00 C +ATOM 1249 HG2 PRO A 76 7.881 21.537 -5.811 1.00 0.00 H +ATOM 1250 HG3 PRO A 76 8.379 22.580 -7.224 1.00 0.00 H +ATOM 1251 CB PRO A 76 8.428 20.389 -7.529 1.00 0.00 C +ATOM 1252 HB2 PRO A 76 9.351 20.033 -7.072 1.00 0.00 H +ATOM 1253 HB3 PRO A 76 8.593 20.564 -8.592 1.00 0.00 H +ATOM 1254 CA PRO A 76 7.240 19.476 -7.381 1.00 0.00 C +ATOM 1255 HA PRO A 76 7.179 18.747 -8.190 1.00 0.00 H +ATOM 1256 C PRO A 76 7.304 18.668 -6.046 1.00 0.00 C +ATOM 1257 O PRO A 76 6.956 19.256 -5.032 1.00 0.00 O +ATOM 1258 N PRO A 77 7.622 17.343 -6.050 1.00 0.00 N +ATOM 1259 CD PRO A 77 7.847 16.542 -4.837 1.00 0.00 C +ATOM 1260 HD2 PRO A 77 7.018 15.838 -4.911 1.00 0.00 H +ATOM 1261 HD3 PRO A 77 7.832 17.069 -3.883 1.00 0.00 H +ATOM 1262 CG PRO A 77 9.057 15.667 -5.171 1.00 0.00 C +ATOM 1263 HG2 PRO A 77 9.155 14.747 -4.594 1.00 0.00 H +ATOM 1264 HG3 PRO A 77 9.969 16.235 -4.991 1.00 0.00 H +ATOM 1265 CB PRO A 77 8.715 15.417 -6.698 1.00 0.00 C +ATOM 1266 HB2 PRO A 77 8.103 14.538 -6.904 1.00 0.00 H +ATOM 1267 HB3 PRO A 77 9.667 15.322 -7.222 1.00 0.00 H +ATOM 1268 CA PRO A 77 8.089 16.636 -7.304 1.00 0.00 C +ATOM 1269 HA PRO A 77 8.857 17.278 -7.735 1.00 0.00 H +ATOM 1270 C PRO A 77 7.015 16.322 -8.300 1.00 0.00 C +ATOM 1271 O PRO A 77 5.871 16.035 -7.856 1.00 0.00 O +ATOM 1272 N PHE A 78 7.323 16.328 -9.598 1.00 0.00 N +ATOM 1273 H PHE A 78 8.246 16.591 -9.911 1.00 0.00 H +ATOM 1274 CA PHE A 78 6.370 15.764 -10.590 1.00 0.00 C +ATOM 1275 HA PHE A 78 5.342 16.044 -10.361 1.00 0.00 H +ATOM 1276 CB PHE A 78 6.633 16.268 -12.041 1.00 0.00 C +ATOM 1277 HB2 PHE A 78 7.620 15.881 -12.291 1.00 0.00 H +ATOM 1278 HB3 PHE A 78 5.895 15.852 -12.727 1.00 0.00 H +ATOM 1279 CG PHE A 78 6.619 17.775 -12.174 1.00 0.00 C +ATOM 1280 CD1 PHE A 78 7.152 18.384 -13.382 1.00 0.00 C +ATOM 1281 HD1 PHE A 78 7.429 17.734 -14.198 1.00 0.00 H +ATOM 1282 CE1 PHE A 78 7.006 19.700 -13.612 1.00 0.00 C +ATOM 1283 HE1 PHE A 78 7.373 20.151 -14.522 1.00 0.00 H +ATOM 1284 CZ PHE A 78 6.341 20.545 -12.700 1.00 0.00 C +ATOM 1285 HZ PHE A 78 6.387 21.614 -12.847 1.00 0.00 H +ATOM 1286 CE2 PHE A 78 5.820 19.990 -11.532 1.00 0.00 C +ATOM 1287 HE2 PHE A 78 5.275 20.578 -10.809 1.00 0.00 H +ATOM 1288 CD2 PHE A 78 5.930 18.611 -11.253 1.00 0.00 C +ATOM 1289 HD2 PHE A 78 5.505 18.178 -10.359 1.00 0.00 H +ATOM 1290 C PHE A 78 6.312 14.240 -10.675 1.00 0.00 C +ATOM 1291 O PHE A 78 7.308 13.490 -10.527 1.00 0.00 O +ATOM 1292 N TYR A 79 5.152 13.686 -10.964 1.00 0.00 N +ATOM 1293 H TYR A 79 4.373 14.302 -11.148 1.00 0.00 H +ATOM 1294 CA TYR A 79 4.982 12.194 -11.130 1.00 0.00 C +ATOM 1295 HA TYR A 79 5.987 11.781 -11.047 1.00 0.00 H +ATOM 1296 CB TYR A 79 3.949 11.553 -10.217 1.00 0.00 C +ATOM 1297 HB2 TYR A 79 3.037 12.146 -10.290 1.00 0.00 H +ATOM 1298 HB3 TYR A 79 3.745 10.552 -10.596 1.00 0.00 H +ATOM 1299 CG TYR A 79 4.229 11.299 -8.775 1.00 0.00 C +ATOM 1300 CD1 TYR A 79 3.167 10.940 -7.919 1.00 0.00 C +ATOM 1301 HD1 TYR A 79 2.149 11.055 -8.262 1.00 0.00 H +ATOM 1302 CE1 TYR A 79 3.299 10.703 -6.528 1.00 0.00 C +ATOM 1303 HE1 TYR A 79 2.427 10.534 -5.914 1.00 0.00 H +ATOM 1304 CZ TYR A 79 4.643 10.767 -6.037 1.00 0.00 C +ATOM 1305 OH TYR A 79 4.861 10.334 -4.790 1.00 0.00 O +ATOM 1306 HH TYR A 79 4.115 9.939 -4.332 1.00 0.00 H +ATOM 1307 CE2 TYR A 79 5.718 11.121 -6.822 1.00 0.00 C +ATOM 1308 HE2 TYR A 79 6.737 11.095 -6.465 1.00 0.00 H +ATOM 1309 CD2 TYR A 79 5.511 11.380 -8.232 1.00 0.00 C +ATOM 1310 HD2 TYR A 79 6.322 11.634 -8.899 1.00 0.00 H +ATOM 1311 C TYR A 79 4.491 11.977 -12.544 1.00 0.00 C +ATOM 1312 O TYR A 79 3.900 12.861 -13.155 1.00 0.00 O +ATOM 1313 N ILE A 80 4.671 10.814 -13.094 1.00 0.00 N +ATOM 1314 H ILE A 80 5.171 10.098 -12.587 1.00 0.00 H +ATOM 1315 CA ILE A 80 4.080 10.351 -14.343 1.00 0.00 C +ATOM 1316 HA ILE A 80 3.160 10.893 -14.559 1.00 0.00 H +ATOM 1317 CB ILE A 80 5.132 10.662 -15.509 1.00 0.00 C +ATOM 1318 HB ILE A 80 6.043 10.186 -15.144 1.00 0.00 H +ATOM 1319 CG2 ILE A 80 4.622 9.905 -16.804 1.00 0.00 C +ATOM 1320 HG21 ILE A 80 5.389 10.009 -17.572 1.00 0.00 H +ATOM 1321 HG22 ILE A 80 4.363 8.854 -16.676 1.00 0.00 H +ATOM 1322 HG23 ILE A 80 3.811 10.526 -17.184 1.00 0.00 H +ATOM 1323 CG1 ILE A 80 5.547 12.103 -15.754 1.00 0.00 C +ATOM 1324 HG12 ILE A 80 4.656 12.724 -15.838 1.00 0.00 H +ATOM 1325 HG13 ILE A 80 6.217 12.393 -14.944 1.00 0.00 H +ATOM 1326 CD1 ILE A 80 6.505 12.451 -16.998 1.00 0.00 C +ATOM 1327 HD11 ILE A 80 7.459 11.929 -16.915 1.00 0.00 H +ATOM 1328 HD12 ILE A 80 6.010 12.270 -17.952 1.00 0.00 H +ATOM 1329 HD13 ILE A 80 6.874 13.476 -17.043 1.00 0.00 H +ATOM 1330 C ILE A 80 3.788 8.805 -14.210 1.00 0.00 C +ATOM 1331 O ILE A 80 4.645 7.921 -13.824 1.00 0.00 O +ATOM 1332 N ILE A 81 2.493 8.448 -14.459 1.00 0.00 N +ATOM 1333 H ILE A 81 1.868 9.097 -14.914 1.00 0.00 H +ATOM 1334 CA ILE A 81 1.947 7.161 -13.971 1.00 0.00 C +ATOM 1335 HA ILE A 81 2.691 6.618 -13.389 1.00 0.00 H +ATOM 1336 CB ILE A 81 0.836 7.544 -12.959 1.00 0.00 C +ATOM 1337 HB ILE A 81 0.156 8.182 -13.524 1.00 0.00 H +ATOM 1338 CG2 ILE A 81 0.100 6.236 -12.519 1.00 0.00 C +ATOM 1339 HG21 ILE A 81 0.884 5.657 -12.032 1.00 0.00 H +ATOM 1340 HG22 ILE A 81 -0.643 6.434 -11.746 1.00 0.00 H +ATOM 1341 HG23 ILE A 81 -0.307 5.712 -13.384 1.00 0.00 H +ATOM 1342 CG1 ILE A 81 1.253 8.408 -11.743 1.00 0.00 C +ATOM 1343 HG12 ILE A 81 0.871 7.939 -10.836 1.00 0.00 H +ATOM 1344 HG13 ILE A 81 2.331 8.279 -11.645 1.00 0.00 H +ATOM 1345 CD1 ILE A 81 0.926 9.939 -11.616 1.00 0.00 C +ATOM 1346 HD11 ILE A 81 -0.124 10.094 -11.865 1.00 0.00 H +ATOM 1347 HD12 ILE A 81 1.205 10.320 -10.633 1.00 0.00 H +ATOM 1348 HD13 ILE A 81 1.618 10.507 -12.238 1.00 0.00 H +ATOM 1349 C ILE A 81 1.412 6.317 -15.176 1.00 0.00 C +ATOM 1350 O ILE A 81 0.280 6.553 -15.720 1.00 0.00 O +ATOM 1351 N THR A 82 2.232 5.319 -15.513 1.00 0.00 N +ATOM 1352 H THR A 82 2.972 5.152 -14.847 1.00 0.00 H +ATOM 1353 CA THR A 82 1.797 4.311 -16.498 1.00 0.00 C +ATOM 1354 HA THR A 82 1.005 4.738 -17.114 1.00 0.00 H +ATOM 1355 CB THR A 82 2.947 4.097 -17.465 1.00 0.00 C +ATOM 1356 HB THR A 82 2.608 3.384 -18.216 1.00 0.00 H +ATOM 1357 CG2 THR A 82 3.547 5.338 -18.115 1.00 0.00 C +ATOM 1358 HG21 THR A 82 2.690 5.852 -18.550 1.00 0.00 H +ATOM 1359 HG22 THR A 82 4.061 5.966 -17.387 1.00 0.00 H +ATOM 1360 HG23 THR A 82 4.218 4.969 -18.891 1.00 0.00 H +ATOM 1361 OG1 THR A 82 4.044 3.443 -16.777 1.00 0.00 O +ATOM 1362 HG1 THR A 82 3.976 3.916 -15.944 1.00 0.00 H +ATOM 1363 C THR A 82 1.184 3.052 -15.862 1.00 0.00 C +ATOM 1364 O THR A 82 1.274 2.940 -14.652 1.00 0.00 O +ATOM 1365 N GLU A 83 0.608 2.277 -16.738 1.00 0.00 N +ATOM 1366 H GLU A 83 0.737 2.543 -17.704 1.00 0.00 H +ATOM 1367 CA GLU A 83 0.095 0.962 -16.442 1.00 0.00 C +ATOM 1368 HA GLU A 83 -0.806 1.141 -15.855 1.00 0.00 H +ATOM 1369 CB GLU A 83 -0.408 0.377 -17.771 1.00 0.00 C +ATOM 1370 HB2 GLU A 83 -0.952 -0.550 -17.593 1.00 0.00 H +ATOM 1371 HB3 GLU A 83 -1.096 1.083 -18.238 1.00 0.00 H +ATOM 1372 CG GLU A 83 0.747 -0.044 -18.736 1.00 0.00 C +ATOM 1373 HG2 GLU A 83 1.551 0.685 -18.630 1.00 0.00 H +ATOM 1374 HG3 GLU A 83 1.309 -0.858 -18.278 1.00 0.00 H +ATOM 1375 CD GLU A 83 0.304 -0.400 -20.083 1.00 0.00 C +ATOM 1376 OE1 GLU A 83 0.919 0.013 -21.070 1.00 0.00 O +ATOM 1377 OE2 GLU A 83 -0.686 -1.163 -20.163 1.00 0.00 O +ATOM 1378 C GLU A 83 1.132 -0.004 -15.760 1.00 0.00 C +ATOM 1379 O GLU A 83 2.313 0.247 -15.641 1.00 0.00 O +ATOM 1380 N PHE A 84 0.660 -1.160 -15.287 1.00 0.00 N +ATOM 1381 H PHE A 84 -0.326 -1.326 -15.433 1.00 0.00 H +ATOM 1382 CA PHE A 84 1.522 -2.270 -14.873 1.00 0.00 C +ATOM 1383 HA PHE A 84 2.583 -2.095 -15.049 1.00 0.00 H +ATOM 1384 CB PHE A 84 1.371 -2.370 -13.338 1.00 0.00 C +ATOM 1385 HB2 PHE A 84 1.366 -1.384 -12.873 1.00 0.00 H +ATOM 1386 HB3 PHE A 84 0.434 -2.896 -13.153 1.00 0.00 H +ATOM 1387 CG PHE A 84 2.401 -3.161 -12.672 1.00 0.00 C +ATOM 1388 CD1 PHE A 84 3.634 -2.578 -12.371 1.00 0.00 C +ATOM 1389 HD1 PHE A 84 3.944 -1.594 -12.692 1.00 0.00 H +ATOM 1390 CE1 PHE A 84 4.589 -3.355 -11.619 1.00 0.00 C +ATOM 1391 HE1 PHE A 84 5.567 -2.956 -11.392 1.00 0.00 H +ATOM 1392 CZ PHE A 84 4.360 -4.605 -11.118 1.00 0.00 C +ATOM 1393 HZ PHE A 84 5.068 -5.128 -10.491 1.00 0.00 H +ATOM 1394 CE2 PHE A 84 3.059 -5.185 -11.412 1.00 0.00 C +ATOM 1395 HE2 PHE A 84 2.652 -6.064 -10.934 1.00 0.00 H +ATOM 1396 CD2 PHE A 84 2.094 -4.402 -12.099 1.00 0.00 C +ATOM 1397 HD2 PHE A 84 1.115 -4.789 -12.340 1.00 0.00 H +ATOM 1398 C PHE A 84 1.286 -3.501 -15.734 1.00 0.00 C +ATOM 1399 O PHE A 84 0.244 -3.632 -16.403 1.00 0.00 O +ATOM 1400 N MET A 85 2.337 -4.372 -15.756 1.00 0.00 N +ATOM 1401 H MET A 85 3.077 -4.146 -15.107 1.00 0.00 H +ATOM 1402 CA MET A 85 2.312 -5.608 -16.584 1.00 0.00 C +ATOM 1403 HA MET A 85 1.284 -5.956 -16.684 1.00 0.00 H +ATOM 1404 CB MET A 85 3.002 -5.524 -18.006 1.00 0.00 C +ATOM 1405 HB2 MET A 85 4.019 -5.157 -17.864 1.00 0.00 H +ATOM 1406 HB3 MET A 85 2.905 -6.475 -18.529 1.00 0.00 H +ATOM 1407 CG MET A 85 2.237 -4.601 -18.986 1.00 0.00 C +ATOM 1408 HG2 MET A 85 1.447 -5.215 -19.417 1.00 0.00 H +ATOM 1409 HG3 MET A 85 1.797 -3.726 -18.507 1.00 0.00 H +ATOM 1410 SD MET A 85 3.302 -3.980 -20.353 1.00 0.00 S +ATOM 1411 CE MET A 85 3.597 -5.499 -21.210 1.00 0.00 C +ATOM 1412 HE1 MET A 85 4.438 -5.288 -21.871 1.00 0.00 H +ATOM 1413 HE2 MET A 85 3.814 -6.303 -20.508 1.00 0.00 H +ATOM 1414 HE3 MET A 85 2.719 -5.717 -21.817 1.00 0.00 H +ATOM 1415 C MET A 85 3.061 -6.715 -15.929 1.00 0.00 C +ATOM 1416 O MET A 85 4.008 -6.497 -15.203 1.00 0.00 O +ATOM 1417 N THR A 86 2.488 -7.924 -16.087 1.00 0.00 N +ATOM 1418 H THR A 86 1.691 -8.013 -16.700 1.00 0.00 H +ATOM 1419 CA THR A 86 2.724 -8.978 -15.132 1.00 0.00 C +ATOM 1420 HA THR A 86 2.595 -8.506 -14.158 1.00 0.00 H +ATOM 1421 CB THR A 86 1.494 -9.904 -15.342 1.00 0.00 C +ATOM 1422 HB THR A 86 1.242 -10.076 -16.388 1.00 0.00 H +ATOM 1423 CG2 THR A 86 1.594 -11.272 -14.690 1.00 0.00 C +ATOM 1424 HG21 THR A 86 2.488 -11.761 -15.079 1.00 0.00 H +ATOM 1425 HG22 THR A 86 1.786 -11.218 -13.618 1.00 0.00 H +ATOM 1426 HG23 THR A 86 0.682 -11.798 -14.971 1.00 0.00 H +ATOM 1427 OG1 THR A 86 0.370 -9.267 -14.844 1.00 0.00 O +ATOM 1428 HG1 THR A 86 -0.331 -9.912 -14.727 1.00 0.00 H +ATOM 1429 C THR A 86 4.072 -9.681 -15.193 1.00 0.00 C +ATOM 1430 O THR A 86 4.360 -10.291 -14.150 1.00 0.00 O +ATOM 1431 N TYR A 87 4.873 -9.522 -16.257 1.00 0.00 N +ATOM 1432 H TYR A 87 4.576 -9.160 -17.152 1.00 0.00 H +ATOM 1433 CA TYR A 87 6.204 -10.160 -16.281 1.00 0.00 C +ATOM 1434 HA TYR A 87 6.418 -10.638 -15.325 1.00 0.00 H +ATOM 1435 CB TYR A 87 6.141 -11.207 -17.337 1.00 0.00 C +ATOM 1436 HB2 TYR A 87 6.068 -10.670 -18.283 1.00 0.00 H +ATOM 1437 HB3 TYR A 87 7.004 -11.871 -17.392 1.00 0.00 H +ATOM 1438 CG TYR A 87 5.002 -12.153 -17.376 1.00 0.00 C +ATOM 1439 CD1 TYR A 87 3.897 -12.125 -18.298 1.00 0.00 C +ATOM 1440 HD1 TYR A 87 3.975 -11.410 -19.104 1.00 0.00 H +ATOM 1441 CE1 TYR A 87 2.859 -13.091 -18.231 1.00 0.00 C +ATOM 1442 HE1 TYR A 87 2.124 -13.059 -19.022 1.00 0.00 H +ATOM 1443 CZ TYR A 87 2.842 -14.091 -17.222 1.00 0.00 C +ATOM 1444 OH TYR A 87 1.893 -15.072 -17.226 1.00 0.00 O +ATOM 1445 HH TYR A 87 1.174 -15.003 -17.858 1.00 0.00 H +ATOM 1446 CE2 TYR A 87 3.947 -14.113 -16.304 1.00 0.00 C +ATOM 1447 HE2 TYR A 87 4.019 -14.976 -15.659 1.00 0.00 H +ATOM 1448 CD2 TYR A 87 5.014 -13.215 -16.405 1.00 0.00 C +ATOM 1449 HD2 TYR A 87 5.861 -13.359 -15.750 1.00 0.00 H +ATOM 1450 C TYR A 87 7.389 -9.267 -16.457 1.00 0.00 C +ATOM 1451 O TYR A 87 8.465 -9.783 -16.728 1.00 0.00 O +ATOM 1452 N GLY A 88 7.283 -7.959 -16.143 1.00 0.00 N +ATOM 1453 H GLY A 88 6.352 -7.704 -15.849 1.00 0.00 H +ATOM 1454 CA GLY A 88 8.416 -7.104 -15.974 1.00 0.00 C +ATOM 1455 HA2 GLY A 88 8.155 -6.120 -15.586 1.00 0.00 H +ATOM 1456 HA3 GLY A 88 9.198 -7.424 -15.285 1.00 0.00 H +ATOM 1457 C GLY A 88 9.267 -6.878 -17.209 1.00 0.00 C +ATOM 1458 O GLY A 88 8.799 -7.042 -18.326 1.00 0.00 O +ATOM 1459 N ASN A 89 10.550 -6.441 -17.065 1.00 0.00 N +ATOM 1460 H ASN A 89 10.970 -6.409 -16.147 1.00 0.00 H +ATOM 1461 CA ASN A 89 11.277 -6.179 -18.323 1.00 0.00 C +ATOM 1462 HA ASN A 89 10.622 -5.617 -18.989 1.00 0.00 H +ATOM 1463 CB ASN A 89 12.524 -5.291 -18.032 1.00 0.00 C +ATOM 1464 HB2 ASN A 89 12.857 -4.711 -18.893 1.00 0.00 H +ATOM 1465 HB3 ASN A 89 12.140 -4.487 -17.404 1.00 0.00 H +ATOM 1466 CG ASN A 89 13.620 -6.063 -17.406 1.00 0.00 C +ATOM 1467 OD1 ASN A 89 14.377 -6.821 -18.013 1.00 0.00 O +ATOM 1468 ND2 ASN A 89 13.679 -5.943 -16.098 1.00 0.00 N +ATOM 1469 HD21 ASN A 89 14.132 -6.655 -15.543 1.00 0.00 H +ATOM 1470 HD22 ASN A 89 13.214 -5.155 -15.669 1.00 0.00 H +ATOM 1471 C ASN A 89 11.582 -7.536 -19.142 1.00 0.00 C +ATOM 1472 O ASN A 89 11.566 -8.614 -18.577 1.00 0.00 O +ATOM 1473 N LEU A 90 11.727 -7.347 -20.431 1.00 0.00 N +ATOM 1474 H LEU A 90 11.596 -6.406 -20.776 1.00 0.00 H +ATOM 1475 CA LEU A 90 11.889 -8.376 -21.508 1.00 0.00 C +ATOM 1476 HA LEU A 90 11.064 -9.076 -21.380 1.00 0.00 H +ATOM 1477 CB LEU A 90 11.769 -7.590 -22.823 1.00 0.00 C +ATOM 1478 HB2 LEU A 90 10.798 -7.138 -23.023 1.00 0.00 H +ATOM 1479 HB3 LEU A 90 12.645 -6.967 -23.003 1.00 0.00 H +ATOM 1480 CG LEU A 90 11.910 -8.566 -23.949 1.00 0.00 C +ATOM 1481 HG LEU A 90 12.763 -9.243 -23.900 1.00 0.00 H +ATOM 1482 CD1 LEU A 90 10.621 -9.309 -24.254 1.00 0.00 C +ATOM 1483 HD11 LEU A 90 9.735 -8.675 -24.302 1.00 0.00 H +ATOM 1484 HD12 LEU A 90 10.769 -9.927 -25.140 1.00 0.00 H +ATOM 1485 HD13 LEU A 90 10.416 -9.977 -23.418 1.00 0.00 H +ATOM 1486 CD2 LEU A 90 12.194 -7.737 -25.247 1.00 0.00 C +ATOM 1487 HD21 LEU A 90 13.107 -7.154 -25.125 1.00 0.00 H +ATOM 1488 HD22 LEU A 90 12.450 -8.125 -26.233 1.00 0.00 H +ATOM 1489 HD23 LEU A 90 11.361 -7.055 -25.419 1.00 0.00 H +ATOM 1490 C LEU A 90 13.238 -9.207 -21.275 1.00 0.00 C +ATOM 1491 O LEU A 90 13.350 -10.353 -21.539 1.00 0.00 O +ATOM 1492 N LEU A 91 14.279 -8.582 -20.752 1.00 0.00 N +ATOM 1493 H LEU A 91 14.155 -7.610 -20.504 1.00 0.00 H +ATOM 1494 CA LEU A 91 15.616 -9.197 -20.431 1.00 0.00 C +ATOM 1495 HA LEU A 91 15.947 -9.817 -21.263 1.00 0.00 H +ATOM 1496 CB LEU A 91 16.620 -8.044 -20.188 1.00 0.00 C +ATOM 1497 HB2 LEU A 91 16.528 -7.428 -21.083 1.00 0.00 H +ATOM 1498 HB3 LEU A 91 16.233 -7.385 -19.410 1.00 0.00 H +ATOM 1499 CG LEU A 91 18.049 -8.376 -19.898 1.00 0.00 C +ATOM 1500 HG LEU A 91 18.097 -8.684 -18.854 1.00 0.00 H +ATOM 1501 CD1 LEU A 91 18.675 -9.366 -20.870 1.00 0.00 C +ATOM 1502 HD11 LEU A 91 18.095 -10.285 -20.792 1.00 0.00 H +ATOM 1503 HD12 LEU A 91 18.639 -9.020 -21.904 1.00 0.00 H +ATOM 1504 HD13 LEU A 91 19.719 -9.583 -20.647 1.00 0.00 H +ATOM 1505 CD2 LEU A 91 18.790 -7.059 -19.994 1.00 0.00 C +ATOM 1506 HD21 LEU A 91 18.987 -6.846 -21.045 1.00 0.00 H +ATOM 1507 HD22 LEU A 91 18.268 -6.208 -19.557 1.00 0.00 H +ATOM 1508 HD23 LEU A 91 19.701 -7.261 -19.430 1.00 0.00 H +ATOM 1509 C LEU A 91 15.482 -10.180 -19.263 1.00 0.00 C +ATOM 1510 O LEU A 91 15.742 -11.365 -19.471 1.00 0.00 O +ATOM 1511 N ASP A 92 15.091 -9.743 -18.077 1.00 0.00 N +ATOM 1512 H ASP A 92 15.035 -8.736 -18.134 1.00 0.00 H +ATOM 1513 CA ASP A 92 14.677 -10.611 -17.022 1.00 0.00 C +ATOM 1514 HA ASP A 92 15.553 -11.075 -16.569 1.00 0.00 H +ATOM 1515 CB ASP A 92 14.095 -9.765 -15.929 1.00 0.00 C +ATOM 1516 HB2 ASP A 92 13.280 -9.264 -16.452 1.00 0.00 H +ATOM 1517 HB3 ASP A 92 13.685 -10.529 -15.269 1.00 0.00 H +ATOM 1518 CG ASP A 92 15.000 -8.762 -15.162 1.00 0.00 C +ATOM 1519 OD1 ASP A 92 16.262 -8.892 -15.264 1.00 0.00 O +ATOM 1520 OD2 ASP A 92 14.448 -7.854 -14.445 1.00 0.00 O +ATOM 1521 C ASP A 92 13.687 -11.671 -17.478 1.00 0.00 C +ATOM 1522 O ASP A 92 13.864 -12.825 -17.110 1.00 0.00 O +ATOM 1523 N TYR A 93 12.669 -11.409 -18.241 1.00 0.00 N +ATOM 1524 H TYR A 93 12.572 -10.411 -18.363 1.00 0.00 H +ATOM 1525 CA TYR A 93 11.575 -12.319 -18.614 1.00 0.00 C +ATOM 1526 HA TYR A 93 11.212 -12.659 -17.644 1.00 0.00 H +ATOM 1527 CB TYR A 93 10.533 -11.579 -19.432 1.00 0.00 C +ATOM 1528 HB2 TYR A 93 9.902 -11.025 -18.737 1.00 0.00 H +ATOM 1529 HB3 TYR A 93 11.050 -10.851 -20.057 1.00 0.00 H +ATOM 1530 CG TYR A 93 9.662 -12.528 -20.245 1.00 0.00 C +ATOM 1531 CD1 TYR A 93 8.652 -13.274 -19.571 1.00 0.00 C +ATOM 1532 HD1 TYR A 93 8.348 -12.959 -18.584 1.00 0.00 H +ATOM 1533 CE1 TYR A 93 7.895 -14.208 -20.253 1.00 0.00 C +ATOM 1534 HE1 TYR A 93 7.113 -14.717 -19.708 1.00 0.00 H +ATOM 1535 CZ TYR A 93 8.175 -14.519 -21.565 1.00 0.00 C +ATOM 1536 OH TYR A 93 7.432 -15.449 -22.168 1.00 0.00 O +ATOM 1537 HH TYR A 93 7.048 -16.122 -21.601 1.00 0.00 H +ATOM 1538 CE2 TYR A 93 9.248 -13.872 -22.237 1.00 0.00 C +ATOM 1539 HE2 TYR A 93 9.554 -14.198 -23.220 1.00 0.00 H +ATOM 1540 CD2 TYR A 93 9.995 -12.817 -21.576 1.00 0.00 C +ATOM 1541 HD2 TYR A 93 10.778 -12.291 -22.102 1.00 0.00 H +ATOM 1542 C TYR A 93 12.127 -13.485 -19.409 1.00 0.00 C +ATOM 1543 O TYR A 93 11.839 -14.641 -19.137 1.00 0.00 O +ATOM 1544 N LEU A 94 12.987 -13.130 -20.388 1.00 0.00 N +ATOM 1545 H LEU A 94 13.081 -12.142 -20.576 1.00 0.00 H +ATOM 1546 CA LEU A 94 13.765 -14.075 -21.168 1.00 0.00 C +ATOM 1547 HA LEU A 94 13.140 -14.853 -21.606 1.00 0.00 H +ATOM 1548 CB LEU A 94 14.567 -13.354 -22.291 1.00 0.00 C +ATOM 1549 HB2 LEU A 94 15.078 -12.484 -21.880 1.00 0.00 H +ATOM 1550 HB3 LEU A 94 15.325 -14.050 -22.652 1.00 0.00 H +ATOM 1551 CG LEU A 94 13.732 -12.889 -23.470 1.00 0.00 C +ATOM 1552 HG LEU A 94 12.860 -12.334 -23.121 1.00 0.00 H +ATOM 1553 CD1 LEU A 94 14.535 -11.872 -24.251 1.00 0.00 C +ATOM 1554 HD11 LEU A 94 13.922 -11.433 -25.038 1.00 0.00 H +ATOM 1555 HD12 LEU A 94 14.878 -11.111 -23.551 1.00 0.00 H +ATOM 1556 HD13 LEU A 94 15.387 -12.297 -24.781 1.00 0.00 H +ATOM 1557 CD2 LEU A 94 13.276 -13.961 -24.475 1.00 0.00 C +ATOM 1558 HD21 LEU A 94 13.979 -14.748 -24.750 1.00 0.00 H +ATOM 1559 HD22 LEU A 94 12.357 -14.444 -24.143 1.00 0.00 H +ATOM 1560 HD23 LEU A 94 12.908 -13.489 -25.385 1.00 0.00 H +ATOM 1561 C LEU A 94 14.744 -14.894 -20.247 1.00 0.00 C +ATOM 1562 O LEU A 94 14.899 -16.060 -20.449 1.00 0.00 O +ATOM 1563 N ARG A 95 15.356 -14.240 -19.284 1.00 0.00 N +ATOM 1564 H ARG A 95 15.136 -13.256 -19.232 1.00 0.00 H +ATOM 1565 CA ARG A 95 16.335 -14.845 -18.362 1.00 0.00 C +ATOM 1566 HA ARG A 95 16.960 -15.553 -18.906 1.00 0.00 H +ATOM 1567 CB ARG A 95 17.202 -13.790 -17.599 1.00 0.00 C +ATOM 1568 HB2 ARG A 95 16.540 -12.954 -17.373 1.00 0.00 H +ATOM 1569 HB3 ARG A 95 17.637 -14.193 -16.684 1.00 0.00 H +ATOM 1570 CG ARG A 95 18.311 -13.366 -18.513 1.00 0.00 C +ATOM 1571 HG2 ARG A 95 19.087 -14.127 -18.589 1.00 0.00 H +ATOM 1572 HG3 ARG A 95 18.036 -13.177 -19.550 1.00 0.00 H +ATOM 1573 CD ARG A 95 19.034 -12.168 -17.960 1.00 0.00 C +ATOM 1574 HD2 ARG A 95 18.281 -11.399 -17.791 1.00 0.00 H +ATOM 1575 HD3 ARG A 95 19.454 -12.472 -17.001 1.00 0.00 H +ATOM 1576 NE ARG A 95 20.161 -11.785 -18.798 1.00 0.00 N +ATOM 1577 HE ARG A 95 20.424 -12.373 -19.576 1.00 0.00 H +ATOM 1578 CZ ARG A 95 20.891 -10.645 -18.667 1.00 0.00 C +ATOM 1579 NH1 ARG A 95 20.643 -9.651 -17.912 1.00 0.00 N +ATOM 1580 HH11 ARG A 95 19.833 -9.608 -17.310 1.00 0.00 H +ATOM 1581 HH12 ARG A 95 21.290 -8.877 -17.965 1.00 0.00 H +ATOM 1582 NH2 ARG A 95 22.026 -10.571 -19.267 1.00 0.00 N +ATOM 1583 HH21 ARG A 95 22.104 -11.354 -19.900 1.00 0.00 H +ATOM 1584 HH22 ARG A 95 22.745 -9.932 -18.958 1.00 0.00 H +ATOM 1585 C ARG A 95 15.641 -15.875 -17.422 1.00 0.00 C +ATOM 1586 O ARG A 95 16.295 -16.806 -16.962 1.00 0.00 O +ATOM 1587 N GLU A 96 14.385 -15.693 -17.140 1.00 0.00 N +ATOM 1588 H GLU A 96 13.947 -14.850 -17.483 1.00 0.00 H +ATOM 1589 CA GLU A 96 13.515 -16.484 -16.238 1.00 0.00 C +ATOM 1590 HA GLU A 96 14.171 -17.162 -15.693 1.00 0.00 H +ATOM 1591 CB GLU A 96 12.803 -15.555 -15.250 1.00 0.00 C +ATOM 1592 HB2 GLU A 96 12.140 -14.850 -15.751 1.00 0.00 H +ATOM 1593 HB3 GLU A 96 12.183 -16.171 -14.598 1.00 0.00 H +ATOM 1594 CG GLU A 96 13.711 -14.787 -14.311 1.00 0.00 C +ATOM 1595 HG2 GLU A 96 14.238 -14.079 -14.951 1.00 0.00 H +ATOM 1596 HG3 GLU A 96 12.986 -14.223 -13.725 1.00 0.00 H +ATOM 1597 CD GLU A 96 14.684 -15.601 -13.508 1.00 0.00 C +ATOM 1598 OE1 GLU A 96 15.756 -15.077 -13.185 1.00 0.00 O +ATOM 1599 OE2 GLU A 96 14.430 -16.779 -13.083 1.00 0.00 O +ATOM 1600 C GLU A 96 12.540 -17.515 -16.838 1.00 0.00 C +ATOM 1601 O GLU A 96 12.216 -18.463 -16.154 1.00 0.00 O +ATOM 1602 N CYS A 97 12.185 -17.381 -18.101 1.00 0.00 N +ATOM 1603 H CYS A 97 12.476 -16.576 -18.637 1.00 0.00 H +ATOM 1604 CA CYS A 97 11.120 -18.250 -18.649 1.00 0.00 C +ATOM 1605 HA CYS A 97 10.324 -18.340 -17.909 1.00 0.00 H +ATOM 1606 CB CYS A 97 10.619 -17.485 -19.922 1.00 0.00 C +ATOM 1607 HB2 CYS A 97 9.663 -17.946 -20.167 1.00 0.00 H +ATOM 1608 HB3 CYS A 97 10.538 -16.421 -19.696 1.00 0.00 H +ATOM 1609 SG CYS A 97 11.732 -17.803 -21.274 1.00 0.00 S +ATOM 1610 HG CYS A 97 12.739 -17.126 -20.714 1.00 0.00 H +ATOM 1611 C CYS A 97 11.649 -19.650 -19.037 1.00 0.00 C +ATOM 1612 O CYS A 97 12.854 -19.957 -19.055 1.00 0.00 O +ATOM 1613 N ASN A 98 10.665 -20.437 -19.476 1.00 0.00 N +ATOM 1614 H ASN A 98 9.734 -20.096 -19.284 1.00 0.00 H +ATOM 1615 CA ASN A 98 10.689 -21.800 -19.962 1.00 0.00 C +ATOM 1616 HA ASN A 98 11.561 -22.337 -19.589 1.00 0.00 H +ATOM 1617 CB ASN A 98 9.406 -22.535 -19.455 1.00 0.00 C +ATOM 1618 HB2 ASN A 98 9.294 -22.673 -18.380 1.00 0.00 H +ATOM 1619 HB3 ASN A 98 8.586 -21.930 -19.842 1.00 0.00 H +ATOM 1620 CG ASN A 98 9.195 -23.911 -20.055 1.00 0.00 C +ATOM 1621 OD1 ASN A 98 10.051 -24.390 -20.757 1.00 0.00 O +ATOM 1622 ND2 ASN A 98 8.020 -24.379 -19.946 1.00 0.00 N +ATOM 1623 HD21 ASN A 98 7.800 -25.296 -20.307 1.00 0.00 H +ATOM 1624 HD22 ASN A 98 7.462 -23.893 -19.258 1.00 0.00 H +ATOM 1625 C ASN A 98 10.786 -21.799 -21.494 1.00 0.00 C +ATOM 1626 O ASN A 98 9.808 -21.506 -22.176 1.00 0.00 O +ATOM 1627 N ARG A 99 11.878 -22.226 -22.076 1.00 0.00 N +ATOM 1628 H ARG A 99 12.579 -22.415 -21.374 1.00 0.00 H +ATOM 1629 CA ARG A 99 12.188 -22.051 -23.460 1.00 0.00 C +ATOM 1630 HA ARG A 99 11.817 -21.071 -23.760 1.00 0.00 H +ATOM 1631 CB ARG A 99 13.774 -22.138 -23.545 1.00 0.00 C +ATOM 1632 HB2 ARG A 99 14.179 -23.129 -23.338 1.00 0.00 H +ATOM 1633 HB3 ARG A 99 14.076 -21.942 -24.573 1.00 0.00 H +ATOM 1634 CG ARG A 99 14.424 -21.100 -22.617 1.00 0.00 C +ATOM 1635 HG2 ARG A 99 13.830 -20.192 -22.715 1.00 0.00 H +ATOM 1636 HG3 ARG A 99 14.380 -21.429 -21.578 1.00 0.00 H +ATOM 1637 CD ARG A 99 15.889 -21.018 -22.934 1.00 0.00 C +ATOM 1638 HD2 ARG A 99 16.438 -21.959 -22.958 1.00 0.00 H +ATOM 1639 HD3 ARG A 99 15.924 -20.498 -23.891 1.00 0.00 H +ATOM 1640 NE ARG A 99 16.702 -20.192 -22.015 1.00 0.00 N +ATOM 1641 HE ARG A 99 16.306 -19.835 -21.157 1.00 0.00 H +ATOM 1642 CZ ARG A 99 18.037 -20.042 -22.075 1.00 0.00 C +ATOM 1643 NH1 ARG A 99 18.753 -20.402 -23.083 1.00 0.00 N +ATOM 1644 HH11 ARG A 99 18.360 -20.918 -23.858 1.00 0.00 H +ATOM 1645 HH12 ARG A 99 19.754 -20.271 -23.070 1.00 0.00 H +ATOM 1646 NH2 ARG A 99 18.653 -19.377 -21.163 1.00 0.00 N +ATOM 1647 HH21 ARG A 99 18.103 -18.968 -20.422 1.00 0.00 H +ATOM 1648 HH22 ARG A 99 19.650 -19.257 -21.271 1.00 0.00 H +ATOM 1649 C ARG A 99 11.363 -23.054 -24.302 1.00 0.00 C +ATOM 1650 O ARG A 99 11.273 -22.772 -25.485 1.00 0.00 O +ATOM 1651 N GLN A 100 10.754 -24.063 -23.654 1.00 0.00 N +ATOM 1652 H GLN A 100 10.816 -24.106 -22.646 1.00 0.00 H +ATOM 1653 CA GLN A 100 9.717 -24.891 -24.289 1.00 0.00 C +ATOM 1654 HA GLN A 100 10.171 -24.947 -25.278 1.00 0.00 H +ATOM 1655 CB GLN A 100 9.627 -26.268 -23.690 1.00 0.00 C +ATOM 1656 HB2 GLN A 100 9.057 -26.109 -22.775 1.00 0.00 H +ATOM 1657 HB3 GLN A 100 8.937 -26.874 -24.277 1.00 0.00 H +ATOM 1658 CG GLN A 100 10.900 -27.105 -23.454 1.00 0.00 C +ATOM 1659 HG2 GLN A 100 11.587 -26.831 -24.254 1.00 0.00 H +ATOM 1660 HG3 GLN A 100 11.376 -26.716 -22.554 1.00 0.00 H +ATOM 1661 CD GLN A 100 10.741 -28.623 -23.649 1.00 0.00 C +ATOM 1662 OE1 GLN A 100 9.703 -29.218 -23.302 1.00 0.00 O +ATOM 1663 NE2 GLN A 100 11.602 -29.203 -24.438 1.00 0.00 N +ATOM 1664 HE21 GLN A 100 11.537 -30.207 -24.528 1.00 0.00 H +ATOM 1665 HE22 GLN A 100 12.229 -28.645 -25.001 1.00 0.00 H +ATOM 1666 C GLN A 100 8.426 -24.152 -24.555 1.00 0.00 C +ATOM 1667 O GLN A 100 8.084 -23.869 -25.690 1.00 0.00 O +ATOM 1668 N GLU A 101 7.835 -23.638 -23.493 1.00 0.00 N +ATOM 1669 H GLU A 101 8.190 -23.858 -22.573 1.00 0.00 H +ATOM 1670 CA GLU A 101 6.683 -22.706 -23.609 1.00 0.00 C +ATOM 1671 HA GLU A 101 5.815 -23.291 -23.910 1.00 0.00 H +ATOM 1672 CB GLU A 101 6.203 -22.226 -22.197 1.00 0.00 C +ATOM 1673 HB2 GLU A 101 5.835 -23.073 -21.619 1.00 0.00 H +ATOM 1674 HB3 GLU A 101 7.011 -21.844 -21.573 1.00 0.00 H +ATOM 1675 CG GLU A 101 5.012 -21.175 -22.190 1.00 0.00 C +ATOM 1676 HG2 GLU A 101 5.132 -20.502 -23.040 1.00 0.00 H +ATOM 1677 HG3 GLU A 101 4.044 -21.673 -22.252 1.00 0.00 H +ATOM 1678 CD GLU A 101 4.979 -20.195 -20.997 1.00 0.00 C +ATOM 1679 OE1 GLU A 101 5.452 -20.624 -19.930 1.00 0.00 O +ATOM 1680 OE2 GLU A 101 4.458 -19.033 -21.105 1.00 0.00 O +ATOM 1681 C GLU A 101 7.016 -21.506 -24.520 1.00 0.00 C +ATOM 1682 O GLU A 101 6.180 -21.128 -25.350 1.00 0.00 O +ATOM 1683 N VAL A 102 8.185 -20.884 -24.432 1.00 0.00 N +ATOM 1684 H VAL A 102 8.701 -21.272 -23.655 1.00 0.00 H +ATOM 1685 CA VAL A 102 8.670 -19.762 -25.145 1.00 0.00 C +ATOM 1686 HA VAL A 102 7.857 -19.261 -25.671 1.00 0.00 H +ATOM 1687 CB VAL A 102 9.339 -18.757 -24.234 1.00 0.00 C +ATOM 1688 HB VAL A 102 10.217 -19.254 -23.819 1.00 0.00 H +ATOM 1689 CG1 VAL A 102 9.721 -17.405 -24.907 1.00 0.00 C +ATOM 1690 HG11 VAL A 102 10.381 -16.896 -24.205 1.00 0.00 H +ATOM 1691 HG12 VAL A 102 10.209 -17.560 -25.869 1.00 0.00 H +ATOM 1692 HG13 VAL A 102 8.809 -16.832 -25.078 1.00 0.00 H +ATOM 1693 CG2 VAL A 102 8.542 -18.391 -23.031 1.00 0.00 C +ATOM 1694 HG21 VAL A 102 8.397 -19.289 -22.430 1.00 0.00 H +ATOM 1695 HG22 VAL A 102 9.031 -17.756 -22.293 1.00 0.00 H +ATOM 1696 HG23 VAL A 102 7.491 -18.180 -23.232 1.00 0.00 H +ATOM 1697 C VAL A 102 9.621 -20.117 -26.295 1.00 0.00 C +ATOM 1698 O VAL A 102 10.771 -19.710 -26.398 1.00 0.00 O +ATOM 1699 N ASN A 103 9.153 -20.991 -27.184 1.00 0.00 N +ATOM 1700 H ASN A 103 8.216 -21.335 -27.033 1.00 0.00 H +ATOM 1701 CA ASN A 103 9.851 -21.377 -28.405 1.00 0.00 C +ATOM 1702 HA ASN A 103 10.912 -21.571 -28.246 1.00 0.00 H +ATOM 1703 CB ASN A 103 9.292 -22.755 -28.886 1.00 0.00 C +ATOM 1704 HB2 ASN A 103 9.894 -23.251 -29.647 1.00 0.00 H +ATOM 1705 HB3 ASN A 103 9.323 -23.463 -28.057 1.00 0.00 H +ATOM 1706 CG ASN A 103 7.859 -22.649 -29.392 1.00 0.00 C +ATOM 1707 OD1 ASN A 103 7.650 -22.200 -30.508 1.00 0.00 O +ATOM 1708 ND2 ASN A 103 6.832 -23.058 -28.590 1.00 0.00 N +ATOM 1709 HD21 ASN A 103 5.909 -23.126 -28.994 1.00 0.00 H +ATOM 1710 HD22 ASN A 103 6.982 -23.280 -27.616 1.00 0.00 H +ATOM 1711 C ASN A 103 9.781 -20.241 -29.445 1.00 0.00 C +ATOM 1712 O ASN A 103 9.264 -19.156 -29.145 1.00 0.00 O +ATOM 1713 N ALA A 104 10.240 -20.607 -30.674 1.00 0.00 N +ATOM 1714 H ALA A 104 10.589 -21.542 -30.829 1.00 0.00 H +ATOM 1715 CA ALA A 104 10.330 -19.861 -31.907 1.00 0.00 C +ATOM 1716 HA ALA A 104 11.111 -19.110 -31.787 1.00 0.00 H +ATOM 1717 CB ALA A 104 10.687 -20.688 -33.151 1.00 0.00 C +ATOM 1718 HB1 ALA A 104 11.657 -21.113 -32.895 1.00 0.00 H +ATOM 1719 HB2 ALA A 104 9.907 -21.422 -33.355 1.00 0.00 H +ATOM 1720 HB3 ALA A 104 10.858 -20.048 -34.017 1.00 0.00 H +ATOM 1721 C ALA A 104 9.106 -18.948 -32.142 1.00 0.00 C +ATOM 1722 O ALA A 104 9.224 -17.777 -32.564 1.00 0.00 O +ATOM 1723 N VAL A 105 7.904 -19.509 -31.990 1.00 0.00 N +ATOM 1724 H VAL A 105 7.838 -20.470 -31.687 1.00 0.00 H +ATOM 1725 CA VAL A 105 6.578 -18.841 -32.286 1.00 0.00 C +ATOM 1726 HA VAL A 105 6.646 -18.372 -33.268 1.00 0.00 H +ATOM 1727 CB VAL A 105 5.471 -19.864 -32.073 1.00 0.00 C +ATOM 1728 HB VAL A 105 5.502 -20.256 -31.057 1.00 0.00 H +ATOM 1729 CG1 VAL A 105 4.117 -19.156 -32.388 1.00 0.00 C +ATOM 1730 HG11 VAL A 105 4.254 -18.700 -33.368 1.00 0.00 H +ATOM 1731 HG12 VAL A 105 3.398 -19.975 -32.395 1.00 0.00 H +ATOM 1732 HG13 VAL A 105 3.834 -18.317 -31.752 1.00 0.00 H +ATOM 1733 CG2 VAL A 105 5.566 -20.927 -33.101 1.00 0.00 C +ATOM 1734 HG21 VAL A 105 4.769 -21.671 -33.087 1.00 0.00 H +ATOM 1735 HG22 VAL A 105 5.355 -20.465 -34.066 1.00 0.00 H +ATOM 1736 HG23 VAL A 105 6.450 -21.558 -33.021 1.00 0.00 H +ATOM 1737 C VAL A 105 6.399 -17.647 -31.366 1.00 0.00 C +ATOM 1738 O VAL A 105 6.233 -16.482 -31.817 1.00 0.00 O +ATOM 1739 N VAL A 106 6.419 -17.902 -30.033 1.00 0.00 N +ATOM 1740 H VAL A 106 6.543 -18.872 -29.780 1.00 0.00 H +ATOM 1741 CA VAL A 106 6.336 -16.809 -29.062 1.00 0.00 C +ATOM 1742 HA VAL A 106 5.373 -16.307 -29.157 1.00 0.00 H +ATOM 1743 CB VAL A 106 6.357 -17.242 -27.571 1.00 0.00 C +ATOM 1744 HB VAL A 106 7.268 -17.823 -27.434 1.00 0.00 H +ATOM 1745 CG1 VAL A 106 6.470 -16.064 -26.578 1.00 0.00 C +ATOM 1746 HG11 VAL A 106 5.634 -15.389 -26.763 1.00 0.00 H +ATOM 1747 HG12 VAL A 106 6.410 -16.440 -25.556 1.00 0.00 H +ATOM 1748 HG13 VAL A 106 7.456 -15.605 -26.650 1.00 0.00 H +ATOM 1749 CG2 VAL A 106 5.130 -18.127 -27.179 1.00 0.00 C +ATOM 1750 HG21 VAL A 106 4.862 -18.832 -27.967 1.00 0.00 H +ATOM 1751 HG22 VAL A 106 5.235 -18.696 -26.256 1.00 0.00 H +ATOM 1752 HG23 VAL A 106 4.253 -17.512 -26.973 1.00 0.00 H +ATOM 1753 C VAL A 106 7.432 -15.792 -29.283 1.00 0.00 C +ATOM 1754 O VAL A 106 7.079 -14.603 -29.307 1.00 0.00 O +ATOM 1755 N LEU A 107 8.679 -16.149 -29.714 1.00 0.00 N +ATOM 1756 H LEU A 107 8.867 -17.129 -29.869 1.00 0.00 H +ATOM 1757 CA LEU A 107 9.732 -15.177 -30.163 1.00 0.00 C +ATOM 1758 HA LEU A 107 9.810 -14.562 -29.267 1.00 0.00 H +ATOM 1759 CB LEU A 107 11.067 -15.888 -30.421 1.00 0.00 C +ATOM 1760 HB2 LEU A 107 10.926 -16.509 -31.306 1.00 0.00 H +ATOM 1761 HB3 LEU A 107 11.784 -15.178 -30.831 1.00 0.00 H +ATOM 1762 CG LEU A 107 11.714 -16.562 -29.217 1.00 0.00 C +ATOM 1763 HG LEU A 107 11.188 -17.511 -29.110 1.00 0.00 H +ATOM 1764 CD1 LEU A 107 13.201 -16.876 -29.457 1.00 0.00 C +ATOM 1765 HD11 LEU A 107 13.543 -17.365 -28.545 1.00 0.00 H +ATOM 1766 HD12 LEU A 107 13.311 -17.362 -30.427 1.00 0.00 H +ATOM 1767 HD13 LEU A 107 13.824 -15.983 -29.481 1.00 0.00 H +ATOM 1768 CD2 LEU A 107 11.593 -15.779 -27.952 1.00 0.00 C +ATOM 1769 HD21 LEU A 107 12.209 -16.178 -27.146 1.00 0.00 H +ATOM 1770 HD22 LEU A 107 11.782 -14.717 -28.107 1.00 0.00 H +ATOM 1771 HD23 LEU A 107 10.534 -15.872 -27.714 1.00 0.00 H +ATOM 1772 C LEU A 107 9.338 -14.283 -31.316 1.00 0.00 C +ATOM 1773 O LEU A 107 9.470 -13.048 -31.202 1.00 0.00 O +ATOM 1774 N LEU A 108 8.722 -14.870 -32.325 1.00 0.00 N +ATOM 1775 H LEU A 108 8.355 -15.811 -32.338 1.00 0.00 H +ATOM 1776 CA LEU A 108 8.303 -14.004 -33.465 1.00 0.00 C +ATOM 1777 HA LEU A 108 9.166 -13.359 -33.629 1.00 0.00 H +ATOM 1778 CB LEU A 108 8.115 -14.817 -34.724 1.00 0.00 C +ATOM 1779 HB2 LEU A 108 7.289 -15.501 -34.530 1.00 0.00 H +ATOM 1780 HB3 LEU A 108 7.892 -14.055 -35.471 1.00 0.00 H +ATOM 1781 CG LEU A 108 9.299 -15.629 -35.329 1.00 0.00 C +ATOM 1782 HG LEU A 108 9.548 -16.435 -34.638 1.00 0.00 H +ATOM 1783 CD1 LEU A 108 9.017 -16.160 -36.779 1.00 0.00 C +ATOM 1784 HD11 LEU A 108 8.144 -16.811 -36.732 1.00 0.00 H +ATOM 1785 HD12 LEU A 108 8.931 -15.368 -37.523 1.00 0.00 H +ATOM 1786 HD13 LEU A 108 9.842 -16.826 -37.035 1.00 0.00 H +ATOM 1787 CD2 LEU A 108 10.642 -14.802 -35.366 1.00 0.00 C +ATOM 1788 HD21 LEU A 108 11.536 -15.353 -35.660 1.00 0.00 H +ATOM 1789 HD22 LEU A 108 10.513 -14.089 -36.181 1.00 0.00 H +ATOM 1790 HD23 LEU A 108 10.838 -14.260 -34.441 1.00 0.00 H +ATOM 1791 C LEU A 108 7.032 -13.111 -33.183 1.00 0.00 C +ATOM 1792 O LEU A 108 6.917 -12.002 -33.760 1.00 0.00 O +ATOM 1793 N TYR A 109 6.191 -13.659 -32.334 1.00 0.00 N +ATOM 1794 H TYR A 109 6.365 -14.559 -31.910 1.00 0.00 H +ATOM 1795 CA TYR A 109 5.054 -12.833 -31.791 1.00 0.00 C +ATOM 1796 HA TYR A 109 4.621 -12.432 -32.708 1.00 0.00 H +ATOM 1797 CB TYR A 109 4.076 -13.693 -31.026 1.00 0.00 C +ATOM 1798 HB2 TYR A 109 3.748 -14.556 -31.605 1.00 0.00 H +ATOM 1799 HB3 TYR A 109 4.607 -14.046 -30.142 1.00 0.00 H +ATOM 1800 CG TYR A 109 2.902 -12.952 -30.396 1.00 0.00 C +ATOM 1801 CD1 TYR A 109 2.035 -12.150 -31.111 1.00 0.00 C +ATOM 1802 HD1 TYR A 109 2.221 -11.972 -32.159 1.00 0.00 H +ATOM 1803 CE1 TYR A 109 0.892 -11.620 -30.483 1.00 0.00 C +ATOM 1804 HE1 TYR A 109 0.267 -10.956 -31.062 1.00 0.00 H +ATOM 1805 CZ TYR A 109 0.611 -11.945 -29.115 1.00 0.00 C +ATOM 1806 OH TYR A 109 -0.622 -11.623 -28.561 1.00 0.00 O +ATOM 1807 HH TYR A 109 -0.731 -11.720 -27.612 1.00 0.00 H +ATOM 1808 CE2 TYR A 109 1.522 -12.756 -28.352 1.00 0.00 C +ATOM 1809 HE2 TYR A 109 1.443 -12.818 -27.277 1.00 0.00 H +ATOM 1810 CD2 TYR A 109 2.657 -13.258 -29.035 1.00 0.00 C +ATOM 1811 HD2 TYR A 109 3.282 -13.877 -28.409 1.00 0.00 H +ATOM 1812 C TYR A 109 5.518 -11.620 -30.991 1.00 0.00 C +ATOM 1813 O TYR A 109 4.926 -10.573 -31.082 1.00 0.00 O +ATOM 1814 N MET A 110 6.625 -11.743 -30.268 1.00 0.00 N +ATOM 1815 H MET A 110 7.190 -12.575 -30.179 1.00 0.00 H +ATOM 1816 CA MET A 110 7.280 -10.616 -29.602 1.00 0.00 C +ATOM 1817 HA MET A 110 6.497 -10.007 -29.150 1.00 0.00 H +ATOM 1818 CB MET A 110 8.202 -11.171 -28.522 1.00 0.00 C +ATOM 1819 HB2 MET A 110 8.963 -11.849 -28.908 1.00 0.00 H +ATOM 1820 HB3 MET A 110 8.690 -10.274 -28.141 1.00 0.00 H +ATOM 1821 CG MET A 110 7.492 -11.925 -27.325 1.00 0.00 C +ATOM 1822 HG2 MET A 110 6.449 -11.607 -27.322 1.00 0.00 H +ATOM 1823 HG3 MET A 110 7.659 -12.993 -27.466 1.00 0.00 H +ATOM 1824 SD MET A 110 8.247 -11.638 -25.714 1.00 0.00 S +ATOM 1825 CE MET A 110 7.012 -12.363 -24.697 1.00 0.00 C +ATOM 1826 HE1 MET A 110 6.082 -11.811 -24.836 1.00 0.00 H +ATOM 1827 HE2 MET A 110 6.852 -13.397 -25.002 1.00 0.00 H +ATOM 1828 HE3 MET A 110 7.365 -12.282 -23.669 1.00 0.00 H +ATOM 1829 C MET A 110 7.933 -9.725 -30.634 1.00 0.00 C +ATOM 1830 O MET A 110 7.683 -8.490 -30.612 1.00 0.00 O +ATOM 1831 N ALA A 111 8.701 -10.229 -31.499 1.00 0.00 N +ATOM 1832 H ALA A 111 9.015 -11.158 -31.256 1.00 0.00 H +ATOM 1833 CA ALA A 111 9.366 -9.560 -32.607 1.00 0.00 C +ATOM 1834 HA ALA A 111 10.086 -8.888 -32.140 1.00 0.00 H +ATOM 1835 CB ALA A 111 10.022 -10.569 -33.611 1.00 0.00 C +ATOM 1836 HB1 ALA A 111 9.332 -11.104 -34.263 1.00 0.00 H +ATOM 1837 HB2 ALA A 111 10.658 -9.966 -34.260 1.00 0.00 H +ATOM 1838 HB3 ALA A 111 10.641 -11.248 -33.024 1.00 0.00 H +ATOM 1839 C ALA A 111 8.431 -8.624 -33.413 1.00 0.00 C +ATOM 1840 O ALA A 111 8.705 -7.424 -33.489 1.00 0.00 O +ATOM 1841 N THR A 112 7.243 -9.118 -33.658 1.00 0.00 N +ATOM 1842 H THR A 112 7.098 -10.094 -33.441 1.00 0.00 H +ATOM 1843 CA THR A 112 6.157 -8.475 -34.396 1.00 0.00 C +ATOM 1844 HA THR A 112 6.665 -8.117 -35.292 1.00 0.00 H +ATOM 1845 CB THR A 112 5.090 -9.456 -34.749 1.00 0.00 C +ATOM 1846 HB THR A 112 4.702 -9.869 -33.818 1.00 0.00 H +ATOM 1847 CG2 THR A 112 3.887 -8.809 -35.447 1.00 0.00 C +ATOM 1848 HG21 THR A 112 4.158 -8.210 -36.316 1.00 0.00 H +ATOM 1849 HG22 THR A 112 3.165 -9.575 -35.729 1.00 0.00 H +ATOM 1850 HG23 THR A 112 3.397 -8.171 -34.711 1.00 0.00 H +ATOM 1851 OG1 THR A 112 5.540 -10.444 -35.627 1.00 0.00 O +ATOM 1852 HG1 THR A 112 6.211 -10.858 -35.079 1.00 0.00 H +ATOM 1853 C THR A 112 5.573 -7.312 -33.620 1.00 0.00 C +ATOM 1854 O THR A 112 5.356 -6.206 -34.225 1.00 0.00 O +ATOM 1855 N GLN A 113 5.258 -7.451 -32.289 1.00 0.00 N +ATOM 1856 H GLN A 113 5.345 -8.412 -31.991 1.00 0.00 H +ATOM 1857 CA GLN A 113 4.815 -6.444 -31.449 1.00 0.00 C +ATOM 1858 HA GLN A 113 3.890 -5.981 -31.790 1.00 0.00 H +ATOM 1859 CB GLN A 113 4.480 -7.114 -30.075 1.00 0.00 C +ATOM 1860 HB2 GLN A 113 5.285 -7.821 -29.876 1.00 0.00 H +ATOM 1861 HB3 GLN A 113 4.451 -6.413 -29.241 1.00 0.00 H +ATOM 1862 CG GLN A 113 3.157 -7.828 -30.226 1.00 0.00 C +ATOM 1863 HG2 GLN A 113 2.314 -7.143 -30.316 1.00 0.00 H +ATOM 1864 HG3 GLN A 113 3.155 -8.641 -30.953 1.00 0.00 H +ATOM 1865 CD GLN A 113 2.952 -8.571 -28.891 1.00 0.00 C +ATOM 1866 OE1 GLN A 113 2.544 -7.970 -27.929 1.00 0.00 O +ATOM 1867 NE2 GLN A 113 3.212 -9.894 -28.798 1.00 0.00 N +ATOM 1868 HE21 GLN A 113 3.130 -10.267 -27.864 1.00 0.00 H +ATOM 1869 HE22 GLN A 113 3.724 -10.404 -29.505 1.00 0.00 H +ATOM 1870 C GLN A 113 5.823 -5.326 -31.207 1.00 0.00 C +ATOM 1871 O GLN A 113 5.503 -4.116 -31.132 1.00 0.00 O +ATOM 1872 N ILE A 114 7.158 -5.680 -31.126 1.00 0.00 N +ATOM 1873 H ILE A 114 7.347 -6.640 -31.376 1.00 0.00 H +ATOM 1874 CA ILE A 114 8.259 -4.662 -30.960 1.00 0.00 C +ATOM 1875 HA ILE A 114 7.874 -3.984 -30.198 1.00 0.00 H +ATOM 1876 CB ILE A 114 9.592 -5.276 -30.400 1.00 0.00 C +ATOM 1877 HB ILE A 114 9.933 -5.986 -31.154 1.00 0.00 H +ATOM 1878 CG2 ILE A 114 10.668 -4.125 -30.159 1.00 0.00 C +ATOM 1879 HG21 ILE A 114 11.638 -4.606 -30.033 1.00 0.00 H +ATOM 1880 HG22 ILE A 114 10.706 -3.436 -31.002 1.00 0.00 H +ATOM 1881 HG23 ILE A 114 10.374 -3.528 -29.295 1.00 0.00 H +ATOM 1882 CG1 ILE A 114 9.443 -6.058 -29.066 1.00 0.00 C +ATOM 1883 HG12 ILE A 114 9.474 -5.426 -28.179 1.00 0.00 H +ATOM 1884 HG13 ILE A 114 8.468 -6.541 -28.999 1.00 0.00 H +ATOM 1885 CD1 ILE A 114 10.550 -7.132 -29.046 1.00 0.00 C +ATOM 1886 HD11 ILE A 114 10.469 -7.764 -29.930 1.00 0.00 H +ATOM 1887 HD12 ILE A 114 11.547 -6.694 -29.080 1.00 0.00 H +ATOM 1888 HD13 ILE A 114 10.433 -7.752 -28.156 1.00 0.00 H +ATOM 1889 C ILE A 114 8.419 -3.871 -32.285 1.00 0.00 C +ATOM 1890 O ILE A 114 8.727 -2.651 -32.253 1.00 0.00 O +ATOM 1891 N SER A 115 8.378 -4.524 -33.440 1.00 0.00 N +ATOM 1892 H SER A 115 8.279 -5.526 -33.353 1.00 0.00 H +ATOM 1893 CA SER A 115 8.541 -3.925 -34.761 1.00 0.00 C +ATOM 1894 HA SER A 115 9.443 -3.317 -34.698 1.00 0.00 H +ATOM 1895 CB SER A 115 8.818 -5.040 -35.817 1.00 0.00 C +ATOM 1896 HB2 SER A 115 9.104 -4.606 -36.775 1.00 0.00 H +ATOM 1897 HB3 SER A 115 9.611 -5.641 -35.372 1.00 0.00 H +ATOM 1898 OG SER A 115 7.630 -5.806 -35.942 1.00 0.00 O +ATOM 1899 HG SER A 115 6.795 -5.341 -36.042 1.00 0.00 H +ATOM 1900 C SER A 115 7.339 -3.093 -35.204 1.00 0.00 C +ATOM 1901 O SER A 115 7.596 -2.175 -35.987 1.00 0.00 O +ATOM 1902 N SER A 116 6.111 -3.324 -34.632 1.00 0.00 N +ATOM 1903 H SER A 116 5.991 -4.156 -34.071 1.00 0.00 H +ATOM 1904 CA SER A 116 4.973 -2.436 -34.703 1.00 0.00 C +ATOM 1905 HA SER A 116 4.899 -2.148 -35.752 1.00 0.00 H +ATOM 1906 CB SER A 116 3.648 -3.229 -34.362 1.00 0.00 C +ATOM 1907 HB2 SER A 116 3.417 -3.957 -35.140 1.00 0.00 H +ATOM 1908 HB3 SER A 116 3.816 -3.728 -33.408 1.00 0.00 H +ATOM 1909 OG SER A 116 2.493 -2.472 -34.228 1.00 0.00 O +ATOM 1910 HG SER A 116 2.156 -2.134 -35.061 1.00 0.00 H +ATOM 1911 C SER A 116 5.045 -1.173 -33.916 1.00 0.00 C +ATOM 1912 O SER A 116 4.610 -0.096 -34.395 1.00 0.00 O +ATOM 1913 N ALA A 117 5.585 -1.216 -32.658 1.00 0.00 N +ATOM 1914 H ALA A 117 5.828 -2.098 -32.231 1.00 0.00 H +ATOM 1915 CA ALA A 117 5.908 -0.034 -31.862 1.00 0.00 C +ATOM 1916 HA ALA A 117 4.979 0.531 -31.782 1.00 0.00 H +ATOM 1917 CB ALA A 117 6.297 -0.515 -30.526 1.00 0.00 C +ATOM 1918 HB1 ALA A 117 7.122 -1.223 -30.600 1.00 0.00 H +ATOM 1919 HB2 ALA A 117 6.577 0.380 -29.970 1.00 0.00 H +ATOM 1920 HB3 ALA A 117 5.446 -1.065 -30.125 1.00 0.00 H +ATOM 1921 C ALA A 117 6.959 0.930 -32.473 1.00 0.00 C +ATOM 1922 O ALA A 117 6.708 2.080 -32.715 1.00 0.00 O +ATOM 1923 N MET A 118 8.098 0.419 -32.970 1.00 0.00 N +ATOM 1924 H MET A 118 8.351 -0.476 -32.577 1.00 0.00 H +ATOM 1925 CA MET A 118 9.087 1.205 -33.832 1.00 0.00 C +ATOM 1926 HA MET A 118 9.299 2.138 -33.310 1.00 0.00 H +ATOM 1927 CB MET A 118 10.354 0.424 -34.004 1.00 0.00 C +ATOM 1928 HB2 MET A 118 10.181 -0.587 -34.373 1.00 0.00 H +ATOM 1929 HB3 MET A 118 10.924 0.946 -34.773 1.00 0.00 H +ATOM 1930 CG MET A 118 11.231 0.214 -32.763 1.00 0.00 C +ATOM 1931 HG2 MET A 118 10.828 -0.533 -32.079 1.00 0.00 H +ATOM 1932 HG3 MET A 118 12.211 -0.111 -33.112 1.00 0.00 H +ATOM 1933 SD MET A 118 11.489 1.695 -31.607 1.00 0.00 S +ATOM 1934 CE MET A 118 12.015 2.896 -32.831 1.00 0.00 C +ATOM 1935 HE1 MET A 118 11.339 2.961 -33.683 1.00 0.00 H +ATOM 1936 HE2 MET A 118 11.981 3.863 -32.331 1.00 0.00 H +ATOM 1937 HE3 MET A 118 13.007 2.735 -33.255 1.00 0.00 H +ATOM 1938 C MET A 118 8.570 1.616 -35.158 1.00 0.00 C +ATOM 1939 O MET A 118 8.908 2.724 -35.498 1.00 0.00 O +ATOM 1940 N GLU A 119 7.663 0.864 -35.848 1.00 0.00 N +ATOM 1941 H GLU A 119 7.462 -0.057 -35.487 1.00 0.00 H +ATOM 1942 CA GLU A 119 6.972 1.398 -37.037 1.00 0.00 C +ATOM 1943 HA GLU A 119 7.772 1.732 -37.699 1.00 0.00 H +ATOM 1944 CB GLU A 119 6.222 0.303 -37.809 1.00 0.00 C +ATOM 1945 HB2 GLU A 119 6.899 -0.456 -38.202 1.00 0.00 H +ATOM 1946 HB3 GLU A 119 5.651 -0.293 -37.096 1.00 0.00 H +ATOM 1947 CG GLU A 119 5.360 0.881 -38.957 1.00 0.00 C +ATOM 1948 HG2 GLU A 119 4.808 1.740 -38.576 1.00 0.00 H +ATOM 1949 HG3 GLU A 119 6.117 1.292 -39.625 1.00 0.00 H +ATOM 1950 CD GLU A 119 4.481 -0.018 -39.773 1.00 0.00 C +ATOM 1951 OE1 GLU A 119 3.769 0.490 -40.663 1.00 0.00 O +ATOM 1952 OE2 GLU A 119 4.568 -1.298 -39.808 1.00 0.00 O +ATOM 1953 C GLU A 119 6.267 2.711 -36.657 1.00 0.00 C +ATOM 1954 O GLU A 119 6.227 3.624 -37.465 1.00 0.00 O +ATOM 1955 N TYR A 120 5.550 2.813 -35.514 1.00 0.00 N +ATOM 1956 H TYR A 120 5.335 1.988 -34.974 1.00 0.00 H +ATOM 1957 CA TYR A 120 4.879 4.010 -35.036 1.00 0.00 C +ATOM 1958 HA TYR A 120 4.082 4.393 -35.674 1.00 0.00 H +ATOM 1959 CB TYR A 120 4.201 3.670 -33.742 1.00 0.00 C +ATOM 1960 HB2 TYR A 120 3.579 2.780 -33.845 1.00 0.00 H +ATOM 1961 HB3 TYR A 120 4.902 3.553 -32.916 1.00 0.00 H +ATOM 1962 CG TYR A 120 3.205 4.666 -33.206 1.00 0.00 C +ATOM 1963 CD1 TYR A 120 1.976 4.931 -33.805 1.00 0.00 C +ATOM 1964 HD1 TYR A 120 1.638 4.288 -34.604 1.00 0.00 H +ATOM 1965 CE1 TYR A 120 1.091 5.902 -33.222 1.00 0.00 C +ATOM 1966 HE1 TYR A 120 0.177 6.172 -33.730 1.00 0.00 H +ATOM 1967 CZ TYR A 120 1.401 6.558 -32.003 1.00 0.00 C +ATOM 1968 OH TYR A 120 0.599 7.549 -31.465 1.00 0.00 O +ATOM 1969 HH TYR A 120 -0.296 7.576 -31.810 1.00 0.00 H +ATOM 1970 CE2 TYR A 120 2.629 6.312 -31.433 1.00 0.00 C +ATOM 1971 HE2 TYR A 120 2.925 6.794 -30.513 1.00 0.00 H +ATOM 1972 CD2 TYR A 120 3.471 5.348 -31.966 1.00 0.00 C +ATOM 1973 HD2 TYR A 120 4.442 5.254 -31.504 1.00 0.00 H +ATOM 1974 C TYR A 120 5.852 5.190 -34.713 1.00 0.00 C +ATOM 1975 O TYR A 120 5.610 6.322 -35.067 1.00 0.00 O +ATOM 1976 N LEU A 121 6.922 4.883 -34.029 1.00 0.00 N +ATOM 1977 H LEU A 121 6.894 3.896 -33.816 1.00 0.00 H +ATOM 1978 CA LEU A 121 8.022 5.819 -33.702 1.00 0.00 C +ATOM 1979 HA LEU A 121 7.520 6.671 -33.244 1.00 0.00 H +ATOM 1980 CB LEU A 121 8.944 5.199 -32.628 1.00 0.00 C +ATOM 1981 HB2 LEU A 121 9.230 4.210 -32.987 1.00 0.00 H +ATOM 1982 HB3 LEU A 121 9.859 5.785 -32.545 1.00 0.00 H +ATOM 1983 CG LEU A 121 8.260 5.071 -31.261 1.00 0.00 C +ATOM 1984 HG LEU A 121 7.177 4.955 -31.297 1.00 0.00 H +ATOM 1985 CD1 LEU A 121 8.787 3.846 -30.503 1.00 0.00 C +ATOM 1986 HD11 LEU A 121 9.855 3.662 -30.619 1.00 0.00 H +ATOM 1987 HD12 LEU A 121 8.625 3.839 -29.425 1.00 0.00 H +ATOM 1988 HD13 LEU A 121 8.374 2.986 -31.031 1.00 0.00 H +ATOM 1989 CD2 LEU A 121 8.439 6.373 -30.438 1.00 0.00 C +ATOM 1990 HD21 LEU A 121 8.251 7.141 -31.188 1.00 0.00 H +ATOM 1991 HD22 LEU A 121 7.675 6.542 -29.679 1.00 0.00 H +ATOM 1992 HD23 LEU A 121 9.413 6.337 -29.949 1.00 0.00 H +ATOM 1993 C LEU A 121 8.693 6.383 -34.979 1.00 0.00 C +ATOM 1994 O LEU A 121 8.887 7.581 -35.018 1.00 0.00 O +ATOM 1995 N GLU A 122 9.052 5.569 -35.989 1.00 0.00 N +ATOM 1996 H GLU A 122 9.118 4.590 -35.752 1.00 0.00 H +ATOM 1997 CA GLU A 122 9.476 6.032 -37.291 1.00 0.00 C +ATOM 1998 HA GLU A 122 10.402 6.605 -37.231 1.00 0.00 H +ATOM 1999 CB GLU A 122 9.792 4.801 -38.220 1.00 0.00 C +ATOM 2000 HB2 GLU A 122 10.581 4.263 -37.695 1.00 0.00 H +ATOM 2001 HB3 GLU A 122 8.861 4.236 -38.170 1.00 0.00 H +ATOM 2002 CG GLU A 122 10.363 5.071 -39.596 1.00 0.00 C +ATOM 2003 HG2 GLU A 122 9.742 5.842 -40.052 1.00 0.00 H +ATOM 2004 HG3 GLU A 122 11.318 5.551 -39.381 1.00 0.00 H +ATOM 2005 CD GLU A 122 10.438 3.873 -40.573 1.00 0.00 C +ATOM 2006 OE1 GLU A 122 9.411 3.203 -40.727 1.00 0.00 O +ATOM 2007 OE2 GLU A 122 11.489 3.441 -41.135 1.00 0.00 O +ATOM 2008 C GLU A 122 8.404 6.979 -37.909 1.00 0.00 C +ATOM 2009 O GLU A 122 8.769 8.055 -38.401 1.00 0.00 O +ATOM 2010 N LYS A 123 7.143 6.696 -37.971 1.00 0.00 N +ATOM 2011 H LYS A 123 6.918 5.799 -37.565 1.00 0.00 H +ATOM 2012 CA LYS A 123 6.012 7.508 -38.576 1.00 0.00 C +ATOM 2013 HA LYS A 123 6.175 7.592 -39.650 1.00 0.00 H +ATOM 2014 CB LYS A 123 4.644 6.838 -38.371 1.00 0.00 C +ATOM 2015 HB2 LYS A 123 4.769 5.762 -38.252 1.00 0.00 H +ATOM 2016 HB3 LYS A 123 4.309 7.138 -37.378 1.00 0.00 H +ATOM 2017 CG LYS A 123 3.619 7.235 -39.429 1.00 0.00 C +ATOM 2018 HG2 LYS A 123 4.106 6.956 -40.364 1.00 0.00 H +ATOM 2019 HG3 LYS A 123 2.799 6.565 -39.168 1.00 0.00 H +ATOM 2020 CD LYS A 123 3.096 8.692 -39.472 1.00 0.00 C +ATOM 2021 HD2 LYS A 123 2.882 8.958 -38.436 1.00 0.00 H +ATOM 2022 HD3 LYS A 123 3.851 9.421 -39.766 1.00 0.00 H +ATOM 2023 CE LYS A 123 1.818 8.830 -40.319 1.00 0.00 C +ATOM 2024 HE2 LYS A 123 2.069 8.609 -41.356 1.00 0.00 H +ATOM 2025 HE3 LYS A 123 1.021 8.185 -39.948 1.00 0.00 H +ATOM 2026 NZ LYS A 123 1.244 10.174 -40.259 1.00 0.00 N +ATOM 2027 HZ1 LYS A 123 1.897 10.853 -40.624 1.00 0.00 H +ATOM 2028 HZ2 LYS A 123 0.445 10.173 -40.877 1.00 0.00 H +ATOM 2029 HZ3 LYS A 123 0.975 10.455 -39.327 1.00 0.00 H +ATOM 2030 C LYS A 123 5.903 8.895 -37.897 1.00 0.00 C +ATOM 2031 O LYS A 123 5.870 9.948 -38.491 1.00 0.00 O +ATOM 2032 N LYS A 124 6.041 8.915 -36.543 1.00 0.00 N +ATOM 2033 H LYS A 124 6.188 8.017 -36.104 1.00 0.00 H +ATOM 2034 CA LYS A 124 5.999 10.228 -35.729 1.00 0.00 C +ATOM 2035 HA LYS A 124 5.482 10.939 -36.374 1.00 0.00 H +ATOM 2036 CB LYS A 124 5.129 10.042 -34.453 1.00 0.00 C +ATOM 2037 HB2 LYS A 124 5.265 9.051 -34.020 1.00 0.00 H +ATOM 2038 HB3 LYS A 124 5.396 10.803 -33.720 1.00 0.00 H +ATOM 2039 CG LYS A 124 3.601 10.120 -34.814 1.00 0.00 C +ATOM 2040 HG2 LYS A 124 3.398 10.962 -35.475 1.00 0.00 H +ATOM 2041 HG3 LYS A 124 3.217 9.214 -35.283 1.00 0.00 H +ATOM 2042 CD LYS A 124 2.734 10.201 -33.583 1.00 0.00 C +ATOM 2043 HD2 LYS A 124 1.699 9.995 -33.856 1.00 0.00 H +ATOM 2044 HD3 LYS A 124 2.999 9.409 -32.883 1.00 0.00 H +ATOM 2045 CE LYS A 124 2.738 11.568 -32.896 1.00 0.00 C +ATOM 2046 HE2 LYS A 124 2.070 11.525 -32.036 1.00 0.00 H +ATOM 2047 HE3 LYS A 124 3.690 12.017 -32.612 1.00 0.00 H +ATOM 2048 NZ LYS A 124 2.014 12.449 -33.776 1.00 0.00 N +ATOM 2049 HZ1 LYS A 124 1.400 11.901 -34.361 1.00 0.00 H +ATOM 2050 HZ2 LYS A 124 1.557 13.274 -33.415 1.00 0.00 H +ATOM 2051 HZ3 LYS A 124 2.527 12.821 -34.562 1.00 0.00 H +ATOM 2052 C LYS A 124 7.401 10.774 -35.485 1.00 0.00 C +ATOM 2053 O LYS A 124 7.551 11.692 -34.729 1.00 0.00 O +ATOM 2054 N ASN A 125 8.493 10.305 -36.174 1.00 0.00 N +ATOM 2055 H ASN A 125 8.410 9.459 -36.720 1.00 0.00 H +ATOM 2056 CA ASN A 125 9.765 11.040 -36.320 1.00 0.00 C +ATOM 2057 HA ASN A 125 10.352 10.444 -37.019 1.00 0.00 H +ATOM 2058 CB ASN A 125 9.668 12.412 -36.971 1.00 0.00 C +ATOM 2059 HB2 ASN A 125 9.570 13.163 -36.187 1.00 0.00 H +ATOM 2060 HB3 ASN A 125 10.647 12.638 -37.393 1.00 0.00 H +ATOM 2061 CG ASN A 125 8.487 12.622 -38.011 1.00 0.00 C +ATOM 2062 OD1 ASN A 125 8.564 12.247 -39.151 1.00 0.00 O +ATOM 2063 ND2 ASN A 125 7.479 13.373 -37.694 1.00 0.00 N +ATOM 2064 HD21 ASN A 125 6.787 13.593 -38.396 1.00 0.00 H +ATOM 2065 HD22 ASN A 125 7.295 13.641 -36.738 1.00 0.00 H +ATOM 2066 C ASN A 125 10.580 11.072 -35.012 1.00 0.00 C +ATOM 2067 O ASN A 125 11.193 12.011 -34.724 1.00 0.00 O +ATOM 2068 N PHE A 126 10.424 9.977 -34.262 1.00 0.00 N +ATOM 2069 H PHE A 126 9.935 9.190 -34.663 1.00 0.00 H +ATOM 2070 CA PHE A 126 11.214 9.682 -33.041 1.00 0.00 C +ATOM 2071 HA PHE A 126 11.573 10.624 -32.626 1.00 0.00 H +ATOM 2072 CB PHE A 126 10.287 9.038 -31.966 1.00 0.00 C +ATOM 2073 HB2 PHE A 126 9.892 8.139 -32.438 1.00 0.00 H +ATOM 2074 HB3 PHE A 126 10.905 8.645 -31.159 1.00 0.00 H +ATOM 2075 CG PHE A 126 9.206 9.877 -31.351 1.00 0.00 C +ATOM 2076 CD1 PHE A 126 7.917 9.705 -31.911 1.00 0.00 C +ATOM 2077 HD1 PHE A 126 7.735 9.061 -32.758 1.00 0.00 H +ATOM 2078 CE1 PHE A 126 6.837 10.310 -31.317 1.00 0.00 C +ATOM 2079 HE1 PHE A 126 5.830 10.084 -31.636 1.00 0.00 H +ATOM 2080 CZ PHE A 126 7.023 11.026 -30.129 1.00 0.00 C +ATOM 2081 HZ PHE A 126 6.180 11.378 -29.554 1.00 0.00 H +ATOM 2082 CE2 PHE A 126 8.279 11.367 -29.701 1.00 0.00 C +ATOM 2083 HE2 PHE A 126 8.310 12.119 -28.926 1.00 0.00 H +ATOM 2084 CD2 PHE A 126 9.376 10.765 -30.256 1.00 0.00 C +ATOM 2085 HD2 PHE A 126 10.374 10.897 -29.865 1.00 0.00 H +ATOM 2086 C PHE A 126 12.415 8.725 -33.281 1.00 0.00 C +ATOM 2087 O PHE A 126 12.435 8.013 -34.323 1.00 0.00 O +ATOM 2088 N ILE A 127 13.366 8.751 -32.318 1.00 0.00 N +ATOM 2089 H ILE A 127 13.242 9.399 -31.553 1.00 0.00 H +ATOM 2090 CA ILE A 127 14.677 8.046 -32.405 1.00 0.00 C +ATOM 2091 HA ILE A 127 14.604 7.117 -32.971 1.00 0.00 H +ATOM 2092 CB ILE A 127 15.803 8.790 -33.139 1.00 0.00 C +ATOM 2093 HB ILE A 127 16.120 9.655 -32.555 1.00 0.00 H +ATOM 2094 CG2 ILE A 127 17.026 7.802 -33.150 1.00 0.00 C +ATOM 2095 HG21 ILE A 127 17.353 7.443 -32.174 1.00 0.00 H +ATOM 2096 HG22 ILE A 127 16.802 7.005 -33.860 1.00 0.00 H +ATOM 2097 HG23 ILE A 127 17.900 8.319 -33.546 1.00 0.00 H +ATOM 2098 CG1 ILE A 127 15.436 9.390 -34.548 1.00 0.00 C +ATOM 2099 HG12 ILE A 127 16.346 9.686 -35.071 1.00 0.00 H +ATOM 2100 HG13 ILE A 127 14.901 8.617 -35.099 1.00 0.00 H +ATOM 2101 CD1 ILE A 127 14.850 10.749 -34.505 1.00 0.00 C +ATOM 2102 HD11 ILE A 127 15.578 11.473 -34.138 1.00 0.00 H +ATOM 2103 HD12 ILE A 127 14.615 11.049 -35.526 1.00 0.00 H +ATOM 2104 HD13 ILE A 127 13.936 10.931 -33.940 1.00 0.00 H +ATOM 2105 C ILE A 127 15.061 7.716 -30.970 1.00 0.00 C +ATOM 2106 O ILE A 127 15.359 8.615 -30.114 1.00 0.00 O +ATOM 2107 N HIS A 128 14.715 6.482 -30.602 1.00 0.00 N +ATOM 2108 H HIS A 128 14.613 5.822 -31.360 1.00 0.00 H +ATOM 2109 CA HIS A 128 14.805 5.958 -29.316 1.00 0.00 C +ATOM 2110 HA HIS A 128 14.193 6.569 -28.654 1.00 0.00 H +ATOM 2111 CB HIS A 128 14.511 4.462 -29.304 1.00 0.00 C +ATOM 2112 HB2 HIS A 128 13.668 4.287 -29.972 1.00 0.00 H +ATOM 2113 HB3 HIS A 128 15.278 3.775 -29.662 1.00 0.00 H +ATOM 2114 CG HIS A 128 14.218 4.022 -27.880 1.00 0.00 C +ATOM 2115 ND1 HIS A 128 15.140 3.959 -26.807 1.00 0.00 N +ATOM 2116 CE1 HIS A 128 14.551 3.277 -25.838 1.00 0.00 C +ATOM 2117 HE1 HIS A 128 14.958 3.189 -24.842 1.00 0.00 H +ATOM 2118 NE2 HIS A 128 13.282 2.953 -26.140 1.00 0.00 N +ATOM 2119 HE2 HIS A 128 12.611 2.497 -25.539 1.00 0.00 H +ATOM 2120 CD2 HIS A 128 13.042 3.387 -27.463 1.00 0.00 C +ATOM 2121 HD2 HIS A 128 12.186 3.146 -28.076 1.00 0.00 H +ATOM 2122 C HIS A 128 16.242 6.181 -28.739 1.00 0.00 C +ATOM 2123 O HIS A 128 16.283 6.857 -27.665 1.00 0.00 O +ATOM 2124 N ARG A 129 17.343 5.568 -29.302 1.00 0.00 N +ATOM 2125 H ARG A 129 17.199 5.102 -30.187 1.00 0.00 H +ATOM 2126 CA ARG A 129 18.708 5.669 -28.799 1.00 0.00 C +ATOM 2127 HA ARG A 129 19.264 5.317 -29.667 1.00 0.00 H +ATOM 2128 CB ARG A 129 19.119 7.127 -28.468 1.00 0.00 C +ATOM 2129 HB2 ARG A 129 18.652 7.323 -27.503 1.00 0.00 H +ATOM 2130 HB3 ARG A 129 20.205 7.184 -28.394 1.00 0.00 H +ATOM 2131 CG ARG A 129 18.834 8.316 -29.447 1.00 0.00 C +ATOM 2132 HG2 ARG A 129 19.444 8.183 -30.341 1.00 0.00 H +ATOM 2133 HG3 ARG A 129 17.785 8.346 -29.742 1.00 0.00 H +ATOM 2134 CD ARG A 129 19.179 9.666 -28.809 1.00 0.00 C +ATOM 2135 HD2 ARG A 129 19.097 10.538 -29.457 1.00 0.00 H +ATOM 2136 HD3 ARG A 129 18.484 9.876 -27.995 1.00 0.00 H +ATOM 2137 NE ARG A 129 20.595 9.669 -28.349 1.00 0.00 N +ATOM 2138 HE ARG A 129 21.059 8.788 -28.174 1.00 0.00 H +ATOM 2139 CZ ARG A 129 21.294 10.738 -28.015 1.00 0.00 C +ATOM 2140 NH1 ARG A 129 20.845 11.934 -28.193 1.00 0.00 N +ATOM 2141 HH11 ARG A 129 20.046 12.118 -28.783 1.00 0.00 H +ATOM 2142 HH12 ARG A 129 21.419 12.659 -27.787 1.00 0.00 H +ATOM 2143 NH2 ARG A 129 22.446 10.646 -27.407 1.00 0.00 N +ATOM 2144 HH21 ARG A 129 22.799 9.723 -27.198 1.00 0.00 H +ATOM 2145 HH22 ARG A 129 22.958 11.458 -27.091 1.00 0.00 H +ATOM 2146 C ARG A 129 19.091 4.672 -27.734 1.00 0.00 C +ATOM 2147 O ARG A 129 20.326 4.533 -27.419 1.00 0.00 O +ATOM 2148 N ASP A 130 18.173 3.874 -27.133 1.00 0.00 N +ATOM 2149 H ASP A 130 17.179 3.943 -27.300 1.00 0.00 H +ATOM 2150 CA ASP A 130 18.475 2.866 -26.120 1.00 0.00 C +ATOM 2151 HA ASP A 130 19.519 2.554 -26.097 1.00 0.00 H +ATOM 2152 CB ASP A 130 18.406 3.570 -24.719 1.00 0.00 C +ATOM 2153 HB2 ASP A 130 18.992 4.488 -24.689 1.00 0.00 H +ATOM 2154 HB3 ASP A 130 17.368 3.774 -24.455 1.00 0.00 H +ATOM 2155 CG ASP A 130 19.001 2.682 -23.575 1.00 0.00 C +ATOM 2156 OD1 ASP A 130 19.745 1.736 -23.768 1.00 0.00 O +ATOM 2157 OD2 ASP A 130 18.613 3.066 -22.432 1.00 0.00 O +ATOM 2158 C ASP A 130 17.673 1.530 -26.300 1.00 0.00 C +ATOM 2159 O ASP A 130 17.120 1.024 -25.302 1.00 0.00 O +ATOM 2160 N LEU A 131 17.327 1.157 -27.508 1.00 0.00 N +ATOM 2161 H LEU A 131 17.517 1.818 -28.248 1.00 0.00 H +ATOM 2162 CA LEU A 131 16.399 0.022 -27.692 1.00 0.00 C +ATOM 2163 HA LEU A 131 15.675 0.108 -26.883 1.00 0.00 H +ATOM 2164 CB LEU A 131 15.718 0.205 -29.001 1.00 0.00 C +ATOM 2165 HB2 LEU A 131 15.285 1.205 -29.047 1.00 0.00 H +ATOM 2166 HB3 LEU A 131 16.560 0.082 -29.682 1.00 0.00 H +ATOM 2167 CG LEU A 131 14.608 -0.814 -29.260 1.00 0.00 C +ATOM 2168 HG LEU A 131 14.953 -1.840 -29.128 1.00 0.00 H +ATOM 2169 CD1 LEU A 131 13.352 -0.658 -28.313 1.00 0.00 C +ATOM 2170 HD11 LEU A 131 12.527 -1.192 -28.782 1.00 0.00 H +ATOM 2171 HD12 LEU A 131 13.695 -1.028 -27.346 1.00 0.00 H +ATOM 2172 HD13 LEU A 131 13.074 0.394 -28.375 1.00 0.00 H +ATOM 2173 CD2 LEU A 131 14.235 -0.780 -30.713 1.00 0.00 C +ATOM 2174 HD21 LEU A 131 13.355 -1.401 -30.878 1.00 0.00 H +ATOM 2175 HD22 LEU A 131 14.119 0.194 -31.188 1.00 0.00 H +ATOM 2176 HD23 LEU A 131 15.100 -1.241 -31.190 1.00 0.00 H +ATOM 2177 C LEU A 131 17.016 -1.368 -27.488 1.00 0.00 C +ATOM 2178 O LEU A 131 17.880 -1.763 -28.271 1.00 0.00 O +ATOM 2179 N ALA A 132 16.558 -2.154 -26.575 1.00 0.00 N +ATOM 2180 H ALA A 132 15.728 -1.780 -26.138 1.00 0.00 H +ATOM 2181 CA ALA A 132 17.342 -3.289 -25.950 1.00 0.00 C +ATOM 2182 HA ALA A 132 17.797 -3.961 -26.678 1.00 0.00 H +ATOM 2183 CB ALA A 132 18.491 -2.634 -25.114 1.00 0.00 C +ATOM 2184 HB1 ALA A 132 18.165 -2.086 -24.230 1.00 0.00 H +ATOM 2185 HB2 ALA A 132 19.313 -3.350 -25.098 1.00 0.00 H +ATOM 2186 HB3 ALA A 132 18.986 -1.921 -25.772 1.00 0.00 H +ATOM 2187 C ALA A 132 16.509 -4.036 -24.854 1.00 0.00 C +ATOM 2188 O ALA A 132 15.526 -3.369 -24.445 1.00 0.00 O +ATOM 2189 N ALA A 133 16.838 -5.281 -24.432 1.00 0.00 N +ATOM 2190 H ALA A 133 17.615 -5.789 -24.830 1.00 0.00 H +ATOM 2191 CA ALA A 133 15.873 -6.082 -23.668 1.00 0.00 C +ATOM 2192 HA ALA A 133 14.972 -6.053 -24.281 1.00 0.00 H +ATOM 2193 CB ALA A 133 16.385 -7.520 -23.571 1.00 0.00 C +ATOM 2194 HB1 ALA A 133 17.333 -7.624 -23.043 1.00 0.00 H +ATOM 2195 HB2 ALA A 133 15.614 -8.026 -22.990 1.00 0.00 H +ATOM 2196 HB3 ALA A 133 16.558 -8.009 -24.530 1.00 0.00 H +ATOM 2197 C ALA A 133 15.470 -5.275 -22.316 1.00 0.00 C +ATOM 2198 O ALA A 133 14.382 -5.444 -21.820 1.00 0.00 O +ATOM 2199 N ARG A 134 16.415 -4.433 -21.849 1.00 0.00 N +ATOM 2200 H ARG A 134 17.329 -4.414 -22.279 1.00 0.00 H +ATOM 2201 CA ARG A 134 16.272 -3.434 -20.810 1.00 0.00 C +ATOM 2202 HA ARG A 134 15.836 -3.876 -19.915 1.00 0.00 H +ATOM 2203 CB ARG A 134 17.669 -2.838 -20.427 1.00 0.00 C +ATOM 2204 HB2 ARG A 134 17.534 -2.171 -19.575 1.00 0.00 H +ATOM 2205 HB3 ARG A 134 18.272 -3.720 -20.207 1.00 0.00 H +ATOM 2206 CG ARG A 134 18.266 -2.087 -21.567 1.00 0.00 C +ATOM 2207 HG2 ARG A 134 18.432 -2.783 -22.389 1.00 0.00 H +ATOM 2208 HG3 ARG A 134 17.596 -1.314 -21.942 1.00 0.00 H +ATOM 2209 CD ARG A 134 19.542 -1.362 -21.178 1.00 0.00 C +ATOM 2210 HD2 ARG A 134 19.180 -0.593 -20.496 1.00 0.00 H +ATOM 2211 HD3 ARG A 134 20.192 -1.985 -20.563 1.00 0.00 H +ATOM 2212 NE ARG A 134 20.194 -0.668 -22.278 1.00 0.00 N +ATOM 2213 HE ARG A 134 19.860 0.265 -22.472 1.00 0.00 H +ATOM 2214 CZ ARG A 134 21.002 -1.212 -23.164 1.00 0.00 C +ATOM 2215 NH1 ARG A 134 21.525 -2.387 -23.147 1.00 0.00 N +ATOM 2216 HH11 ARG A 134 21.539 -3.068 -22.401 1.00 0.00 H +ATOM 2217 HH12 ARG A 134 22.106 -2.742 -23.893 1.00 0.00 H +ATOM 2218 NH2 ARG A 134 21.270 -0.434 -24.185 1.00 0.00 N +ATOM 2219 HH21 ARG A 134 20.856 0.486 -24.155 1.00 0.00 H +ATOM 2220 HH22 ARG A 134 21.569 -0.843 -25.059 1.00 0.00 H +ATOM 2221 C ARG A 134 15.260 -2.266 -21.004 1.00 0.00 C +ATOM 2222 O ARG A 134 14.857 -1.778 -19.954 1.00 0.00 O +ATOM 2223 N ASN A 135 14.939 -1.823 -22.195 1.00 0.00 N +ATOM 2224 H ASN A 135 15.325 -2.296 -22.999 1.00 0.00 H +ATOM 2225 CA ASN A 135 13.879 -0.821 -22.483 1.00 0.00 C +ATOM 2226 HA ASN A 135 13.501 -0.466 -21.524 1.00 0.00 H +ATOM 2227 CB ASN A 135 14.460 0.338 -23.319 1.00 0.00 C +ATOM 2228 HB2 ASN A 135 15.016 -0.074 -24.160 1.00 0.00 H +ATOM 2229 HB3 ASN A 135 13.777 0.980 -23.875 1.00 0.00 H +ATOM 2230 CG ASN A 135 15.274 1.410 -22.473 1.00 0.00 C +ATOM 2231 OD1 ASN A 135 14.797 2.136 -21.595 1.00 0.00 O +ATOM 2232 ND2 ASN A 135 16.536 1.405 -22.620 1.00 0.00 N +ATOM 2233 HD21 ASN A 135 16.997 2.089 -22.037 1.00 0.00 H +ATOM 2234 HD22 ASN A 135 16.970 1.028 -23.450 1.00 0.00 H +ATOM 2235 C ASN A 135 12.520 -1.401 -23.091 1.00 0.00 C +ATOM 2236 O ASN A 135 11.986 -0.888 -24.082 1.00 0.00 O +ATOM 2237 N CYS A 136 12.122 -2.576 -22.637 1.00 0.00 N +ATOM 2238 H CYS A 136 12.552 -3.011 -21.833 1.00 0.00 H +ATOM 2239 CA CYS A 136 11.007 -3.304 -23.267 1.00 0.00 C +ATOM 2240 HA CYS A 136 10.307 -2.537 -23.598 1.00 0.00 H +ATOM 2241 CB CYS A 136 11.481 -4.103 -24.466 1.00 0.00 C +ATOM 2242 HB2 CYS A 136 12.145 -3.544 -25.125 1.00 0.00 H +ATOM 2243 HB3 CYS A 136 11.973 -4.976 -24.037 1.00 0.00 H +ATOM 2244 SG CYS A 136 9.966 -4.583 -25.447 1.00 0.00 S +ATOM 2245 HG CYS A 136 9.458 -5.495 -24.613 1.00 0.00 H +ATOM 2246 C CYS A 136 10.262 -4.174 -22.193 1.00 0.00 C +ATOM 2247 O CYS A 136 10.920 -4.802 -21.385 1.00 0.00 O +ATOM 2248 N LEU A 137 8.947 -4.180 -22.225 1.00 0.00 N +ATOM 2249 H LEU A 137 8.470 -3.694 -22.971 1.00 0.00 H +ATOM 2250 CA LEU A 137 8.102 -4.844 -21.184 1.00 0.00 C +ATOM 2251 HA LEU A 137 8.682 -5.104 -20.298 1.00 0.00 H +ATOM 2252 CB LEU A 137 7.086 -3.753 -20.781 1.00 0.00 C +ATOM 2253 HB2 LEU A 137 6.535 -3.484 -21.682 1.00 0.00 H +ATOM 2254 HB3 LEU A 137 6.367 -4.145 -20.061 1.00 0.00 H +ATOM 2255 CG LEU A 137 7.690 -2.480 -20.072 1.00 0.00 C +ATOM 2256 HG LEU A 137 8.524 -2.067 -20.640 1.00 0.00 H +ATOM 2257 CD1 LEU A 137 6.488 -1.569 -19.886 1.00 0.00 C +ATOM 2258 HD11 LEU A 137 5.928 -1.435 -20.810 1.00 0.00 H +ATOM 2259 HD12 LEU A 137 5.811 -1.965 -19.129 1.00 0.00 H +ATOM 2260 HD13 LEU A 137 6.804 -0.579 -19.557 1.00 0.00 H +ATOM 2261 CD2 LEU A 137 8.198 -2.750 -18.657 1.00 0.00 C +ATOM 2262 HD21 LEU A 137 8.696 -1.900 -18.192 1.00 0.00 H +ATOM 2263 HD22 LEU A 137 7.294 -2.953 -18.084 1.00 0.00 H +ATOM 2264 HD23 LEU A 137 8.884 -3.592 -18.744 1.00 0.00 H +ATOM 2265 C LEU A 137 7.265 -6.057 -21.716 1.00 0.00 C +ATOM 2266 O LEU A 137 6.715 -5.980 -22.810 1.00 0.00 O +ATOM 2267 N VAL A 138 6.981 -7.041 -20.838 1.00 0.00 N +ATOM 2268 H VAL A 138 7.433 -7.086 -19.936 1.00 0.00 H +ATOM 2269 CA VAL A 138 6.172 -8.280 -21.129 1.00 0.00 C +ATOM 2270 HA VAL A 138 5.877 -8.177 -22.173 1.00 0.00 H +ATOM 2271 CB VAL A 138 7.075 -9.534 -21.049 1.00 0.00 C +ATOM 2272 HB VAL A 138 7.508 -9.523 -20.049 1.00 0.00 H +ATOM 2273 CG1 VAL A 138 6.296 -10.792 -21.322 1.00 0.00 C +ATOM 2274 HG11 VAL A 138 6.973 -11.641 -21.424 1.00 0.00 H +ATOM 2275 HG12 VAL A 138 5.644 -11.097 -20.503 1.00 0.00 H +ATOM 2276 HG13 VAL A 138 5.744 -10.725 -22.259 1.00 0.00 H +ATOM 2277 CG2 VAL A 138 8.149 -9.477 -22.149 1.00 0.00 C +ATOM 2278 HG21 VAL A 138 8.768 -8.625 -21.867 1.00 0.00 H +ATOM 2279 HG22 VAL A 138 8.773 -10.365 -22.249 1.00 0.00 H +ATOM 2280 HG23 VAL A 138 7.743 -9.139 -23.103 1.00 0.00 H +ATOM 2281 C VAL A 138 4.943 -8.450 -20.201 1.00 0.00 C +ATOM 2282 O VAL A 138 4.885 -8.181 -19.035 1.00 0.00 O +ATOM 2283 N GLY A 139 3.799 -8.951 -20.679 1.00 0.00 N +ATOM 2284 H GLY A 139 3.850 -9.228 -21.649 1.00 0.00 H +ATOM 2285 CA GLY A 139 2.499 -9.178 -20.022 1.00 0.00 C +ATOM 2286 HA2 GLY A 139 2.684 -9.196 -18.947 1.00 0.00 H +ATOM 2287 HA3 GLY A 139 1.843 -8.330 -20.217 1.00 0.00 H +ATOM 2288 C GLY A 139 1.744 -10.500 -20.490 1.00 0.00 C +ATOM 2289 O GLY A 139 2.217 -11.260 -21.288 1.00 0.00 O +ATOM 2290 N GLU A 140 0.572 -10.648 -19.898 1.00 0.00 N +ATOM 2291 H GLU A 140 0.299 -9.859 -19.329 1.00 0.00 H +ATOM 2292 CA GLU A 140 -0.454 -11.690 -20.046 1.00 0.00 C +ATOM 2293 HA GLU A 140 -0.000 -12.490 -19.461 1.00 0.00 H +ATOM 2294 CB GLU A 140 -1.761 -11.296 -19.387 1.00 0.00 C +ATOM 2295 HB2 GLU A 140 -2.079 -10.343 -19.808 1.00 0.00 H +ATOM 2296 HB3 GLU A 140 -2.482 -12.026 -19.755 1.00 0.00 H +ATOM 2297 CG GLU A 140 -1.895 -11.424 -17.870 1.00 0.00 C +ATOM 2298 HG2 GLU A 140 -1.129 -10.829 -17.373 1.00 0.00 H +ATOM 2299 HG3 GLU A 140 -2.885 -11.089 -17.562 1.00 0.00 H +ATOM 2300 CD GLU A 140 -1.761 -12.873 -17.333 1.00 0.00 C +ATOM 2301 OE1 GLU A 140 -1.749 -13.866 -18.082 1.00 0.00 O +ATOM 2302 OE2 GLU A 140 -1.754 -13.034 -16.089 1.00 0.00 O +ATOM 2303 C GLU A 140 -0.593 -12.084 -21.518 1.00 0.00 C +ATOM 2304 O GLU A 140 -0.969 -11.294 -22.400 1.00 0.00 O +ATOM 2305 N ASN A 141 -0.368 -13.341 -21.780 1.00 0.00 N +ATOM 2306 H ASN A 141 -0.020 -13.884 -21.002 1.00 0.00 H +ATOM 2307 CA ASN A 141 -0.561 -14.062 -22.998 1.00 0.00 C +ATOM 2308 HA ASN A 141 -0.238 -15.087 -22.814 1.00 0.00 H +ATOM 2309 CB ASN A 141 -1.970 -14.093 -23.491 1.00 0.00 C +ATOM 2310 HB2 ASN A 141 -2.403 -13.105 -23.650 1.00 0.00 H +ATOM 2311 HB3 ASN A 141 -2.125 -14.555 -24.466 1.00 0.00 H +ATOM 2312 CG ASN A 141 -2.947 -14.763 -22.469 1.00 0.00 C +ATOM 2313 OD1 ASN A 141 -3.043 -15.968 -22.445 1.00 0.00 O +ATOM 2314 ND2 ASN A 141 -3.749 -14.072 -21.707 1.00 0.00 N +ATOM 2315 HD21 ASN A 141 -4.421 -14.579 -21.149 1.00 0.00 H +ATOM 2316 HD22 ASN A 141 -3.812 -13.102 -21.982 1.00 0.00 H +ATOM 2317 C ASN A 141 0.491 -13.636 -24.037 1.00 0.00 C +ATOM 2318 O ASN A 141 0.197 -13.453 -25.200 1.00 0.00 O +ATOM 2319 N HIS A 142 1.768 -13.371 -23.580 1.00 0.00 N +ATOM 2320 H HIS A 142 1.962 -13.436 -22.591 1.00 0.00 H +ATOM 2321 CA HIS A 142 2.888 -13.070 -24.392 1.00 0.00 C +ATOM 2322 HA HIS A 142 3.679 -12.953 -23.651 1.00 0.00 H +ATOM 2323 CB HIS A 142 3.257 -14.266 -25.283 1.00 0.00 C +ATOM 2324 HB2 HIS A 142 2.462 -14.490 -25.994 1.00 0.00 H +ATOM 2325 HB3 HIS A 142 4.119 -13.852 -25.805 1.00 0.00 H +ATOM 2326 CG HIS A 142 3.520 -15.540 -24.504 1.00 0.00 C +ATOM 2327 ND1 HIS A 142 2.785 -16.751 -24.493 1.00 0.00 N +ATOM 2328 CE1 HIS A 142 3.404 -17.585 -23.614 1.00 0.00 C +ATOM 2329 HE1 HIS A 142 3.151 -18.618 -23.422 1.00 0.00 H +ATOM 2330 NE2 HIS A 142 4.336 -16.873 -22.942 1.00 0.00 N +ATOM 2331 HE2 HIS A 142 4.817 -17.252 -22.139 1.00 0.00 H +ATOM 2332 CD2 HIS A 142 4.492 -15.686 -23.592 1.00 0.00 C +ATOM 2333 HD2 HIS A 142 5.225 -14.931 -23.353 1.00 0.00 H +ATOM 2334 C HIS A 142 2.734 -11.681 -25.147 1.00 0.00 C +ATOM 2335 O HIS A 142 3.364 -11.408 -26.190 1.00 0.00 O +ATOM 2336 N LEU A 143 1.971 -10.884 -24.533 1.00 0.00 N +ATOM 2337 H LEU A 143 1.427 -11.239 -23.760 1.00 0.00 H +ATOM 2338 CA LEU A 143 1.852 -9.414 -24.798 1.00 0.00 C +ATOM 2339 HA LEU A 143 1.773 -9.279 -25.877 1.00 0.00 H +ATOM 2340 CB LEU A 143 0.621 -8.895 -24.047 1.00 0.00 C +ATOM 2341 HB2 LEU A 143 -0.278 -9.413 -24.383 1.00 0.00 H +ATOM 2342 HB3 LEU A 143 0.815 -9.179 -23.012 1.00 0.00 H +ATOM 2343 CG LEU A 143 0.263 -7.345 -24.090 1.00 0.00 C +ATOM 2344 HG LEU A 143 1.217 -6.855 -23.895 1.00 0.00 H +ATOM 2345 CD1 LEU A 143 -0.107 -6.786 -25.467 1.00 0.00 C +ATOM 2346 HD11 LEU A 143 0.492 -7.211 -26.273 1.00 0.00 H +ATOM 2347 HD12 LEU A 143 -1.144 -7.028 -25.699 1.00 0.00 H +ATOM 2348 HD13 LEU A 143 -0.012 -5.700 -25.451 1.00 0.00 H +ATOM 2349 CD2 LEU A 143 -0.711 -6.915 -23.027 1.00 0.00 C +ATOM 2350 HD21 LEU A 143 -1.660 -7.413 -23.225 1.00 0.00 H +ATOM 2351 HD22 LEU A 143 -0.403 -7.159 -22.010 1.00 0.00 H +ATOM 2352 HD23 LEU A 143 -0.994 -5.870 -23.156 1.00 0.00 H +ATOM 2353 C LEU A 143 3.050 -8.615 -24.477 1.00 0.00 C +ATOM 2354 O LEU A 143 3.759 -9.031 -23.540 1.00 0.00 O +ATOM 2355 N VAL A 144 3.352 -7.512 -25.217 1.00 0.00 N +ATOM 2356 H VAL A 144 2.747 -7.274 -25.989 1.00 0.00 H +ATOM 2357 CA VAL A 144 4.690 -6.852 -25.268 1.00 0.00 C +ATOM 2358 HA VAL A 144 5.077 -7.043 -24.267 1.00 0.00 H +ATOM 2359 CB VAL A 144 5.648 -7.434 -26.215 1.00 0.00 C +ATOM 2360 HB VAL A 144 5.195 -7.483 -27.205 1.00 0.00 H +ATOM 2361 CG1 VAL A 144 7.012 -6.699 -26.312 1.00 0.00 C +ATOM 2362 HG11 VAL A 144 6.985 -5.642 -26.576 1.00 0.00 H +ATOM 2363 HG12 VAL A 144 7.525 -6.806 -25.356 1.00 0.00 H +ATOM 2364 HG13 VAL A 144 7.669 -7.130 -27.068 1.00 0.00 H +ATOM 2365 CG2 VAL A 144 5.927 -8.869 -25.802 1.00 0.00 C +ATOM 2366 HG21 VAL A 144 5.091 -9.543 -25.985 1.00 0.00 H +ATOM 2367 HG22 VAL A 144 6.746 -9.262 -26.404 1.00 0.00 H +ATOM 2368 HG23 VAL A 144 6.180 -8.944 -24.745 1.00 0.00 H +ATOM 2369 C VAL A 144 4.540 -5.334 -25.511 1.00 0.00 C +ATOM 2370 O VAL A 144 3.652 -5.011 -26.329 1.00 0.00 O +ATOM 2371 N LYS A 145 5.346 -4.471 -24.848 1.00 0.00 N +ATOM 2372 H LYS A 145 6.067 -4.894 -24.281 1.00 0.00 H +ATOM 2373 CA LYS A 145 5.426 -3.006 -25.078 1.00 0.00 C +ATOM 2374 HA LYS A 145 5.132 -2.880 -26.120 1.00 0.00 H +ATOM 2375 CB LYS A 145 4.460 -2.233 -24.111 1.00 0.00 C +ATOM 2376 HB2 LYS A 145 4.779 -2.456 -23.093 1.00 0.00 H +ATOM 2377 HB3 LYS A 145 4.473 -1.179 -24.388 1.00 0.00 H +ATOM 2378 CG LYS A 145 3.038 -2.679 -24.179 1.00 0.00 C +ATOM 2379 HG2 LYS A 145 2.683 -3.014 -25.153 1.00 0.00 H +ATOM 2380 HG3 LYS A 145 2.907 -3.506 -23.481 1.00 0.00 H +ATOM 2381 CD LYS A 145 2.125 -1.615 -23.706 1.00 0.00 C +ATOM 2382 HD2 LYS A 145 2.525 -1.244 -22.762 1.00 0.00 H +ATOM 2383 HD3 LYS A 145 2.125 -0.931 -24.555 1.00 0.00 H +ATOM 2384 CE LYS A 145 0.774 -2.314 -23.568 1.00 0.00 C +ATOM 2385 HE2 LYS A 145 0.486 -2.611 -24.577 1.00 0.00 H +ATOM 2386 HE3 LYS A 145 0.864 -3.165 -22.893 1.00 0.00 H +ATOM 2387 NZ LYS A 145 -0.193 -1.389 -22.935 1.00 0.00 N +ATOM 2388 HZ1 LYS A 145 -1.059 -1.866 -22.729 1.00 0.00 H +ATOM 2389 HZ2 LYS A 145 0.172 -0.963 -22.095 1.00 0.00 H +ATOM 2390 HZ3 LYS A 145 -0.313 -0.596 -23.548 1.00 0.00 H +ATOM 2391 C LYS A 145 6.874 -2.500 -24.917 1.00 0.00 C +ATOM 2392 O LYS A 145 7.540 -2.639 -23.945 1.00 0.00 O +ATOM 2393 N VAL A 146 7.298 -1.734 -25.993 1.00 0.00 N +ATOM 2394 H VAL A 146 6.669 -1.401 -26.710 1.00 0.00 H +ATOM 2395 CA VAL A 146 8.437 -0.816 -25.961 1.00 0.00 C +ATOM 2396 HA VAL A 146 9.303 -1.451 -25.777 1.00 0.00 H +ATOM 2397 CB VAL A 146 8.651 -0.208 -27.333 1.00 0.00 C +ATOM 2398 HB VAL A 146 7.681 0.151 -27.677 1.00 0.00 H +ATOM 2399 CG1 VAL A 146 9.704 0.944 -27.281 1.00 0.00 C +ATOM 2400 HG11 VAL A 146 9.269 1.744 -26.682 1.00 0.00 H +ATOM 2401 HG12 VAL A 146 10.600 0.554 -26.798 1.00 0.00 H +ATOM 2402 HG13 VAL A 146 9.889 1.293 -28.297 1.00 0.00 H +ATOM 2403 CG2 VAL A 146 9.101 -1.333 -28.222 1.00 0.00 C +ATOM 2404 HG21 VAL A 146 9.434 -0.971 -29.195 1.00 0.00 H +ATOM 2405 HG22 VAL A 146 9.972 -1.847 -27.816 1.00 0.00 H +ATOM 2406 HG23 VAL A 146 8.252 -2.007 -28.338 1.00 0.00 H +ATOM 2407 C VAL A 146 8.172 0.220 -24.870 1.00 0.00 C +ATOM 2408 O VAL A 146 7.096 0.810 -24.817 1.00 0.00 O +ATOM 2409 N ALA A 147 9.184 0.430 -23.956 1.00 0.00 N +ATOM 2410 H ALA A 147 9.935 -0.233 -23.823 1.00 0.00 H +ATOM 2411 CA ALA A 147 9.243 1.614 -23.160 1.00 0.00 C +ATOM 2412 HA ALA A 147 8.362 2.227 -23.352 1.00 0.00 H +ATOM 2413 CB ALA A 147 9.112 1.180 -21.763 1.00 0.00 C +ATOM 2414 HB1 ALA A 147 8.748 1.988 -21.128 1.00 0.00 H +ATOM 2415 HB2 ALA A 147 8.345 0.409 -21.695 1.00 0.00 H +ATOM 2416 HB3 ALA A 147 10.048 0.800 -21.353 1.00 0.00 H +ATOM 2417 C ALA A 147 10.558 2.412 -23.316 1.00 0.00 C +ATOM 2418 O ALA A 147 11.444 2.014 -24.083 1.00 0.00 O +ATOM 2419 N ASP A 148 10.634 3.553 -22.609 1.00 0.00 N +ATOM 2420 H ASP A 148 9.773 3.815 -22.152 1.00 0.00 H +ATOM 2421 CA ASP A 148 11.851 4.342 -22.572 1.00 0.00 C +ATOM 2422 HA ASP A 148 12.768 3.755 -22.615 1.00 0.00 H +ATOM 2423 CB ASP A 148 11.983 5.211 -23.814 1.00 0.00 C +ATOM 2424 HB2 ASP A 148 11.788 4.663 -24.736 1.00 0.00 H +ATOM 2425 HB3 ASP A 148 11.117 5.868 -23.746 1.00 0.00 H +ATOM 2426 CG ASP A 148 13.226 5.984 -24.001 1.00 0.00 C +ATOM 2427 OD1 ASP A 148 14.210 5.715 -23.306 1.00 0.00 O +ATOM 2428 OD2 ASP A 148 13.283 6.898 -24.796 1.00 0.00 O +ATOM 2429 C ASP A 148 11.938 5.043 -21.235 1.00 0.00 C +ATOM 2430 O ASP A 148 11.228 6.041 -21.095 1.00 0.00 O +ATOM 2431 N PHE A 149 12.679 4.450 -20.264 1.00 0.00 N +ATOM 2432 H PHE A 149 13.230 3.619 -20.426 1.00 0.00 H +ATOM 2433 CA PHE A 149 12.741 4.895 -18.903 1.00 0.00 C +ATOM 2434 HA PHE A 149 11.715 5.167 -18.656 1.00 0.00 H +ATOM 2435 CB PHE A 149 13.067 3.669 -18.028 1.00 0.00 C +ATOM 2436 HB2 PHE A 149 14.094 3.404 -18.278 1.00 0.00 H +ATOM 2437 HB3 PHE A 149 12.942 3.815 -16.955 1.00 0.00 H +ATOM 2438 CG PHE A 149 12.293 2.465 -18.376 1.00 0.00 C +ATOM 2439 CD1 PHE A 149 13.020 1.271 -18.624 1.00 0.00 C +ATOM 2440 HD1 PHE A 149 14.095 1.251 -18.518 1.00 0.00 H +ATOM 2441 CE1 PHE A 149 12.288 0.110 -18.883 1.00 0.00 C +ATOM 2442 HE1 PHE A 149 12.845 -0.801 -19.048 1.00 0.00 H +ATOM 2443 CZ PHE A 149 10.896 0.072 -18.903 1.00 0.00 C +ATOM 2444 HZ PHE A 149 10.369 -0.791 -19.282 1.00 0.00 H +ATOM 2445 CE2 PHE A 149 10.229 1.268 -18.651 1.00 0.00 C +ATOM 2446 HE2 PHE A 149 9.152 1.339 -18.701 1.00 0.00 H +ATOM 2447 CD2 PHE A 149 10.884 2.398 -18.454 1.00 0.00 C +ATOM 2448 HD2 PHE A 149 10.370 3.339 -18.325 1.00 0.00 H +ATOM 2449 C PHE A 149 13.614 6.098 -18.476 1.00 0.00 C +ATOM 2450 O PHE A 149 13.405 6.558 -17.364 1.00 0.00 O +ATOM 2451 N GLY A 150 14.553 6.611 -19.331 1.00 0.00 N +ATOM 2452 H GLY A 150 14.580 6.111 -20.208 1.00 0.00 H +ATOM 2453 CA GLY A 150 15.574 7.638 -19.079 1.00 0.00 C +ATOM 2454 HA2 GLY A 150 15.700 8.046 -20.082 1.00 0.00 H +ATOM 2455 HA3 GLY A 150 15.154 8.477 -18.525 1.00 0.00 H +ATOM 2456 C GLY A 150 16.896 7.104 -18.544 1.00 0.00 C +ATOM 2457 O GLY A 150 17.714 7.884 -18.130 1.00 0.00 O +ATOM 2458 N LEU A 151 17.124 5.789 -18.583 1.00 0.00 N +ATOM 2459 H LEU A 151 16.386 5.266 -19.033 1.00 0.00 H +ATOM 2460 CA LEU A 151 18.186 5.041 -17.892 1.00 0.00 C +ATOM 2461 HA LEU A 151 18.021 4.845 -16.833 1.00 0.00 H +ATOM 2462 CB LEU A 151 18.246 3.621 -18.574 1.00 0.00 C +ATOM 2463 HB2 LEU A 151 18.295 3.728 -19.657 1.00 0.00 H +ATOM 2464 HB3 LEU A 151 19.161 3.110 -18.273 1.00 0.00 H +ATOM 2465 CG LEU A 151 16.962 2.641 -18.406 1.00 0.00 C +ATOM 2466 HG LEU A 151 16.140 3.201 -18.850 1.00 0.00 H +ATOM 2467 CD1 LEU A 151 17.088 1.322 -19.202 1.00 0.00 C +ATOM 2468 HD11 LEU A 151 16.141 0.782 -19.186 1.00 0.00 H +ATOM 2469 HD12 LEU A 151 17.477 1.587 -20.185 1.00 0.00 H +ATOM 2470 HD13 LEU A 151 17.748 0.640 -18.666 1.00 0.00 H +ATOM 2471 CD2 LEU A 151 16.676 2.258 -16.908 1.00 0.00 C +ATOM 2472 HD21 LEU A 151 16.719 3.088 -16.203 1.00 0.00 H +ATOM 2473 HD22 LEU A 151 15.751 1.685 -16.958 1.00 0.00 H +ATOM 2474 HD23 LEU A 151 17.472 1.547 -16.688 1.00 0.00 H +ATOM 2475 C LEU A 151 19.548 5.725 -17.948 1.00 0.00 C +ATOM 2476 O LEU A 151 20.306 5.761 -16.923 1.00 0.00 O +ATOM 2477 N SER A 152 19.871 6.290 -19.068 1.00 0.00 N +ATOM 2478 H SER A 152 19.147 6.349 -19.770 1.00 0.00 H +ATOM 2479 CA SER A 152 21.156 6.947 -19.461 1.00 0.00 C +ATOM 2480 HA SER A 152 22.019 6.328 -19.216 1.00 0.00 H +ATOM 2481 CB SER A 152 21.037 7.269 -20.912 1.00 0.00 C +ATOM 2482 HB2 SER A 152 22.021 7.403 -21.362 1.00 0.00 H +ATOM 2483 HB3 SER A 152 20.508 6.374 -21.239 1.00 0.00 H +ATOM 2484 OG SER A 152 20.153 8.319 -21.260 1.00 0.00 O +ATOM 2485 HG SER A 152 20.712 8.769 -21.898 1.00 0.00 H +ATOM 2486 C SER A 152 21.444 8.252 -18.748 1.00 0.00 C +ATOM 2487 O SER A 152 22.457 8.850 -18.998 1.00 0.00 O +ATOM 2488 N ARG A 153 20.509 8.692 -17.945 1.00 0.00 N +ATOM 2489 H ARG A 153 19.602 8.250 -17.989 1.00 0.00 H +ATOM 2490 CA ARG A 153 20.620 9.826 -17.045 1.00 0.00 C +ATOM 2491 HA ARG A 153 21.633 9.931 -16.656 1.00 0.00 H +ATOM 2492 CB ARG A 153 20.197 11.115 -17.786 1.00 0.00 C +ATOM 2493 HB2 ARG A 153 20.552 11.954 -17.188 1.00 0.00 H +ATOM 2494 HB3 ARG A 153 20.832 11.177 -18.670 1.00 0.00 H +ATOM 2495 CG ARG A 153 18.726 11.251 -18.200 1.00 0.00 C +ATOM 2496 HG2 ARG A 153 18.371 10.538 -18.944 1.00 0.00 H +ATOM 2497 HG3 ARG A 153 18.107 11.182 -17.305 1.00 0.00 H +ATOM 2498 CD ARG A 153 18.490 12.712 -18.710 1.00 0.00 C +ATOM 2499 HD2 ARG A 153 19.214 12.815 -19.518 1.00 0.00 H +ATOM 2500 HD3 ARG A 153 17.529 12.657 -19.222 1.00 0.00 H +ATOM 2501 NE ARG A 153 18.528 13.835 -17.759 1.00 0.00 N +ATOM 2502 HE ARG A 153 18.142 13.603 -16.855 1.00 0.00 H +ATOM 2503 CZ ARG A 153 18.787 15.079 -18.029 1.00 0.00 C +ATOM 2504 NH1 ARG A 153 18.969 15.453 -19.248 1.00 0.00 N +ATOM 2505 HH11 ARG A 153 18.617 14.791 -19.925 1.00 0.00 H +ATOM 2506 HH12 ARG A 153 19.555 16.231 -19.514 1.00 0.00 H +ATOM 2507 NH2 ARG A 153 19.001 16.049 -17.156 1.00 0.00 N +ATOM 2508 HH21 ARG A 153 18.891 15.863 -16.170 1.00 0.00 H +ATOM 2509 HH22 ARG A 153 19.013 16.988 -17.527 1.00 0.00 H +ATOM 2510 C ARG A 153 19.884 9.619 -15.721 1.00 0.00 C +ATOM 2511 O ARG A 153 19.949 10.499 -14.905 1.00 0.00 O +ATOM 2512 N LEU A 154 19.301 8.420 -15.602 1.00 0.00 N +ATOM 2513 H LEU A 154 19.584 7.680 -16.229 1.00 0.00 H +ATOM 2514 CA LEU A 154 18.442 8.118 -14.408 1.00 0.00 C +ATOM 2515 HA LEU A 154 18.590 8.842 -13.606 1.00 0.00 H +ATOM 2516 CB LEU A 154 16.959 8.270 -14.802 1.00 0.00 C +ATOM 2517 HB2 LEU A 154 16.843 7.661 -15.698 1.00 0.00 H +ATOM 2518 HB3 LEU A 154 16.428 7.927 -13.914 1.00 0.00 H +ATOM 2519 CG LEU A 154 16.296 9.697 -15.164 1.00 0.00 C +ATOM 2520 HG LEU A 154 16.769 10.193 -16.012 1.00 0.00 H +ATOM 2521 CD1 LEU A 154 14.752 9.652 -15.394 1.00 0.00 C +ATOM 2522 HD11 LEU A 154 14.353 10.640 -15.625 1.00 0.00 H +ATOM 2523 HD12 LEU A 154 14.502 8.992 -16.225 1.00 0.00 H +ATOM 2524 HD13 LEU A 154 14.237 9.226 -14.533 1.00 0.00 H +ATOM 2525 CD2 LEU A 154 16.489 10.585 -13.945 1.00 0.00 C +ATOM 2526 HD21 LEU A 154 15.979 10.184 -13.070 1.00 0.00 H +ATOM 2527 HD22 LEU A 154 17.486 10.969 -13.726 1.00 0.00 H +ATOM 2528 HD23 LEU A 154 16.003 11.530 -14.187 1.00 0.00 H +ATOM 2529 C LEU A 154 18.669 6.757 -13.626 1.00 0.00 C +ATOM 2530 O LEU A 154 17.925 6.446 -12.694 1.00 0.00 O +ATOM 2531 N MET A 155 19.619 5.945 -14.103 1.00 0.00 N +ATOM 2532 H MET A 155 20.241 6.316 -14.807 1.00 0.00 H +ATOM 2533 CA MET A 155 19.960 4.551 -13.575 1.00 0.00 C +ATOM 2534 HA MET A 155 19.472 4.422 -12.609 1.00 0.00 H +ATOM 2535 CB MET A 155 19.460 3.481 -14.517 1.00 0.00 C +ATOM 2536 HB2 MET A 155 18.498 3.855 -14.866 1.00 0.00 H +ATOM 2537 HB3 MET A 155 20.014 3.330 -15.443 1.00 0.00 H +ATOM 2538 CG MET A 155 19.223 2.117 -13.856 1.00 0.00 C +ATOM 2539 HG2 MET A 155 18.989 2.363 -12.821 1.00 0.00 H +ATOM 2540 HG3 MET A 155 18.384 1.619 -14.344 1.00 0.00 H +ATOM 2541 SD MET A 155 20.835 1.245 -13.893 1.00 0.00 S +ATOM 2542 CE MET A 155 20.650 0.017 -12.532 1.00 0.00 C +ATOM 2543 HE1 MET A 155 20.752 -1.017 -12.862 1.00 0.00 H +ATOM 2544 HE2 MET A 155 21.515 0.307 -11.935 1.00 0.00 H +ATOM 2545 HE3 MET A 155 19.721 0.225 -12.002 1.00 0.00 H +ATOM 2546 C MET A 155 21.484 4.423 -13.385 1.00 0.00 C +ATOM 2547 O MET A 155 22.266 5.134 -14.053 1.00 0.00 O +ATOM 2548 N THR A 156 21.843 3.895 -12.240 1.00 0.00 N +ATOM 2549 H THR A 156 21.061 3.566 -11.692 1.00 0.00 H +ATOM 2550 CA THR A 156 23.122 4.145 -11.544 1.00 0.00 C +ATOM 2551 HA THR A 156 23.598 5.032 -11.963 1.00 0.00 H +ATOM 2552 CB THR A 156 22.946 4.418 -10.033 1.00 0.00 C +ATOM 2553 HB THR A 156 23.938 4.632 -9.636 1.00 0.00 H +ATOM 2554 CG2 THR A 156 22.106 5.635 -9.863 1.00 0.00 C +ATOM 2555 HG21 THR A 156 21.940 5.856 -8.809 1.00 0.00 H +ATOM 2556 HG22 THR A 156 22.645 6.508 -10.229 1.00 0.00 H +ATOM 2557 HG23 THR A 156 21.182 5.433 -10.405 1.00 0.00 H +ATOM 2558 OG1 THR A 156 22.341 3.348 -9.374 1.00 0.00 O +ATOM 2559 HG1 THR A 156 22.498 3.545 -8.447 1.00 0.00 H +ATOM 2560 C THR A 156 24.254 3.000 -11.881 1.00 0.00 C +ATOM 2561 O THR A 156 25.378 3.013 -11.377 1.00 0.00 O +ATOM 2562 N GLY A 157 23.901 2.075 -12.823 1.00 0.00 N +ATOM 2563 H GLY A 157 22.965 2.072 -13.202 1.00 0.00 H +ATOM 2564 CA GLY A 157 24.888 1.194 -13.303 1.00 0.00 C +ATOM 2565 HA2 GLY A 157 25.520 0.808 -12.503 1.00 0.00 H +ATOM 2566 HA3 GLY A 157 24.399 0.342 -13.776 1.00 0.00 H +ATOM 2567 C GLY A 157 25.726 1.871 -14.331 1.00 0.00 C +ATOM 2568 O GLY A 157 25.676 3.076 -14.552 1.00 0.00 O +ATOM 2569 N ASP A 158 26.404 1.015 -15.077 1.00 0.00 N +ATOM 2570 H ASP A 158 26.304 0.060 -14.764 1.00 0.00 H +ATOM 2571 CA ASP A 158 27.439 1.352 -16.046 1.00 0.00 C +ATOM 2572 HA ASP A 158 27.742 2.399 -16.043 1.00 0.00 H +ATOM 2573 CB ASP A 158 28.839 0.593 -15.684 1.00 0.00 C +ATOM 2574 HB2 ASP A 158 28.699 -0.446 -15.985 1.00 0.00 H +ATOM 2575 HB3 ASP A 158 29.569 1.118 -16.299 1.00 0.00 H +ATOM 2576 CG ASP A 158 29.211 0.821 -14.309 1.00 0.00 C +ATOM 2577 OD1 ASP A 158 29.869 -0.090 -13.749 1.00 0.00 O +ATOM 2578 OD2 ASP A 158 28.984 1.852 -13.643 1.00 0.00 O +ATOM 2579 C ASP A 158 27.104 1.107 -17.479 1.00 0.00 C +ATOM 2580 O ASP A 158 28.036 1.263 -18.285 1.00 0.00 O +ATOM 2581 N THR A 159 25.906 0.700 -17.886 1.00 0.00 N +ATOM 2582 H THR A 159 25.245 0.592 -17.131 1.00 0.00 H +ATOM 2583 CA THR A 159 25.534 0.595 -19.311 1.00 0.00 C +ATOM 2584 HA THR A 159 25.977 -0.322 -19.699 1.00 0.00 H +ATOM 2585 CB THR A 159 23.966 0.472 -19.445 1.00 0.00 C +ATOM 2586 HB THR A 159 23.530 1.261 -18.833 1.00 0.00 H +ATOM 2587 CG2 THR A 159 23.535 0.431 -20.865 1.00 0.00 C +ATOM 2588 HG21 THR A 159 24.090 -0.324 -21.422 1.00 0.00 H +ATOM 2589 HG22 THR A 159 22.522 0.066 -21.032 1.00 0.00 H +ATOM 2590 HG23 THR A 159 23.685 1.428 -21.280 1.00 0.00 H +ATOM 2591 OG1 THR A 159 23.592 -0.769 -18.849 1.00 0.00 O +ATOM 2592 HG1 THR A 159 23.688 -0.561 -17.917 1.00 0.00 H +ATOM 2593 C THR A 159 26.009 1.760 -20.186 1.00 0.00 C +ATOM 2594 O THR A 159 26.389 1.571 -21.342 1.00 0.00 O +ATOM 2595 N TYR A 160 25.922 3.029 -19.710 1.00 0.00 N +ATOM 2596 H TYR A 160 25.632 3.219 -18.761 1.00 0.00 H +ATOM 2597 CA TYR A 160 26.023 4.210 -20.564 1.00 0.00 C +ATOM 2598 HA TYR A 160 25.833 3.892 -21.589 1.00 0.00 H +ATOM 2599 CB TYR A 160 24.913 5.191 -20.291 1.00 0.00 C +ATOM 2600 HB2 TYR A 160 24.980 5.725 -19.343 1.00 0.00 H +ATOM 2601 HB3 TYR A 160 25.032 5.985 -21.028 1.00 0.00 H +ATOM 2602 CG TYR A 160 23.573 4.483 -20.302 1.00 0.00 C +ATOM 2603 CD1 TYR A 160 22.964 3.927 -19.189 1.00 0.00 C +ATOM 2604 HD1 TYR A 160 23.330 4.141 -18.195 1.00 0.00 H +ATOM 2605 CE1 TYR A 160 21.736 3.174 -19.198 1.00 0.00 C +ATOM 2606 HE1 TYR A 160 21.227 2.851 -18.302 1.00 0.00 H +ATOM 2607 CZ TYR A 160 21.230 2.912 -20.470 1.00 0.00 C +ATOM 2608 OH TYR A 160 20.185 2.013 -20.586 1.00 0.00 O +ATOM 2609 HH TYR A 160 19.656 2.305 -21.332 1.00 0.00 H +ATOM 2610 CE2 TYR A 160 21.780 3.515 -21.666 1.00 0.00 C +ATOM 2611 HE2 TYR A 160 21.350 3.211 -22.609 1.00 0.00 H +ATOM 2612 CD2 TYR A 160 22.922 4.332 -21.509 1.00 0.00 C +ATOM 2613 HD2 TYR A 160 23.396 4.689 -22.412 1.00 0.00 H +ATOM 2614 C TYR A 160 27.456 4.778 -20.401 1.00 0.00 C +ATOM 2615 O TYR A 160 27.696 5.652 -19.596 1.00 0.00 O +ATOM 2616 N THR A 161 28.401 4.071 -21.103 1.00 0.00 N +ATOM 2617 H THR A 161 28.076 3.275 -21.633 1.00 0.00 H +ATOM 2618 CA THR A 161 29.876 4.351 -21.130 1.00 0.00 C +ATOM 2619 HA THR A 161 30.159 4.312 -20.078 1.00 0.00 H +ATOM 2620 CB THR A 161 30.616 3.211 -21.816 1.00 0.00 C +ATOM 2621 HB THR A 161 30.323 3.138 -22.863 1.00 0.00 H +ATOM 2622 CG2 THR A 161 32.167 3.484 -21.709 1.00 0.00 C +ATOM 2623 HG21 THR A 161 32.499 3.624 -20.680 1.00 0.00 H +ATOM 2624 HG22 THR A 161 32.706 2.569 -21.955 1.00 0.00 H +ATOM 2625 HG23 THR A 161 32.524 4.288 -22.353 1.00 0.00 H +ATOM 2626 OG1 THR A 161 30.455 2.023 -21.258 1.00 0.00 O +ATOM 2627 HG1 THR A 161 30.767 2.040 -20.350 1.00 0.00 H +ATOM 2628 C THR A 161 30.125 5.737 -21.642 1.00 0.00 C +ATOM 2629 O THR A 161 29.467 6.108 -22.649 1.00 0.00 O +ATOM 2630 N ALA A 162 30.994 6.569 -21.083 1.00 0.00 N +ATOM 2631 H ALA A 162 31.634 6.308 -20.347 1.00 0.00 H +ATOM 2632 CA ALA A 162 31.131 7.959 -21.391 1.00 0.00 C +ATOM 2633 HA ALA A 162 30.274 8.289 -21.978 1.00 0.00 H +ATOM 2634 CB ALA A 162 31.117 8.739 -20.090 1.00 0.00 C +ATOM 2635 HB1 ALA A 162 30.130 8.942 -19.676 1.00 0.00 H +ATOM 2636 HB2 ALA A 162 31.691 8.203 -19.334 1.00 0.00 H +ATOM 2637 HB3 ALA A 162 31.401 9.782 -20.226 1.00 0.00 H +ATOM 2638 C ALA A 162 32.473 8.253 -22.084 1.00 0.00 C +ATOM 2639 O ALA A 162 33.510 7.978 -21.474 1.00 0.00 O +ATOM 2640 N HIS A 163 32.481 8.860 -23.282 1.00 0.00 N +ATOM 2641 H HIS A 163 31.619 9.327 -23.527 1.00 0.00 H +ATOM 2642 CA HIS A 163 33.730 9.323 -24.004 1.00 0.00 C +ATOM 2643 HA HIS A 163 34.651 9.118 -23.458 1.00 0.00 H +ATOM 2644 CB HIS A 163 33.931 8.476 -25.313 1.00 0.00 C +ATOM 2645 HB2 HIS A 163 33.995 7.404 -25.121 1.00 0.00 H +ATOM 2646 HB3 HIS A 163 33.032 8.500 -25.928 1.00 0.00 H +ATOM 2647 CG HIS A 163 35.174 8.773 -26.134 1.00 0.00 C +ATOM 2648 ND1 HIS A 163 36.277 7.957 -26.059 1.00 0.00 N +ATOM 2649 CE1 HIS A 163 37.266 8.502 -26.748 1.00 0.00 C +ATOM 2650 HE1 HIS A 163 38.244 8.045 -26.720 1.00 0.00 H +ATOM 2651 NE2 HIS A 163 36.801 9.647 -27.298 1.00 0.00 N +ATOM 2652 HE2 HIS A 163 37.346 10.383 -27.724 1.00 0.00 H +ATOM 2653 CD2 HIS A 163 35.461 9.880 -26.878 1.00 0.00 C +ATOM 2654 HD2 HIS A 163 34.899 10.790 -27.030 1.00 0.00 H +ATOM 2655 C HIS A 163 33.623 10.775 -24.275 1.00 0.00 C +ATOM 2656 O HIS A 163 32.689 11.193 -25.018 1.00 0.00 O +ATOM 2657 N ALA A 164 34.564 11.536 -23.722 1.00 0.00 N +ATOM 2658 H ALA A 164 35.304 11.198 -23.124 1.00 0.00 H +ATOM 2659 CA ALA A 164 34.724 13.039 -23.891 1.00 0.00 C +ATOM 2660 HA ALA A 164 35.245 13.379 -22.996 1.00 0.00 H +ATOM 2661 CB ALA A 164 35.366 13.365 -25.221 1.00 0.00 C +ATOM 2662 HB1 ALA A 164 34.860 12.906 -26.070 1.00 0.00 H +ATOM 2663 HB2 ALA A 164 35.505 14.436 -25.373 1.00 0.00 H +ATOM 2664 HB3 ALA A 164 36.361 12.931 -25.127 1.00 0.00 H +ATOM 2665 C ALA A 164 33.349 13.733 -23.594 1.00 0.00 C +ATOM 2666 O ALA A 164 32.744 14.460 -24.408 1.00 0.00 O +ATOM 2667 N GLY A 165 32.709 13.315 -22.478 1.00 0.00 N +ATOM 2668 H GLY A 165 33.176 12.649 -21.880 1.00 0.00 H +ATOM 2669 CA GLY A 165 31.430 13.918 -21.987 1.00 0.00 C +ATOM 2670 HA2 GLY A 165 31.541 13.902 -20.903 1.00 0.00 H +ATOM 2671 HA3 GLY A 165 31.387 14.985 -22.204 1.00 0.00 H +ATOM 2672 C GLY A 165 30.110 13.435 -22.503 1.00 0.00 C +ATOM 2673 O GLY A 165 29.128 13.697 -21.808 1.00 0.00 O +ATOM 2674 N ALA A 166 29.932 12.742 -23.657 1.00 0.00 N +ATOM 2675 H ALA A 166 30.729 12.588 -24.258 1.00 0.00 H +ATOM 2676 CA ALA A 166 28.720 12.092 -24.142 1.00 0.00 C +ATOM 2677 HA ALA A 166 27.945 12.406 -23.443 1.00 0.00 H +ATOM 2678 CB ALA A 166 28.351 12.518 -25.583 1.00 0.00 C +ATOM 2679 HB1 ALA A 166 28.367 13.600 -25.715 1.00 0.00 H +ATOM 2680 HB2 ALA A 166 29.135 11.983 -26.119 1.00 0.00 H +ATOM 2681 HB3 ALA A 166 27.370 12.114 -25.832 1.00 0.00 H +ATOM 2682 C ALA A 166 28.608 10.584 -23.833 1.00 0.00 C +ATOM 2683 O ALA A 166 29.630 9.899 -23.759 1.00 0.00 O +ATOM 2684 N LYS A 167 27.419 10.021 -23.596 1.00 0.00 N +ATOM 2685 H LYS A 167 26.562 10.528 -23.766 1.00 0.00 H +ATOM 2686 CA LYS A 167 27.258 8.654 -23.122 1.00 0.00 C +ATOM 2687 HA LYS A 167 28.159 8.059 -22.970 1.00 0.00 H +ATOM 2688 CB LYS A 167 26.550 8.804 -21.774 1.00 0.00 C +ATOM 2689 HB2 LYS A 167 25.833 9.625 -21.779 1.00 0.00 H +ATOM 2690 HB3 LYS A 167 25.942 7.927 -21.555 1.00 0.00 H +ATOM 2691 CG LYS A 167 27.620 9.047 -20.633 1.00 0.00 C +ATOM 2692 HG2 LYS A 167 28.156 8.102 -20.550 1.00 0.00 H +ATOM 2693 HG3 LYS A 167 28.307 9.852 -20.891 1.00 0.00 H +ATOM 2694 CD LYS A 167 26.956 9.405 -19.267 1.00 0.00 C +ATOM 2695 HD2 LYS A 167 27.813 9.387 -18.594 1.00 0.00 H +ATOM 2696 HD3 LYS A 167 26.550 10.416 -19.275 1.00 0.00 H +ATOM 2697 CE LYS A 167 25.914 8.396 -18.799 1.00 0.00 C +ATOM 2698 HE2 LYS A 167 25.009 8.550 -19.386 1.00 0.00 H +ATOM 2699 HE3 LYS A 167 26.263 7.364 -18.810 1.00 0.00 H +ATOM 2700 NZ LYS A 167 25.399 8.663 -17.502 1.00 0.00 N +ATOM 2701 HZ1 LYS A 167 24.749 7.932 -17.252 1.00 0.00 H +ATOM 2702 HZ2 LYS A 167 26.094 8.653 -16.770 1.00 0.00 H +ATOM 2703 HZ3 LYS A 167 24.946 9.556 -17.371 1.00 0.00 H +ATOM 2704 C LYS A 167 26.471 7.844 -24.107 1.00 0.00 C +ATOM 2705 O LYS A 167 25.509 8.341 -24.736 1.00 0.00 O +ATOM 2706 N PHE A 168 26.856 6.579 -24.195 1.00 0.00 N +ATOM 2707 H PHE A 168 27.573 6.261 -23.558 1.00 0.00 H +ATOM 2708 CA PHE A 168 26.394 5.590 -25.160 1.00 0.00 C +ATOM 2709 HA PHE A 168 25.422 5.869 -25.566 1.00 0.00 H +ATOM 2710 CB PHE A 168 27.477 5.594 -26.288 1.00 0.00 C +ATOM 2711 HB2 PHE A 168 28.382 5.053 -26.015 1.00 0.00 H +ATOM 2712 HB3 PHE A 168 27.035 5.049 -27.122 1.00 0.00 H +ATOM 2713 CG PHE A 168 27.930 6.951 -26.873 1.00 0.00 C +ATOM 2714 CD1 PHE A 168 29.304 7.391 -26.790 1.00 0.00 C +ATOM 2715 HD1 PHE A 168 30.075 6.685 -26.518 1.00 0.00 H +ATOM 2716 CE1 PHE A 168 29.719 8.641 -27.246 1.00 0.00 C +ATOM 2717 HE1 PHE A 168 30.743 8.975 -27.170 1.00 0.00 H +ATOM 2718 CZ PHE A 168 28.695 9.498 -27.667 1.00 0.00 C +ATOM 2719 HZ PHE A 168 29.102 10.435 -28.017 1.00 0.00 H +ATOM 2720 CE2 PHE A 168 27.434 9.024 -27.980 1.00 0.00 C +ATOM 2721 HE2 PHE A 168 26.721 9.770 -28.298 1.00 0.00 H +ATOM 2722 CD2 PHE A 168 27.008 7.809 -27.457 1.00 0.00 C +ATOM 2723 HD2 PHE A 168 25.965 7.536 -27.389 1.00 0.00 H +ATOM 2724 C PHE A 168 26.242 4.132 -24.546 1.00 0.00 C +ATOM 2725 O PHE A 168 27.187 3.779 -23.854 1.00 0.00 O +ATOM 2726 N PRO A 169 25.206 3.313 -24.927 1.00 0.00 N +ATOM 2727 CD PRO A 169 24.005 3.776 -25.559 1.00 0.00 C +ATOM 2728 HD2 PRO A 169 24.018 4.237 -26.546 1.00 0.00 H +ATOM 2729 HD3 PRO A 169 23.575 4.499 -24.866 1.00 0.00 H +ATOM 2730 CG PRO A 169 23.115 2.620 -25.544 1.00 0.00 C +ATOM 2731 HG2 PRO A 169 23.118 2.192 -26.546 1.00 0.00 H +ATOM 2732 HG3 PRO A 169 22.067 2.834 -25.335 1.00 0.00 H +ATOM 2733 CB PRO A 169 23.717 1.584 -24.577 1.00 0.00 C +ATOM 2734 HB2 PRO A 169 23.471 0.571 -24.898 1.00 0.00 H +ATOM 2735 HB3 PRO A 169 23.422 1.743 -23.540 1.00 0.00 H +ATOM 2736 CA PRO A 169 25.194 1.872 -24.708 1.00 0.00 C +ATOM 2737 HA PRO A 169 25.615 1.551 -23.755 1.00 0.00 H +ATOM 2738 C PRO A 169 25.892 1.171 -25.942 1.00 0.00 C +ATOM 2739 O PRO A 169 25.325 0.868 -27.027 1.00 0.00 O +ATOM 2740 N ILE A 170 27.255 1.304 -25.966 1.00 0.00 N +ATOM 2741 H ILE A 170 27.746 1.687 -25.171 1.00 0.00 H +ATOM 2742 CA ILE A 170 28.192 1.190 -27.146 1.00 0.00 C +ATOM 2743 HA ILE A 170 28.051 2.030 -27.826 1.00 0.00 H +ATOM 2744 CB ILE A 170 29.647 1.309 -26.765 1.00 0.00 C +ATOM 2745 HB ILE A 170 29.796 0.493 -26.058 1.00 0.00 H +ATOM 2746 CG2 ILE A 170 30.647 1.077 -27.961 1.00 0.00 C +ATOM 2747 HG21 ILE A 170 30.550 1.958 -28.596 1.00 0.00 H +ATOM 2748 HG22 ILE A 170 31.692 0.981 -27.668 1.00 0.00 H +ATOM 2749 HG23 ILE A 170 30.380 0.211 -28.566 1.00 0.00 H +ATOM 2750 CG1 ILE A 170 30.046 2.705 -26.038 1.00 0.00 C +ATOM 2751 HG12 ILE A 170 29.894 3.470 -26.799 1.00 0.00 H +ATOM 2752 HG13 ILE A 170 29.375 2.919 -25.205 1.00 0.00 H +ATOM 2753 CD1 ILE A 170 31.514 2.847 -25.497 1.00 0.00 C +ATOM 2754 HD11 ILE A 170 31.555 3.688 -24.804 1.00 0.00 H +ATOM 2755 HD12 ILE A 170 31.840 1.923 -25.020 1.00 0.00 H +ATOM 2756 HD13 ILE A 170 32.075 2.915 -26.429 1.00 0.00 H +ATOM 2757 C ILE A 170 27.981 -0.097 -27.973 1.00 0.00 C +ATOM 2758 O ILE A 170 27.867 -0.034 -29.169 1.00 0.00 O +ATOM 2759 N LYS A 171 27.886 -1.296 -27.333 1.00 0.00 N +ATOM 2760 H LYS A 171 27.966 -1.286 -26.326 1.00 0.00 H +ATOM 2761 CA LYS A 171 27.697 -2.648 -27.980 1.00 0.00 C +ATOM 2762 HA LYS A 171 28.491 -2.773 -28.715 1.00 0.00 H +ATOM 2763 CB LYS A 171 27.950 -3.706 -26.931 1.00 0.00 C +ATOM 2764 HB2 LYS A 171 27.275 -3.568 -26.086 1.00 0.00 H +ATOM 2765 HB3 LYS A 171 27.782 -4.695 -27.356 1.00 0.00 H +ATOM 2766 CG LYS A 171 29.389 -3.724 -26.396 1.00 0.00 C +ATOM 2767 HG2 LYS A 171 30.121 -3.612 -27.196 1.00 0.00 H +ATOM 2768 HG3 LYS A 171 29.368 -2.831 -25.772 1.00 0.00 H +ATOM 2769 CD LYS A 171 29.852 -4.966 -25.651 1.00 0.00 C +ATOM 2770 HD2 LYS A 171 29.025 -5.250 -25.001 1.00 0.00 H +ATOM 2771 HD3 LYS A 171 30.013 -5.773 -26.366 1.00 0.00 H +ATOM 2772 CE LYS A 171 31.189 -4.784 -24.844 1.00 0.00 C +ATOM 2773 HE2 LYS A 171 31.975 -4.352 -25.463 1.00 0.00 H +ATOM 2774 HE3 LYS A 171 31.033 -4.082 -24.025 1.00 0.00 H +ATOM 2775 NZ LYS A 171 31.636 -6.044 -24.342 1.00 0.00 N +ATOM 2776 HZ1 LYS A 171 31.927 -6.633 -25.109 1.00 0.00 H +ATOM 2777 HZ2 LYS A 171 32.493 -5.799 -23.868 1.00 0.00 H +ATOM 2778 HZ3 LYS A 171 30.937 -6.459 -23.743 1.00 0.00 H +ATOM 2779 C LYS A 171 26.287 -2.798 -28.676 1.00 0.00 C +ATOM 2780 O LYS A 171 26.252 -3.610 -29.632 1.00 0.00 O +ATOM 2781 N TRP A 172 25.314 -2.052 -28.270 1.00 0.00 N +ATOM 2782 H TRP A 172 25.454 -1.487 -27.445 1.00 0.00 H +ATOM 2783 CA TRP A 172 24.036 -1.728 -28.926 1.00 0.00 C +ATOM 2784 HA TRP A 172 23.726 -2.597 -29.506 1.00 0.00 H +ATOM 2785 CB TRP A 172 22.840 -1.616 -27.924 1.00 0.00 C +ATOM 2786 HB2 TRP A 172 23.037 -0.753 -27.288 1.00 0.00 H +ATOM 2787 HB3 TRP A 172 21.896 -1.347 -28.398 1.00 0.00 H +ATOM 2788 CG TRP A 172 22.572 -2.771 -27.080 1.00 0.00 C +ATOM 2789 CD1 TRP A 172 21.527 -3.639 -27.241 1.00 0.00 C +ATOM 2790 HD1 TRP A 172 20.730 -3.445 -27.944 1.00 0.00 H +ATOM 2791 NE1 TRP A 172 21.566 -4.596 -26.251 1.00 0.00 N +ATOM 2792 HE1 TRP A 172 20.841 -5.253 -26.003 1.00 0.00 H +ATOM 2793 CE2 TRP A 172 22.596 -4.308 -25.361 1.00 0.00 C +ATOM 2794 CZ2 TRP A 172 22.956 -4.912 -24.151 1.00 0.00 C +ATOM 2795 HZ2 TRP A 172 22.389 -5.743 -23.758 1.00 0.00 H +ATOM 2796 CH2 TRP A 172 23.992 -4.377 -23.423 1.00 0.00 C +ATOM 2797 HH2 TRP A 172 24.427 -4.932 -22.605 1.00 0.00 H +ATOM 2798 CZ3 TRP A 172 24.712 -3.284 -23.913 1.00 0.00 C +ATOM 2799 HZ3 TRP A 172 25.630 -2.940 -23.458 1.00 0.00 H +ATOM 2800 CE3 TRP A 172 24.369 -2.694 -25.147 1.00 0.00 C +ATOM 2801 HE3 TRP A 172 24.765 -1.722 -25.399 1.00 0.00 H +ATOM 2802 CD2 TRP A 172 23.304 -3.214 -25.923 1.00 0.00 C +ATOM 2803 C TRP A 172 23.997 -0.498 -29.867 1.00 0.00 C +ATOM 2804 O TRP A 172 22.941 -0.206 -30.451 1.00 0.00 O +ATOM 2805 N THR A 173 25.021 0.358 -29.963 1.00 0.00 N +ATOM 2806 H THR A 173 25.949 0.165 -29.615 1.00 0.00 H +ATOM 2807 CA THR A 173 24.908 1.627 -30.797 1.00 0.00 C +ATOM 2808 HA THR A 173 23.850 1.833 -30.962 1.00 0.00 H +ATOM 2809 CB THR A 173 25.510 2.788 -30.053 1.00 0.00 C +ATOM 2810 HB THR A 173 26.549 2.568 -29.808 1.00 0.00 H +ATOM 2811 CG2 THR A 173 25.307 4.003 -30.939 1.00 0.00 C +ATOM 2812 HG21 THR A 173 24.329 4.150 -31.396 1.00 0.00 H +ATOM 2813 HG22 THR A 173 25.431 4.828 -30.237 1.00 0.00 H +ATOM 2814 HG23 THR A 173 25.986 3.981 -31.791 1.00 0.00 H +ATOM 2815 OG1 THR A 173 24.822 2.969 -28.849 1.00 0.00 O +ATOM 2816 HG1 THR A 173 24.819 2.104 -28.433 1.00 0.00 H +ATOM 2817 C THR A 173 25.433 1.531 -32.200 1.00 0.00 C +ATOM 2818 O THR A 173 26.492 0.902 -32.417 1.00 0.00 O +ATOM 2819 N ALA A 174 24.858 2.163 -33.166 1.00 0.00 N +ATOM 2820 H ALA A 174 23.984 2.601 -32.909 1.00 0.00 H +ATOM 2821 CA ALA A 174 25.441 2.442 -34.478 1.00 0.00 C +ATOM 2822 HA ALA A 174 25.586 1.431 -34.858 1.00 0.00 H +ATOM 2823 CB ALA A 174 24.365 3.193 -35.278 1.00 0.00 C +ATOM 2824 HB1 ALA A 174 23.570 2.535 -35.628 1.00 0.00 H +ATOM 2825 HB2 ALA A 174 24.030 4.035 -34.672 1.00 0.00 H +ATOM 2826 HB3 ALA A 174 24.913 3.579 -36.138 1.00 0.00 H +ATOM 2827 C ALA A 174 26.847 3.146 -34.544 1.00 0.00 C +ATOM 2828 O ALA A 174 27.121 4.052 -33.730 1.00 0.00 O +ATOM 2829 N PRO A 175 27.761 2.743 -35.495 1.00 0.00 N +ATOM 2830 CD PRO A 175 27.565 1.647 -36.384 1.00 0.00 C +ATOM 2831 HD2 PRO A 175 26.900 1.797 -37.235 1.00 0.00 H +ATOM 2832 HD3 PRO A 175 27.180 0.857 -35.738 1.00 0.00 H +ATOM 2833 CG PRO A 175 28.925 1.252 -36.922 1.00 0.00 C +ATOM 2834 HG2 PRO A 175 28.945 0.885 -37.948 1.00 0.00 H +ATOM 2835 HG3 PRO A 175 29.361 0.564 -36.198 1.00 0.00 H +ATOM 2836 CB PRO A 175 29.740 2.647 -36.802 1.00 0.00 C +ATOM 2837 HB2 PRO A 175 29.569 3.125 -37.767 1.00 0.00 H +ATOM 2838 HB3 PRO A 175 30.769 2.401 -36.542 1.00 0.00 H +ATOM 2839 CA PRO A 175 29.078 3.405 -35.586 1.00 0.00 C +ATOM 2840 HA PRO A 175 29.588 3.159 -34.655 1.00 0.00 H +ATOM 2841 C PRO A 175 29.090 4.843 -35.831 1.00 0.00 C +ATOM 2842 O PRO A 175 29.737 5.583 -35.112 1.00 0.00 O +ATOM 2843 N GLU A 176 28.287 5.320 -36.829 1.00 0.00 N +ATOM 2844 H GLU A 176 27.720 4.659 -37.340 1.00 0.00 H +ATOM 2845 CA GLU A 176 28.147 6.737 -37.183 1.00 0.00 C +ATOM 2846 HA GLU A 176 29.131 7.182 -37.332 1.00 0.00 H +ATOM 2847 CB GLU A 176 27.425 6.867 -38.538 1.00 0.00 C +ATOM 2848 HB2 GLU A 176 27.527 7.907 -38.848 1.00 0.00 H +ATOM 2849 HB3 GLU A 176 27.982 6.307 -39.289 1.00 0.00 H +ATOM 2850 CG GLU A 176 25.881 6.640 -38.458 1.00 0.00 C +ATOM 2851 HG2 GLU A 176 25.474 6.968 -37.502 1.00 0.00 H +ATOM 2852 HG3 GLU A 176 25.390 7.178 -39.269 1.00 0.00 H +ATOM 2853 CD GLU A 176 25.508 5.168 -38.547 1.00 0.00 C +ATOM 2854 OE1 GLU A 176 26.354 4.249 -38.795 1.00 0.00 O +ATOM 2855 OE2 GLU A 176 24.308 4.850 -38.641 1.00 0.00 O +ATOM 2856 C GLU A 176 27.517 7.478 -36.003 1.00 0.00 C +ATOM 2857 O GLU A 176 27.897 8.660 -35.899 1.00 0.00 O +ATOM 2858 N SER A 177 26.740 6.842 -35.090 1.00 0.00 N +ATOM 2859 H SER A 177 26.394 5.930 -35.350 1.00 0.00 H +ATOM 2860 CA SER A 177 26.193 7.466 -33.888 1.00 0.00 C +ATOM 2861 HA SER A 177 25.711 8.425 -34.079 1.00 0.00 H +ATOM 2862 CB SER A 177 25.087 6.584 -33.301 1.00 0.00 C +ATOM 2863 HB2 SER A 177 25.358 5.537 -33.167 1.00 0.00 H +ATOM 2864 HB3 SER A 177 24.560 6.979 -32.433 1.00 0.00 H +ATOM 2865 OG SER A 177 24.149 6.460 -34.425 1.00 0.00 O +ATOM 2866 HG SER A 177 23.797 7.325 -34.649 1.00 0.00 H +ATOM 2867 C SER A 177 27.255 7.744 -32.859 1.00 0.00 C +ATOM 2868 O SER A 177 27.326 8.875 -32.376 1.00 0.00 O +ATOM 2869 N LEU A 178 28.056 6.770 -32.553 1.00 0.00 N +ATOM 2870 H LEU A 178 27.797 5.868 -32.926 1.00 0.00 H +ATOM 2871 CA LEU A 178 29.303 6.859 -31.702 1.00 0.00 C +ATOM 2872 HA LEU A 178 28.994 7.164 -30.701 1.00 0.00 H +ATOM 2873 CB LEU A 178 30.047 5.537 -31.518 1.00 0.00 C +ATOM 2874 HB2 LEU A 178 30.413 5.173 -32.478 1.00 0.00 H +ATOM 2875 HB3 LEU A 178 30.952 5.729 -30.942 1.00 0.00 H +ATOM 2876 CG LEU A 178 29.154 4.416 -30.910 1.00 0.00 C +ATOM 2877 HG LEU A 178 28.172 4.521 -31.371 1.00 0.00 H +ATOM 2878 CD1 LEU A 178 29.729 3.030 -31.246 1.00 0.00 C +ATOM 2879 HD11 LEU A 178 29.848 2.829 -32.311 1.00 0.00 H +ATOM 2880 HD12 LEU A 178 30.682 2.848 -30.749 1.00 0.00 H +ATOM 2881 HD13 LEU A 178 29.077 2.250 -30.854 1.00 0.00 H +ATOM 2882 CD2 LEU A 178 29.186 4.507 -29.380 1.00 0.00 C +ATOM 2883 HD21 LEU A 178 30.172 4.163 -29.070 1.00 0.00 H +ATOM 2884 HD22 LEU A 178 28.960 5.535 -29.096 1.00 0.00 H +ATOM 2885 HD23 LEU A 178 28.418 3.799 -29.068 1.00 0.00 H +ATOM 2886 C LEU A 178 30.339 7.922 -32.208 1.00 0.00 C +ATOM 2887 O LEU A 178 30.917 8.688 -31.425 1.00 0.00 O +ATOM 2888 N ALA A 179 30.572 7.842 -33.482 1.00 0.00 N +ATOM 2889 H ALA A 179 30.094 7.105 -33.980 1.00 0.00 H +ATOM 2890 CA ALA A 179 31.671 8.548 -34.169 1.00 0.00 C +ATOM 2891 HA ALA A 179 32.539 8.452 -33.517 1.00 0.00 H +ATOM 2892 CB ALA A 179 32.012 7.816 -35.451 1.00 0.00 C +ATOM 2893 HB1 ALA A 179 31.180 7.866 -36.154 1.00 0.00 H +ATOM 2894 HB2 ALA A 179 32.878 8.212 -35.980 1.00 0.00 H +ATOM 2895 HB3 ALA A 179 32.209 6.771 -35.214 1.00 0.00 H +ATOM 2896 C ALA A 179 31.396 9.997 -34.386 1.00 0.00 C +ATOM 2897 O ALA A 179 32.292 10.784 -34.235 1.00 0.00 O +ATOM 2898 N TYR A 180 30.116 10.335 -34.799 1.00 0.00 N +ATOM 2899 H TYR A 180 29.613 9.552 -35.191 1.00 0.00 H +ATOM 2900 CA TYR A 180 29.875 11.700 -35.243 1.00 0.00 C +ATOM 2901 HA TYR A 180 30.766 12.308 -35.083 1.00 0.00 H +ATOM 2902 CB TYR A 180 29.645 11.628 -36.765 1.00 0.00 C +ATOM 2903 HB2 TYR A 180 28.657 11.186 -36.888 1.00 0.00 H +ATOM 2904 HB3 TYR A 180 29.590 12.594 -37.267 1.00 0.00 H +ATOM 2905 CG TYR A 180 30.603 10.815 -37.533 1.00 0.00 C +ATOM 2906 CD1 TYR A 180 30.142 9.722 -38.301 1.00 0.00 C +ATOM 2907 HD1 TYR A 180 29.074 9.566 -38.256 1.00 0.00 H +ATOM 2908 CE1 TYR A 180 31.003 8.972 -39.142 1.00 0.00 C +ATOM 2909 HE1 TYR A 180 30.596 8.183 -39.756 1.00 0.00 H +ATOM 2910 CZ TYR A 180 32.372 9.269 -39.103 1.00 0.00 C +ATOM 2911 OH TYR A 180 33.193 8.578 -39.924 1.00 0.00 O +ATOM 2912 HH TYR A 180 34.132 8.705 -39.771 1.00 0.00 H +ATOM 2913 CE2 TYR A 180 32.838 10.446 -38.462 1.00 0.00 C +ATOM 2914 HE2 TYR A 180 33.853 10.812 -38.494 1.00 0.00 H +ATOM 2915 CD2 TYR A 180 31.954 11.192 -37.678 1.00 0.00 C +ATOM 2916 HD2 TYR A 180 32.309 12.108 -37.229 1.00 0.00 H +ATOM 2917 C TYR A 180 28.633 12.309 -34.665 1.00 0.00 C +ATOM 2918 O TYR A 180 28.141 13.336 -35.113 1.00 0.00 O +ATOM 2919 N ASN A 181 28.096 11.598 -33.656 1.00 0.00 N +ATOM 2920 H ASN A 181 28.383 10.641 -33.507 1.00 0.00 H +ATOM 2921 CA ASN A 181 26.846 12.032 -32.962 1.00 0.00 C +ATOM 2922 HA ASN A 181 26.498 11.152 -32.422 1.00 0.00 H +ATOM 2923 CB ASN A 181 27.022 13.232 -32.095 1.00 0.00 C +ATOM 2924 HB2 ASN A 181 27.135 14.085 -32.765 1.00 0.00 H +ATOM 2925 HB3 ASN A 181 26.147 13.385 -31.462 1.00 0.00 H +ATOM 2926 CG ASN A 181 28.193 13.115 -31.253 1.00 0.00 C +ATOM 2927 OD1 ASN A 181 29.306 13.513 -31.621 1.00 0.00 O +ATOM 2928 ND2 ASN A 181 28.158 12.389 -30.200 1.00 0.00 N +ATOM 2929 HD21 ASN A 181 29.100 12.376 -29.837 1.00 0.00 H +ATOM 2930 HD22 ASN A 181 27.371 12.110 -29.632 1.00 0.00 H +ATOM 2931 C ASN A 181 25.664 12.144 -33.967 1.00 0.00 C +ATOM 2932 O ASN A 181 24.781 12.968 -33.772 1.00 0.00 O +ATOM 2933 N LYS A 182 25.555 11.197 -34.946 1.00 0.00 N +ATOM 2934 H LYS A 182 26.305 10.521 -34.964 1.00 0.00 H +ATOM 2935 CA LYS A 182 24.444 11.110 -35.900 1.00 0.00 C +ATOM 2936 HA LYS A 182 23.902 12.052 -35.985 1.00 0.00 H +ATOM 2937 CB LYS A 182 24.931 10.857 -37.321 1.00 0.00 C +ATOM 2938 HB2 LYS A 182 25.433 9.892 -37.249 1.00 0.00 H +ATOM 2939 HB3 LYS A 182 24.134 10.690 -38.045 1.00 0.00 H +ATOM 2940 CG LYS A 182 25.763 12.117 -37.813 1.00 0.00 C +ATOM 2941 HG2 LYS A 182 25.066 12.955 -37.820 1.00 0.00 H +ATOM 2942 HG3 LYS A 182 26.505 12.477 -37.100 1.00 0.00 H +ATOM 2943 CD LYS A 182 26.456 11.838 -39.137 1.00 0.00 C +ATOM 2944 HD2 LYS A 182 27.206 11.065 -38.967 1.00 0.00 H +ATOM 2945 HD3 LYS A 182 25.778 11.434 -39.889 1.00 0.00 H +ATOM 2946 CE LYS A 182 27.044 13.103 -39.808 1.00 0.00 C +ATOM 2947 HE2 LYS A 182 27.758 13.601 -39.152 1.00 0.00 H +ATOM 2948 HE3 LYS A 182 27.535 12.822 -40.739 1.00 0.00 H +ATOM 2949 NZ LYS A 182 25.981 14.048 -40.146 1.00 0.00 N +ATOM 2950 HZ1 LYS A 182 25.367 13.794 -40.906 1.00 0.00 H +ATOM 2951 HZ2 LYS A 182 25.512 14.425 -39.335 1.00 0.00 H +ATOM 2952 HZ3 LYS A 182 26.440 14.890 -40.464 1.00 0.00 H +ATOM 2953 C LYS A 182 23.368 10.133 -35.424 1.00 0.00 C +ATOM 2954 O LYS A 182 23.591 8.962 -35.201 1.00 0.00 O +ATOM 2955 N PHE A 183 22.207 10.670 -35.026 1.00 0.00 N +ATOM 2956 H PHE A 183 22.102 11.675 -35.010 1.00 0.00 H +ATOM 2957 CA PHE A 183 20.985 10.038 -34.439 1.00 0.00 C +ATOM 2958 HA PHE A 183 21.093 8.955 -34.389 1.00 0.00 H +ATOM 2959 CB PHE A 183 20.706 10.518 -33.002 1.00 0.00 C +ATOM 2960 HB2 PHE A 183 20.562 11.597 -33.060 1.00 0.00 H +ATOM 2961 HB3 PHE A 183 19.767 10.025 -32.752 1.00 0.00 H +ATOM 2962 CG PHE A 183 21.875 10.216 -31.996 1.00 0.00 C +ATOM 2963 CD1 PHE A 183 22.849 11.152 -31.573 1.00 0.00 C +ATOM 2964 HD1 PHE A 183 22.747 12.171 -31.915 1.00 0.00 H +ATOM 2965 CE1 PHE A 183 23.981 10.720 -30.777 1.00 0.00 C +ATOM 2966 HE1 PHE A 183 24.731 11.420 -30.439 1.00 0.00 H +ATOM 2967 CZ PHE A 183 23.949 9.397 -30.329 1.00 0.00 C +ATOM 2968 HZ PHE A 183 24.729 9.057 -29.663 1.00 0.00 H +ATOM 2969 CE2 PHE A 183 22.959 8.506 -30.726 1.00 0.00 C +ATOM 2970 HE2 PHE A 183 22.849 7.487 -30.384 1.00 0.00 H +ATOM 2971 CD2 PHE A 183 21.936 8.898 -31.567 1.00 0.00 C +ATOM 2972 HD2 PHE A 183 21.228 8.143 -31.875 1.00 0.00 H +ATOM 2973 C PHE A 183 19.771 10.258 -35.361 1.00 0.00 C +ATOM 2974 O PHE A 183 18.760 10.808 -34.950 1.00 0.00 O +ATOM 2975 N SER A 184 19.812 9.947 -36.677 1.00 0.00 N +ATOM 2976 H SER A 184 20.659 9.533 -37.038 1.00 0.00 H +ATOM 2977 CA SER A 184 18.662 9.540 -37.571 1.00 0.00 C +ATOM 2978 HA SER A 184 17.826 10.226 -37.430 1.00 0.00 H +ATOM 2979 CB SER A 184 19.009 9.530 -39.094 1.00 0.00 C +ATOM 2980 HB2 SER A 184 18.027 9.468 -39.563 1.00 0.00 H +ATOM 2981 HB3 SER A 184 19.582 10.405 -39.403 1.00 0.00 H +ATOM 2982 OG SER A 184 19.708 8.360 -39.466 1.00 0.00 O +ATOM 2983 HG SER A 184 20.578 8.508 -39.089 1.00 0.00 H +ATOM 2984 C SER A 184 18.072 8.141 -37.163 1.00 0.00 C +ATOM 2985 O SER A 184 18.639 7.406 -36.410 1.00 0.00 O +ATOM 2986 N ILE A 185 16.817 7.824 -37.675 1.00 0.00 N +ATOM 2987 H ILE A 185 16.336 8.446 -38.309 1.00 0.00 H +ATOM 2988 CA ILE A 185 16.133 6.583 -37.296 1.00 0.00 C +ATOM 2989 HA ILE A 185 15.918 6.556 -36.228 1.00 0.00 H +ATOM 2990 CB ILE A 185 14.708 6.517 -38.025 1.00 0.00 C +ATOM 2991 HB ILE A 185 14.150 7.417 -37.767 1.00 0.00 H +ATOM 2992 CG2 ILE A 185 14.829 6.569 -39.549 1.00 0.00 C +ATOM 2993 HG21 ILE A 185 15.478 7.410 -39.796 1.00 0.00 H +ATOM 2994 HG22 ILE A 185 15.217 5.638 -39.961 1.00 0.00 H +ATOM 2995 HG23 ILE A 185 13.790 6.752 -39.824 1.00 0.00 H +ATOM 2996 CG1 ILE A 185 13.852 5.224 -37.658 1.00 0.00 C +ATOM 2997 HG12 ILE A 185 13.053 5.037 -38.376 1.00 0.00 H +ATOM 2998 HG13 ILE A 185 14.526 4.376 -37.784 1.00 0.00 H +ATOM 2999 CD1 ILE A 185 13.198 5.401 -36.296 1.00 0.00 C +ATOM 3000 HD11 ILE A 185 12.530 4.575 -36.052 1.00 0.00 H +ATOM 3001 HD12 ILE A 185 13.902 5.670 -35.508 1.00 0.00 H +ATOM 3002 HD13 ILE A 185 12.629 6.330 -36.255 1.00 0.00 H +ATOM 3003 C ILE A 185 17.016 5.303 -37.539 1.00 0.00 C +ATOM 3004 O ILE A 185 16.799 4.312 -36.840 1.00 0.00 O +ATOM 3005 N LYS A 186 17.937 5.330 -38.473 1.00 0.00 N +ATOM 3006 H LYS A 186 18.072 6.168 -39.021 1.00 0.00 H +ATOM 3007 CA LYS A 186 18.735 4.197 -38.817 1.00 0.00 C +ATOM 3008 HA LYS A 186 18.188 3.281 -39.039 1.00 0.00 H +ATOM 3009 CB LYS A 186 19.623 4.481 -40.037 1.00 0.00 C +ATOM 3010 HB2 LYS A 186 20.295 5.323 -39.873 1.00 0.00 H +ATOM 3011 HB3 LYS A 186 20.332 3.701 -40.314 1.00 0.00 H +ATOM 3012 CG LYS A 186 18.704 4.780 -41.301 1.00 0.00 C +ATOM 3013 HG2 LYS A 186 18.031 5.628 -41.173 1.00 0.00 H +ATOM 3014 HG3 LYS A 186 19.446 5.102 -42.033 1.00 0.00 H +ATOM 3015 CD LYS A 186 17.720 3.711 -41.722 1.00 0.00 C +ATOM 3016 HD2 LYS A 186 18.247 2.763 -41.613 1.00 0.00 H +ATOM 3017 HD3 LYS A 186 16.901 3.873 -41.021 1.00 0.00 H +ATOM 3018 CE LYS A 186 17.144 3.737 -43.199 1.00 0.00 C +ATOM 3019 HE2 LYS A 186 16.821 4.763 -43.372 1.00 0.00 H +ATOM 3020 HE3 LYS A 186 18.032 3.520 -43.793 1.00 0.00 H +ATOM 3021 NZ LYS A 186 16.042 2.774 -43.304 1.00 0.00 N +ATOM 3022 HZ1 LYS A 186 15.841 2.731 -44.293 1.00 0.00 H +ATOM 3023 HZ2 LYS A 186 16.238 1.854 -42.936 1.00 0.00 H +ATOM 3024 HZ3 LYS A 186 15.274 3.140 -42.761 1.00 0.00 H +ATOM 3025 C LYS A 186 19.568 3.751 -37.643 1.00 0.00 C +ATOM 3026 O LYS A 186 20.062 2.580 -37.722 1.00 0.00 O +ATOM 3027 N SER A 187 19.820 4.565 -36.617 1.00 0.00 N +ATOM 3028 H SER A 187 19.786 5.564 -36.764 1.00 0.00 H +ATOM 3029 CA SER A 187 20.438 4.290 -35.303 1.00 0.00 C +ATOM 3030 HA SER A 187 21.433 3.861 -35.427 1.00 0.00 H +ATOM 3031 CB SER A 187 20.707 5.620 -34.601 1.00 0.00 C +ATOM 3032 HB2 SER A 187 21.360 5.490 -33.737 1.00 0.00 H +ATOM 3033 HB3 SER A 187 21.309 6.228 -35.276 1.00 0.00 H +ATOM 3034 OG SER A 187 19.549 6.319 -34.144 1.00 0.00 O +ATOM 3035 HG SER A 187 19.092 6.764 -34.861 1.00 0.00 H +ATOM 3036 C SER A 187 19.563 3.353 -34.505 1.00 0.00 C +ATOM 3037 O SER A 187 20.047 2.349 -33.971 1.00 0.00 O +ATOM 3038 N ASP A 188 18.282 3.540 -34.382 1.00 0.00 N +ATOM 3039 H ASP A 188 17.870 4.419 -34.664 1.00 0.00 H +ATOM 3040 CA ASP A 188 17.335 2.590 -33.911 1.00 0.00 C +ATOM 3041 HA ASP A 188 17.659 2.266 -32.922 1.00 0.00 H +ATOM 3042 CB ASP A 188 15.973 3.242 -33.845 1.00 0.00 C +ATOM 3043 HB2 ASP A 188 15.604 3.833 -34.683 1.00 0.00 H +ATOM 3044 HB3 ASP A 188 15.242 2.439 -33.755 1.00 0.00 H +ATOM 3045 CG ASP A 188 15.739 4.185 -32.716 1.00 0.00 C +ATOM 3046 OD1 ASP A 188 16.523 4.259 -31.736 1.00 0.00 O +ATOM 3047 OD2 ASP A 188 14.611 4.727 -32.694 1.00 0.00 O +ATOM 3048 C ASP A 188 17.288 1.278 -34.659 1.00 0.00 C +ATOM 3049 O ASP A 188 17.100 0.301 -33.978 1.00 0.00 O +ATOM 3050 N VAL A 189 17.417 1.272 -35.974 1.00 0.00 N +ATOM 3051 H VAL A 189 17.328 2.154 -36.458 1.00 0.00 H +ATOM 3052 CA VAL A 189 17.440 -0.017 -36.787 1.00 0.00 C +ATOM 3053 HA VAL A 189 16.578 -0.584 -36.437 1.00 0.00 H +ATOM 3054 CB VAL A 189 17.220 0.230 -38.279 1.00 0.00 C +ATOM 3055 HB VAL A 189 18.029 0.844 -38.676 1.00 0.00 H +ATOM 3056 CG1 VAL A 189 17.280 -1.079 -39.075 1.00 0.00 C +ATOM 3057 HG11 VAL A 189 16.573 -1.805 -38.673 1.00 0.00 H +ATOM 3058 HG12 VAL A 189 16.764 -0.853 -40.008 1.00 0.00 H +ATOM 3059 HG13 VAL A 189 18.276 -1.507 -39.185 1.00 0.00 H +ATOM 3060 CG2 VAL A 189 15.854 0.944 -38.582 1.00 0.00 C +ATOM 3061 HG21 VAL A 189 15.025 0.241 -38.505 1.00 0.00 H +ATOM 3062 HG22 VAL A 189 15.705 1.752 -37.866 1.00 0.00 H +ATOM 3063 HG23 VAL A 189 15.796 1.345 -39.594 1.00 0.00 H +ATOM 3064 C VAL A 189 18.645 -0.840 -36.396 1.00 0.00 C +ATOM 3065 O VAL A 189 18.578 -1.988 -36.010 1.00 0.00 O +ATOM 3066 N TRP A 190 19.785 -0.146 -36.327 1.00 0.00 N +ATOM 3067 H TRP A 190 19.830 0.863 -36.315 1.00 0.00 H +ATOM 3068 CA TRP A 190 21.030 -0.888 -35.847 1.00 0.00 C +ATOM 3069 HA TRP A 190 21.189 -1.663 -36.596 1.00 0.00 H +ATOM 3070 CB TRP A 190 22.241 0.067 -35.874 1.00 0.00 C +ATOM 3071 HB2 TRP A 190 22.312 0.499 -36.872 1.00 0.00 H +ATOM 3072 HB3 TRP A 190 22.033 0.861 -35.156 1.00 0.00 H +ATOM 3073 CG TRP A 190 23.568 -0.549 -35.498 1.00 0.00 C +ATOM 3074 CD1 TRP A 190 23.969 -0.957 -34.231 1.00 0.00 C +ATOM 3075 HD1 TRP A 190 23.438 -0.808 -33.303 1.00 0.00 H +ATOM 3076 NE1 TRP A 190 25.216 -1.547 -34.327 1.00 0.00 N +ATOM 3077 HE1 TRP A 190 25.609 -1.909 -33.470 1.00 0.00 H +ATOM 3078 CE2 TRP A 190 25.670 -1.560 -35.636 1.00 0.00 C +ATOM 3079 CZ2 TRP A 190 26.894 -2.043 -36.165 1.00 0.00 C +ATOM 3080 HZ2 TRP A 190 27.536 -2.615 -35.510 1.00 0.00 H +ATOM 3081 CH2 TRP A 190 27.155 -1.758 -37.523 1.00 0.00 C +ATOM 3082 HH2 TRP A 190 28.082 -2.032 -38.005 1.00 0.00 H +ATOM 3083 CZ3 TRP A 190 26.208 -1.093 -38.328 1.00 0.00 C +ATOM 3084 HZ3 TRP A 190 26.386 -1.108 -39.393 1.00 0.00 H +ATOM 3085 CE3 TRP A 190 24.964 -0.648 -37.728 1.00 0.00 C +ATOM 3086 HE3 TRP A 190 24.214 -0.139 -38.315 1.00 0.00 H +ATOM 3087 CD2 TRP A 190 24.688 -0.866 -36.343 1.00 0.00 C +ATOM 3088 C TRP A 190 20.854 -1.553 -34.475 1.00 0.00 C +ATOM 3089 O TRP A 190 21.191 -2.727 -34.378 1.00 0.00 O +ATOM 3090 N ALA A 191 20.337 -0.774 -33.416 1.00 0.00 N +ATOM 3091 H ALA A 191 20.218 0.194 -33.680 1.00 0.00 H +ATOM 3092 CA ALA A 191 19.899 -1.184 -32.081 1.00 0.00 C +ATOM 3093 HA ALA A 191 20.770 -1.610 -31.582 1.00 0.00 H +ATOM 3094 CB ALA A 191 19.550 0.173 -31.390 1.00 0.00 C +ATOM 3095 HB1 ALA A 191 20.302 0.847 -30.979 1.00 0.00 H +ATOM 3096 HB2 ALA A 191 18.952 0.705 -32.131 1.00 0.00 H +ATOM 3097 HB3 ALA A 191 18.876 -0.085 -30.573 1.00 0.00 H +ATOM 3098 C ALA A 191 18.863 -2.303 -31.995 1.00 0.00 C +ATOM 3099 O ALA A 191 19.035 -3.342 -31.317 1.00 0.00 O +ATOM 3100 N PHE A 192 17.818 -2.151 -32.839 1.00 0.00 N +ATOM 3101 H PHE A 192 17.745 -1.332 -33.426 1.00 0.00 H +ATOM 3102 CA PHE A 192 16.840 -3.221 -33.068 1.00 0.00 C +ATOM 3103 HA PHE A 192 16.372 -3.467 -32.115 1.00 0.00 H +ATOM 3104 CB PHE A 192 15.764 -2.745 -34.103 1.00 0.00 C +ATOM 3105 HB2 PHE A 192 15.324 -1.849 -33.665 1.00 0.00 H +ATOM 3106 HB3 PHE A 192 16.265 -2.356 -34.990 1.00 0.00 H +ATOM 3107 CG PHE A 192 14.643 -3.750 -34.310 1.00 0.00 C +ATOM 3108 CD1 PHE A 192 13.584 -4.052 -33.438 1.00 0.00 C +ATOM 3109 HD1 PHE A 192 13.408 -3.506 -32.523 1.00 0.00 H +ATOM 3110 CE1 PHE A 192 12.831 -5.220 -33.632 1.00 0.00 C +ATOM 3111 HE1 PHE A 192 12.325 -5.510 -32.723 1.00 0.00 H +ATOM 3112 CZ PHE A 192 12.866 -5.939 -34.815 1.00 0.00 C +ATOM 3113 HZ PHE A 192 12.203 -6.766 -35.024 1.00 0.00 H +ATOM 3114 CE2 PHE A 192 13.898 -5.597 -35.701 1.00 0.00 C +ATOM 3115 HE2 PHE A 192 14.213 -6.162 -36.566 1.00 0.00 H +ATOM 3116 CD2 PHE A 192 14.735 -4.568 -35.421 1.00 0.00 C +ATOM 3117 HD2 PHE A 192 15.560 -4.493 -36.114 1.00 0.00 H +ATOM 3118 C PHE A 192 17.496 -4.547 -33.556 1.00 0.00 C +ATOM 3119 O PHE A 192 17.181 -5.617 -33.058 1.00 0.00 O +ATOM 3120 N GLY A 193 18.416 -4.433 -34.445 1.00 0.00 N +ATOM 3121 H GLY A 193 18.711 -3.496 -34.682 1.00 0.00 H +ATOM 3122 CA GLY A 193 19.154 -5.586 -34.967 1.00 0.00 C +ATOM 3123 HA2 GLY A 193 18.506 -6.330 -35.431 1.00 0.00 H +ATOM 3124 HA3 GLY A 193 19.944 -5.179 -35.598 1.00 0.00 H +ATOM 3125 C GLY A 193 19.929 -6.338 -33.854 1.00 0.00 C +ATOM 3126 O GLY A 193 19.993 -7.599 -33.839 1.00 0.00 O +ATOM 3127 N VAL A 194 20.494 -5.568 -32.948 1.00 0.00 N +ATOM 3128 H VAL A 194 20.338 -4.570 -32.948 1.00 0.00 H +ATOM 3129 CA VAL A 194 21.119 -6.201 -31.736 1.00 0.00 C +ATOM 3130 HA VAL A 194 21.763 -7.050 -31.965 1.00 0.00 H +ATOM 3131 CB VAL A 194 22.042 -5.271 -30.885 1.00 0.00 C +ATOM 3132 HB VAL A 194 21.429 -4.403 -30.644 1.00 0.00 H +ATOM 3133 CG1 VAL A 194 22.577 -5.931 -29.619 1.00 0.00 C +ATOM 3134 HG11 VAL A 194 22.886 -6.943 -29.882 1.00 0.00 H +ATOM 3135 HG12 VAL A 194 23.426 -5.399 -29.190 1.00 0.00 H +ATOM 3136 HG13 VAL A 194 21.881 -5.787 -28.793 1.00 0.00 H +ATOM 3137 CG2 VAL A 194 23.148 -4.797 -31.748 1.00 0.00 C +ATOM 3138 HG21 VAL A 194 23.878 -4.240 -31.159 1.00 0.00 H +ATOM 3139 HG22 VAL A 194 23.727 -5.634 -32.138 1.00 0.00 H +ATOM 3140 HG23 VAL A 194 22.708 -4.097 -32.458 1.00 0.00 H +ATOM 3141 C VAL A 194 20.018 -6.813 -30.777 1.00 0.00 C +ATOM 3142 O VAL A 194 20.306 -7.907 -30.222 1.00 0.00 O +ATOM 3143 N LEU A 195 18.878 -6.126 -30.505 1.00 0.00 N +ATOM 3144 H LEU A 195 18.716 -5.216 -30.912 1.00 0.00 H +ATOM 3145 CA LEU A 195 17.798 -6.631 -29.703 1.00 0.00 C +ATOM 3146 HA LEU A 195 18.188 -6.840 -28.706 1.00 0.00 H +ATOM 3147 CB LEU A 195 16.675 -5.598 -29.621 1.00 0.00 C +ATOM 3148 HB2 LEU A 195 17.061 -4.783 -29.008 1.00 0.00 H +ATOM 3149 HB3 LEU A 195 16.491 -5.140 -30.593 1.00 0.00 H +ATOM 3150 CG LEU A 195 15.324 -5.887 -28.912 1.00 0.00 C +ATOM 3151 HG LEU A 195 14.741 -6.635 -29.450 1.00 0.00 H +ATOM 3152 CD1 LEU A 195 15.586 -6.402 -27.449 1.00 0.00 C +ATOM 3153 HD11 LEU A 195 15.927 -7.435 -27.515 1.00 0.00 H +ATOM 3154 HD12 LEU A 195 16.329 -5.879 -26.847 1.00 0.00 H +ATOM 3155 HD13 LEU A 195 14.774 -6.223 -26.744 1.00 0.00 H +ATOM 3156 CD2 LEU A 195 14.608 -4.570 -28.971 1.00 0.00 C +ATOM 3157 HD21 LEU A 195 15.271 -3.834 -28.517 1.00 0.00 H +ATOM 3158 HD22 LEU A 195 14.349 -4.273 -29.987 1.00 0.00 H +ATOM 3159 HD23 LEU A 195 13.680 -4.560 -28.400 1.00 0.00 H +ATOM 3160 C LEU A 195 17.302 -7.965 -30.293 1.00 0.00 C +ATOM 3161 O LEU A 195 16.890 -8.905 -29.570 1.00 0.00 O +ATOM 3162 N LEU A 196 17.267 -8.134 -31.680 1.00 0.00 N +ATOM 3163 H LEU A 196 17.441 -7.308 -32.235 1.00 0.00 H +ATOM 3164 CA LEU A 196 16.934 -9.455 -32.263 1.00 0.00 C +ATOM 3165 HA LEU A 196 15.937 -9.828 -32.032 1.00 0.00 H +ATOM 3166 CB LEU A 196 17.003 -9.546 -33.736 1.00 0.00 C +ATOM 3167 HB2 LEU A 196 17.977 -9.127 -33.987 1.00 0.00 H +ATOM 3168 HB3 LEU A 196 16.784 -10.542 -34.123 1.00 0.00 H +ATOM 3169 CG LEU A 196 16.093 -8.640 -34.550 1.00 0.00 C +ATOM 3170 HG LEU A 196 16.415 -7.611 -34.393 1.00 0.00 H +ATOM 3171 CD1 LEU A 196 16.293 -8.969 -36.039 1.00 0.00 C +ATOM 3172 HD11 LEU A 196 15.866 -8.149 -36.617 1.00 0.00 H +ATOM 3173 HD12 LEU A 196 17.353 -8.840 -36.254 1.00 0.00 H +ATOM 3174 HD13 LEU A 196 15.993 -9.976 -36.329 1.00 0.00 H +ATOM 3175 CD2 LEU A 196 14.654 -8.983 -34.294 1.00 0.00 C +ATOM 3176 HD21 LEU A 196 13.971 -8.575 -35.038 1.00 0.00 H +ATOM 3177 HD22 LEU A 196 14.488 -10.023 -34.012 1.00 0.00 H +ATOM 3178 HD23 LEU A 196 14.405 -8.350 -33.442 1.00 0.00 H +ATOM 3179 C LEU A 196 17.843 -10.523 -31.733 1.00 0.00 C +ATOM 3180 O LEU A 196 17.396 -11.633 -31.316 1.00 0.00 O +ATOM 3181 N TRP A 197 19.163 -10.278 -31.795 1.00 0.00 N +ATOM 3182 H TRP A 197 19.453 -9.423 -32.249 1.00 0.00 H +ATOM 3183 CA TRP A 197 20.182 -11.160 -31.199 1.00 0.00 C +ATOM 3184 HA TRP A 197 20.008 -12.070 -31.773 1.00 0.00 H +ATOM 3185 CB TRP A 197 21.573 -10.551 -31.545 1.00 0.00 C +ATOM 3186 HB2 TRP A 197 21.587 -10.217 -32.582 1.00 0.00 H +ATOM 3187 HB3 TRP A 197 21.800 -9.657 -30.966 1.00 0.00 H +ATOM 3188 CG TRP A 197 22.661 -11.583 -31.447 1.00 0.00 C +ATOM 3189 CD1 TRP A 197 23.287 -12.135 -32.496 1.00 0.00 C +ATOM 3190 HD1 TRP A 197 23.246 -11.913 -33.553 1.00 0.00 H +ATOM 3191 NE1 TRP A 197 24.287 -12.953 -32.037 1.00 0.00 N +ATOM 3192 HE1 TRP A 197 24.812 -13.597 -32.612 1.00 0.00 H +ATOM 3193 CE2 TRP A 197 24.522 -12.777 -30.657 1.00 0.00 C +ATOM 3194 CZ2 TRP A 197 25.544 -13.231 -29.788 1.00 0.00 C +ATOM 3195 HZ2 TRP A 197 26.418 -13.782 -30.103 1.00 0.00 H +ATOM 3196 CH2 TRP A 197 25.488 -12.803 -28.410 1.00 0.00 C +ATOM 3197 HH2 TRP A 197 26.157 -13.129 -27.627 1.00 0.00 H +ATOM 3198 CZ3 TRP A 197 24.373 -12.049 -28.072 1.00 0.00 C +ATOM 3199 HZ3 TRP A 197 24.269 -11.789 -27.029 1.00 0.00 H +ATOM 3200 CE3 TRP A 197 23.264 -11.802 -28.940 1.00 0.00 C +ATOM 3201 HE3 TRP A 197 22.533 -11.068 -28.637 1.00 0.00 H +ATOM 3202 CD2 TRP A 197 23.344 -12.050 -30.282 1.00 0.00 C +ATOM 3203 C TRP A 197 19.955 -11.307 -29.644 1.00 0.00 C +ATOM 3204 O TRP A 197 19.988 -12.502 -29.202 1.00 0.00 O +ATOM 3205 N GLU A 198 19.637 -10.227 -28.879 1.00 0.00 N +ATOM 3206 H GLU A 198 19.507 -9.335 -29.333 1.00 0.00 H +ATOM 3207 CA GLU A 198 19.163 -10.537 -27.497 1.00 0.00 C +ATOM 3208 HA GLU A 198 19.980 -11.031 -26.971 1.00 0.00 H +ATOM 3209 CB GLU A 198 18.833 -9.266 -26.693 1.00 0.00 C +ATOM 3210 HB2 GLU A 198 18.087 -8.767 -27.312 1.00 0.00 H +ATOM 3211 HB3 GLU A 198 18.563 -9.641 -25.706 1.00 0.00 H +ATOM 3212 CG GLU A 198 20.084 -8.337 -26.624 1.00 0.00 C +ATOM 3213 HG2 GLU A 198 21.006 -8.895 -26.460 1.00 0.00 H +ATOM 3214 HG3 GLU A 198 20.147 -7.912 -27.626 1.00 0.00 H +ATOM 3215 CD GLU A 198 19.894 -7.265 -25.591 1.00 0.00 C +ATOM 3216 OE1 GLU A 198 20.385 -7.442 -24.466 1.00 0.00 O +ATOM 3217 OE2 GLU A 198 19.260 -6.215 -25.877 1.00 0.00 O +ATOM 3218 C GLU A 198 18.066 -11.558 -27.384 1.00 0.00 C +ATOM 3219 O GLU A 198 18.177 -12.451 -26.535 1.00 0.00 O +ATOM 3220 N ILE A 199 16.979 -11.432 -28.160 1.00 0.00 N +ATOM 3221 H ILE A 199 17.017 -10.786 -28.936 1.00 0.00 H +ATOM 3222 CA ILE A 199 15.705 -12.154 -28.052 1.00 0.00 C +ATOM 3223 HA ILE A 199 15.387 -12.148 -27.009 1.00 0.00 H +ATOM 3224 CB ILE A 199 14.562 -11.504 -28.857 1.00 0.00 C +ATOM 3225 HB ILE A 199 14.907 -11.297 -29.870 1.00 0.00 H +ATOM 3226 CG2 ILE A 199 13.316 -12.463 -29.006 1.00 0.00 C +ATOM 3227 HG21 ILE A 199 12.500 -11.959 -29.525 1.00 0.00 H +ATOM 3228 HG22 ILE A 199 13.534 -13.305 -29.662 1.00 0.00 H +ATOM 3229 HG23 ILE A 199 13.040 -12.926 -28.059 1.00 0.00 H +ATOM 3230 CG1 ILE A 199 14.109 -10.190 -28.193 1.00 0.00 C +ATOM 3231 HG12 ILE A 199 13.481 -10.512 -27.362 1.00 0.00 H +ATOM 3232 HG13 ILE A 199 14.941 -9.631 -27.765 1.00 0.00 H +ATOM 3233 CD1 ILE A 199 13.268 -9.272 -29.135 1.00 0.00 C +ATOM 3234 HD11 ILE A 199 12.925 -8.373 -28.622 1.00 0.00 H +ATOM 3235 HD12 ILE A 199 13.779 -9.026 -30.066 1.00 0.00 H +ATOM 3236 HD13 ILE A 199 12.315 -9.750 -29.365 1.00 0.00 H +ATOM 3237 C ILE A 199 15.941 -13.686 -28.442 1.00 0.00 C +ATOM 3238 O ILE A 199 15.809 -14.593 -27.580 1.00 0.00 O +ATOM 3239 N ALA A 200 16.383 -13.958 -29.705 1.00 0.00 N +ATOM 3240 H ALA A 200 16.500 -13.217 -30.381 1.00 0.00 H +ATOM 3241 CA ALA A 200 16.861 -15.263 -30.184 1.00 0.00 C +ATOM 3242 HA ALA A 200 16.013 -15.864 -30.511 1.00 0.00 H +ATOM 3243 CB ALA A 200 17.778 -15.092 -31.393 1.00 0.00 C +ATOM 3244 HB1 ALA A 200 18.749 -14.817 -30.982 1.00 0.00 H +ATOM 3245 HB2 ALA A 200 17.804 -16.053 -31.906 1.00 0.00 H +ATOM 3246 HB3 ALA A 200 17.387 -14.367 -32.107 1.00 0.00 H +ATOM 3247 C ALA A 200 17.742 -16.072 -29.228 1.00 0.00 C +ATOM 3248 O ALA A 200 17.680 -17.292 -29.060 1.00 0.00 O +ATOM 3249 N THR A 201 18.659 -15.342 -28.527 1.00 0.00 N +ATOM 3250 H THR A 201 18.800 -14.354 -28.682 1.00 0.00 H +ATOM 3251 CA THR A 201 19.579 -15.853 -27.439 1.00 0.00 C +ATOM 3252 HA THR A 201 19.723 -16.902 -27.696 1.00 0.00 H +ATOM 3253 CB THR A 201 20.977 -15.214 -27.403 1.00 0.00 C +ATOM 3254 HB THR A 201 21.604 -15.792 -26.724 1.00 0.00 H +ATOM 3255 CG2 THR A 201 21.704 -15.189 -28.725 1.00 0.00 C +ATOM 3256 HG21 THR A 201 21.137 -14.611 -29.455 1.00 0.00 H +ATOM 3257 HG22 THR A 201 22.708 -14.847 -28.473 1.00 0.00 H +ATOM 3258 HG23 THR A 201 21.816 -16.211 -29.087 1.00 0.00 H +ATOM 3259 OG1 THR A 201 20.702 -13.923 -26.908 1.00 0.00 O +ATOM 3260 HG1 THR A 201 20.392 -13.328 -27.595 1.00 0.00 H +ATOM 3261 C THR A 201 18.997 -15.903 -26.003 1.00 0.00 C +ATOM 3262 O THR A 201 19.721 -16.459 -25.136 1.00 0.00 O +ATOM 3263 N TYR A 202 17.800 -15.442 -25.763 1.00 0.00 N +ATOM 3264 H TYR A 202 17.290 -15.148 -26.584 1.00 0.00 H +ATOM 3265 CA TYR A 202 17.262 -15.275 -24.365 1.00 0.00 C +ATOM 3266 HA TYR A 202 16.385 -14.650 -24.527 1.00 0.00 H +ATOM 3267 CB TYR A 202 16.900 -16.664 -23.827 1.00 0.00 C +ATOM 3268 HB2 TYR A 202 17.734 -17.256 -23.451 1.00 0.00 H +ATOM 3269 HB3 TYR A 202 16.413 -16.504 -22.865 1.00 0.00 H +ATOM 3270 CG TYR A 202 16.025 -17.534 -24.631 1.00 0.00 C +ATOM 3271 CD1 TYR A 202 14.612 -17.364 -24.599 1.00 0.00 C +ATOM 3272 HD1 TYR A 202 14.184 -16.638 -23.923 1.00 0.00 H +ATOM 3273 CE1 TYR A 202 13.769 -18.133 -25.426 1.00 0.00 C +ATOM 3274 HE1 TYR A 202 12.694 -18.060 -25.346 1.00 0.00 H +ATOM 3275 CZ TYR A 202 14.353 -19.165 -26.234 1.00 0.00 C +ATOM 3276 OH TYR A 202 13.497 -19.842 -27.057 1.00 0.00 O +ATOM 3277 HH TYR A 202 12.607 -19.855 -26.698 1.00 0.00 H +ATOM 3278 CE2 TYR A 202 15.716 -19.337 -26.304 1.00 0.00 C +ATOM 3279 HE2 TYR A 202 16.078 -20.084 -26.995 1.00 0.00 H +ATOM 3280 CD2 TYR A 202 16.578 -18.540 -25.485 1.00 0.00 C +ATOM 3281 HD2 TYR A 202 17.654 -18.626 -25.525 1.00 0.00 H +ATOM 3282 C TYR A 202 18.132 -14.511 -23.356 1.00 0.00 C +ATOM 3283 O TYR A 202 18.371 -14.883 -22.181 1.00 0.00 O +ATOM 3284 N GLY A 203 18.631 -13.291 -23.722 1.00 0.00 N +ATOM 3285 H GLY A 203 18.553 -13.079 -24.706 1.00 0.00 H +ATOM 3286 CA GLY A 203 19.200 -12.306 -22.836 1.00 0.00 C +ATOM 3287 HA2 GLY A 203 19.201 -11.279 -23.201 1.00 0.00 H +ATOM 3288 HA3 GLY A 203 18.704 -12.384 -21.869 1.00 0.00 H +ATOM 3289 C GLY A 203 20.700 -12.565 -22.554 1.00 0.00 C +ATOM 3290 O GLY A 203 21.298 -12.287 -21.466 1.00 0.00 O +ATOM 3291 N MET A 204 21.425 -12.985 -23.616 1.00 0.00 N +ATOM 3292 H MET A 204 20.992 -13.234 -24.494 1.00 0.00 H +ATOM 3293 CA MET A 204 22.860 -12.834 -23.684 1.00 0.00 C +ATOM 3294 HA MET A 204 23.236 -13.388 -22.823 1.00 0.00 H +ATOM 3295 CB MET A 204 23.389 -13.446 -24.959 1.00 0.00 C +ATOM 3296 HB2 MET A 204 22.750 -13.266 -25.823 1.00 0.00 H +ATOM 3297 HB3 MET A 204 24.378 -13.046 -25.184 1.00 0.00 H +ATOM 3298 CG MET A 204 23.407 -14.961 -24.684 1.00 0.00 C +ATOM 3299 HG2 MET A 204 23.929 -15.224 -23.763 1.00 0.00 H +ATOM 3300 HG3 MET A 204 22.462 -15.484 -24.532 1.00 0.00 H +ATOM 3301 SD MET A 204 24.357 -15.703 -26.061 1.00 0.00 S +ATOM 3302 CE MET A 204 24.233 -17.434 -25.637 1.00 0.00 C +ATOM 3303 HE1 MET A 204 23.240 -17.727 -25.978 1.00 0.00 H +ATOM 3304 HE2 MET A 204 24.964 -18.051 -26.160 1.00 0.00 H +ATOM 3305 HE3 MET A 204 24.221 -17.605 -24.560 1.00 0.00 H +ATOM 3306 C MET A 204 23.170 -11.332 -23.678 1.00 0.00 C +ATOM 3307 O MET A 204 22.397 -10.469 -24.126 1.00 0.00 O +ATOM 3308 N SER A 205 24.313 -11.065 -23.071 1.00 0.00 N +ATOM 3309 H SER A 205 24.797 -11.846 -22.652 1.00 0.00 H +ATOM 3310 CA SER A 205 25.005 -9.772 -23.384 1.00 0.00 C +ATOM 3311 HA SER A 205 24.212 -9.035 -23.261 1.00 0.00 H +ATOM 3312 CB SER A 205 26.105 -9.588 -22.353 1.00 0.00 C +ATOM 3313 HB2 SER A 205 25.763 -9.752 -21.331 1.00 0.00 H +ATOM 3314 HB3 SER A 205 26.815 -10.408 -22.465 1.00 0.00 H +ATOM 3315 OG SER A 205 26.718 -8.365 -22.408 1.00 0.00 O +ATOM 3316 HG SER A 205 26.202 -7.842 -21.789 1.00 0.00 H +ATOM 3317 C SER A 205 25.582 -9.861 -24.829 1.00 0.00 C +ATOM 3318 O SER A 205 26.112 -10.910 -25.194 1.00 0.00 O +ATOM 3319 N PRO A 206 25.478 -8.807 -25.643 1.00 0.00 N +ATOM 3320 CD PRO A 206 24.685 -7.582 -25.389 1.00 0.00 C +ATOM 3321 HD2 PRO A 206 25.152 -7.109 -24.525 1.00 0.00 H +ATOM 3322 HD3 PRO A 206 23.641 -7.878 -25.293 1.00 0.00 H +ATOM 3323 CG PRO A 206 24.772 -6.700 -26.680 1.00 0.00 C +ATOM 3324 HG2 PRO A 206 25.621 -6.030 -26.541 1.00 0.00 H +ATOM 3325 HG3 PRO A 206 23.824 -6.185 -26.838 1.00 0.00 H +ATOM 3326 CB PRO A 206 25.069 -7.746 -27.711 1.00 0.00 C +ATOM 3327 HB2 PRO A 206 25.615 -7.352 -28.568 1.00 0.00 H +ATOM 3328 HB3 PRO A 206 24.151 -8.259 -27.997 1.00 0.00 H +ATOM 3329 CA PRO A 206 26.060 -8.681 -26.981 1.00 0.00 C +ATOM 3330 HA PRO A 206 25.993 -9.692 -27.384 1.00 0.00 H +ATOM 3331 C PRO A 206 27.519 -8.288 -27.104 1.00 0.00 C +ATOM 3332 O PRO A 206 28.091 -7.837 -26.104 1.00 0.00 O +ATOM 3333 N TYR A 207 28.242 -8.505 -28.208 1.00 0.00 N +ATOM 3334 H TYR A 207 27.848 -8.931 -29.035 1.00 0.00 H +ATOM 3335 CA TYR A 207 29.701 -8.342 -28.448 1.00 0.00 C +ATOM 3336 HA TYR A 207 30.010 -9.196 -29.050 1.00 0.00 H +ATOM 3337 CB TYR A 207 29.926 -7.030 -29.165 1.00 0.00 C +ATOM 3338 HB2 TYR A 207 29.583 -6.219 -28.523 1.00 0.00 H +ATOM 3339 HB3 TYR A 207 31.002 -6.863 -29.197 1.00 0.00 H +ATOM 3340 CG TYR A 207 29.294 -6.971 -30.654 1.00 0.00 C +ATOM 3341 CD1 TYR A 207 28.080 -6.287 -30.868 1.00 0.00 C +ATOM 3342 HD1 TYR A 207 27.561 -5.994 -29.967 1.00 0.00 H +ATOM 3343 CE1 TYR A 207 27.522 -6.149 -32.167 1.00 0.00 C +ATOM 3344 HE1 TYR A 207 26.565 -5.673 -32.321 1.00 0.00 H +ATOM 3345 CZ TYR A 207 28.343 -6.648 -33.239 1.00 0.00 C +ATOM 3346 OH TYR A 207 27.906 -6.612 -34.548 1.00 0.00 O +ATOM 3347 HH TYR A 207 27.153 -6.034 -34.694 1.00 0.00 H +ATOM 3348 CE2 TYR A 207 29.538 -7.370 -32.993 1.00 0.00 C +ATOM 3349 HE2 TYR A 207 30.107 -7.678 -33.858 1.00 0.00 H +ATOM 3350 CD2 TYR A 207 30.013 -7.546 -31.669 1.00 0.00 C +ATOM 3351 HD2 TYR A 207 31.008 -7.907 -31.455 1.00 0.00 H +ATOM 3352 C TYR A 207 30.645 -8.619 -27.195 1.00 0.00 C +ATOM 3353 O TYR A 207 31.518 -7.780 -26.889 1.00 0.00 O +ATOM 3354 N PRO A 208 30.467 -9.818 -26.575 1.00 0.00 N +ATOM 3355 CD PRO A 208 29.410 -10.828 -26.738 1.00 0.00 C +ATOM 3356 HD2 PRO A 208 28.896 -10.977 -27.688 1.00 0.00 H +ATOM 3357 HD3 PRO A 208 28.724 -10.495 -25.959 1.00 0.00 H +ATOM 3358 CG PRO A 208 30.081 -12.112 -26.448 1.00 0.00 C +ATOM 3359 HG2 PRO A 208 30.629 -12.466 -27.321 1.00 0.00 H +ATOM 3360 HG3 PRO A 208 29.373 -12.902 -26.196 1.00 0.00 H +ATOM 3361 CB PRO A 208 31.035 -11.874 -25.282 1.00 0.00 C +ATOM 3362 HB2 PRO A 208 31.861 -12.584 -25.250 1.00 0.00 H +ATOM 3363 HB3 PRO A 208 30.493 -11.847 -24.337 1.00 0.00 H +ATOM 3364 CA PRO A 208 31.502 -10.368 -25.672 1.00 0.00 C +ATOM 3365 HA PRO A 208 31.468 -9.741 -24.781 1.00 0.00 H +ATOM 3366 C PRO A 208 32.889 -10.494 -26.302 1.00 0.00 C +ATOM 3367 O PRO A 208 32.988 -10.830 -27.527 1.00 0.00 O +ATOM 3368 N GLY A 209 33.900 -10.434 -25.500 1.00 0.00 N +ATOM 3369 H GLY A 209 33.747 -10.403 -24.502 1.00 0.00 H +ATOM 3370 CA GLY A 209 35.241 -10.606 -25.941 1.00 0.00 C +ATOM 3371 HA2 GLY A 209 35.914 -10.777 -25.100 1.00 0.00 H +ATOM 3372 HA3 GLY A 209 35.286 -11.508 -26.551 1.00 0.00 H +ATOM 3373 C GLY A 209 35.729 -9.525 -26.888 1.00 0.00 C +ATOM 3374 O GLY A 209 36.764 -9.687 -27.503 1.00 0.00 O +ATOM 3375 N ILE A 210 35.068 -8.374 -26.809 1.00 0.00 N +ATOM 3376 H ILE A 210 34.366 -8.212 -26.101 1.00 0.00 H +ATOM 3377 CA ILE A 210 35.346 -7.064 -27.551 1.00 0.00 C +ATOM 3378 HA ILE A 210 36.409 -7.134 -27.782 1.00 0.00 H +ATOM 3379 CB ILE A 210 34.506 -6.879 -28.825 1.00 0.00 C +ATOM 3380 HB ILE A 210 33.472 -7.152 -28.614 1.00 0.00 H +ATOM 3381 CG2 ILE A 210 34.733 -5.422 -29.324 1.00 0.00 C +ATOM 3382 HG21 ILE A 210 35.813 -5.280 -29.314 1.00 0.00 H +ATOM 3383 HG22 ILE A 210 34.203 -5.241 -30.259 1.00 0.00 H +ATOM 3384 HG23 ILE A 210 34.274 -4.665 -28.686 1.00 0.00 H +ATOM 3385 CG1 ILE A 210 34.954 -7.792 -30.038 1.00 0.00 C +ATOM 3386 HG12 ILE A 210 34.478 -7.415 -30.943 1.00 0.00 H +ATOM 3387 HG13 ILE A 210 36.019 -7.904 -30.238 1.00 0.00 H +ATOM 3388 CD1 ILE A 210 34.463 -9.198 -29.985 1.00 0.00 C +ATOM 3389 HD11 ILE A 210 33.375 -9.177 -30.046 1.00 0.00 H +ATOM 3390 HD12 ILE A 210 34.751 -9.625 -30.946 1.00 0.00 H +ATOM 3391 HD13 ILE A 210 34.934 -9.739 -29.164 1.00 0.00 H +ATOM 3392 C ILE A 210 35.168 -5.909 -26.517 1.00 0.00 C +ATOM 3393 O ILE A 210 34.083 -5.701 -25.918 1.00 0.00 O +ATOM 3394 N ASP A 211 36.259 -5.279 -25.969 1.00 0.00 N +ATOM 3395 H ASP A 211 37.161 -5.594 -26.298 1.00 0.00 H +ATOM 3396 CA ASP A 211 36.194 -4.100 -25.061 1.00 0.00 C +ATOM 3397 HA ASP A 211 35.610 -4.387 -24.186 1.00 0.00 H +ATOM 3398 CB ASP A 211 37.636 -3.679 -24.585 1.00 0.00 C +ATOM 3399 HB2 ASP A 211 38.275 -4.511 -24.289 1.00 0.00 H +ATOM 3400 HB3 ASP A 211 38.236 -3.398 -25.450 1.00 0.00 H +ATOM 3401 CG ASP A 211 37.582 -2.609 -23.469 1.00 0.00 C +ATOM 3402 OD1 ASP A 211 37.154 -2.922 -22.328 1.00 0.00 O +ATOM 3403 OD2 ASP A 211 37.874 -1.417 -23.748 1.00 0.00 O +ATOM 3404 C ASP A 211 35.413 -2.871 -25.615 1.00 0.00 C +ATOM 3405 O ASP A 211 35.354 -2.507 -26.783 1.00 0.00 O +ATOM 3406 N LEU A 212 34.844 -2.104 -24.675 1.00 0.00 N +ATOM 3407 H LEU A 212 34.908 -2.273 -23.682 1.00 0.00 H +ATOM 3408 CA LEU A 212 34.183 -0.803 -25.025 1.00 0.00 C +ATOM 3409 HA LEU A 212 33.345 -1.043 -25.680 1.00 0.00 H +ATOM 3410 CB LEU A 212 33.797 -0.099 -23.704 1.00 0.00 C +ATOM 3411 HB2 LEU A 212 34.698 0.207 -23.173 1.00 0.00 H +ATOM 3412 HB3 LEU A 212 33.287 0.855 -23.832 1.00 0.00 H +ATOM 3413 CG LEU A 212 32.886 -0.911 -22.720 1.00 0.00 C +ATOM 3414 HG LEU A 212 33.207 -1.949 -22.634 1.00 0.00 H +ATOM 3415 CD1 LEU A 212 32.843 -0.464 -21.253 1.00 0.00 C +ATOM 3416 HD11 LEU A 212 33.696 0.182 -21.047 1.00 0.00 H +ATOM 3417 HD12 LEU A 212 31.895 0.000 -20.980 1.00 0.00 H +ATOM 3418 HD13 LEU A 212 32.956 -1.363 -20.647 1.00 0.00 H +ATOM 3419 CD2 LEU A 212 31.418 -0.951 -23.240 1.00 0.00 C +ATOM 3420 HD21 LEU A 212 30.873 -1.798 -22.824 1.00 0.00 H +ATOM 3421 HD22 LEU A 212 31.017 0.002 -22.894 1.00 0.00 H +ATOM 3422 HD23 LEU A 212 31.497 -1.015 -24.326 1.00 0.00 H +ATOM 3423 C LEU A 212 35.021 0.184 -25.829 1.00 0.00 C +ATOM 3424 O LEU A 212 34.431 0.914 -26.621 1.00 0.00 O +ATOM 3425 N SER A 213 36.325 0.218 -25.665 1.00 0.00 N +ATOM 3426 H SER A 213 36.740 -0.353 -24.942 1.00 0.00 H +ATOM 3427 CA SER A 213 37.271 1.071 -26.471 1.00 0.00 C +ATOM 3428 HA SER A 213 36.746 1.930 -26.888 1.00 0.00 H +ATOM 3429 CB SER A 213 38.366 1.631 -25.632 1.00 0.00 C +ATOM 3430 HB2 SER A 213 38.978 0.797 -25.288 1.00 0.00 H +ATOM 3431 HB3 SER A 213 38.912 2.460 -26.081 1.00 0.00 H +ATOM 3432 OG SER A 213 37.776 2.339 -24.531 1.00 0.00 O +ATOM 3433 HG SER A 213 37.262 3.085 -24.847 1.00 0.00 H +ATOM 3434 C SER A 213 37.826 0.277 -27.768 1.00 0.00 C +ATOM 3435 O SER A 213 38.685 0.787 -28.512 1.00 0.00 O +ATOM 3436 N GLN A 214 37.193 -0.844 -28.049 1.00 0.00 N +ATOM 3437 H GLN A 214 36.439 -1.157 -27.454 1.00 0.00 H +ATOM 3438 CA GLN A 214 37.557 -1.832 -29.105 1.00 0.00 C +ATOM 3439 HA GLN A 214 38.416 -1.345 -29.567 1.00 0.00 H +ATOM 3440 CB GLN A 214 38.237 -3.016 -28.361 1.00 0.00 C +ATOM 3441 HB2 GLN A 214 38.653 -2.734 -27.394 1.00 0.00 H +ATOM 3442 HB3 GLN A 214 37.381 -3.581 -27.990 1.00 0.00 H +ATOM 3443 CG GLN A 214 38.994 -3.904 -29.292 1.00 0.00 C +ATOM 3444 HG2 GLN A 214 38.446 -4.201 -30.186 1.00 0.00 H +ATOM 3445 HG3 GLN A 214 39.863 -3.361 -29.662 1.00 0.00 H +ATOM 3446 CD GLN A 214 39.484 -5.286 -28.656 1.00 0.00 C +ATOM 3447 OE1 GLN A 214 39.011 -5.818 -27.646 1.00 0.00 O +ATOM 3448 NE2 GLN A 214 40.577 -5.839 -29.182 1.00 0.00 N +ATOM 3449 HE21 GLN A 214 40.708 -6.824 -29.003 1.00 0.00 H +ATOM 3450 HE22 GLN A 214 41.011 -5.467 -30.015 1.00 0.00 H +ATOM 3451 C GLN A 214 36.463 -2.171 -30.121 1.00 0.00 C +ATOM 3452 O GLN A 214 36.673 -3.030 -30.977 1.00 0.00 O +ATOM 3453 N VAL A 215 35.212 -1.634 -29.969 1.00 0.00 N +ATOM 3454 H VAL A 215 35.028 -1.091 -29.137 1.00 0.00 H +ATOM 3455 CA VAL A 215 34.042 -2.161 -30.719 1.00 0.00 C +ATOM 3456 HA VAL A 215 34.086 -3.249 -30.741 1.00 0.00 H +ATOM 3457 CB VAL A 215 32.696 -1.757 -30.029 1.00 0.00 C +ATOM 3458 HB VAL A 215 32.457 -0.713 -30.231 1.00 0.00 H +ATOM 3459 CG1 VAL A 215 31.542 -2.594 -30.587 1.00 0.00 C +ATOM 3460 HG11 VAL A 215 31.427 -2.322 -31.636 1.00 0.00 H +ATOM 3461 HG12 VAL A 215 31.791 -3.637 -30.393 1.00 0.00 H +ATOM 3462 HG13 VAL A 215 30.695 -2.352 -29.944 1.00 0.00 H +ATOM 3463 CG2 VAL A 215 32.680 -1.843 -28.517 1.00 0.00 C +ATOM 3464 HG21 VAL A 215 32.879 -2.851 -28.155 1.00 0.00 H +ATOM 3465 HG22 VAL A 215 33.348 -1.048 -28.188 1.00 0.00 H +ATOM 3466 HG23 VAL A 215 31.683 -1.555 -28.184 1.00 0.00 H +ATOM 3467 C VAL A 215 34.013 -1.628 -32.184 1.00 0.00 C +ATOM 3468 O VAL A 215 34.071 -2.382 -33.185 1.00 0.00 O +ATOM 3469 N TYR A 216 34.287 -0.338 -32.315 1.00 0.00 N +ATOM 3470 H TYR A 216 34.386 0.187 -31.458 1.00 0.00 H +ATOM 3471 CA TYR A 216 34.367 0.453 -33.562 1.00 0.00 C +ATOM 3472 HA TYR A 216 33.325 0.392 -33.874 1.00 0.00 H +ATOM 3473 CB TYR A 216 34.670 1.850 -33.140 1.00 0.00 C +ATOM 3474 HB2 TYR A 216 33.912 2.132 -32.409 1.00 0.00 H +ATOM 3475 HB3 TYR A 216 35.650 1.940 -32.671 1.00 0.00 H +ATOM 3476 CG TYR A 216 34.444 2.926 -34.247 1.00 0.00 C +ATOM 3477 CD1 TYR A 216 33.175 3.456 -34.531 1.00 0.00 C +ATOM 3478 HD1 TYR A 216 32.312 3.252 -33.915 1.00 0.00 H +ATOM 3479 CE1 TYR A 216 32.964 4.270 -35.683 1.00 0.00 C +ATOM 3480 HE1 TYR A 216 31.975 4.616 -35.945 1.00 0.00 H +ATOM 3481 CZ TYR A 216 34.067 4.754 -36.377 1.00 0.00 C +ATOM 3482 OH TYR A 216 33.753 5.622 -37.307 1.00 0.00 O +ATOM 3483 HH TYR A 216 34.478 5.705 -37.931 1.00 0.00 H +ATOM 3484 CE2 TYR A 216 35.337 4.272 -36.089 1.00 0.00 C +ATOM 3485 HE2 TYR A 216 36.151 4.499 -36.761 1.00 0.00 H +ATOM 3486 CD2 TYR A 216 35.488 3.252 -35.125 1.00 0.00 C +ATOM 3487 HD2 TYR A 216 36.537 3.011 -35.031 1.00 0.00 H +ATOM 3488 C TYR A 216 35.306 -0.066 -34.680 1.00 0.00 C +ATOM 3489 O TYR A 216 34.787 -0.398 -35.713 1.00 0.00 O +ATOM 3490 N GLU A 217 36.596 -0.239 -34.414 1.00 0.00 N +ATOM 3491 H GLU A 217 36.995 0.080 -33.543 1.00 0.00 H +ATOM 3492 CA GLU A 217 37.540 -0.750 -35.417 1.00 0.00 C +ATOM 3493 HA GLU A 217 37.417 -0.210 -36.356 1.00 0.00 H +ATOM 3494 CB GLU A 217 38.954 -0.687 -34.747 1.00 0.00 C +ATOM 3495 HB2 GLU A 217 39.724 -0.805 -35.509 1.00 0.00 H +ATOM 3496 HB3 GLU A 217 39.210 0.242 -34.237 1.00 0.00 H +ATOM 3497 CG GLU A 217 39.175 -1.750 -33.643 1.00 0.00 C +ATOM 3498 HG2 GLU A 217 38.290 -1.697 -33.009 1.00 0.00 H +ATOM 3499 HG3 GLU A 217 39.338 -2.712 -34.129 1.00 0.00 H +ATOM 3500 CD GLU A 217 40.302 -1.473 -32.744 1.00 0.00 C +ATOM 3501 OE1 GLU A 217 41.252 -2.252 -32.821 1.00 0.00 O +ATOM 3502 OE2 GLU A 217 40.370 -0.423 -32.098 1.00 0.00 O +ATOM 3503 C GLU A 217 37.305 -2.185 -35.900 1.00 0.00 C +ATOM 3504 O GLU A 217 37.597 -2.494 -37.053 1.00 0.00 O +ATOM 3505 N LEU A 218 36.819 -3.067 -35.099 1.00 0.00 N +ATOM 3506 H LEU A 218 36.607 -2.815 -34.145 1.00 0.00 H +ATOM 3507 CA LEU A 218 36.550 -4.452 -35.530 1.00 0.00 C +ATOM 3508 HA LEU A 218 37.364 -4.886 -36.111 1.00 0.00 H +ATOM 3509 CB LEU A 218 36.387 -5.276 -34.248 1.00 0.00 C +ATOM 3510 HB2 LEU A 218 35.602 -4.792 -33.666 1.00 0.00 H +ATOM 3511 HB3 LEU A 218 36.062 -6.270 -34.555 1.00 0.00 H +ATOM 3512 CG LEU A 218 37.641 -5.496 -33.367 1.00 0.00 C +ATOM 3513 HG LEU A 218 38.027 -4.515 -33.090 1.00 0.00 H +ATOM 3514 CD1 LEU A 218 37.140 -6.166 -32.058 1.00 0.00 C +ATOM 3515 HD11 LEU A 218 36.586 -7.078 -32.279 1.00 0.00 H +ATOM 3516 HD12 LEU A 218 37.928 -6.385 -31.338 1.00 0.00 H +ATOM 3517 HD13 LEU A 218 36.482 -5.482 -31.521 1.00 0.00 H +ATOM 3518 CD2 LEU A 218 38.803 -6.399 -33.902 1.00 0.00 C +ATOM 3519 HD21 LEU A 218 38.588 -7.464 -33.819 1.00 0.00 H +ATOM 3520 HD22 LEU A 218 39.128 -6.145 -34.911 1.00 0.00 H +ATOM 3521 HD23 LEU A 218 39.747 -6.223 -33.385 1.00 0.00 H +ATOM 3522 C LEU A 218 35.268 -4.521 -36.415 1.00 0.00 C +ATOM 3523 O LEU A 218 35.196 -5.230 -37.376 1.00 0.00 O +ATOM 3524 N LEU A 219 34.242 -3.707 -36.109 1.00 0.00 N +ATOM 3525 H LEU A 219 34.244 -3.153 -35.264 1.00 0.00 H +ATOM 3526 CA LEU A 219 33.071 -3.573 -36.981 1.00 0.00 C +ATOM 3527 HA LEU A 219 32.730 -4.560 -37.294 1.00 0.00 H +ATOM 3528 CB LEU A 219 31.917 -2.735 -36.338 1.00 0.00 C +ATOM 3529 HB2 LEU A 219 32.349 -1.737 -36.266 1.00 0.00 H +ATOM 3530 HB3 LEU A 219 31.020 -2.718 -36.957 1.00 0.00 H +ATOM 3531 CG LEU A 219 31.360 -3.012 -34.896 1.00 0.00 C +ATOM 3532 HG LEU A 219 32.180 -3.123 -34.188 1.00 0.00 H +ATOM 3533 CD1 LEU A 219 30.548 -1.774 -34.591 1.00 0.00 C +ATOM 3534 HD11 LEU A 219 31.226 -0.923 -34.647 1.00 0.00 H +ATOM 3535 HD12 LEU A 219 29.853 -1.658 -35.423 1.00 0.00 H +ATOM 3536 HD13 LEU A 219 30.097 -1.953 -33.615 1.00 0.00 H +ATOM 3537 CD2 LEU A 219 30.614 -4.323 -34.815 1.00 0.00 C +ATOM 3538 HD21 LEU A 219 30.169 -4.653 -35.753 1.00 0.00 H +ATOM 3539 HD22 LEU A 219 31.253 -5.146 -34.495 1.00 0.00 H +ATOM 3540 HD23 LEU A 219 29.865 -4.250 -34.026 1.00 0.00 H +ATOM 3541 C LEU A 219 33.445 -2.885 -38.296 1.00 0.00 C +ATOM 3542 O LEU A 219 32.888 -3.304 -39.343 1.00 0.00 O +ATOM 3543 N GLU A 220 34.335 -1.920 -38.210 1.00 0.00 N +ATOM 3544 H GLU A 220 34.619 -1.626 -37.286 1.00 0.00 H +ATOM 3545 CA GLU A 220 34.733 -1.095 -39.457 1.00 0.00 C +ATOM 3546 HA GLU A 220 33.835 -0.654 -39.888 1.00 0.00 H +ATOM 3547 CB GLU A 220 35.732 0.037 -39.145 1.00 0.00 C +ATOM 3548 HB2 GLU A 220 35.288 0.645 -38.356 1.00 0.00 H +ATOM 3549 HB3 GLU A 220 36.629 -0.480 -38.803 1.00 0.00 H +ATOM 3550 CG GLU A 220 36.193 0.983 -40.196 1.00 0.00 C +ATOM 3551 HG2 GLU A 220 36.415 0.472 -41.133 1.00 0.00 H +ATOM 3552 HG3 GLU A 220 35.299 1.555 -40.445 1.00 0.00 H +ATOM 3553 CD GLU A 220 37.283 1.953 -39.850 1.00 0.00 C +ATOM 3554 OE1 GLU A 220 38.456 1.562 -39.565 1.00 0.00 O +ATOM 3555 OE2 GLU A 220 37.066 3.152 -40.060 1.00 0.00 O +ATOM 3556 C GLU A 220 35.301 -1.954 -40.588 1.00 0.00 C +ATOM 3557 O GLU A 220 35.348 -1.567 -41.756 1.00 0.00 O +ATOM 3558 N LYS A 221 35.729 -3.174 -40.236 1.00 0.00 N +ATOM 3559 H LYS A 221 35.570 -3.374 -39.259 1.00 0.00 H +ATOM 3560 CA LYS A 221 36.271 -4.181 -41.155 1.00 0.00 C +ATOM 3561 HA LYS A 221 36.463 -3.745 -42.136 1.00 0.00 H +ATOM 3562 CB LYS A 221 37.659 -4.587 -40.618 1.00 0.00 C +ATOM 3563 HB2 LYS A 221 37.643 -5.158 -39.689 1.00 0.00 H +ATOM 3564 HB3 LYS A 221 37.971 -5.314 -41.368 1.00 0.00 H +ATOM 3565 CG LYS A 221 38.724 -3.473 -40.434 1.00 0.00 C +ATOM 3566 HG2 LYS A 221 38.331 -2.666 -39.815 1.00 0.00 H +ATOM 3567 HG3 LYS A 221 39.585 -3.806 -39.856 1.00 0.00 H +ATOM 3568 CD LYS A 221 39.258 -3.009 -41.816 1.00 0.00 C +ATOM 3569 HD2 LYS A 221 39.424 -3.910 -42.407 1.00 0.00 H +ATOM 3570 HD3 LYS A 221 38.508 -2.341 -42.238 1.00 0.00 H +ATOM 3571 CE LYS A 221 40.605 -2.429 -41.575 1.00 0.00 C +ATOM 3572 HE2 LYS A 221 40.522 -1.648 -40.818 1.00 0.00 H +ATOM 3573 HE3 LYS A 221 41.301 -3.223 -41.307 1.00 0.00 H +ATOM 3574 NZ LYS A 221 41.146 -1.823 -42.769 1.00 0.00 N +ATOM 3575 HZ1 LYS A 221 41.919 -1.291 -42.395 1.00 0.00 H +ATOM 3576 HZ2 LYS A 221 41.490 -2.437 -43.493 1.00 0.00 H +ATOM 3577 HZ3 LYS A 221 40.438 -1.239 -43.189 1.00 0.00 H +ATOM 3578 C LYS A 221 35.329 -5.411 -41.374 1.00 0.00 C +ATOM 3579 O LYS A 221 35.662 -6.563 -41.457 1.00 0.00 O +ATOM 3580 N ASP A 222 34.003 -5.177 -41.295 1.00 0.00 N +ATOM 3581 H ASP A 222 33.585 -4.329 -40.938 1.00 0.00 H +ATOM 3582 CA ASP A 222 32.966 -6.114 -41.694 1.00 0.00 C +ATOM 3583 HA ASP A 222 32.059 -5.525 -41.553 1.00 0.00 H +ATOM 3584 CB ASP A 222 32.964 -6.497 -43.201 1.00 0.00 C +ATOM 3585 HB2 ASP A 222 33.732 -7.236 -43.426 1.00 0.00 H +ATOM 3586 HB3 ASP A 222 32.006 -7.009 -43.291 1.00 0.00 H +ATOM 3587 CG ASP A 222 33.026 -5.383 -44.226 1.00 0.00 C +ATOM 3588 OD1 ASP A 222 32.403 -4.294 -43.959 1.00 0.00 O +ATOM 3589 OD2 ASP A 222 33.781 -5.547 -45.221 1.00 0.00 O +ATOM 3590 C ASP A 222 32.791 -7.386 -40.814 1.00 0.00 C +ATOM 3591 O ASP A 222 32.131 -8.372 -41.229 1.00 0.00 O +ATOM 3592 N TYR A 223 33.461 -7.455 -39.622 1.00 0.00 N +ATOM 3593 H TYR A 223 33.953 -6.674 -39.213 1.00 0.00 H +ATOM 3594 CA TYR A 223 33.010 -8.436 -38.590 1.00 0.00 C +ATOM 3595 HA TYR A 223 32.828 -9.370 -39.123 1.00 0.00 H +ATOM 3596 CB TYR A 223 34.109 -8.513 -37.522 1.00 0.00 C +ATOM 3597 HB2 TYR A 223 34.874 -9.123 -38.002 1.00 0.00 H +ATOM 3598 HB3 TYR A 223 34.403 -7.467 -37.437 1.00 0.00 H +ATOM 3599 CG TYR A 223 33.750 -9.031 -36.145 1.00 0.00 C +ATOM 3600 CD1 TYR A 223 33.331 -10.369 -35.903 1.00 0.00 C +ATOM 3601 HD1 TYR A 223 33.283 -11.118 -36.680 1.00 0.00 H +ATOM 3602 CE1 TYR A 223 32.813 -10.739 -34.664 1.00 0.00 C +ATOM 3603 HE1 TYR A 223 32.668 -11.795 -34.493 1.00 0.00 H +ATOM 3604 CZ TYR A 223 32.714 -9.781 -33.647 1.00 0.00 C +ATOM 3605 OH TYR A 223 32.018 -10.035 -32.492 1.00 0.00 O +ATOM 3606 HH TYR A 223 31.690 -10.924 -32.339 1.00 0.00 H +ATOM 3607 CE2 TYR A 223 32.990 -8.487 -33.895 1.00 0.00 C +ATOM 3608 HE2 TYR A 223 32.677 -7.725 -33.197 1.00 0.00 H +ATOM 3609 CD2 TYR A 223 33.536 -8.095 -35.130 1.00 0.00 C +ATOM 3610 HD2 TYR A 223 33.707 -7.047 -35.325 1.00 0.00 H +ATOM 3611 C TYR A 223 31.648 -8.050 -37.935 1.00 0.00 C +ATOM 3612 O TYR A 223 31.352 -6.869 -37.753 1.00 0.00 O +ATOM 3613 N ARG A 224 30.842 -9.085 -37.686 1.00 0.00 N +ATOM 3614 H ARG A 224 31.294 -9.945 -37.962 1.00 0.00 H +ATOM 3615 CA ARG A 224 29.546 -9.073 -36.960 1.00 0.00 C +ATOM 3616 HA ARG A 224 29.649 -8.340 -36.161 1.00 0.00 H +ATOM 3617 CB ARG A 224 28.308 -8.881 -37.909 1.00 0.00 C +ATOM 3618 HB2 ARG A 224 28.125 -9.691 -38.615 1.00 0.00 H +ATOM 3619 HB3 ARG A 224 27.464 -8.874 -37.219 1.00 0.00 H +ATOM 3620 CG ARG A 224 28.337 -7.568 -38.783 1.00 0.00 C +ATOM 3621 HG2 ARG A 224 29.314 -7.642 -39.261 1.00 0.00 H +ATOM 3622 HG3 ARG A 224 27.486 -7.542 -39.463 1.00 0.00 H +ATOM 3623 CD ARG A 224 28.243 -6.275 -37.915 1.00 0.00 C +ATOM 3624 HD2 ARG A 224 27.348 -6.227 -37.296 1.00 0.00 H +ATOM 3625 HD3 ARG A 224 29.112 -6.157 -37.268 1.00 0.00 H +ATOM 3626 NE ARG A 224 28.040 -5.083 -38.876 1.00 0.00 N +ATOM 3627 HE ARG A 224 27.132 -4.645 -38.933 1.00 0.00 H +ATOM 3628 CZ ARG A 224 29.001 -4.506 -39.646 1.00 0.00 C +ATOM 3629 NH1 ARG A 224 30.261 -4.845 -39.442 1.00 0.00 N +ATOM 3630 HH11 ARG A 224 30.496 -5.570 -38.778 1.00 0.00 H +ATOM 3631 HH12 ARG A 224 31.001 -4.348 -39.917 1.00 0.00 H +ATOM 3632 NH2 ARG A 224 28.691 -3.654 -40.543 1.00 0.00 N +ATOM 3633 HH21 ARG A 224 27.712 -3.509 -40.741 1.00 0.00 H +ATOM 3634 HH22 ARG A 224 29.460 -3.228 -41.041 1.00 0.00 H +ATOM 3635 C ARG A 224 29.385 -10.354 -36.169 1.00 0.00 C +ATOM 3636 O ARG A 224 29.896 -11.336 -36.629 1.00 0.00 O +ATOM 3637 N MET A 225 28.572 -10.372 -35.077 1.00 0.00 N +ATOM 3638 H MET A 225 27.904 -9.615 -35.047 1.00 0.00 H +ATOM 3639 CA MET A 225 28.237 -11.621 -34.335 1.00 0.00 C +ATOM 3640 HA MET A 225 29.160 -11.931 -33.846 1.00 0.00 H +ATOM 3641 CB MET A 225 27.280 -11.337 -33.160 1.00 0.00 C +ATOM 3642 HB2 MET A 225 26.340 -11.026 -33.615 1.00 0.00 H +ATOM 3643 HB3 MET A 225 27.157 -12.214 -32.526 1.00 0.00 H +ATOM 3644 CG MET A 225 27.829 -10.204 -32.223 1.00 0.00 C +ATOM 3645 HG2 MET A 225 28.900 -10.306 -32.050 1.00 0.00 H +ATOM 3646 HG3 MET A 225 27.748 -9.334 -32.876 1.00 0.00 H +ATOM 3647 SD MET A 225 26.652 -9.891 -30.784 1.00 0.00 S +ATOM 3648 CE MET A 225 25.143 -9.029 -31.474 1.00 0.00 C +ATOM 3649 HE1 MET A 225 24.514 -8.590 -30.699 1.00 0.00 H +ATOM 3650 HE2 MET A 225 25.481 -8.281 -32.191 1.00 0.00 H +ATOM 3651 HE3 MET A 225 24.642 -9.890 -31.916 1.00 0.00 H +ATOM 3652 C MET A 225 27.604 -12.736 -35.127 1.00 0.00 C +ATOM 3653 O MET A 225 26.565 -12.530 -35.731 1.00 0.00 O +ATOM 3654 N GLU A 226 28.227 -13.894 -35.008 1.00 0.00 N +ATOM 3655 H GLU A 226 29.130 -13.998 -34.568 1.00 0.00 H +ATOM 3656 CA GLU A 226 27.729 -15.139 -35.510 1.00 0.00 C +ATOM 3657 HA GLU A 226 27.814 -15.071 -36.594 1.00 0.00 H +ATOM 3658 CB GLU A 226 28.669 -16.278 -35.088 1.00 0.00 C +ATOM 3659 HB2 GLU A 226 28.294 -17.132 -35.653 1.00 0.00 H +ATOM 3660 HB3 GLU A 226 29.705 -16.128 -35.392 1.00 0.00 H +ATOM 3661 CG GLU A 226 28.651 -16.600 -33.591 1.00 0.00 C +ATOM 3662 HG2 GLU A 226 27.712 -17.085 -33.321 1.00 0.00 H +ATOM 3663 HG3 GLU A 226 29.359 -17.394 -33.357 1.00 0.00 H +ATOM 3664 CD GLU A 226 29.109 -15.484 -32.647 1.00 0.00 C +ATOM 3665 OE1 GLU A 226 28.644 -15.611 -31.477 1.00 0.00 O +ATOM 3666 OE2 GLU A 226 30.014 -14.654 -32.843 1.00 0.00 O +ATOM 3667 C GLU A 226 26.241 -15.349 -35.158 1.00 0.00 C +ATOM 3668 O GLU A 226 25.699 -15.042 -34.044 1.00 0.00 O +ATOM 3669 N ARG A 227 25.533 -15.984 -36.097 1.00 0.00 N +ATOM 3670 H ARG A 227 26.075 -16.115 -36.940 1.00 0.00 H +ATOM 3671 CA ARG A 227 24.082 -16.333 -36.009 1.00 0.00 C +ATOM 3672 HA ARG A 227 23.473 -15.432 -35.938 1.00 0.00 H +ATOM 3673 CB ARG A 227 23.624 -17.039 -37.314 1.00 0.00 C +ATOM 3674 HB2 ARG A 227 23.878 -16.342 -38.112 1.00 0.00 H +ATOM 3675 HB3 ARG A 227 24.164 -17.967 -37.503 1.00 0.00 H +ATOM 3676 CG ARG A 227 22.157 -17.398 -37.528 1.00 0.00 C +ATOM 3677 HG2 ARG A 227 21.824 -18.014 -36.692 1.00 0.00 H +ATOM 3678 HG3 ARG A 227 21.567 -16.490 -37.398 1.00 0.00 H +ATOM 3679 CD ARG A 227 22.000 -18.146 -38.888 1.00 0.00 C +ATOM 3680 HD2 ARG A 227 20.926 -18.124 -39.076 1.00 0.00 H +ATOM 3681 HD3 ARG A 227 22.613 -17.644 -39.636 1.00 0.00 H +ATOM 3682 NE ARG A 227 22.457 -19.514 -38.897 1.00 0.00 N +ATOM 3683 HE ARG A 227 23.136 -19.700 -39.621 1.00 0.00 H +ATOM 3684 CZ ARG A 227 21.925 -20.497 -38.296 1.00 0.00 C +ATOM 3685 NH1 ARG A 227 20.895 -20.447 -37.522 1.00 0.00 N +ATOM 3686 HH11 ARG A 227 20.449 -19.547 -37.411 1.00 0.00 H +ATOM 3687 HH12 ARG A 227 20.613 -21.121 -36.825 1.00 0.00 H +ATOM 3688 NH2 ARG A 227 22.588 -21.629 -38.436 1.00 0.00 N +ATOM 3689 HH21 ARG A 227 23.366 -21.687 -39.076 1.00 0.00 H +ATOM 3690 HH22 ARG A 227 22.482 -22.442 -37.846 1.00 0.00 H +ATOM 3691 C ARG A 227 23.897 -17.215 -34.771 1.00 0.00 C +ATOM 3692 O ARG A 227 24.538 -18.239 -34.652 1.00 0.00 O +ATOM 3693 N PRO A 228 22.965 -16.935 -33.872 1.00 0.00 N +ATOM 3694 CD PRO A 228 22.425 -15.657 -33.615 1.00 0.00 C +ATOM 3695 HD2 PRO A 228 21.655 -15.572 -34.383 1.00 0.00 H +ATOM 3696 HD3 PRO A 228 23.080 -14.800 -33.769 1.00 0.00 H +ATOM 3697 CG PRO A 228 21.956 -15.706 -32.175 1.00 0.00 C +ATOM 3698 HG2 PRO A 228 21.124 -15.023 -32.008 1.00 0.00 H +ATOM 3699 HG3 PRO A 228 22.815 -15.472 -31.546 1.00 0.00 H +ATOM 3700 CB PRO A 228 21.564 -17.171 -32.008 1.00 0.00 C +ATOM 3701 HB2 PRO A 228 20.612 -17.479 -32.440 1.00 0.00 H +ATOM 3702 HB3 PRO A 228 21.650 -17.498 -30.971 1.00 0.00 H +ATOM 3703 CA PRO A 228 22.684 -17.885 -32.789 1.00 0.00 C +ATOM 3704 HA PRO A 228 23.529 -18.095 -32.134 1.00 0.00 H +ATOM 3705 C PRO A 228 22.183 -19.122 -33.299 1.00 0.00 C +ATOM 3706 O PRO A 228 21.477 -19.216 -34.286 1.00 0.00 O +ATOM 3707 N GLU A 229 22.375 -20.193 -32.525 1.00 0.00 N +ATOM 3708 H GLU A 229 22.960 -20.111 -31.706 1.00 0.00 H +ATOM 3709 CA GLU A 229 21.465 -21.354 -32.590 1.00 0.00 C +ATOM 3710 HA GLU A 229 21.394 -21.680 -33.628 1.00 0.00 H +ATOM 3711 CB GLU A 229 21.978 -22.524 -31.839 1.00 0.00 C +ATOM 3712 HB2 GLU A 229 22.880 -22.903 -32.319 1.00 0.00 H +ATOM 3713 HB3 GLU A 229 22.159 -22.163 -30.826 1.00 0.00 H +ATOM 3714 CG GLU A 229 21.078 -23.756 -31.796 1.00 0.00 C +ATOM 3715 HG2 GLU A 229 21.752 -24.479 -31.338 1.00 0.00 H +ATOM 3716 HG3 GLU A 229 20.223 -23.567 -31.147 1.00 0.00 H +ATOM 3717 CD GLU A 229 20.584 -24.185 -33.182 1.00 0.00 C +ATOM 3718 OE1 GLU A 229 21.281 -24.138 -34.260 1.00 0.00 O +ATOM 3719 OE2 GLU A 229 19.403 -24.660 -33.134 1.00 0.00 O +ATOM 3720 C GLU A 229 20.057 -20.931 -32.098 1.00 0.00 C +ATOM 3721 O GLU A 229 19.929 -20.196 -31.115 1.00 0.00 O +ATOM 3722 N GLY A 230 19.010 -21.299 -32.861 1.00 0.00 N +ATOM 3723 H GLY A 230 19.224 -21.822 -33.698 1.00 0.00 H +ATOM 3724 CA GLY A 230 17.704 -20.833 -32.594 1.00 0.00 C +ATOM 3725 HA2 GLY A 230 16.928 -21.507 -32.958 1.00 0.00 H +ATOM 3726 HA3 GLY A 230 17.630 -20.671 -31.519 1.00 0.00 H +ATOM 3727 C GLY A 230 17.356 -19.498 -33.240 1.00 0.00 C +ATOM 3728 O GLY A 230 16.523 -18.786 -32.711 1.00 0.00 O +ATOM 3729 N CYS A 231 18.043 -19.127 -34.306 1.00 0.00 N +ATOM 3730 H CYS A 231 18.780 -19.771 -34.555 1.00 0.00 H +ATOM 3731 CA CYS A 231 17.745 -18.002 -35.249 1.00 0.00 C +ATOM 3732 HA CYS A 231 16.788 -17.660 -34.856 1.00 0.00 H +ATOM 3733 CB CYS A 231 18.919 -16.930 -34.959 1.00 0.00 C +ATOM 3734 HB2 CYS A 231 18.752 -16.825 -33.887 1.00 0.00 H +ATOM 3735 HB3 CYS A 231 19.908 -17.359 -35.120 1.00 0.00 H +ATOM 3736 SG CYS A 231 18.614 -15.412 -35.987 1.00 0.00 S +ATOM 3737 HG CYS A 231 18.484 -14.670 -34.883 1.00 0.00 H +ATOM 3738 C CYS A 231 17.677 -18.350 -36.731 1.00 0.00 C +ATOM 3739 O CYS A 231 18.724 -18.643 -37.267 1.00 0.00 O +ATOM 3740 N PRO A 232 16.431 -18.354 -37.347 1.00 0.00 N +ATOM 3741 CD PRO A 232 15.161 -18.179 -36.751 1.00 0.00 C +ATOM 3742 HD2 PRO A 232 15.059 -17.127 -36.484 1.00 0.00 H +ATOM 3743 HD3 PRO A 232 15.015 -18.838 -35.895 1.00 0.00 H +ATOM 3744 CG PRO A 232 14.067 -18.521 -37.843 1.00 0.00 C +ATOM 3745 HG2 PRO A 232 13.415 -17.652 -37.930 1.00 0.00 H +ATOM 3746 HG3 PRO A 232 13.532 -19.467 -37.765 1.00 0.00 H +ATOM 3747 CB PRO A 232 14.867 -18.840 -39.092 1.00 0.00 C +ATOM 3748 HB2 PRO A 232 14.647 -18.088 -39.850 1.00 0.00 H +ATOM 3749 HB3 PRO A 232 14.688 -19.836 -39.498 1.00 0.00 H +ATOM 3750 CA PRO A 232 16.387 -18.857 -38.734 1.00 0.00 C +ATOM 3751 HA PRO A 232 16.699 -19.896 -38.623 1.00 0.00 H +ATOM 3752 C PRO A 232 17.296 -18.010 -39.755 1.00 0.00 C +ATOM 3753 O PRO A 232 17.395 -16.746 -39.540 1.00 0.00 O +ATOM 3754 N GLU A 233 17.857 -18.580 -40.875 1.00 0.00 N +ATOM 3755 H GLU A 233 17.782 -19.579 -41.004 1.00 0.00 H +ATOM 3756 CA GLU A 233 18.473 -17.904 -41.981 1.00 0.00 C +ATOM 3757 HA GLU A 233 19.427 -17.582 -41.564 1.00 0.00 H +ATOM 3758 CB GLU A 233 18.781 -18.861 -43.066 1.00 0.00 C +ATOM 3759 HB2 GLU A 233 17.843 -19.367 -43.295 1.00 0.00 H +ATOM 3760 HB3 GLU A 233 19.047 -18.372 -44.004 1.00 0.00 H +ATOM 3761 CG GLU A 233 19.876 -19.927 -42.918 1.00 0.00 C +ATOM 3762 HG2 GLU A 233 19.550 -20.636 -42.157 1.00 0.00 H +ATOM 3763 HG3 GLU A 233 19.899 -20.462 -43.867 1.00 0.00 H +ATOM 3764 CD GLU A 233 21.262 -19.413 -42.547 1.00 0.00 C +ATOM 3765 OE1 GLU A 233 21.395 -18.184 -42.269 1.00 0.00 O +ATOM 3766 OE2 GLU A 233 22.270 -20.175 -42.653 1.00 0.00 O +ATOM 3767 C GLU A 233 17.798 -16.651 -42.452 1.00 0.00 C +ATOM 3768 O GLU A 233 18.389 -15.607 -42.580 1.00 0.00 O +ATOM 3769 N LYS A 234 16.503 -16.681 -42.711 1.00 0.00 N +ATOM 3770 H LYS A 234 16.025 -17.524 -42.427 1.00 0.00 H +ATOM 3771 CA LYS A 234 15.671 -15.573 -43.106 1.00 0.00 C +ATOM 3772 HA LYS A 234 16.140 -15.191 -44.013 1.00 0.00 H +ATOM 3773 CB LYS A 234 14.222 -15.933 -43.480 1.00 0.00 C +ATOM 3774 HB2 LYS A 234 14.220 -16.806 -44.133 1.00 0.00 H +ATOM 3775 HB3 LYS A 234 13.822 -16.294 -42.532 1.00 0.00 H +ATOM 3776 CG LYS A 234 13.311 -14.845 -44.123 1.00 0.00 C +ATOM 3777 HG2 LYS A 234 12.629 -14.445 -43.373 1.00 0.00 H +ATOM 3778 HG3 LYS A 234 13.908 -14.097 -44.645 1.00 0.00 H +ATOM 3779 CD LYS A 234 12.277 -15.558 -45.057 1.00 0.00 C +ATOM 3780 HD2 LYS A 234 12.686 -16.051 -45.939 1.00 0.00 H +ATOM 3781 HD3 LYS A 234 11.830 -16.373 -44.488 1.00 0.00 H +ATOM 3782 CE LYS A 234 11.148 -14.657 -45.505 1.00 0.00 C +ATOM 3783 HE2 LYS A 234 10.589 -14.197 -44.690 1.00 0.00 H +ATOM 3784 HE3 LYS A 234 11.579 -13.803 -46.027 1.00 0.00 H +ATOM 3785 NZ LYS A 234 10.129 -15.436 -46.279 1.00 0.00 N +ATOM 3786 HZ1 LYS A 234 9.510 -16.050 -45.768 1.00 0.00 H +ATOM 3787 HZ2 LYS A 234 9.417 -14.855 -46.697 1.00 0.00 H +ATOM 3788 HZ3 LYS A 234 10.625 -16.047 -46.911 1.00 0.00 H +ATOM 3789 C LYS A 234 15.591 -14.438 -42.067 1.00 0.00 C +ATOM 3790 O LYS A 234 15.336 -13.292 -42.436 1.00 0.00 O +ATOM 3791 N VAL A 235 15.782 -14.761 -40.783 1.00 0.00 N +ATOM 3792 H VAL A 235 15.959 -15.706 -40.474 1.00 0.00 H +ATOM 3793 CA VAL A 235 15.909 -13.719 -39.740 1.00 0.00 C +ATOM 3794 HA VAL A 235 15.488 -12.759 -40.038 1.00 0.00 H +ATOM 3795 CB VAL A 235 15.361 -14.024 -38.310 1.00 0.00 C +ATOM 3796 HB VAL A 235 15.941 -14.845 -37.888 1.00 0.00 H +ATOM 3797 CG1 VAL A 235 15.367 -12.903 -37.236 1.00 0.00 C +ATOM 3798 HG11 VAL A 235 14.781 -12.012 -37.462 1.00 0.00 H +ATOM 3799 HG12 VAL A 235 14.941 -13.274 -36.303 1.00 0.00 H +ATOM 3800 HG13 VAL A 235 16.383 -12.577 -37.017 1.00 0.00 H +ATOM 3801 CG2 VAL A 235 13.984 -14.616 -38.412 1.00 0.00 C +ATOM 3802 HG21 VAL A 235 13.269 -13.855 -38.725 1.00 0.00 H +ATOM 3803 HG22 VAL A 235 13.927 -15.558 -38.956 1.00 0.00 H +ATOM 3804 HG23 VAL A 235 13.635 -15.032 -37.467 1.00 0.00 H +ATOM 3805 C VAL A 235 17.382 -13.183 -39.571 1.00 0.00 C +ATOM 3806 O VAL A 235 17.600 -11.981 -39.532 1.00 0.00 O +ATOM 3807 N TYR A 236 18.359 -14.033 -39.630 1.00 0.00 N +ATOM 3808 H TYR A 236 18.254 -15.021 -39.812 1.00 0.00 H +ATOM 3809 CA TYR A 236 19.716 -13.555 -39.743 1.00 0.00 C +ATOM 3810 HA TYR A 236 19.838 -12.943 -38.849 1.00 0.00 H +ATOM 3811 CB TYR A 236 20.726 -14.702 -39.713 1.00 0.00 C +ATOM 3812 HB2 TYR A 236 20.422 -15.360 -38.898 1.00 0.00 H +ATOM 3813 HB3 TYR A 236 20.658 -15.180 -40.690 1.00 0.00 H +ATOM 3814 CG TYR A 236 22.129 -14.252 -39.355 1.00 0.00 C +ATOM 3815 CD1 TYR A 236 22.416 -13.704 -38.092 1.00 0.00 C +ATOM 3816 HD1 TYR A 236 21.601 -13.655 -37.385 1.00 0.00 H +ATOM 3817 CE1 TYR A 236 23.699 -13.243 -37.732 1.00 0.00 C +ATOM 3818 HE1 TYR A 236 23.814 -12.888 -36.719 1.00 0.00 H +ATOM 3819 CZ TYR A 236 24.738 -13.351 -38.664 1.00 0.00 C +ATOM 3820 OH TYR A 236 25.993 -12.973 -38.379 1.00 0.00 O +ATOM 3821 HH TYR A 236 26.238 -12.767 -37.474 1.00 0.00 H +ATOM 3822 CE2 TYR A 236 24.442 -13.978 -39.965 1.00 0.00 C +ATOM 3823 HE2 TYR A 236 25.316 -14.167 -40.572 1.00 0.00 H +ATOM 3824 CD2 TYR A 236 23.163 -14.424 -40.324 1.00 0.00 C +ATOM 3825 HD2 TYR A 236 22.980 -14.953 -41.248 1.00 0.00 H +ATOM 3826 C TYR A 236 20.055 -12.688 -40.942 1.00 0.00 C +ATOM 3827 O TYR A 236 20.801 -11.716 -40.693 1.00 0.00 O +ATOM 3828 N GLU A 237 19.560 -12.942 -42.146 1.00 0.00 N +ATOM 3829 H GLU A 237 19.149 -13.846 -42.333 1.00 0.00 H +ATOM 3830 CA GLU A 237 19.730 -12.080 -43.354 1.00 0.00 C +ATOM 3831 HA GLU A 237 20.788 -11.921 -43.561 1.00 0.00 H +ATOM 3832 CB GLU A 237 19.084 -12.792 -44.568 1.00 0.00 C +ATOM 3833 HB2 GLU A 237 19.733 -13.655 -44.720 1.00 0.00 H +ATOM 3834 HB3 GLU A 237 18.132 -13.167 -44.192 1.00 0.00 H +ATOM 3835 CG GLU A 237 18.787 -12.079 -45.880 1.00 0.00 C +ATOM 3836 HG2 GLU A 237 18.111 -12.802 -46.337 1.00 0.00 H +ATOM 3837 HG3 GLU A 237 18.385 -11.071 -45.775 1.00 0.00 H +ATOM 3838 CD GLU A 237 19.954 -11.805 -46.758 1.00 0.00 C +ATOM 3839 OE1 GLU A 237 20.929 -12.552 -46.665 1.00 0.00 O +ATOM 3840 OE2 GLU A 237 19.946 -10.901 -47.603 1.00 0.00 O +ATOM 3841 C GLU A 237 19.154 -10.637 -43.129 1.00 0.00 C +ATOM 3842 O GLU A 237 19.635 -9.749 -43.753 1.00 0.00 O +ATOM 3843 N LEU A 238 18.122 -10.484 -42.267 1.00 0.00 N +ATOM 3844 H LEU A 238 17.914 -11.293 -41.700 1.00 0.00 H +ATOM 3845 CA LEU A 238 17.473 -9.260 -41.831 1.00 0.00 C +ATOM 3846 HA LEU A 238 17.481 -8.511 -42.622 1.00 0.00 H +ATOM 3847 CB LEU A 238 16.018 -9.680 -41.507 1.00 0.00 C +ATOM 3848 HB2 LEU A 238 15.563 -10.207 -42.346 1.00 0.00 H +ATOM 3849 HB3 LEU A 238 16.116 -10.364 -40.663 1.00 0.00 H +ATOM 3850 CG LEU A 238 15.101 -8.524 -41.030 1.00 0.00 C +ATOM 3851 HG LEU A 238 15.533 -8.042 -40.153 1.00 0.00 H +ATOM 3852 CD1 LEU A 238 14.733 -7.523 -42.139 1.00 0.00 C +ATOM 3853 HD11 LEU A 238 15.615 -7.210 -42.698 1.00 0.00 H +ATOM 3854 HD12 LEU A 238 14.143 -8.025 -42.906 1.00 0.00 H +ATOM 3855 HD13 LEU A 238 14.161 -6.732 -41.653 1.00 0.00 H +ATOM 3856 CD2 LEU A 238 13.815 -9.174 -40.568 1.00 0.00 C +ATOM 3857 HD21 LEU A 238 13.048 -8.471 -40.243 1.00 0.00 H +ATOM 3858 HD22 LEU A 238 13.413 -9.753 -41.399 1.00 0.00 H +ATOM 3859 HD23 LEU A 238 13.973 -9.987 -39.859 1.00 0.00 H +ATOM 3860 C LEU A 238 18.215 -8.659 -40.653 1.00 0.00 C +ATOM 3861 O LEU A 238 18.350 -7.421 -40.655 1.00 0.00 O +ATOM 3862 N MET A 239 18.778 -9.380 -39.758 1.00 0.00 N +ATOM 3863 H MET A 239 18.494 -10.349 -39.774 1.00 0.00 H +ATOM 3864 CA MET A 239 19.681 -8.943 -38.709 1.00 0.00 C +ATOM 3865 HA MET A 239 19.042 -8.231 -38.188 1.00 0.00 H +ATOM 3866 CB MET A 239 20.066 -10.237 -37.829 1.00 0.00 C +ATOM 3867 HB2 MET A 239 19.084 -10.561 -37.486 1.00 0.00 H +ATOM 3868 HB3 MET A 239 20.474 -11.045 -38.437 1.00 0.00 H +ATOM 3869 CG MET A 239 20.860 -9.911 -36.493 1.00 0.00 C +ATOM 3870 HG2 MET A 239 21.800 -9.471 -36.826 1.00 0.00 H +ATOM 3871 HG3 MET A 239 20.373 -9.113 -35.932 1.00 0.00 H +ATOM 3872 SD MET A 239 21.093 -11.511 -35.667 1.00 0.00 S +ATOM 3873 CE MET A 239 19.412 -11.803 -35.067 1.00 0.00 C +ATOM 3874 HE1 MET A 239 19.161 -10.984 -34.392 1.00 0.00 H +ATOM 3875 HE2 MET A 239 18.663 -11.850 -35.857 1.00 0.00 H +ATOM 3876 HE3 MET A 239 19.350 -12.741 -34.515 1.00 0.00 H +ATOM 3877 C MET A 239 20.889 -8.304 -39.310 1.00 0.00 C +ATOM 3878 O MET A 239 21.095 -7.107 -39.062 1.00 0.00 O +ATOM 3879 N ARG A 240 21.569 -8.910 -40.319 1.00 0.00 N +ATOM 3880 H ARG A 240 21.252 -9.838 -40.563 1.00 0.00 H +ATOM 3881 CA ARG A 240 22.658 -8.376 -41.184 1.00 0.00 C +ATOM 3882 HA ARG A 240 23.460 -8.021 -40.536 1.00 0.00 H +ATOM 3883 CB ARG A 240 23.188 -9.481 -42.125 1.00 0.00 C +ATOM 3884 HB2 ARG A 240 22.354 -10.128 -42.396 1.00 0.00 H +ATOM 3885 HB3 ARG A 240 23.513 -9.138 -43.108 1.00 0.00 H +ATOM 3886 CG ARG A 240 24.173 -10.542 -41.611 1.00 0.00 C +ATOM 3887 HG2 ARG A 240 25.028 -10.029 -41.170 1.00 0.00 H +ATOM 3888 HG3 ARG A 240 23.639 -11.087 -40.832 1.00 0.00 H +ATOM 3889 CD ARG A 240 24.666 -11.475 -42.714 1.00 0.00 C +ATOM 3890 HD2 ARG A 240 23.946 -12.252 -42.971 1.00 0.00 H +ATOM 3891 HD3 ARG A 240 24.711 -10.845 -43.602 1.00 0.00 H +ATOM 3892 NE ARG A 240 26.053 -11.915 -42.499 1.00 0.00 N +ATOM 3893 HE ARG A 240 26.135 -12.919 -42.427 1.00 0.00 H +ATOM 3894 CZ ARG A 240 27.204 -11.283 -42.338 1.00 0.00 C +ATOM 3895 NH1 ARG A 240 27.178 -9.984 -42.406 1.00 0.00 N +ATOM 3896 HH11 ARG A 240 26.294 -9.544 -42.619 1.00 0.00 H +ATOM 3897 HH12 ARG A 240 28.055 -9.494 -42.505 1.00 0.00 H +ATOM 3898 NH2 ARG A 240 28.361 -11.872 -42.047 1.00 0.00 N +ATOM 3899 HH21 ARG A 240 28.433 -12.877 -41.974 1.00 0.00 H +ATOM 3900 HH22 ARG A 240 29.191 -11.329 -41.857 1.00 0.00 H +ATOM 3901 C ARG A 240 22.243 -7.173 -41.974 1.00 0.00 C +ATOM 3902 O ARG A 240 23.002 -6.224 -41.997 1.00 0.00 O +ATOM 3903 N ALA A 241 20.957 -7.117 -42.402 1.00 0.00 N +ATOM 3904 H ALA A 241 20.426 -7.970 -42.309 1.00 0.00 H +ATOM 3905 CA ALA A 241 20.434 -5.966 -43.171 1.00 0.00 C +ATOM 3906 HA ALA A 241 21.001 -5.834 -44.093 1.00 0.00 H +ATOM 3907 CB ALA A 241 18.994 -6.321 -43.750 1.00 0.00 C +ATOM 3908 HB1 ALA A 241 18.203 -6.296 -43.000 1.00 0.00 H +ATOM 3909 HB2 ALA A 241 18.661 -5.561 -44.456 1.00 0.00 H +ATOM 3910 HB3 ALA A 241 19.050 -7.272 -44.280 1.00 0.00 H +ATOM 3911 C ALA A 241 20.310 -4.688 -42.330 1.00 0.00 C +ATOM 3912 O ALA A 241 20.661 -3.599 -42.734 1.00 0.00 O +ATOM 3913 N CYS A 242 19.765 -4.828 -41.140 1.00 0.00 N +ATOM 3914 H CYS A 242 19.550 -5.794 -40.938 1.00 0.00 H +ATOM 3915 CA CYS A 242 19.779 -3.846 -40.041 1.00 0.00 C +ATOM 3916 HA CYS A 242 19.190 -3.053 -40.502 1.00 0.00 H +ATOM 3917 CB CYS A 242 19.033 -4.359 -38.811 1.00 0.00 C +ATOM 3918 HB2 CYS A 242 19.562 -5.238 -38.443 1.00 0.00 H +ATOM 3919 HB3 CYS A 242 19.047 -3.584 -38.045 1.00 0.00 H +ATOM 3920 SG CYS A 242 17.339 -4.804 -39.231 1.00 0.00 S +ATOM 3921 HG CYS A 242 17.555 -5.817 -40.074 1.00 0.00 H +ATOM 3922 C CYS A 242 21.200 -3.375 -39.625 1.00 0.00 C +ATOM 3923 O CYS A 242 21.368 -2.282 -39.100 1.00 0.00 O +ATOM 3924 N TRP A 243 22.248 -4.164 -39.921 1.00 0.00 N +ATOM 3925 H TRP A 243 21.992 -5.043 -40.347 1.00 0.00 H +ATOM 3926 CA TRP A 243 23.634 -3.881 -39.632 1.00 0.00 C +ATOM 3927 HA TRP A 243 23.736 -3.115 -38.864 1.00 0.00 H +ATOM 3928 CB TRP A 243 24.230 -5.205 -38.984 1.00 0.00 C +ATOM 3929 HB2 TRP A 243 24.183 -6.130 -39.558 1.00 0.00 H +ATOM 3930 HB3 TRP A 243 25.301 -5.035 -38.875 1.00 0.00 H +ATOM 3931 CG TRP A 243 23.788 -5.660 -37.640 1.00 0.00 C +ATOM 3932 CD1 TRP A 243 23.270 -4.872 -36.628 1.00 0.00 C +ATOM 3933 HD1 TRP A 243 23.136 -3.800 -36.625 1.00 0.00 H +ATOM 3934 NE1 TRP A 243 23.168 -5.629 -35.493 1.00 0.00 N +ATOM 3935 HE1 TRP A 243 22.629 -5.299 -34.705 1.00 0.00 H +ATOM 3936 CE2 TRP A 243 23.404 -6.959 -35.729 1.00 0.00 C +ATOM 3937 CZ2 TRP A 243 23.279 -8.121 -34.931 1.00 0.00 C +ATOM 3938 HZ2 TRP A 243 22.875 -7.962 -33.942 1.00 0.00 H +ATOM 3939 CH2 TRP A 243 23.898 -9.382 -35.316 1.00 0.00 C +ATOM 3940 HH2 TRP A 243 23.890 -10.293 -34.737 1.00 0.00 H +ATOM 3941 CZ3 TRP A 243 24.486 -9.413 -36.614 1.00 0.00 C +ATOM 3942 HZ3 TRP A 243 24.931 -10.332 -36.966 1.00 0.00 H +ATOM 3943 CE3 TRP A 243 24.455 -8.286 -37.445 1.00 0.00 C +ATOM 3944 HE3 TRP A 243 24.862 -8.407 -38.438 1.00 0.00 H +ATOM 3945 CD2 TRP A 243 23.965 -7.024 -37.045 1.00 0.00 C +ATOM 3946 C TRP A 243 24.487 -3.573 -40.891 1.00 0.00 C +ATOM 3947 O TRP A 243 25.709 -3.630 -40.859 1.00 0.00 O +ATOM 3948 N GLN A 244 23.857 -3.221 -42.013 1.00 0.00 N +ATOM 3949 H GLN A 244 22.855 -3.352 -42.025 1.00 0.00 H +ATOM 3950 CA GLN A 244 24.612 -2.496 -43.153 1.00 0.00 C +ATOM 3951 HA GLN A 244 25.342 -3.274 -43.375 1.00 0.00 H +ATOM 3952 CB GLN A 244 23.850 -2.070 -44.389 1.00 0.00 C +ATOM 3953 HB2 GLN A 244 22.851 -1.757 -44.085 1.00 0.00 H +ATOM 3954 HB3 GLN A 244 24.377 -1.170 -44.705 1.00 0.00 H +ATOM 3955 CG GLN A 244 23.540 -3.157 -45.395 1.00 0.00 C +ATOM 3956 HG2 GLN A 244 23.026 -4.049 -45.037 1.00 0.00 H +ATOM 3957 HG3 GLN A 244 22.859 -2.716 -46.123 1.00 0.00 H +ATOM 3958 CD GLN A 244 24.946 -3.588 -46.068 1.00 0.00 C +ATOM 3959 OE1 GLN A 244 26.098 -3.305 -45.765 1.00 0.00 O +ATOM 3960 NE2 GLN A 244 24.829 -4.351 -47.083 1.00 0.00 N +ATOM 3961 HE21 GLN A 244 25.612 -4.706 -47.612 1.00 0.00 H +ATOM 3962 HE22 GLN A 244 23.914 -4.648 -47.391 1.00 0.00 H +ATOM 3963 C GLN A 244 25.454 -1.350 -42.595 1.00 0.00 C +ATOM 3964 O GLN A 244 24.871 -0.517 -41.864 1.00 0.00 O +ATOM 3965 N TRP A 245 26.696 -1.239 -43.038 1.00 0.00 N +ATOM 3966 H TRP A 245 27.199 -1.925 -43.582 1.00 0.00 H +ATOM 3967 CA TRP A 245 27.544 -0.156 -42.488 1.00 0.00 C +ATOM 3968 HA TRP A 245 27.610 -0.267 -41.406 1.00 0.00 H +ATOM 3969 CB TRP A 245 28.928 -0.465 -43.060 1.00 0.00 C +ATOM 3970 HB2 TRP A 245 29.234 -1.395 -42.581 1.00 0.00 H +ATOM 3971 HB3 TRP A 245 28.889 -0.584 -44.143 1.00 0.00 H +ATOM 3972 CG TRP A 245 29.956 0.504 -42.751 1.00 0.00 C +ATOM 3973 CD1 TRP A 245 30.371 1.473 -43.617 1.00 0.00 C +ATOM 3974 HD1 TRP A 245 29.878 1.652 -44.561 1.00 0.00 H +ATOM 3975 NE1 TRP A 245 31.415 2.216 -43.029 1.00 0.00 N +ATOM 3976 HE1 TRP A 245 31.763 3.029 -43.516 1.00 0.00 H +ATOM 3977 CE2 TRP A 245 31.546 1.886 -41.658 1.00 0.00 C +ATOM 3978 CZ2 TRP A 245 32.367 2.337 -40.606 1.00 0.00 C +ATOM 3979 HZ2 TRP A 245 32.982 3.225 -40.609 1.00 0.00 H +ATOM 3980 CH2 TRP A 245 32.258 1.630 -39.399 1.00 0.00 C +ATOM 3981 HH2 TRP A 245 32.930 1.785 -38.568 1.00 0.00 H +ATOM 3982 CZ3 TRP A 245 31.522 0.450 -39.287 1.00 0.00 C +ATOM 3983 HZ3 TRP A 245 31.530 -0.071 -38.341 1.00 0.00 H +ATOM 3984 CE3 TRP A 245 30.851 -0.013 -40.401 1.00 0.00 C +ATOM 3985 HE3 TRP A 245 30.302 -0.944 -40.395 1.00 0.00 H +ATOM 3986 CD2 TRP A 245 30.738 0.675 -41.566 1.00 0.00 C +ATOM 3987 C TRP A 245 27.101 1.276 -42.811 1.00 0.00 C +ATOM 3988 O TRP A 245 27.103 2.196 -42.013 1.00 0.00 O +ATOM 3989 N ASN A 246 26.479 1.517 -44.018 1.00 0.00 N +ATOM 3990 H ASN A 246 26.516 0.815 -44.744 1.00 0.00 H +ATOM 3991 CA ASN A 246 25.989 2.844 -44.364 1.00 0.00 C +ATOM 3992 HA ASN A 246 26.617 3.623 -43.932 1.00 0.00 H +ATOM 3993 CB ASN A 246 26.055 2.946 -45.922 1.00 0.00 C +ATOM 3994 HB2 ASN A 246 25.703 2.053 -46.437 1.00 0.00 H +ATOM 3995 HB3 ASN A 246 25.504 3.878 -46.051 1.00 0.00 H +ATOM 3996 CG ASN A 246 27.499 3.338 -46.282 1.00 0.00 C +ATOM 3997 OD1 ASN A 246 27.901 4.521 -46.263 1.00 0.00 O +ATOM 3998 ND2 ASN A 246 28.198 2.297 -46.611 1.00 0.00 N +ATOM 3999 HD21 ASN A 246 29.160 2.364 -46.909 1.00 0.00 H +ATOM 4000 HD22 ASN A 246 27.699 1.421 -46.548 1.00 0.00 H +ATOM 4001 C ASN A 246 24.434 2.919 -43.952 1.00 0.00 C +ATOM 4002 O ASN A 246 23.650 1.989 -44.280 1.00 0.00 O +ATOM 4003 N PRO A 247 23.985 3.968 -43.186 1.00 0.00 N +ATOM 4004 CD PRO A 247 24.793 5.011 -42.660 1.00 0.00 C +ATOM 4005 HD2 PRO A 247 25.589 5.310 -43.343 1.00 0.00 H +ATOM 4006 HD3 PRO A 247 25.375 4.680 -41.799 1.00 0.00 H +ATOM 4007 CG PRO A 247 23.903 6.180 -42.151 1.00 0.00 C +ATOM 4008 HG2 PRO A 247 23.698 6.847 -42.989 1.00 0.00 H +ATOM 4009 HG3 PRO A 247 24.342 6.771 -41.346 1.00 0.00 H +ATOM 4010 CB PRO A 247 22.593 5.472 -41.895 1.00 0.00 C +ATOM 4011 HB2 PRO A 247 21.779 6.055 -42.326 1.00 0.00 H +ATOM 4012 HB3 PRO A 247 22.356 5.316 -40.843 1.00 0.00 H +ATOM 4013 CA PRO A 247 22.616 4.123 -42.574 1.00 0.00 C +ATOM 4014 HA PRO A 247 22.638 3.263 -41.903 1.00 0.00 H +ATOM 4015 C PRO A 247 21.519 3.870 -43.581 1.00 0.00 C +ATOM 4016 O PRO A 247 20.622 3.033 -43.324 1.00 0.00 O +ATOM 4017 N SER A 248 21.720 4.459 -44.763 1.00 0.00 N +ATOM 4018 H SER A 248 22.514 5.084 -44.777 1.00 0.00 H +ATOM 4019 CA SER A 248 20.749 4.564 -45.807 1.00 0.00 C +ATOM 4020 HA SER A 248 19.869 4.988 -45.322 1.00 0.00 H +ATOM 4021 CB SER A 248 21.174 5.419 -46.957 1.00 0.00 C +ATOM 4022 HB2 SER A 248 21.918 4.927 -47.583 1.00 0.00 H +ATOM 4023 HB3 SER A 248 20.305 5.585 -47.594 1.00 0.00 H +ATOM 4024 OG SER A 248 21.583 6.661 -46.449 1.00 0.00 O +ATOM 4025 HG SER A 248 22.542 6.659 -46.425 1.00 0.00 H +ATOM 4026 C SER A 248 20.351 3.224 -46.517 1.00 0.00 C +ATOM 4027 O SER A 248 19.297 3.119 -47.157 1.00 0.00 O +ATOM 4028 N ASP A 249 21.218 2.169 -46.282 1.00 0.00 N +ATOM 4029 H ASP A 249 22.043 2.365 -45.733 1.00 0.00 H +ATOM 4030 CA ASP A 249 21.129 0.790 -46.807 1.00 0.00 C +ATOM 4031 HA ASP A 249 20.516 0.841 -47.707 1.00 0.00 H +ATOM 4032 CB ASP A 249 22.492 0.200 -47.217 1.00 0.00 C +ATOM 4033 HB2 ASP A 249 23.187 0.229 -46.379 1.00 0.00 H +ATOM 4034 HB3 ASP A 249 22.383 -0.861 -47.441 1.00 0.00 H +ATOM 4035 CG ASP A 249 23.150 1.074 -48.374 1.00 0.00 C +ATOM 4036 OD1 ASP A 249 22.461 1.923 -49.059 1.00 0.00 O +ATOM 4037 OD2 ASP A 249 24.427 1.039 -48.441 1.00 0.00 O +ATOM 4038 C ASP A 249 20.361 -0.148 -45.813 1.00 0.00 C +ATOM 4039 O ASP A 249 19.774 -1.169 -46.187 1.00 0.00 O +ATOM 4040 N ARG A 250 20.279 0.230 -44.537 1.00 0.00 N +ATOM 4041 H ARG A 250 20.712 1.096 -44.247 1.00 0.00 H +ATOM 4042 CA ARG A 250 19.509 -0.584 -43.538 1.00 0.00 C +ATOM 4043 HA ARG A 250 19.734 -1.648 -43.616 1.00 0.00 H +ATOM 4044 CB ARG A 250 19.899 -0.080 -42.118 1.00 0.00 C +ATOM 4045 HB2 ARG A 250 19.534 0.946 -42.064 1.00 0.00 H +ATOM 4046 HB3 ARG A 250 19.264 -0.507 -41.341 1.00 0.00 H +ATOM 4047 CG ARG A 250 21.442 -0.088 -41.854 1.00 0.00 C +ATOM 4048 HG2 ARG A 250 21.809 -1.107 -41.730 1.00 0.00 H +ATOM 4049 HG3 ARG A 250 21.996 0.373 -42.672 1.00 0.00 H +ATOM 4050 CD ARG A 250 21.800 0.655 -40.613 1.00 0.00 C +ATOM 4051 HD2 ARG A 250 21.254 1.597 -40.654 1.00 0.00 H +ATOM 4052 HD3 ARG A 250 21.535 0.054 -39.743 1.00 0.00 H +ATOM 4053 NE ARG A 250 23.250 0.997 -40.493 1.00 0.00 N +ATOM 4054 HE ARG A 250 23.788 0.603 -41.251 1.00 0.00 H +ATOM 4055 CZ ARG A 250 23.830 1.892 -39.779 1.00 0.00 C +ATOM 4056 NH1 ARG A 250 23.101 2.585 -38.980 1.00 0.00 N +ATOM 4057 HH11 ARG A 250 22.112 2.382 -38.943 1.00 0.00 H +ATOM 4058 HH12 ARG A 250 23.522 3.382 -38.523 1.00 0.00 H +ATOM 4059 NH2 ARG A 250 25.048 2.076 -39.870 1.00 0.00 N +ATOM 4060 HH21 ARG A 250 25.571 1.727 -40.660 1.00 0.00 H +ATOM 4061 HH22 ARG A 250 25.360 2.922 -39.415 1.00 0.00 H +ATOM 4062 C ARG A 250 18.006 -0.381 -43.857 1.00 0.00 C +ATOM 4063 O ARG A 250 17.492 0.748 -44.186 1.00 0.00 O +ATOM 4064 N PRO A 251 17.180 -1.463 -43.730 1.00 0.00 N +ATOM 4065 CD PRO A 251 17.502 -2.629 -42.904 1.00 0.00 C +ATOM 4066 HD2 PRO A 251 17.755 -2.323 -41.888 1.00 0.00 H +ATOM 4067 HD3 PRO A 251 18.306 -3.219 -43.345 1.00 0.00 H +ATOM 4068 CG PRO A 251 16.252 -3.444 -42.898 1.00 0.00 C +ATOM 4069 HG2 PRO A 251 15.748 -3.324 -41.940 1.00 0.00 H +ATOM 4070 HG3 PRO A 251 16.462 -4.493 -43.102 1.00 0.00 H +ATOM 4071 CB PRO A 251 15.207 -2.852 -43.874 1.00 0.00 C +ATOM 4072 HB2 PRO A 251 14.194 -2.965 -43.489 1.00 0.00 H +ATOM 4073 HB3 PRO A 251 15.208 -3.406 -44.813 1.00 0.00 H +ATOM 4074 CA PRO A 251 15.740 -1.450 -44.015 1.00 0.00 C +ATOM 4075 HA PRO A 251 15.587 -1.126 -45.045 1.00 0.00 H +ATOM 4076 C PRO A 251 14.874 -0.453 -43.114 1.00 0.00 C +ATOM 4077 O PRO A 251 15.077 -0.444 -41.857 1.00 0.00 O +ATOM 4078 N SER A 252 13.773 0.185 -43.611 1.00 0.00 N +ATOM 4079 H SER A 252 13.561 0.176 -44.599 1.00 0.00 H +ATOM 4080 CA SER A 252 12.634 0.763 -42.750 1.00 0.00 C +ATOM 4081 HA SER A 252 12.921 1.671 -42.219 1.00 0.00 H +ATOM 4082 CB SER A 252 11.537 1.211 -43.792 1.00 0.00 C +ATOM 4083 HB2 SER A 252 11.842 2.003 -44.476 1.00 0.00 H +ATOM 4084 HB3 SER A 252 11.153 0.448 -44.469 1.00 0.00 H +ATOM 4085 OG SER A 252 10.359 1.626 -43.188 1.00 0.00 O +ATOM 4086 HG SER A 252 10.633 2.271 -42.531 1.00 0.00 H +ATOM 4087 C SER A 252 12.042 -0.173 -41.653 1.00 0.00 C +ATOM 4088 O SER A 252 11.767 -1.356 -42.013 1.00 0.00 O +ATOM 4089 N PHE A 253 11.688 0.393 -40.489 1.00 0.00 N +ATOM 4090 H PHE A 253 11.552 1.393 -40.543 1.00 0.00 H +ATOM 4091 CA PHE A 253 10.773 -0.341 -39.537 1.00 0.00 C +ATOM 4092 HA PHE A 253 11.306 -1.245 -39.242 1.00 0.00 H +ATOM 4093 CB PHE A 253 10.506 0.547 -38.358 1.00 0.00 C +ATOM 4094 HB2 PHE A 253 10.376 1.522 -38.828 1.00 0.00 H +ATOM 4095 HB3 PHE A 253 9.680 0.095 -37.809 1.00 0.00 H +ATOM 4096 CG PHE A 253 11.719 0.562 -37.390 1.00 0.00 C +ATOM 4097 CD1 PHE A 253 12.033 -0.565 -36.694 1.00 0.00 C +ATOM 4098 HD1 PHE A 253 11.584 -1.513 -36.952 1.00 0.00 H +ATOM 4099 CE1 PHE A 253 13.171 -0.534 -35.810 1.00 0.00 C +ATOM 4100 HE1 PHE A 253 13.448 -1.438 -35.288 1.00 0.00 H +ATOM 4101 CZ PHE A 253 13.825 0.672 -35.536 1.00 0.00 C +ATOM 4102 HZ PHE A 253 14.693 0.709 -34.895 1.00 0.00 H +ATOM 4103 CE2 PHE A 253 13.437 1.851 -36.172 1.00 0.00 C +ATOM 4104 HE2 PHE A 253 13.928 2.773 -35.897 1.00 0.00 H +ATOM 4105 CD2 PHE A 253 12.426 1.773 -37.165 1.00 0.00 C +ATOM 4106 HD2 PHE A 253 12.211 2.640 -37.772 1.00 0.00 H +ATOM 4107 C PHE A 253 9.409 -0.908 -40.068 1.00 0.00 C +ATOM 4108 O PHE A 253 8.986 -2.055 -39.742 1.00 0.00 O +ATOM 4109 N ALA A 254 8.783 -0.139 -40.969 1.00 0.00 N +ATOM 4110 H ALA A 254 9.203 0.762 -41.148 1.00 0.00 H +ATOM 4111 CA ALA A 254 7.619 -0.639 -41.705 1.00 0.00 C +ATOM 4112 HA ALA A 254 6.928 -0.853 -40.890 1.00 0.00 H +ATOM 4113 CB ALA A 254 7.064 0.571 -42.437 1.00 0.00 C +ATOM 4114 HB1 ALA A 254 7.753 0.890 -43.218 1.00 0.00 H +ATOM 4115 HB2 ALA A 254 6.235 0.250 -43.067 1.00 0.00 H +ATOM 4116 HB3 ALA A 254 6.799 1.370 -41.744 1.00 0.00 H +ATOM 4117 C ALA A 254 7.940 -1.822 -42.671 1.00 0.00 C +ATOM 4118 O ALA A 254 7.135 -2.724 -42.771 1.00 0.00 O +ATOM 4119 N GLU A 255 9.118 -1.893 -43.282 1.00 0.00 N +ATOM 4120 H GLU A 255 9.758 -1.175 -42.972 1.00 0.00 H +ATOM 4121 CA GLU A 255 9.646 -3.075 -43.997 1.00 0.00 C +ATOM 4122 HA GLU A 255 8.828 -3.337 -44.669 1.00 0.00 H +ATOM 4123 CB GLU A 255 10.789 -2.628 -44.912 1.00 0.00 C +ATOM 4124 HB2 GLU A 255 11.330 -1.845 -44.380 1.00 0.00 H +ATOM 4125 HB3 GLU A 255 11.360 -3.533 -45.116 1.00 0.00 H +ATOM 4126 CG GLU A 255 10.203 -2.088 -46.237 1.00 0.00 C +ATOM 4127 HG2 GLU A 255 9.653 -2.840 -46.803 1.00 0.00 H +ATOM 4128 HG3 GLU A 255 9.396 -1.396 -45.997 1.00 0.00 H +ATOM 4129 CD GLU A 255 11.201 -1.646 -47.249 1.00 0.00 C +ATOM 4130 OE1 GLU A 255 10.866 -0.935 -48.250 1.00 0.00 O +ATOM 4131 OE2 GLU A 255 12.422 -1.900 -47.104 1.00 0.00 O +ATOM 4132 C GLU A 255 10.008 -4.297 -43.116 1.00 0.00 C +ATOM 4133 O GLU A 255 9.558 -5.388 -43.375 1.00 0.00 O +ATOM 4134 N ILE A 256 10.680 -3.979 -42.018 1.00 0.00 N +ATOM 4135 H ILE A 256 10.916 -3.012 -41.845 1.00 0.00 H +ATOM 4136 CA ILE A 256 10.948 -4.891 -40.887 1.00 0.00 C +ATOM 4137 HA ILE A 256 11.482 -5.714 -41.363 1.00 0.00 H +ATOM 4138 CB ILE A 256 11.843 -4.360 -39.754 1.00 0.00 C +ATOM 4139 HB ILE A 256 11.304 -3.572 -39.228 1.00 0.00 H +ATOM 4140 CG2 ILE A 256 12.063 -5.432 -38.650 1.00 0.00 C +ATOM 4141 HG21 ILE A 256 11.152 -5.617 -38.079 1.00 0.00 H +ATOM 4142 HG22 ILE A 256 12.533 -6.334 -39.038 1.00 0.00 H +ATOM 4143 HG23 ILE A 256 12.675 -5.031 -37.842 1.00 0.00 H +ATOM 4144 CG1 ILE A 256 13.203 -3.810 -40.310 1.00 0.00 C +ATOM 4145 HG12 ILE A 256 13.814 -4.638 -40.669 1.00 0.00 H +ATOM 4146 HG13 ILE A 256 13.016 -3.170 -41.173 1.00 0.00 H +ATOM 4147 CD1 ILE A 256 13.959 -3.091 -39.256 1.00 0.00 C +ATOM 4148 HD11 ILE A 256 14.715 -2.468 -39.734 1.00 0.00 H +ATOM 4149 HD12 ILE A 256 13.323 -2.338 -38.793 1.00 0.00 H +ATOM 4150 HD13 ILE A 256 14.421 -3.796 -38.564 1.00 0.00 H +ATOM 4151 C ILE A 256 9.605 -5.549 -40.356 1.00 0.00 C +ATOM 4152 O ILE A 256 9.473 -6.746 -40.335 1.00 0.00 O +ATOM 4153 N HIS A 257 8.582 -4.740 -40.022 1.00 0.00 N +ATOM 4154 H HIS A 257 8.712 -3.764 -40.248 1.00 0.00 H +ATOM 4155 CA HIS A 257 7.291 -5.150 -39.377 1.00 0.00 C +ATOM 4156 HA HIS A 257 7.525 -5.758 -38.503 1.00 0.00 H +ATOM 4157 CB HIS A 257 6.507 -3.879 -39.010 1.00 0.00 C +ATOM 4158 HB2 HIS A 257 7.120 -3.199 -38.419 1.00 0.00 H +ATOM 4159 HB3 HIS A 257 6.323 -3.217 -39.856 1.00 0.00 H +ATOM 4160 CG HIS A 257 5.226 -4.202 -38.293 1.00 0.00 C +ATOM 4161 ND1 HIS A 257 5.180 -4.862 -37.046 1.00 0.00 N +ATOM 4162 CE1 HIS A 257 4.040 -5.540 -37.009 1.00 0.00 C +ATOM 4163 HE1 HIS A 257 3.781 -6.118 -36.135 1.00 0.00 H +ATOM 4164 NE2 HIS A 257 3.369 -5.267 -38.134 1.00 0.00 N +ATOM 4165 HE2 HIS A 257 2.557 -5.841 -38.313 1.00 0.00 H +ATOM 4166 CD2 HIS A 257 4.086 -4.513 -38.976 1.00 0.00 C +ATOM 4167 HD2 HIS A 257 3.863 -4.490 -40.033 1.00 0.00 H +ATOM 4168 C HIS A 257 6.537 -6.097 -40.329 1.00 0.00 C +ATOM 4169 O HIS A 257 6.042 -7.082 -39.861 1.00 0.00 O +ATOM 4170 N GLN A 258 6.477 -5.704 -41.580 1.00 0.00 N +ATOM 4171 H GLN A 258 6.959 -4.851 -41.828 1.00 0.00 H +ATOM 4172 CA GLN A 258 6.066 -6.669 -42.606 1.00 0.00 C +ATOM 4173 HA GLN A 258 5.018 -6.905 -42.420 1.00 0.00 H +ATOM 4174 CB GLN A 258 6.192 -5.903 -43.969 1.00 0.00 C +ATOM 4175 HB2 GLN A 258 5.563 -5.013 -43.925 1.00 0.00 H +ATOM 4176 HB3 GLN A 258 7.215 -5.534 -44.039 1.00 0.00 H +ATOM 4177 CG GLN A 258 5.906 -6.676 -45.284 1.00 0.00 C +ATOM 4178 HG2 GLN A 258 6.608 -7.505 -45.374 1.00 0.00 H +ATOM 4179 HG3 GLN A 258 4.857 -6.962 -45.349 1.00 0.00 H +ATOM 4180 CD GLN A 258 6.142 -5.750 -46.438 1.00 0.00 C +ATOM 4181 OE1 GLN A 258 5.371 -4.858 -46.750 1.00 0.00 O +ATOM 4182 NE2 GLN A 258 7.145 -5.906 -47.257 1.00 0.00 N +ATOM 4183 HE21 GLN A 258 7.370 -5.282 -48.019 1.00 0.00 H +ATOM 4184 HE22 GLN A 258 7.920 -6.515 -47.038 1.00 0.00 H +ATOM 4185 C GLN A 258 6.844 -8.012 -42.660 1.00 0.00 C +ATOM 4186 O GLN A 258 6.293 -9.071 -42.947 1.00 0.00 O +ATOM 4187 N ALA A 259 8.130 -8.023 -42.530 1.00 0.00 N +ATOM 4188 H ALA A 259 8.693 -7.186 -42.480 1.00 0.00 H +ATOM 4189 CA ALA A 259 8.958 -9.189 -42.646 1.00 0.00 C +ATOM 4190 HA ALA A 259 8.721 -9.825 -43.499 1.00 0.00 H +ATOM 4191 CB ALA A 259 10.456 -8.828 -42.871 1.00 0.00 C +ATOM 4192 HB1 ALA A 259 10.845 -8.241 -42.039 1.00 0.00 H +ATOM 4193 HB2 ALA A 259 11.090 -9.714 -42.913 1.00 0.00 H +ATOM 4194 HB3 ALA A 259 10.417 -8.361 -43.856 1.00 0.00 H +ATOM 4195 C ALA A 259 8.818 -10.139 -41.429 1.00 0.00 C +ATOM 4196 O ALA A 259 8.616 -11.341 -41.623 1.00 0.00 O +ATOM 4197 N PHE A 260 8.822 -9.692 -40.142 1.00 0.00 N +ATOM 4198 H PHE A 260 8.975 -8.706 -39.984 1.00 0.00 H +ATOM 4199 CA PHE A 260 8.433 -10.531 -39.000 1.00 0.00 C +ATOM 4200 HA PHE A 260 8.986 -11.469 -38.948 1.00 0.00 H +ATOM 4201 CB PHE A 260 8.667 -9.659 -37.742 1.00 0.00 C +ATOM 4202 HB2 PHE A 260 8.486 -8.605 -37.953 1.00 0.00 H +ATOM 4203 HB3 PHE A 260 8.100 -10.039 -36.892 1.00 0.00 H +ATOM 4204 CG PHE A 260 10.073 -9.736 -37.341 1.00 0.00 C +ATOM 4205 CD1 PHE A 260 10.672 -10.962 -37.050 1.00 0.00 C +ATOM 4206 HD1 PHE A 260 9.924 -11.730 -36.921 1.00 0.00 H +ATOM 4207 CE1 PHE A 260 12.016 -11.045 -36.797 1.00 0.00 C +ATOM 4208 HE1 PHE A 260 12.459 -11.994 -36.535 1.00 0.00 H +ATOM 4209 CZ PHE A 260 12.792 -9.893 -36.875 1.00 0.00 C +ATOM 4210 HZ PHE A 260 13.865 -9.863 -36.757 1.00 0.00 H +ATOM 4211 CE2 PHE A 260 12.165 -8.718 -37.157 1.00 0.00 C +ATOM 4212 HE2 PHE A 260 12.872 -7.905 -37.237 1.00 0.00 H +ATOM 4213 CD2 PHE A 260 10.804 -8.623 -37.380 1.00 0.00 C +ATOM 4214 HD2 PHE A 260 10.311 -7.704 -37.660 1.00 0.00 H +ATOM 4215 C PHE A 260 6.977 -10.905 -39.074 1.00 0.00 C +ATOM 4216 O PHE A 260 6.745 -12.101 -38.869 1.00 0.00 O +ATOM 4217 N GLU A 261 5.971 -10.048 -39.384 1.00 0.00 N +ATOM 4218 H GLU A 261 6.179 -9.079 -39.582 1.00 0.00 H +ATOM 4219 CA GLU A 261 4.556 -10.367 -39.589 1.00 0.00 C +ATOM 4220 HA GLU A 261 4.258 -10.812 -38.640 1.00 0.00 H +ATOM 4221 CB GLU A 261 3.735 -9.035 -39.700 1.00 0.00 C +ATOM 4222 HB2 GLU A 261 3.986 -8.389 -38.859 1.00 0.00 H +ATOM 4223 HB3 GLU A 261 3.943 -8.587 -40.671 1.00 0.00 H +ATOM 4224 CG GLU A 261 2.178 -9.235 -39.683 1.00 0.00 C +ATOM 4225 HG2 GLU A 261 1.939 -9.877 -40.531 1.00 0.00 H +ATOM 4226 HG3 GLU A 261 1.891 -9.779 -38.782 1.00 0.00 H +ATOM 4227 CD GLU A 261 1.510 -7.859 -39.848 1.00 0.00 C +ATOM 4228 OE1 GLU A 261 1.576 -7.230 -40.910 1.00 0.00 O +ATOM 4229 OE2 GLU A 261 0.882 -7.344 -38.854 1.00 0.00 O +ATOM 4230 C GLU A 261 4.469 -11.378 -40.715 1.00 0.00 C +ATOM 4231 O GLU A 261 3.816 -12.371 -40.486 1.00 0.00 O +ATOM 4232 N THR A 262 5.239 -11.361 -41.811 1.00 0.00 N +ATOM 4233 H THR A 262 5.862 -10.570 -41.889 1.00 0.00 H +ATOM 4234 CA THR A 262 5.329 -12.416 -42.916 1.00 0.00 C +ATOM 4235 HA THR A 262 4.383 -12.556 -43.439 1.00 0.00 H +ATOM 4236 CB THR A 262 6.373 -11.977 -43.968 1.00 0.00 C +ATOM 4237 HB THR A 262 7.293 -11.556 -43.563 1.00 0.00 H +ATOM 4238 CG2 THR A 262 6.921 -13.088 -44.900 1.00 0.00 C +ATOM 4239 HG21 THR A 262 6.117 -13.788 -45.124 1.00 0.00 H +ATOM 4240 HG22 THR A 262 7.322 -12.653 -45.816 1.00 0.00 H +ATOM 4241 HG23 THR A 262 7.701 -13.574 -44.313 1.00 0.00 H +ATOM 4242 OG1 THR A 262 5.645 -10.981 -44.707 1.00 0.00 O +ATOM 4243 HG1 THR A 262 5.816 -10.211 -44.160 1.00 0.00 H +ATOM 4244 C THR A 262 5.845 -13.674 -42.350 1.00 0.00 C +ATOM 4245 O THR A 262 5.322 -14.758 -42.719 1.00 0.00 O +ATOM 4246 N MET A 263 6.850 -13.621 -41.430 1.00 0.00 N +ATOM 4247 H MET A 263 7.321 -12.738 -41.297 1.00 0.00 H +ATOM 4248 CA MET A 263 7.438 -14.827 -40.861 1.00 0.00 C +ATOM 4249 HA MET A 263 7.594 -15.517 -41.691 1.00 0.00 H +ATOM 4250 CB MET A 263 8.836 -14.398 -40.427 1.00 0.00 C +ATOM 4251 HB2 MET A 263 8.927 -13.434 -39.926 1.00 0.00 H +ATOM 4252 HB3 MET A 263 9.198 -15.203 -39.787 1.00 0.00 H +ATOM 4253 CG MET A 263 9.846 -14.333 -41.642 1.00 0.00 C +ATOM 4254 HG2 MET A 263 9.881 -15.292 -42.159 1.00 0.00 H +ATOM 4255 HG3 MET A 263 9.499 -13.655 -42.422 1.00 0.00 H +ATOM 4256 SD MET A 263 11.541 -13.957 -41.074 1.00 0.00 S +ATOM 4257 CE MET A 263 11.760 -12.272 -41.313 1.00 0.00 C +ATOM 4258 HE1 MET A 263 11.537 -12.036 -42.353 1.00 0.00 H +ATOM 4259 HE2 MET A 263 11.113 -11.651 -40.693 1.00 0.00 H +ATOM 4260 HE3 MET A 263 12.791 -11.938 -41.202 1.00 0.00 H +ATOM 4261 C MET A 263 6.615 -15.531 -39.830 1.00 0.00 C +ATOM 4262 O MET A 263 6.338 -16.699 -40.068 1.00 0.00 O +ATOM 4263 N PHE A 264 6.248 -14.807 -38.719 1.00 0.00 N +ATOM 4264 H PHE A 264 6.428 -13.815 -38.778 1.00 0.00 H +ATOM 4265 CA PHE A 264 5.370 -15.269 -37.710 1.00 0.00 C +ATOM 4266 HA PHE A 264 5.974 -15.982 -37.148 1.00 0.00 H +ATOM 4267 CB PHE A 264 4.835 -14.084 -36.820 1.00 0.00 C +ATOM 4268 HB2 PHE A 264 5.762 -13.601 -36.512 1.00 0.00 H +ATOM 4269 HB3 PHE A 264 4.274 -13.467 -37.523 1.00 0.00 H +ATOM 4270 CG PHE A 264 3.840 -14.411 -35.717 1.00 0.00 C +ATOM 4271 CD1 PHE A 264 3.948 -15.623 -34.996 1.00 0.00 C +ATOM 4272 HD1 PHE A 264 4.749 -16.340 -35.094 1.00 0.00 H +ATOM 4273 CE1 PHE A 264 3.032 -15.811 -33.948 1.00 0.00 C +ATOM 4274 HE1 PHE A 264 3.040 -16.657 -33.277 1.00 0.00 H +ATOM 4275 CZ PHE A 264 2.063 -14.894 -33.670 1.00 0.00 C +ATOM 4276 HZ PHE A 264 1.481 -14.975 -32.765 1.00 0.00 H +ATOM 4277 CE2 PHE A 264 1.908 -13.691 -34.430 1.00 0.00 C +ATOM 4278 HE2 PHE A 264 1.060 -13.074 -34.172 1.00 0.00 H +ATOM 4279 CD2 PHE A 264 2.875 -13.430 -35.447 1.00 0.00 C +ATOM 4280 HD2 PHE A 264 2.802 -12.541 -36.055 1.00 0.00 H +ATOM 4281 C PHE A 264 4.134 -15.995 -38.271 1.00 0.00 C +ATOM 4282 O PHE A 264 3.786 -17.060 -37.706 1.00 0.00 O +ATOM 4283 N GLN A 265 3.401 -15.587 -39.265 1.00 0.00 N +ATOM 4284 H GLN A 265 3.587 -14.681 -39.671 1.00 0.00 H +ATOM 4285 CA GLN A 265 2.066 -16.051 -39.691 1.00 0.00 C +ATOM 4286 HA GLN A 265 1.721 -16.694 -38.881 1.00 0.00 H +ATOM 4287 CB GLN A 265 1.174 -14.821 -39.946 1.00 0.00 C +ATOM 4288 HB2 GLN A 265 1.541 -14.370 -40.868 1.00 0.00 H +ATOM 4289 HB3 GLN A 265 0.161 -15.118 -40.218 1.00 0.00 H +ATOM 4290 CG GLN A 265 1.251 -13.844 -38.815 1.00 0.00 C +ATOM 4291 HG2 GLN A 265 1.307 -14.292 -37.823 1.00 0.00 H +ATOM 4292 HG3 GLN A 265 2.109 -13.224 -39.076 1.00 0.00 H +ATOM 4293 CD GLN A 265 0.051 -12.922 -38.743 1.00 0.00 C +ATOM 4294 OE1 GLN A 265 -0.761 -12.947 -37.851 1.00 0.00 O +ATOM 4295 NE2 GLN A 265 -0.193 -12.121 -39.715 1.00 0.00 N +ATOM 4296 HE21 GLN A 265 -1.071 -11.632 -39.810 1.00 0.00 H +ATOM 4297 HE22 GLN A 265 0.515 -12.032 -40.429 1.00 0.00 H +ATOM 4298 C GLN A 265 2.193 -16.942 -41.012 1.00 0.00 C +ATOM 4299 O GLN A 265 1.316 -16.902 -41.870 1.00 0.00 O +ATOM 4300 N GLU A 266 3.324 -17.631 -41.164 1.00 0.00 N +ATOM 4301 H GLU A 266 4.009 -17.542 -40.427 1.00 0.00 H +ATOM 4302 CA GLU A 266 3.493 -18.587 -42.314 1.00 0.00 C +ATOM 4303 HA GLU A 266 3.243 -18.084 -43.248 1.00 0.00 H +ATOM 4304 CB GLU A 266 4.936 -19.076 -42.275 1.00 0.00 C +ATOM 4305 HB2 GLU A 266 5.575 -18.193 -42.270 1.00 0.00 H +ATOM 4306 HB3 GLU A 266 5.152 -19.541 -41.313 1.00 0.00 H +ATOM 4307 CG GLU A 266 5.431 -20.010 -43.379 1.00 0.00 C +ATOM 4308 HG2 GLU A 266 4.969 -20.960 -43.109 1.00 0.00 H +ATOM 4309 HG3 GLU A 266 4.906 -19.742 -44.296 1.00 0.00 H +ATOM 4310 CD GLU A 266 6.881 -20.113 -43.467 1.00 0.00 C +ATOM 4311 OE1 GLU A 266 7.567 -20.412 -42.445 1.00 0.00 O +ATOM 4312 OE2 GLU A 266 7.468 -19.935 -44.562 1.00 0.00 O +ATOM 4313 C GLU A 266 2.536 -19.725 -42.364 1.00 0.00 C +ATOM 4314 O GLU A 266 2.303 -20.472 -41.410 1.00 0.00 O +ATOM 4315 OXT GLU A 266 2.016 -19.936 -43.484 1.00 0.00 O +ATOM 4316 C1 LIG A 267 6.665 5.505 -16.495 1.00 0.00 C +ATOM 4317 C2 LIG A 267 6.579 6.870 -16.901 1.00 0.00 C +ATOM 4318 C3 LIG A 267 6.984 7.273 -18.194 1.00 0.00 C +ATOM 4319 C4 LIG A 267 7.294 6.272 -19.199 1.00 0.00 C +ATOM 4320 N1 LIG A 267 7.816 6.658 -20.478 1.00 0.00 N +ATOM 4321 C5 LIG A 267 8.118 5.935 -21.709 1.00 0.00 C +ATOM 4322 O1 LIG A 267 7.903 4.749 -21.836 1.00 0.00 O +ATOM 4323 C6 LIG A 267 8.698 6.807 -22.837 1.00 0.00 C +ATOM 4324 C7 LIG A 267 8.690 6.242 -24.145 1.00 0.00 C +ATOM 4325 C8 LIG A 267 9.229 7.029 -25.225 1.00 0.00 C +ATOM 4326 C9 LIG A 267 9.662 8.394 -25.048 1.00 0.00 C +ATOM 4327 C10 LIG A 267 10.365 9.153 -26.172 1.00 0.00 C +ATOM 4328 N2 LIG A 267 11.854 9.166 -26.000 1.00 0.00 N +ATOM 4329 C11 LIG A 267 12.563 9.462 -27.333 1.00 0.00 C +ATOM 4330 C12 LIG A 267 14.123 9.236 -27.209 1.00 0.00 C +ATOM 4331 N3 LIG A 267 14.514 9.367 -25.712 1.00 0.00 N +ATOM 4332 C13 LIG A 267 15.994 9.382 -25.449 1.00 0.00 C +ATOM 4333 C14 LIG A 267 13.760 10.414 -24.904 1.00 0.00 C +ATOM 4334 C15 LIG A 267 12.173 10.196 -24.915 1.00 0.00 C +ATOM 4335 C16 LIG A 267 9.458 8.977 -23.770 1.00 0.00 C +ATOM 4336 C17 LIG A 267 8.965 8.235 -22.680 1.00 0.00 C +ATOM 4337 C18 LIG A 267 7.210 4.943 -18.836 1.00 0.00 C +ATOM 4338 C19 LIG A 267 6.947 4.524 -17.538 1.00 0.00 C +ATOM 4339 N4 LIG A 267 6.849 3.130 -17.264 1.00 0.00 N +ATOM 4340 C20 LIG A 267 7.607 2.337 -16.521 1.00 0.00 C +ATOM 4341 N5 LIG A 267 8.760 2.726 -16.040 1.00 0.00 N +ATOM 4342 C21 LIG A 267 9.485 1.768 -15.500 1.00 0.00 C +ATOM 4343 C22 LIG A 267 9.004 0.496 -15.322 1.00 0.00 C +ATOM 4344 C23 LIG A 267 7.745 0.186 -15.827 1.00 0.00 C +ATOM 4345 C24 LIG A 267 6.920 -1.047 -15.572 1.00 0.00 C +ATOM 4346 C25 LIG A 267 7.389 -2.107 -14.779 1.00 0.00 C +ATOM 4347 C26 LIG A 267 6.519 -3.202 -14.542 1.00 0.00 C +ATOM 4348 N6 LIG A 267 5.399 -3.388 -15.131 1.00 0.00 N +ATOM 4349 C27 LIG A 267 5.059 -2.525 -16.047 1.00 0.00 C +ATOM 4350 C28 LIG A 267 5.720 -1.313 -16.271 1.00 0.00 C +ATOM 4351 N7 LIG A 267 7.043 1.137 -16.507 1.00 0.00 N +ATOM 4352 H1 LIG A 267 6.521 5.129 -15.486 1.00 0.00 H +ATOM 4353 H2 LIG A 267 6.271 7.662 -16.225 1.00 0.00 H +ATOM 4354 H3 LIG A 267 7.044 8.320 -18.477 1.00 0.00 H +ATOM 4355 H4 LIG A 267 8.171 7.607 -20.474 1.00 0.00 H +ATOM 4356 H5 LIG A 267 8.380 5.218 -24.329 1.00 0.00 H +ATOM 4357 H6 LIG A 267 9.211 6.575 -26.211 1.00 0.00 H +ATOM 4358 H7 LIG A 267 10.062 8.638 -27.085 1.00 0.00 H +ATOM 4359 H8 LIG A 267 9.987 10.175 -26.132 1.00 0.00 H +ATOM 4360 H9 LIG A 267 12.111 8.217 -25.683 1.00 0.00 H +ATOM 4361 H10 LIG A 267 12.179 8.897 -28.187 1.00 0.00 H +ATOM 4362 H11 LIG A 267 12.433 10.531 -27.517 1.00 0.00 H +ATOM 4363 H12 LIG A 267 14.613 10.020 -27.793 1.00 0.00 H +ATOM 4364 H13 LIG A 267 14.377 8.240 -27.579 1.00 0.00 H +ATOM 4365 H14 LIG A 267 14.171 8.499 -25.267 1.00 0.00 H +ATOM 4366 H15 LIG A 267 16.461 8.433 -25.716 1.00 0.00 H +ATOM 4367 H16 LIG A 267 16.466 10.185 -26.018 1.00 0.00 H +ATOM 4368 H17 LIG A 267 16.092 9.584 -24.381 1.00 0.00 H +ATOM 4369 H18 LIG A 267 13.978 11.375 -25.378 1.00 0.00 H +ATOM 4370 H19 LIG A 267 14.265 10.505 -23.939 1.00 0.00 H +ATOM 4371 H20 LIG A 267 11.755 9.774 -23.997 1.00 0.00 H +ATOM 4372 H21 LIG A 267 11.675 11.149 -25.112 1.00 0.00 H +ATOM 4373 H22 LIG A 267 9.629 10.030 -23.568 1.00 0.00 H +ATOM 4374 H23 LIG A 267 8.834 8.771 -21.745 1.00 0.00 H +ATOM 4375 H24 LIG A 267 7.540 4.096 -19.430 1.00 0.00 H +ATOM 4376 H25 LIG A 267 5.897 2.788 -17.337 1.00 0.00 H +ATOM 4377 H26 LIG A 267 10.443 2.143 -15.144 1.00 0.00 H +ATOM 4378 H27 LIG A 267 9.568 -0.303 -14.850 1.00 0.00 H +ATOM 4379 H28 LIG A 267 8.360 -2.078 -14.295 1.00 0.00 H +ATOM 4380 H29 LIG A 267 6.842 -4.046 -13.935 1.00 0.00 H +ATOM 4381 H30 LIG A 267 4.077 -2.744 -16.462 1.00 0.00 H +ATOM 4382 H31 LIG A 267 5.247 -0.595 -16.934 1.00 0.00 H +TER 4383 LIG A 267 +CONECT 4316 4352 4317 4338 +CONECT 4317 4353 4316 4318 +CONECT 4318 4354 4317 4319 +CONECT 4319 4318 4320 4337 +CONECT 4320 4355 4319 4321 +CONECT 4321 4320 4322 4323 +CONECT 4322 4321 +CONECT 4323 4321 4324 4336 +CONECT 4324 4356 4323 4325 +CONECT 4325 4357 4324 4326 +CONECT 4326 4325 4327 4335 +CONECT 4327 4358 4359 4326 4328 +CONECT 4328 4360 4327 4329 4334 +CONECT 4329 4361 4362 4328 4330 +CONECT 4330 4363 4364 4329 4331 +CONECT 4331 4365 4330 4332 4333 +CONECT 4332 4366 4367 4368 4331 +CONECT 4333 4369 4370 4331 4334 +CONECT 4334 4371 4372 4328 4333 +CONECT 4335 4373 4326 4336 +CONECT 4336 4374 4323 4335 +CONECT 4337 4375 4319 4338 +CONECT 4338 4316 4337 4339 +CONECT 4339 4376 4338 4340 +CONECT 4340 4339 4341 4351 +CONECT 4341 4340 4342 +CONECT 4342 4377 4341 4343 +CONECT 4343 4378 4342 4344 +CONECT 4344 4343 4345 4351 +CONECT 4345 4344 4346 4350 +CONECT 4346 4379 4345 4347 +CONECT 4347 4380 4346 4348 +CONECT 4348 4347 4349 +CONECT 4349 4381 4348 4350 +CONECT 4350 4382 4345 4349 +CONECT 4351 4340 4344 +CONECT 4352 4316 +CONECT 4353 4317 +CONECT 4354 4318 +CONECT 4355 4320 +CONECT 4356 4324 +CONECT 4357 4325 +CONECT 4358 4327 +CONECT 4359 4327 +CONECT 4360 4328 +CONECT 4361 4329 +CONECT 4362 4329 +CONECT 4363 4330 +CONECT 4364 4330 +CONECT 4365 4331 +CONECT 4366 4332 +CONECT 4367 4332 +CONECT 4368 4332 +CONECT 4369 4333 +CONECT 4370 4333 +CONECT 4371 4334 +CONECT 4372 4334 +CONECT 4373 4335 +CONECT 4374 4336 +CONECT 4375 4337 +CONECT 4376 4339 +CONECT 4377 4342 +CONECT 4378 4343 +CONECT 4379 4346 +CONECT 4380 4347 +CONECT 4381 4349 +CONECT 4382 4350 +END diff --git a/data/abl_ligand_prod_dry.nc b/data/abl_ligand_prod_dry.nc new file mode 100644 index 0000000..5dd53c4 Binary files /dev/null and b/data/abl_ligand_prod_dry.nc differ diff --git a/2_EQUILIBRATION/chignolin.pdb b/data/chignolin.pdb similarity index 100% rename from 2_EQUILIBRATION/chignolin.pdb rename to data/chignolin.pdb diff --git a/2_EQUILIBRATION/chignolin.xtc b/data/chignolin.xtc similarity index 90% rename from 2_EQUILIBRATION/chignolin.xtc rename to data/chignolin.xtc index d7dfb1e..3ee7ca5 100644 Binary files a/2_EQUILIBRATION/chignolin.xtc and b/data/chignolin.xtc differ diff --git a/data/end_to_end.npy b/data/end_to_end.npy new file mode 100644 index 0000000..256dc2f Binary files /dev/null and b/data/end_to_end.npy differ diff --git a/2_EQUILIBRATION/equilT.png b/data/equilT.png similarity index 100% rename from 2_EQUILIBRATION/equilT.png rename to data/equilT.png diff --git a/data/imatinib_analogue_labelled.png b/data/imatinib_analogue_labelled.png new file mode 100644 index 0000000..3d3b786 Binary files /dev/null and b/data/imatinib_analogue_labelled.png differ diff --git a/docker/Dockerfile b/docker/Dockerfile index d64e8a3..93a870c 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -10,9 +10,14 @@ WORKDIR $HOME # Install workshop deps RUN conda install -y -c conda-forge \ - conda-forge::matplotlib=3.11.2 + conda-forge::matplotlib=3.11.1 \ + conda-forge::nglview=4.0.1 RUN pip install --no-cache-dir \ - mdtraj==1.11.1.post2 + mdtraj==1.11.1.post2 \ + mdplus==0.1.2 + +COPY docker/fix-nglview.sh /tmp/fix-nglview.sh +RUN bash /tmp/fix-nglview.sh # Get workshop files and move them to jovyan directory. COPY --chown=1000:100 . . diff --git a/docker/fix-nglview.sh b/docker/fix-nglview.sh new file mode 100644 index 0000000..9fdd518 --- /dev/null +++ b/docker/fix-nglview.sh @@ -0,0 +1,36 @@ +#!/usr/bin/env bash +set -euo pipefail + +# Locate nglview's Python frontend file +NGLVIEW_DIR=$(python -c "import nglview, os; print(os.path.dirname(nglview.__file__))") +FRONTEND_FILE="$NGLVIEW_DIR/_frontend.py" + +if [[ ! -f "$FRONTEND_FILE" ]]; then + echo "nglview _frontend.py not found, skipping patch" >&2 + exit 0 +fi + +# Locate the installed labextension's package.json by searching +# every labextensions directory Jupyter knows about (handles conda's +# $CONDA_PREFIX/share/jupyter/labextensions layout automatically) +LABEXT_PKG=$(python -c " +from jupyter_core.paths import jupyter_path +import os, sys +for d in jupyter_path('labextensions'): + candidate = os.path.join(d, 'nglview-js-widgets', 'package.json') + if os.path.isfile(candidate): + print(candidate) + sys.exit(0) +sys.exit(1) +") || { echo "nglview-js-widgets labextension not found, skipping patch" >&2; exit 0; } + +PY_VERSION=$(python -c "import re; print(re.search(r\"__frontend_version__ = '([^']+)'\", open('$FRONTEND_FILE').read()).group(1))") +JS_VERSION=$(python -c "import json; print(json.load(open('$LABEXT_PKG'))['version'])") + +# If there is a version mismatch then make them the same python side. +if [[ "$PY_VERSION" != "$JS_VERSION" ]]; then + echo "nglview mismatch: python=$PY_VERSION js=$JS_VERSION (found at $LABEXT_PKG) -- patching" + sed -i "s/__frontend_version__ = '$PY_VERSION'/__frontend_version__ = '$JS_VERSION'/" "$FRONTEND_FILE" +else + echo "nglview versions already match ($PY_VERSION), skipping patch" +fi