diff --git a/.github/workflows/build.yaml b/.github/workflows/build.yaml index 5ea4f2335..077ebf276 100644 --- a/.github/workflows/build.yaml +++ b/.github/workflows/build.yaml @@ -22,8 +22,8 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - python-version: [3.8, 3.9, "3.10"] - torch: [1.13.0, 2.1.0, 2.2.0] + python-version: [3.8, 3.9, "3.10", "3.11"] + torch: [1.13.0, 2.1.0, 2.2.0, 2.3.0, 2.4.0] # https://github.com/marketplace/actions/setup-miniconda#use-a-default-shell defaults: run: @@ -33,28 +33,33 @@ jobs: uses: actions/checkout@v3 # See: https://github.com/marketplace/actions/setup-miniconda - name: Setup miniconda - uses: conda-incubator/setup-miniconda@v2 + uses: conda-incubator/setup-miniconda@v3 with: auto-update-conda: true miniforge-variant: Mambaforge channels: "conda-forge, salilab, pytorch, pyg" python-version: ${{ matrix.python-version }} use-mamba: true + - name: Install setuptools + run: pip install setuptools==69.5.1 - name: Install Boost 1.7.3 (for DSSP) run: conda install -c anaconda libboost=1.73.0 - name: Install DSSP run: conda install dssp -c salilab - name: Install mmseqs run: mamba install -c conda-forge -c bioconda mmseqs2 - - name: Install PyTorch - #run: mamba install -c pytorch pytorch==${{matrix.torch}} cpuonly - run: pip install torch==${{matrix.torch}}+cpu -f https://download.pytorch.org/whl/torch_stable.html + - name: Install PyTorch (1.13.0) + if: matrix.torch == '1.13.0' + run: pip install torch==${{matrix.torch}}+cpu --extra-index-url https://download.pytorch.org/whl/cpu + - name: Install PyTorch (2.0+) + if: matrix.torch != '1.13.0' + run: pip install torch==${{matrix.torch}} -f https://download.pytorch.org/whl/cpu - name: Install PyG #run: mamba install -c pyg pyg run: pip install torch_geometric - name: Install torch-cluster #run: mamba install pytorch-cluster -c pyg - run: pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-${{matrix.torch}}+cpu.html + run: pip install torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-${{matrix.torch}}+cpu.html - name: Install BLAST run: sudo apt install ncbi-blast+ - name: Install Graphein @@ -68,4 +73,4 @@ jobs: - name: Run unit tests and generate coverage report run: pytest . - name: Test notebook execution - run: pytest --nbval-lax notebooks/ --current-env --ignore-glob="notebooks/dataloader_tutorial.ipynb" --ignore-glob="notebooks/datasets_and_dataloaders.ipynb" --ignore-glob="notebooks/foldcomp.ipynb" + run: pytest --nbval-lax notebooks/ --nbval-current-env --ignore-glob="notebooks/dataloader_tutorial.ipynb" --ignore-glob="notebooks/datasets_and_dataloaders.ipynb" --ignore-glob="notebooks/foldcomp.ipynb" --ignore-glob="notebooks/grn_tutorial.ipynb" diff --git a/.github/workflows/code-tests-docker.yaml b/.github/workflows/code-tests-docker.yaml index e483b30a5..da45e3d61 100644 --- a/.github/workflows/code-tests-docker.yaml +++ b/.github/workflows/code-tests-docker.yaml @@ -1,6 +1,13 @@ name: Code tests (docker) -on: [pull_request] +on: + pull_request: + paths-ignore: + - "README.md" + - "CHANGELOG.md" + - "CONTRIBUTORS.md" + - "CONTRIBUTING.md" + - "docs/**" jobs: code-tests-docker: @@ -38,7 +45,7 @@ jobs: - name: Build Docker container # if: steps.cache-environment.outputs.cache-hit != 'true' run: | - docker-compose -f docker-compose.cpu.yml up -d --build + docker compose -f docker-compose.cpu.yml up -d --build - name: Install Graphein (Docker) run: | @@ -50,7 +57,7 @@ jobs: - name: Run example notebooks (Docker) run: | - docker exec $(docker ps -q) bash -c 'grep -l smoke_test notebooks/*.ipynb | pytest --nbval-lax --current-env' + docker exec $(docker ps -q) bash -c 'grep -l smoke_test notebooks/*.ipynb | pytest --nbval-lax --nbval-current-env' - name: Upload code coverage run: | diff --git a/.github/workflows/minimal__install.yaml b/.github/workflows/minimal__install.yaml index 2d1f96bd0..fee457caf 100644 --- a/.github/workflows/minimal__install.yaml +++ b/.github/workflows/minimal__install.yaml @@ -34,7 +34,7 @@ jobs: uses: actions/checkout@v3 # See: https://github.com/marketplace/actions/setup-miniconda - name: Setup miniconda - uses: conda-incubator/setup-miniconda@v2 + uses: conda-incubator/setup-miniconda@v3 with: auto-update-conda: true miniforge-variant: Mambaforge @@ -50,4 +50,4 @@ jobs: - name: Run unit tests and generate coverage report run: pytest . --ignore-glob="tests/protein/tensor" --ignore="tests/ml/test_conversion.py" --ignore="tests/ml/test_torch_geometric_dataset.py" - name: Test notebook execution - run: pytest --nbval-lax notebooks/ --current-env --ignore-glob="notebooks/dataloader_tutorial.ipynb" --ignore-glob="notebooks/higher_order_graphs.ipynb" --ignore-glob="notebooks/protein_graph_analytics.ipynb" --ignore-glob="notebooks/subgraphing_tutorial.ipynb" --ignore-glob="notebooks/splitting_a_dataset.ipynb" --ignore-glob="notebooks/protein_tensors.ipynb" --ignore-glob="notebooks/datasets_and_dataloaders.ipynb" --ignore-glob="notebooks/foldcomp.ipynb" --ignore-glob="notebooks/creating_datasets_from_the_pdb.ipynb" + run: pytest --nbval-lax notebooks/ --nbval-current-env --ignore-glob="notebooks/dataloader_tutorial.ipynb" --ignore-glob="notebooks/higher_order_graphs.ipynb" --ignore-glob="notebooks/protein_graph_analytics.ipynb" --ignore-glob="notebooks/subgraphing_tutorial.ipynb" --ignore-glob="notebooks/splitting_a_dataset.ipynb" --ignore-glob="notebooks/protein_tensors.ipynb" --ignore-glob="notebooks/datasets_and_dataloaders.ipynb" --ignore-glob="notebooks/foldcomp.ipynb" --ignore-glob="notebooks/creating_datasets_from_the_pdb.ipynb" --ignore-glob="notebooks/grn_tutorial.ipynb" diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index aaf2e31a6..3295cca5b 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -2,14 +2,14 @@ # See https://pre-commit.com/hooks.html for more hooks repos: - repo: https://github.com/pre-commit/pre-commit-hooks - rev: v4.5.0 + rev: v4.6.0 hooks: - id: trailing-whitespace - id: end-of-file-fixer - id: check-yaml - id: check-added-large-files - repo: https://github.com/psf/black - rev: 24.3.0 + rev: 24.8.0 hooks: - id: black - repo: https://github.com/pre-commit/pre-commit-hooks diff --git a/.requirements/base.in b/.requirements/base.in index 8369bfd7c..a35d14874 100644 --- a/.requirements/base.in +++ b/.requirements/base.in @@ -1,14 +1,16 @@ -pandas<2.0.0 -biopandas>=0.5.0.dev0 +pandas +biopandas>=0.5.1 biopython bioservices>=1.10.0 +cpdb-protein==0.2.0 +cython deepdiff loguru looseversion matplotlib>=3.4.3 multipledispatch networkx -numpy<1.24.0 +numpy<2 pandas plotly pydantic diff --git a/CHANGELOG.md b/CHANGELOG.md index 66528fe5d..9297689d1 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,19 +1,37 @@ -### 1.7.7 - UNRELEASED +### 1.7.7 - 03/08/2024 -### Bugfixes +#### Bugfixes +* Hotfix greater than/less than operations in PDBManager oligmer selection to include equality. [#408](https://github.com/a-r-j/graphein/pull/408). +* Fixes progress bar for `download_pdb_multiprocessing`. [#394](https://github.com/a-r-j/graphein/pull/394) +* Add support for DSSP >4. Backwards compatibility is still supported. [#355](https://github.com/a-r-j/graphein/pull/355). Fixes [#353](https://github.com/a-r-j/graphein/issues/353). +* Fixes bug where RSA features are missing from nodes with insertion codes. [#355](https://github.com/a-r-j/graphein/pull/355). Fixes [#354](https://github.com/a-r-j/graphein/issues/353). * Fix bug where the `deprotonate` argument is not wired up to `graphein.protein.graphs.construct_graphs`. [#375](https://github.com/a-r-j/graphein/pull/375) -* Remove `typing_extension` as dependency since we now only support Python >=3.8 and `Literal` is included in `typing` there. +* Add missing modified residue `AYA` to constants [#390](https://github.com/a-r-j/graphein/pull/390) +* Fix bug where the `deprotonate` argument is not wired up to `graphein.protein.graphs.construct_graphs` [#375](https://github.com/a-r-j/graphein/pull/375) +* Fix cluster file loading bug in `pdb_data.py` [#396](https://github.com/a-r-j/graphein/pull/396) +* Uses [`cpdb`](https://github.com/a-r-j/CPDB) as default PDB file parser for improved performance. [#323](https://github.com/a-r-j/graphein/pull/323). +* Improves storage of hetatm data in `graphein.protein.tensor.io.protein_to_pyg` [#397](https://github.com/a-r-j/graphein/pull/397). + +#### Misc -### 1.7.6 +* set logging to false by default and added mmcif support [#402](https://github.com/a-r-j/graphein/pull/402) +* add metadata options for uniprot, ecnumber and CATH code to pdb manager [#398](https://github.com/a-r-j/graphein/pull/398) +* bumped logging level down from `INFO` to `DEBUG` at several places to reduced output length [#391](https://github.com/a-r-j/graphein/pull/391) +* exposed `fill_value` and `bfactor` option to `protein_to_pyg` function. [#385](https://github.com/a-r-j/graphein/pull/385) and [#388](https://github.com/a-r-j/graphein/pull/388) +* Updated Foldcomp datasets with improved setup function and updated database choices such as ESMAtlas. [#382](https://github.com/a-r-j/graphein/pull/382) +* Resolve issue with notebook version and `pluggy` in Dockerfile. [#372](https://github.com/a-r-j/graphein/pull/372) +* Remove `typing_extension` as dependency since we now primarily support Python >=3.8 and `Literal` is included in `typing` there. + +### 1.7.6 - 08/02/2024 #### Bugfixes -* Fixes bug in pdb_manager for clustering sequences via mmseqs [#377](https://github.com/a-r-j/graphein/pull/377) -* Remove hydrogen isotopes as well in `graphein.protein.graphs.deprotonate_structure`. [#337](https://github.com/a-r-j/graphein/pull/337) -* Fixes bug in sidechain torsion angle computation for structures containing `PYL`/other non-standard amino acids ([#357](https://github.com/a-r-j/graphein/pull/357)). Fixes [#356](https://github.com/a-r-j/graphein/issues/356). -* Replaces RCSB PDB FTP urls with new API. [#364](https://github.com/a-r-j/graphein/pull/364) -* In Pandas `1.2.0` and later, The default value of regex for `Series.str.replace()` will change from `True` to `False`. So we need use regular expressions explicitly now, to suppress a FutureWarning. By @StevenAZy ([#359](https://www.github.com/a-r-j/graphein/pull/359)) +* Fixes bug in pdb_manager for clustering sequences via mmseqs [#377](https://github.com/a-r-j/graphein/pull/377) +* Remove hydrogen isotopes as well in `graphein.protein.graphs.deprotonate_structure`. [#337](https://github.com/a-r-j/graphein/pull/337) +* Fixes bug in sidechain torsion angle computation for structures containing `PYL`/other non-standard amino acids ([#357](https://github.com/a-r-j/graphein/pull/357)). Fixes [#356](https://github.com/a-r-j/graphein/issues/356). +* Replaces RCSB PDB FTP urls with new API. [#364](https://github.com/a-r-j/graphein/pull/364) +* In Pandas `1.2.0` and later, The default value of regex for `Series.str.replace()` will change from `True` to `False`. So we need use regular expressions explicitly now, to suppress a FutureWarning. By @StevenAZy ([#359](https://www.github.com/a-r-j/graphein/pull/359)) ### 1.7.5 - 27/10/2024 @@ -36,38 +54,39 @@ #### New Features -- [Feature] - [#305](https://github.com/a-r-j/graphein/pull/305) Adds the `add_virtual_beta_carbon_vector` function inspired by [RFdiffusion](https://github.com/RosettaCommons/RFdiffusion/blob/main/rfdiffusion/coords6d.py#L37) and ProteinMPNN. +* [Feature] - [#305](https://github.com/a-r-j/graphein/pull/305) Adds the `add_virtual_beta_carbon_vector` function inspired by [RFdiffusion](https://github.com/RosettaCommons/RFdiffusion/blob/main/rfdiffusion/coords6d.py#L37) and ProteinMPNN. #### API Changes -- Chain selections are now specified with either `"all"` or a list of strings (e.g. `["A", "B"]`) rather than a single selection string (e.g. `"AB"`). This is a necessary chain due to MMTF support which can have multicharacter chain identifiers. [#307](https://github.com/a-r-j/graphein/pull/307) +* Chain selections are now specified with either `"all"` or a list of strings (e.g. `["A", "B"]`) rather than a single selection string (e.g. `"AB"`). This is a necessary chain due to MMTF support which can have multicharacter chain identifiers. [#307](https://github.com/a-r-j/graphein/pull/307) #### Improvements -- [Bugfix] - [#305](https://github.com/a-r-j/graphein/pull/305) Fixes `add_k_nn_edges` for the case when some residues were dropped before (e.g. when some alt_locs are removed). -- [Bugfix] - [#305](https://github.com/a-r-j/graphein/pull/305) Removes obsolete `remove_insertions` in [`rgroup_df` construction](https://github.com/a-r-j/graphein/blob/649a490505740a266b26976807e7f303c2a32ff0/graphein/protein/graphs.py#L540). -- [Bugfix] - [#305](https://github.com/a-r-j/graphein/pull/305) Fixes the construction of geometric features when beta-carbons or side chains are missing in non-glycine residues (for example in `H:CYS:104` in 3SE8). -- [Bugfix] - [#305](https://github.com/a-r-j/graphein/pull/305) Fixes data types of geometric feature vectors: `object` -> `float`. -- [Bugfix] - [#301](https://github.com/a-r-j/graphein/pull/301) Fixes the conversion of undirected NetworkX graph to directed PyG data. -- [Bugfix] - [#334](https://github.com/a-r-j/graphein/pull/334) Fixes the corner case of the NetworkX -> PyG conversion when input graph has no edges. +* [Bugfix] - [#305](https://github.com/a-r-j/graphein/pull/305) Fixes `add_k_nn_edges` for the case when some residues were dropped before (e.g. when some alt_locs are removed). +* [Bugfix] - [#305](https://github.com/a-r-j/graphein/pull/305) Removes obsolete `remove_insertions` in [`rgroup_df` construction](https://github.com/a-r-j/graphein/blob/649a490505740a266b26976807e7f303c2a32ff0/graphein/protein/graphs.py#L540). +* [Bugfix] - [#305](https://github.com/a-r-j/graphein/pull/305) Fixes the construction of geometric features when beta-carbons or side chains are missing in non-glycine residues (for example in `H:CYS:104` in 3SE8). +* [Bugfix] - [#305](https://github.com/a-r-j/graphein/pull/305) Fixes data types of geometric feature vectors: `object` -> `float`. +* [Bugfix] - [#301](https://github.com/a-r-j/graphein/pull/301) Fixes the conversion of undirected NetworkX graph to directed PyG data. +* [Bugfix] - [#334](https://github.com/a-r-j/graphein/pull/334) Fixes the corner case of the NetworkX -> PyG conversion when input graph has no edges. -https://github.com/a-r-j/graphein/pull/334 + #### Bugfixes -- Adds missing `stage` parameter to `graphein.ml.datasets.foldcomp_data.FoldCompDataModule.setup()`. [#310](https://github.com/a-r-j/graphein/pull/310) -- Ensures exproting groups of PDB chains with PDBManager selects the first model for multu-model structures. [#311](https://github.com/a-r-j/graphein/pull/311) -- Fixes bug with exporting PDBs with only one splitting strategy in PDBManager [#311](https://github.com/a-r-j/graphein/pull/311) -- Fixes incorrect jaxtyping syntax for variable size dimensions [#312](https://github.com/a-r-j/graphein/pull/312) -- Fixes shape of angle embeddings for `graphein.protein.tesnor.angles.alpha/kappa`. [#315](https://github.com/a-r-j/graphein/pull/315) -- Fixes initialisation of `Protein` objects. [#317](https://github.com/a-r-j/graphein/issues/317) [#318](https://github.com/a-r-j/graphein/pull/318) -- Fixes incorrect `rad` and `embed` argument logic in `graphein.protein.tensor.angles.dihedrals/sidechain_torsion` [#321](https://github.com/a-r-j/graphein/pull/321) -- Fixes incorrect start padding in pNeRF output [#321](https://github.com/a-r-j/graphein/pull/321) -- Fixes `pyyaml` breaking installation [#328](https://github.com/a-r-j/graphein/pull/328) -- Fixes setting ID for PyG data objects when loading from a path to a `.pdb` file [#332](https://github.com/a-r-j/graphein/pull/332) +* Adds missing `stage` parameter to `graphein.ml.datasets.foldcomp_data.FoldCompDataModule.setup()`. [#310](https://github.com/a-r-j/graphein/pull/310) +* Ensures exproting groups of PDB chains with PDBManager selects the first model for multu-model structures. [#311](https://github.com/a-r-j/graphein/pull/311) +* Fixes bug with exporting PDBs with only one splitting strategy in PDBManager [#311](https://github.com/a-r-j/graphein/pull/311) +* Fixes incorrect jaxtyping syntax for variable size dimensions [#312](https://github.com/a-r-j/graphein/pull/312) +* Fixes shape of angle embeddings for `graphein.protein.tesnor.angles.alpha/kappa`. [#315](https://github.com/a-r-j/graphein/pull/315) +* Fixes initialisation of `Protein` objects. [#317](https://github.com/a-r-j/graphein/issues/317) [#318](https://github.com/a-r-j/graphein/pull/318) +* Fixes incorrect `rad` and `embed` argument logic in `graphein.protein.tensor.angles.dihedrals/sidechain_torsion` [#321](https://github.com/a-r-j/graphein/pull/321) +* Fixes incorrect start padding in pNeRF output [#321](https://github.com/a-r-j/graphein/pull/321) +* Fixes `pyyaml` breaking installation [#328](https://github.com/a-r-j/graphein/pull/328) +* Fixes setting ID for PyG data objects when loading from a path to a `.pdb` file [#332](https://github.com/a-r-j/graphein/pull/332) #### Other Changes + - Adds transform composition to FoldComp Dataset [#312](https://github.com/a-r-j/graphein/pull/312) - Adds entry point for biopandas dataframes in `graphein.protein.tensor.io.protein_to_pyg`. [#310](https://github.com/a-r-j/graphein/pull/310) - Adds support for `.ent` files to `graphein.protein.graphs.read_pdb_to_dataframe`. [#310](https://github.com/a-r-j/graphein/pull/310) @@ -85,97 +104,97 @@ https://github.com/a-r-j/graphein/pull/334 #### New Features -- [PDBManager] - [#272](https://github.com/a-r-j/graphein/pull/272) Adds a utility for creating custom dataset splits from the PDB. -- [FoldComp Dataset] - [#284](https://github.com/a-r-j/graphein/pull/284) - Create ML datasets from FoldComp databases. -- [ESM] - [#284](https://github.com/a-r-j/graphein/pull/284) - Wrapper for ESMFold batch folding & embedding. -- [Downloads] MMTF downloading now supported in download utilities. [#272](https://github.com/a-r-j/graphein/pull/272) +* [PDBManager] - [#272](https://github.com/a-r-j/graphein/pull/272) Adds a utility for creating custom dataset splits from the PDB. +* [FoldComp Dataset] - [#284](https://github.com/a-r-j/graphein/pull/284) - Create ML datasets from FoldComp databases. +* [ESM] - [#284](https://github.com/a-r-j/graphein/pull/284) - Wrapper for ESMFold batch folding & embedding. +* [Downloads] MMTF downloading now supported in download utilities. [#272](https://github.com/a-r-j/graphein/pull/272) #### API Changes -- The `pdb_path` argument to many functions (e.g. `graphein.protein.graphs.construct_graph`) has been renamed to `path` as this can now accept MMTF files in addition to PDB files. -- `Protein` tensors have coordinates renamed from `Protein.x` to `Protein.coords`. [#272](https://github.com/a-r-j/graphein/pull/272) +* The `pdb_path` argument to many functions (e.g. `graphein.protein.graphs.construct_graph`) has been renamed to `path` as this can now accept MMTF files in addition to PDB files. +* `Protein` tensors have coordinates renamed from `Protein.x` to `Protein.coords`. [#272](https://github.com/a-r-j/graphein/pull/272) #### Other changes -- Tensor types are now defined using [`jaxtyping`](https://github.com/google/jaxtyping), removing the `torchtyping` dependency [#272](https://github.com/a-r-j/graphein/pull/272) -- Drops explicit Python 3.7 support. Colab now runs on 3.8+. [#272](https://github.com/a-r-j/graphein/pull/272) -- Dockerfile now builds from `pytorch/pytorch:1.13.0-cuda11.6-cudnn8-runtime` (replaces `pytorch/pytorch:1.9.1-cuda11.1-cudnn8-runtime`) [#272](https://github.com/a-r-j/graphein/pull/272) -- Missing `os` import fixed in [#297(https://github.com/a-r-j/graphein/pull/297). Fixes [#296](https://github.com/a-r-j/graphein/issues/296) +* Tensor types are now defined using [`jaxtyping`](https://github.com/google/jaxtyping), removing the `torchtyping` dependency [#272](https://github.com/a-r-j/graphein/pull/272) +* Drops explicit Python 3.7 support. Colab now runs on 3.8+. [#272](https://github.com/a-r-j/graphein/pull/272) +* Dockerfile now builds from `pytorch/pytorch:1.13.0-cuda11.6-cudnn8-runtime` (replaces `pytorch/pytorch:1.9.1-cuda11.1-cudnn8-runtime`) [#272](https://github.com/a-r-j/graphein/pull/272) +* Missing `os` import fixed in [#297(https://github.com/a-r-j/graphein/pull/297). Fixes [#296](https://github.com/a-r-j/graphein/issues/296) ### 1.6.0 - 18/03/2023 #### New Features -- [Metrics] - [#245](https://github.com/a-r-j/graphein/pull/221) Adds a selection of structural metrics relevant to protein structures. -- [Tensor Operations] - [#244](https://github.com/a-r-j/graphein/pull/244) Adds suite of utilities for working directly with tensor-based representations of proteins (graphein.protein.tensor). -- [Tensor Operations] - [#244](https://github.com/a-r-j/graphein/pull/244) Adds suite of utilities for working with ESMfold (graphein.protein.folding_utils). +* [Metrics] - [#245](https://github.com/a-r-j/graphein/pull/221) Adds a selection of structural metrics relevant to protein structures. +* [Tensor Operations] - [#244](https://github.com/a-r-j/graphein/pull/244) Adds suite of utilities for working directly with tensor-based representations of proteins (graphein.protein.tensor). +* [Tensor Operations] - [#244](https://github.com/a-r-j/graphein/pull/244) Adds suite of utilities for working with ESMfold (graphein.protein.folding_utils). #### Improvements -- [Feature] = [#277](https://github.com/a-r-j/graphein/pull/227) Adds support for pathlib paths for protein graph creation. [#269](https://github.com/a-r-j/graphein/issues/269) -- [Logging] - [#221](https://github.com/a-r-j/graphein/pull/221) Adds global control of logging with `graphein.verbose(enabled=False)`. -- [Logging] - [#242](https://github.com/a-r-j/graphein/pull/242) Adds control of protein graph construction logging. Resolves [#238](https://github.com/a-r-j/graphein/issues/238) +* [Feature] = [#277](https://github.com/a-r-j/graphein/pull/227) Adds support for pathlib paths for protein graph creation. [#269](https://github.com/a-r-j/graphein/issues/269) +* [Logging] - [#221](https://github.com/a-r-j/graphein/pull/221) Adds global control of logging with `graphein.verbose(enabled=False)`. +* [Logging] - [#242](https://github.com/a-r-j/graphein/pull/242) Adds control of protein graph construction logging. Resolves [#238](https://github.com/a-r-j/graphein/issues/238) #### Protein -- [Bugfix] - [#222] Fixes entrypoint for user-defined `df_processing_funcs` ([#216](https://github.com/a-r-j/graphein/issues/216)) -- [Feature] = [#263](https://github.com/a-r-j/graphein/pull/263) Adds control of Alt Loc selection strategy. N.b. Default `ProteinGraphConfig` changed to include insertions by default (`insertions=True`) and `alt_locs="max_occupancy"`. -- [Feature] - [#264](https://github.com/a-r-j/graphein/pull/264) Adds entrypoint to `graphein.protein.graphs.construct_graph` for passing in a BioPandas dataframe directly. -- [Feature] - [#229](https://github.com/a-r-j/graphein/pull/220) Adds support for filtering KNN edges based on self-loops and chain membership. Contribution by @anton-bushuiev. -- [Feature] - [#234](https://github.com/a-r-j/graphein/pull/234) Adds support for aggregating node features over residues (`graphein.protein.features.sequence.utils.aggregate_feature_over_residues`). -- [Bugfix] - [#234](https://github.com/a-r-j/graphein/pull/234) fixes use of nullcontext in silent graph construction. -- [Bugfix] - [#234](https://github.com/a-r-j/graphein/pull/234) Fixes division by zero errors for edge colouring in visualisation. -- [Bugfix] - [#254](https://github.com/a-r-j/graphein/pull/254) Fix peptide bond addition for all atom graphs. -- [Bugfix] - [#223](https://github.com/a-r-j/graphein/pull/220) Fix handling of insertions in protein graphs. Insertions are now given IDs like: `A:SER:12:A`. Contribution by @manonreau. -- [Bugfix] - [#226](https://github.com/a-r-j/graphein/pull/226) Catches failed AF2 structure downloads [#225](https://github.com/a-r-j/graphein/issues/225) +* [Bugfix] - [#222] Fixes entrypoint for user-defined `df_processing_funcs` ([#216](https://github.com/a-r-j/graphein/issues/216)) +* [Feature] = [#263](https://github.com/a-r-j/graphein/pull/263) Adds control of Alt Loc selection strategy. N.b. Default `ProteinGraphConfig` changed to include insertions by default (`insertions=True`) and `alt_locs="max_occupancy"`. +* [Feature] - [#264](https://github.com/a-r-j/graphein/pull/264) Adds entrypoint to `graphein.protein.graphs.construct_graph` for passing in a BioPandas dataframe directly. +* [Feature] - [#229](https://github.com/a-r-j/graphein/pull/220) Adds support for filtering KNN edges based on self-loops and chain membership. Contribution by @anton-bushuiev. +* [Feature] - [#234](https://github.com/a-r-j/graphein/pull/234) Adds support for aggregating node features over residues (`graphein.protein.features.sequence.utils.aggregate_feature_over_residues`). +* [Bugfix] - [#234](https://github.com/a-r-j/graphein/pull/234) fixes use of nullcontext in silent graph construction. +* [Bugfix] - [#234](https://github.com/a-r-j/graphein/pull/234) Fixes division by zero errors for edge colouring in visualisation. +* [Bugfix] - [#254](https://github.com/a-r-j/graphein/pull/254) Fix peptide bond addition for all atom graphs. +* [Bugfix] - [#223](https://github.com/a-r-j/graphein/pull/220) Fix handling of insertions in protein graphs. Insertions are now given IDs like: `A:SER:12:A`. Contribution by @manonreau. +* [Bugfix] - [#226](https://github.com/a-r-j/graphein/pull/226) Catches failed AF2 structure downloads [#225](https://github.com/a-r-j/graphein/issues/225) -- [Bugfix] - [#229](https://github.com/a-r-j/graphein/pull/220) Fixes bug in KNN edge computation. Contribution by @anton-bushuiev. -- [Bugfix] - [#220](https://github.com/a-r-j/graphein/pull/220) Fixes edge metadata conversion to PyG. Contribution by @manonreau. -- [Bugfix] - [#220](https://github.com/a-r-j/graphein/pull/220) Fixes centroid atom grouping & avoids unnecessary edge computation where none are found. Contribution by @manonreau. +* [Bugfix] - [#229](https://github.com/a-r-j/graphein/pull/220) Fixes bug in KNN edge computation. Contribution by @anton-bushuiev. +* [Bugfix] - [#220](https://github.com/a-r-j/graphein/pull/220) Fixes edge metadata conversion to PyG. Contribution by @manonreau. +* [Bugfix] - [#220](https://github.com/a-r-j/graphein/pull/220) Fixes centroid atom grouping & avoids unnecessary edge computation where none are found. Contribution by @manonreau. -- [Bugfix] - [#268](https://github.com/a-r-j/graphein/pull/268) Fixes 'sequence' metadata feature for atomistic graphs, removing duplicate residues. Contribution by @kamurani. +* [Bugfix] - [#268](https://github.com/a-r-j/graphein/pull/268) Fixes 'sequence' metadata feature for atomistic graphs, removing duplicate residues. Contribution by @kamurani. #### ML -- [Bugfix] - [#234](https://github.com/a-r-j/graphein/pull/234) - Fixes bugs and improves `conversion.convert_nx_to_pyg` and `visualisation.plot_pyg_data`. Removes distance matrix (`dist_mat`) from defualt set of features converted to tensor. +* [Bugfix] - [#234](https://github.com/a-r-j/graphein/pull/234) - Fixes bugs and improves `conversion.convert_nx_to_pyg` and `visualisation.plot_pyg_data`. Removes distance matrix (`dist_mat`) from defualt set of features converted to tensor. #### Utils -- [Improvement] - [#234](https://github.com/a-r-j/graphein/pull/234) - Adds `parse_aggregation_type` to retrieve aggregation functions. +* [Improvement] - [#234](https://github.com/a-r-j/graphein/pull/234) - Adds `parse_aggregation_type` to retrieve aggregation functions. #### RNA -- [Bugfix] - [#281](https://github.com/a-r-j/graphein/pull/234) - Bugfix for nx->PyG conversion for graphs containing edges without "kind" attributes. Contribution by @rg314. +* [Bugfix] - [#281](https://github.com/a-r-j/graphein/pull/234) - Bugfix for nx->PyG conversion for graphs containing edges without "kind" attributes. Contribution by @rg314. #### Constants -- [Improvement] - [#234](https://github.com/a-r-j/graphein/pull/234) - Adds 1 to 3 mappings to `graphein.protein.resi_atoms`. +* [Improvement] - [#234](https://github.com/a-r-j/graphein/pull/234) - Adds 1 to 3 mappings to `graphein.protein.resi_atoms`. #### Documentation -- [Tensor Module] - [#244](https://github.com/a-r-j/graphein/pull/244) Documents new graphein.protein.tensor module. -- [CI] - [#244](https://github.com/a-r-j/graphein/pull/244) Updates to intersphinx maps +* [Tensor Module] - [#244](https://github.com/a-r-j/graphein/pull/244) Documents new graphein.protein.tensor module. +* [CI] - [#244](https://github.com/a-r-j/graphein/pull/244) Updates to intersphinx maps #### Package -- [CI] - [#244](https://github.com/a-r-j/graphein/pull/244) CI now runs for python 3.8, 3.9 and torch 1.12.0 and 1.13.0 -- [CI] - [#244](https://github.com/a-r-j/graphein/pull/244) Separate builds for core library and library with DL dependencies. -- [Licence] - [#244](https://github.com/a-r-j/graphein/pull/244) Bump to 2023 +* [CI] - [#244](https://github.com/a-r-j/graphein/pull/244) CI now runs for python 3.8, 3.9 and torch 1.12.0 and 1.13.0 +* [CI] - [#244](https://github.com/a-r-j/graphein/pull/244) Separate builds for core library and library with DL dependencies. +* [Licence] - [#244](https://github.com/a-r-j/graphein/pull/244) Bump to 2023 ### 1.5.2 - 19/9/2022 #### Protein -- [Bugfix] - [#206](https://github.com/a-r-j/graphein/pull/206) Fixes `KeyError` when using `graphein.protein.edges.distance.node_coords` -- [Bugfix] - Includes missing data files in `MANIFEST.in` #205 +* [Bugfix] - [#206](https://github.com/a-r-j/graphein/pull/206) Fixes `KeyError` when using `graphein.protein.edges.distance.node_coords` +* [Bugfix] - Includes missing data files in `MANIFEST.in` #205 #### GRN -- [Bugfix] - [#208](https://github.com/a-r-j/graphein/pull/208) - Resolves SSL issues with RegNetwork. +* [Bugfix] - [#208](https://github.com/a-r-j/graphein/pull/208) - Resolves SSL issues with RegNetwork. #### ML -- [Feature] - [#208](https://github.com/a-r-j/graphein/pull/208) support for loading local pdb files by `ProteinGraphDataset` and `InMemoryProteinGraphDataset`. +* [Feature] - [#208](https://github.com/a-r-j/graphein/pull/208) support for loading local pdb files by `ProteinGraphDataset` and `InMemoryProteinGraphDataset`. > by adding a params:`pdb_paths` and set the `self.raw_dir` to the root path(`self.pdb_path`) of pdb_paths list (the root path should be only one, pdb files should be under the same folder). > @@ -184,7 +203,7 @@ https://github.com/a-r-j/graphein/pull/334 #### CI -- [Bugfix] - [#208](https://github.com/a-r-j/graphein/pull/208) explicitly installs `jupyter_contrib_nbextensions` in Docker. +* [Bugfix] - [#208](https://github.com/a-r-j/graphein/pull/208) explicitly installs `jupyter_contrib_nbextensions` in Docker. ### 1.5.1 * [Feature] - [#197](https://github.com/a-r-j/graphein/pull/197/) adds support for sizing and colouring nodes in asteroid plots @@ -192,146 +211,146 @@ https://github.com/a-r-j/graphein/pull/334 #### Protein -- [Feature] - [#186](https://github.com/a-r-j/graphein/pull/186) adds support for scaling node sizes in plots by a computed feature. Contribution by @cimranm -- [Feature] - [#189](https://github.com/a-r-j/graphein/pull/189/) adds support for parallelised download from the PDB. -- [Feature] - [#189](https://github.com/a-r-j/graphein/pull/189/) adds support for: van der waals interactions, vdw clashes, pi-stacking interactions, t_stacking interactions, backbone carbonyl-carbonyl interactions, salt bridges -- [Feature] - [#189](https://github.com/a-r-j/graphein/pull/189/) adds a `residue_id` column to PDB dfs to enable easier accounting in atom graphs. -- [Feature] - [#189](https://github.com/a-r-j/graphein/pull/189/) refactors torch geometric datasets to use parallelised download for faster dataset preparation. +* [Feature] - [#186](https://github.com/a-r-j/graphein/pull/186) adds support for scaling node sizes in plots by a computed feature. Contribution by @cimranm +* [Feature] - [#189](https://github.com/a-r-j/graphein/pull/189/) adds support for parallelised download from the PDB. +* [Feature] - [#189](https://github.com/a-r-j/graphein/pull/189/) adds support for: van der waals interactions, vdw clashes, pi-stacking interactions, t_stacking interactions, backbone carbonyl-carbonyl interactions, salt bridges +* [Feature] - [#189](https://github.com/a-r-j/graphein/pull/189/) adds a `residue_id` column to PDB dfs to enable easier accounting in atom graphs. +* [Feature] - [#189](https://github.com/a-r-j/graphein/pull/189/) refactors torch geometric datasets to use parallelised download for faster dataset preparation. #### Bugfixes -- [Patch] - [#187](https://github.com/a-r-j/graphein/pull/187) updates sequence retrieval due to UniProt API changes. -- [Patch] - [#189](https://github.com/a-r-j/graphein/pull/189) fixes bug where chains and PDB identifiers were not properly aligned in `ml.ProteinGraphDataset`. -- [Patch] - [#201](https://github.com/a-r-j/graphein/pull/201) Adds missing `MSE` to `graphein.protein.resi_atoms.RESI_NAMES`, `graphein.protein.resi_atoms.RESI_THREE_TO_1`. [#200](https://github.com/a-r-j/graphein/issues/200) -- [Patch] - [#201](https://github.com/a-r-j/graphein/pull/201) Fixes bug where check for same-chain always evaluates as False. [#199](https://github.com/a-r-j/graphein/issues/199) -- [Patch] - [#201](https://github.com/a-r-j/graphein/pull/201) Fixes bug where deprotonation would only remove hydrogens based on `atom_name` rather than `element_symbol`. [#198](https://github.com/a-r-j/graphein/issues/198) -- [Patch] - [#201](https://github.com/a-r-j/graphein/pull/201) Fixes bug in ProteinGraphDataset input validation. +* [Patch] - [#187](https://github.com/a-r-j/graphein/pull/187) updates sequence retrieval due to UniProt API changes. +* [Patch] - [#189](https://github.com/a-r-j/graphein/pull/189) fixes bug where chains and PDB identifiers were not properly aligned in `ml.ProteinGraphDataset`. +* [Patch] - [#201](https://github.com/a-r-j/graphein/pull/201) Adds missing `MSE` to `graphein.protein.resi_atoms.RESI_NAMES`, `graphein.protein.resi_atoms.RESI_THREE_TO_1`. [#200](https://github.com/a-r-j/graphein/issues/200) +* [Patch] - [#201](https://github.com/a-r-j/graphein/pull/201) Fixes bug where check for same-chain always evaluates as False. [#199](https://github.com/a-r-j/graphein/issues/199) +* [Patch] - [#201](https://github.com/a-r-j/graphein/pull/201) Fixes bug where deprotonation would only remove hydrogens based on `atom_name` rather than `element_symbol`. [#198](https://github.com/a-r-j/graphein/issues/198) +* [Patch] - [#201](https://github.com/a-r-j/graphein/pull/201) Fixes bug in ProteinGraphDataset input validation. #### Breaking Changes -- [#189](https://github.com/a-r-j/graphein/pull/189/) refactors PDB download util. Now returns path to download file, does not accept a config object but instead receives the output directory path directly. +* [#189](https://github.com/a-r-j/graphein/pull/189/) refactors PDB download util. Now returns path to download file, does not accept a config object but instead receives the output directory path directly. ### 1.5.0 #### Protein -- [Feature] - #165 adds support for direct AF2 graph construction. -- [Feature] - #165 adds support for selecting model indices from PDB files. -- [Feature] - #165 adds support for extracting interface subgraphs from complexes. -- [Feature] - #165 adds support for computing the radius of gyration of a structure. -- [Feature] - #165 adds support for adding distances to protein edges. -- [Feature] - #165 adds support for fully connected edges in protein graphs. -- [Feature] - #165 adds support for distance window-based edges for protein graphs. -- [Feature] - #165 adds support for transformer-like positional encoding of protein sequences. -- [Feature] - #165 adds support for plddt-like colouring of AF2 graphs -- [Feature] - #165 adds support for plotting PyG Data object (e.g. for logging to WandB). -- [Feature] - [#170](https://github.com/a-r-j/graphein/pull/170) Adds support for viewing edges in `graphein.protein.visualisation.asteroid_plot`. Contribution by @avivko. -- [Patch] - [#178](https://github.com/a-r-j/graphein/pull/178) Fixes [#171](https://github.com/a-r-j/graphein/pull/171) and optimizes `graphein.protein.features.nodes.dssp`. Contribution by @avivko. -- [Patch] - [#174](https://github.com/a-r-j/graphein/pull/174) prevents insertions always being removed. Resolves [#173](https://github.com/a-r-j/graphein/issues/173). Contribution by @OliverT1. -- [Patch] - #165 Refactors HETATM selections. +* [Feature] - #165 adds support for direct AF2 graph construction. +* [Feature] - #165 adds support for selecting model indices from PDB files. +* [Feature] - #165 adds support for extracting interface subgraphs from complexes. +* [Feature] - #165 adds support for computing the radius of gyration of a structure. +* [Feature] - #165 adds support for adding distances to protein edges. +* [Feature] - #165 adds support for fully connected edges in protein graphs. +* [Feature] - #165 adds support for distance window-based edges for protein graphs. +* [Feature] - #165 adds support for transformer-like positional encoding of protein sequences. +* [Feature] - #165 adds support for plddt-like colouring of AF2 graphs +* [Feature] - #165 adds support for plotting PyG Data object (e.g. for logging to WandB). +* [Feature] - [#170](https://github.com/a-r-j/graphein/pull/170) Adds support for viewing edges in `graphein.protein.visualisation.asteroid_plot`. Contribution by @avivko. +* [Patch] - [#178](https://github.com/a-r-j/graphein/pull/178) Fixes [#171](https://github.com/a-r-j/graphein/pull/171) and optimizes `graphein.protein.features.nodes.dssp`. Contribution by @avivko. +* [Patch] - [#174](https://github.com/a-r-j/graphein/pull/174) prevents insertions always being removed. Resolves [#173](https://github.com/a-r-j/graphein/issues/173). Contribution by @OliverT1. +* [Patch] - #165 Refactors HETATM selections. #### Molecules -- [Feature] - #165 adds additional graph-level molecule features. -- [Feature] - #165 adds support for generating conformers (and 3D graphs) from SMILES inputs -- [Feature] - #163 Adds support for molecule graph generation from an RDKit.Chem.Mol input. -- [Feature] - #163 Adds support for multiprocess molecule graph construction. +* [Feature] - #165 adds additional graph-level molecule features. +* [Feature] - #165 adds support for generating conformers (and 3D graphs) from SMILES inputs +* [Feature] - #163 Adds support for molecule graph generation from an RDKit.Chem.Mol input. +* [Feature] - #163 Adds support for multiprocess molecule graph construction. #### RNA -- [Feature] - #165 adds support for 3D RNA graph construction. -- [Feature] - #165 adds support for generating RNA SS from sequence using the Nussinov Algorithm. +* [Feature] - #165 adds support for 3D RNA graph construction. +* [Feature] - #165 adds support for generating RNA SS from sequence using the Nussinov Algorithm. #### Changes -- [Patch] - #163 uses tqdm.contrib.process_map insteap of multiprocessing.Pool.map to provide progress bars in multiprocessing. -- [Fix] - #165 makes returned subgraphs editable objects rather than views -- [Fix] - #165 fixes global logging set to "debug". -- [Fix] - #165 uses rich progress for protein graph construction. -- [Fix] - #165 sets saner default for node size in 3d plotly plots -- [Dependency] - #165 Changes CLI to use rich-click instead of click for prettier formatting. -- [Package] - #165 Adds support for logging with loguru and rich -- [Package] - Pin BioPandas version to 0.4.1 to support additional parsing features. +* [Patch] - #163 uses tqdm.contrib.process_map insteap of multiprocessing.Pool.map to provide progress bars in multiprocessing. +* [Fix] - #165 makes returned subgraphs editable objects rather than views +* [Fix] - #165 fixes global logging set to "debug". +* [Fix] - #165 uses rich progress for protein graph construction. +* [Fix] - #165 sets saner default for node size in 3d plotly plots +* [Dependency] - #165 Changes CLI to use rich-click instead of click for prettier formatting. +* [Package] - #165 Adds support for logging with loguru and rich +* [Package] - Pin BioPandas version to 0.4.1 to support additional parsing features. #### Breaking Changes -- #165 adds RNA SS edges into graphein.protein.edges.base_pairing -- #163 changes separate filetype input paths to `graphein.molecule.graphs.construct_graph`. Interface is simplified to simply `path="some/path.extension"` instead of separate inputs like `mol2_path=...` and `sdf_path=...`. +* #165 adds RNA SS edges into graphein.protein.edges.base_pairing +* #163 changes separate filetype input paths to `graphein.molecule.graphs.construct_graph`. Interface is simplified to simply `path="some/path.extension"` instead of separate inputs like `mol2_path=...` and `sdf_path=...`. ### 1.4.0 - UNRELEASED -- [Patch] - #158 changes the eigenvector computation method from `nx.eigenvector_centrality` to `nx.eigenvector_centrality_numpy`. -- [Feature] - #154 adds a way of checking that DSSP is executable before trying to use it. #154 -- [Feature] - #157 adds support for small molecule graphs using RDKit. Resolves #155. -- [Feature] - #159 adds support for conversion to Jraph graphs for JAX users. +* [Patch] - #158 changes the eigenvector computation method from `nx.eigenvector_centrality` to `nx.eigenvector_centrality_numpy`. +* [Feature] - #154 adds a way of checking that DSSP is executable before trying to use it. #154 +* [Feature] - #157 adds support for small molecule graphs using RDKit. Resolves #155. +* [Feature] - #159 adds support for conversion to Jraph graphs for JAX users. #### Breaking Changes -- #157 refactors config matching operators from `graphein.protein.config` to `graphein.utils.config` -- #157 refactors config parsing operators from `graphein.utils.config` to `graphein.utils.config_parser` +* #157 refactors config matching operators from `graphein.protein.config` to `graphein.utils.config` +* #157 refactors config parsing operators from `graphein.utils.config` to `graphein.utils.config_parser` ### 1.3.0 - 5/4/22 -- [Feature] - #141 adds edge construction based on sequence distance. -- [Feature] - #143 adds equality and isomorphism testing functions between graphs, nodes and edges ([#142](https://github.com/a-r-j/graphein/issues/142)) -- [Feature] - #144 adds support for chain-level and secondary structure-level graphs with associated visualisation tools and tutorial. Resolves [#128](https://github.com/a-r-j/graphein/issues/128) -- [Feature] - #144 adds support for chord diagram visualisations. -- [Feature] - #144 adds support for automagically downloading new PDB files for obsolete structures. -- [Feature] - #150 adds support for hydrogen bond donor and acceptor counts node features. #145 -- [Misc] - #144 makes visualisation functions accessible in the `graphein.protein` namespace. #138 -- [Bugfix] - #147 fixes error in `add_distance_threshold` introduced in v1.2.1 that would prevent the edges being added to the graph. [#146](https://github.com/a-r-j/graphein/issues/146) -- [Bugfix] - #149 fixes a bug in `add_beta_carbon_vector` that would cause coordinates to be extracted for multiple positions if the residue has an altloc. Resolves [#148](https://github.com/a-r-j/graphein/issues/148) +* [Feature] - #141 adds edge construction based on sequence distance. +* [Feature] - #143 adds equality and isomorphism testing functions between graphs, nodes and edges ([#142](https://github.com/a-r-j/graphein/issues/142)) +* [Feature] - #144 adds support for chain-level and secondary structure-level graphs with associated visualisation tools and tutorial. Resolves [#128](https://github.com/a-r-j/graphein/issues/128) +* [Feature] - #144 adds support for chord diagram visualisations. +* [Feature] - #144 adds support for automagically downloading new PDB files for obsolete structures. +* [Feature] - #150 adds support for hydrogen bond donor and acceptor counts node features. #145 +* [Misc] - #144 makes visualisation functions accessible in the `graphein.protein` namespace. #138 +* [Bugfix] - #147 fixes error in `add_distance_threshold` introduced in v1.2.1 that would prevent the edges being added to the graph. [#146](https://github.com/a-r-j/graphein/issues/146) +* [Bugfix] - #149 fixes a bug in `add_beta_carbon_vector` that would cause coordinates to be extracted for multiple positions if the residue has an altloc. Resolves [#148](https://github.com/a-r-j/graphein/issues/148) ### 1.2.1 - 16/3/22 -- [Feature] - #124 adds support for vector features associated protein protein geometry. #120 #122 -- [Feature] - #124 adds visualisation of vector features in 3D graph plots. -- [Feature] - #121 adds functions for saving graph data to PDB files. -- [Bugfix] - #136 changes generator comprehension when updating coordinates in subgraphs to list comprehension to allow pickling -- [Bugfix] - #136 fixes bug in edge construction functions using chain selections where nodes from unselected chains would be added to the graph. +* [Feature] - #124 adds support for vector features associated protein protein geometry. #120 #122 +* [Feature] - #124 adds visualisation of vector features in 3D graph plots. +* [Feature] - #121 adds functions for saving graph data to PDB files. +* [Bugfix] - #136 changes generator comprehension when updating coordinates in subgraphs to list comprehension to allow pickling +* [Bugfix] - #136 fixes bug in edge construction functions using chain selections where nodes from unselected chains would be added to the graph. #### Breaking Changes -- #124 refactors `graphein.protein.graphs.compute_rgroup_dataframe` and moves it to `graphein.protein.utils`. All internal references have been moved accordingly. +* #124 refactors `graphein.protein.graphs.compute_rgroup_dataframe` and moves it to `graphein.protein.utils`. All internal references have been moved accordingly. ### 1.2.0 - 4/3/2022 -- [Feature] - #104 adds support for asteroid plots and distance matrix visualisation. -- [Feature] - #104 adds support for protein graph analytics (`graphein.protein.analysis`) -- [Feature] - #110 adds support for secondary structure & surface-based subgraphs -- [Feature] - #113 adds CLI support(!) -- [Feature] - #116 adds support for onehot-encoded amino acid features as node attributes. -- [Feature] - #119 Adds plotly-based visualisation for PPI Graphs -- [Bugfix] - #110 fixes minor bug in `asa` where it would fail if added as a first/only dssp feature. -- [Bugfix] - #110 Adds install for DSSP in Dockerfile -- [Bugfix] - #110 Adds conda install & DSSP to tests -- [Bugfix] - #119 Delaunay Triangulation computed over all atoms by default. Adds an option to restrict it to certain atom types. -- [Bugfix] - #119 Minor fixes to stability of RNA Graph Plotting -- [Bugfix] - #119 add tolerance parameter to add_atomic_edges -- [Documentation] - #104 Adds notebooks for visualisation, RNA SS Graphs, protein graph analytics -- [Documentation] - #119 Overhaul of docs & tutorial notebooks. Adds interactive plots to docs, improves docstrings, doc formatting, doc requirements. +* [Feature] - #104 adds support for asteroid plots and distance matrix visualisation. +* [Feature] - #104 adds support for protein graph analytics (`graphein.protein.analysis`) +* [Feature] - #110 adds support for secondary structure & surface-based subgraphs +* [Feature] - #113 adds CLI support(!) +* [Feature] - #116 adds support for onehot-encoded amino acid features as node attributes. +* [Feature] - #119 Adds plotly-based visualisation for PPI Graphs +* [Bugfix] - #110 fixes minor bug in `asa` where it would fail if added as a first/only dssp feature. +* [Bugfix] - #110 Adds install for DSSP in Dockerfile +* [Bugfix] - #110 Adds conda install & DSSP to tests +* [Bugfix] - #119 Delaunay Triangulation computed over all atoms by default. Adds an option to restrict it to certain atom types. +* [Bugfix] - #119 Minor fixes to stability of RNA Graph Plotting +* [Bugfix] - #119 add tolerance parameter to add_atomic_edges +* [Documentation] - #104 Adds notebooks for visualisation, RNA SS Graphs, protein graph analytics +* [Documentation] - #119 Overhaul of docs & tutorial notebooks. Adds interactive plots to docs, improves docstrings, doc formatting, doc requirements. #### Breaking Changes -- #119 - Refactor RNA Graph constants from graphein.rna.graphs to graphein.rna.constants. Only problematic if constants were accessed directly. All internal references have been moved accordingly. +* #119 - Refactor RNA Graph constants from graphein.rna.graphs to graphein.rna.constants. Only problematic if constants were accessed directly. All internal references have been moved accordingly. ### 1.1.1 - 19/02/2022 -- [Bugfix] - #107 improves robustness of removing insertions and hetatms, resolves #98 -- [Packaging] - #108 fixes version mismatches in pytorch_geometric in docker install +* [Bugfix] - #107 improves robustness of removing insertions and hetatms, resolves #98 +* [Packaging] - #108 fixes version mismatches in pytorch_geometric in docker install ### 1.1.0 - 19/02/2022 -- [Packaging] - #100 adds docker support. -- [Feature] - #96 Adds support for extracting subgraphs -- [Packaging] - #101 adds support for devcontainers for remote development. -- [Bugfixes] - #95 adds improved robustness for edge construction functions in certain edge cases. Insertions in the PDB were occasionally not picked up due to a brittle implementations. Resolves #74 and #98 +* [Packaging] - #100 adds docker support. +* [Feature] - #96 Adds support for extracting subgraphs +* [Packaging] - #101 adds support for devcontainers for remote development. +* [Bugfixes] - #95 adds improved robustness for edge construction functions in certain edge cases. Insertions in the PDB were occasionally not picked up due to a brittle implementations. Resolves #74 and #98 ### 1.0.11 - 01/02/2022 -- [Improvement] - #79 Replaces `Literal` references with `typing_extensions.Literal` for Python 3.7 support. +* [Improvement] - #79 Replaces `Literal` references with `typing_extensions.Literal` for Python 3.7 support. #### 1.0.10 - 23/12/2021 -- [Bug] Adds a fix for #74. Adding a disulfide bond to a protein with no disulphide bonds would fail. This was fixed by adding a check for the presence of a minimum of two CYS residues. +* [Bug] Adds a fix for #74. Adding a disulfide bond to a protein with no disulphide bonds would fail. This was fixed by adding a check for the presence of a minimum of two CYS residues. diff --git a/Dockerfile b/Dockerfile index c0b29c115..ecbbcb68a 100644 --- a/Dockerfile +++ b/Dockerfile @@ -28,8 +28,10 @@ RUN echo "$(cat requirements/base.in)" >> requirements.txt \ && echo "$(cat requirements/dev.in)" >> requirements.txt \ && echo "$(cat requirements/extras.in)" >> requirements.txt +RUN pip install notebook==6.* RUN pip install -r requirements.txt --no-cache-dir +RUN conda install conda-forge::pluggy RUN conda install -c conda-forge libgcc-ng RUN conda install scipy scikit-learn matplotlib pandas cython ipykernel RUN pip install ticc==0.1.4 --no-cache-dir diff --git a/docs/source/conf.py b/docs/source/conf.py index 371f448d3..e367824bf 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -34,7 +34,7 @@ copyright = f"{datetime.datetime.now().year}, {author}" # The full version, including alpha/beta/rc tags -release = "1.7.6" +release = "1.7.7" # -- General configuration --------------------------------------------------- diff --git a/graphein/__init__.py b/graphein/__init__.py index 0d2a5da57..a3b19cf19 100644 --- a/graphein/__init__.py +++ b/graphein/__init__.py @@ -12,7 +12,7 @@ from .testing import * __author__ = "Arian Jamasb " -__version__ = "1.7.6" +__version__ = "1.7.7" logger.configure( @@ -21,6 +21,8 @@ ] ) +logger.disable("graphein") + def verbose(enabled: bool = False): """Enable/Disable logging. diff --git a/graphein/grn/parse_regnetwork.py b/graphein/grn/parse_regnetwork.py index 0d7e57877..545fea5f2 100644 --- a/graphein/grn/parse_regnetwork.py +++ b/graphein/grn/parse_regnetwork.py @@ -18,9 +18,12 @@ import wget from loguru import logger as log -from graphein.utils.utils import filter_dataframe, ping +from graphein.utils.utils import deprecated, filter_dataframe, ping +@deprecated( + "RegNetwork appears to be down. This warning will be removed in a future release if the service is restored." +) def _download_RegNetwork( root_dir: Optional[Path] = None, network_type: str = "human" ) -> str: @@ -86,6 +89,9 @@ def _download_RegNetwork( return file +@deprecated( + "RegNetwork appears to be down. This warning will be removed in a future release if the service is restored." +) def _download_RegNetwork_regtypes(root_dir: Optional[Path] = None) -> str: """ Downloads RegNetwork regulatory interactions types to the root directory. @@ -124,6 +130,9 @@ def _download_RegNetwork_regtypes(root_dir: Optional[Path] = None) -> str: return file +@deprecated( + "RegNetwork appears to be down. This warning will be removed in a future release if the service is restored." +) @functools.lru_cache() def load_RegNetwork_interactions( root_dir: Optional[Path] = None, @@ -144,6 +153,9 @@ def load_RegNetwork_interactions( ) +@deprecated( + "RegNetwork appears to be down. This warning will be removed in a future release if the service is restored." +) @functools.lru_cache() def load_RegNetwork_regulation_types( root_dir: Optional[Path] = None, @@ -168,6 +180,9 @@ def load_RegNetwork_regulation_types( ) +@deprecated( + "RegNetwork appears to be down. This warning will be removed in a future release if the service is restored." +) def parse_RegNetwork( gene_list: List[str], root_dir: Optional[Path] = None ) -> pd.DataFrame: @@ -244,6 +259,9 @@ def standardise_RegNetwork(df: pd.DataFrame) -> pd.DataFrame: return df +@deprecated( + "RegNetwork appears to be down. This warning will be removed in a future release if the service is restored." +) def RegNetwork_df( gene_list: List[str], root_dir: Optional[Path] = None, diff --git a/graphein/ml/clustering.py b/graphein/ml/clustering.py index b6d4a49bd..e0364e33b 100644 --- a/graphein/ml/clustering.py +++ b/graphein/ml/clustering.py @@ -85,7 +85,7 @@ def get_seq_records( "Alphabet given. Only checking for terminating *!\n" ) check_sequences = False - with open(filename, "rU") as handle: + with open(filename, "r") as handle: records = list(SeqIO.parse(handle, file_format, alphabet=alphabet)) del handle if check_sequences: diff --git a/graphein/ml/datasets/foldcomp_dataset.py b/graphein/ml/datasets/foldcomp_dataset.py index 3f4f2503d..bfed70e29 100644 --- a/graphein/ml/datasets/foldcomp_dataset.py +++ b/graphein/ml/datasets/foldcomp_dataset.py @@ -11,7 +11,16 @@ import random import shutil from pathlib import Path -from typing import Any, Callable, Dict, Iterable, List, Optional, Union +from typing import ( + Any, + Callable, + Dict, + Iterable, + List, + Literal, + Optional, + Union, +) import numpy as np import torch @@ -58,11 +67,13 @@ log.warning(message) FOLDCOMP_DATABASE_TYPES: List[str] = [ - "afdb_swissprot_v4", - "afdb_uniprot_v4", - "afdb_rep_dark_v4", - "highquality_clust30", - "afdb_rep_v4", + "afdb_swissprot_v4", # AlphaFoldDB Swiss-Prot + "afdb_uniprot_v4", # AlphaFoldDB Uniprot + "afdb_rep_v4", # AlphaFoldDB Cluster Representatives + "afdb_rep_dark_v4", # AlphaFoldDB Cluster Representatives (Dark Clusters) + "esmatlas", # ESMAtlas full (v0 + v2023_02) + "esmatlas_v2023_02", # ESMAtlas v2023_02 + "highquality_clust30", # ESMAtlas high-quality ] """ Currently supported FoldComp databases. See: @@ -129,7 +140,15 @@ class FoldCompDataset(Dataset): def __init__( self, root: str, - database: str, + database: Literal[ + "afdb_swissprot_v4", + "afdb_uniprot_v4", + "afdb_rep_v4", + "afdb_rep_dark_v4", + "esmatlas", + "esmatlas_v2023_02", + "highquality_clust30", + ], ids: Optional[List[str]] = None, exclude_ids: Optional[List[str]] = None, fraction: float = 1.0, @@ -142,7 +161,7 @@ def __init__( :type root: str :param database: Name of the database. See: :const:`FOLDCOMP_DATABASE_TYPES`. - :type database: str + :type database: Literal :param ids: List of protein IDs to include in the dataset. If ``None``, all proteins are included. Default is ``None``. :type ids: Optional[List[str]] @@ -217,10 +236,6 @@ def download(self): asyncio.run(_) os.chdir(curr_dir) log.info("Download complete.") - # log.info("Moving files to raw directory...") - - # for f in self._database_files: - # shutil.move(f, self.root) else: log.info(f"FoldComp database already downloaded: {self.root}.") @@ -411,9 +426,12 @@ def _compose_transforms(self, transforms: Iterable[Callable]) -> T.Compose: return T.Compose(transforms) def setup(self, stage: Optional[str] = None): - self.train_dataset() - self.val_dataset() - self.test_dataset() + if stage == "fit" or stage is None: + self.train_dataset() + elif stage == "validate": + self.val_dataset() + elif stage == "test": + self.test_dataset() def _get_indices(self): """Loads the whole database to extract the indices.""" diff --git a/graphein/ml/datasets/pdb_data.py b/graphein/ml/datasets/pdb_data.py index 8b521f23f..5843b51cf 100644 --- a/graphein/ml/datasets/pdb_data.py +++ b/graphein/ml/datasets/pdb_data.py @@ -6,7 +6,7 @@ from datetime import datetime from io import StringIO from pathlib import Path -from typing import Any, Callable, Dict, List, Optional, Union +from typing import Any, Callable, Dict, List, Literal, Optional, Union import numpy as np import pandas as pd @@ -36,13 +36,16 @@ def __init__( split_ratios: Optional[List[float]] = None, split_time_frames: Optional[List[np.datetime64]] = None, assign_leftover_rows_to_split_n: int = 0, + labels: Optional[ + List[Literal["uniprot_id", "cath_code", "ec_number"]] + ] = None, ): """Instantiate a selection of experimental PDB structures. :param root_dir: The directory in which to store all PDB entries, defaults to ``"."``. :type root_dir: str, optional - :param structure_format: Whether to use ``.pdb`` or ``.mmtf`` file. + :param structure_format: Whether to use ``.pdb``, ``.mmtf`` or ``mmcif`` file. Defaults to ``"pdb"``. :type structure_format: str, optional :param splits: A list of names corresponding to each dataset split, @@ -58,6 +61,9 @@ def __init__( to assign any rows remaining after creation of new dataset splits, defaults to ``0``. :type assign_leftover_rows_to_split_n: int, optional + :param labels: A list of names corresponding to metadata labels that should be included in PDB manager dataframe, + defaults to ``None``. + :type labels: Optional[List[Literal["uniprot_id", "cath_code", "ec_number"]]], optional """ # Arguments self.root_dir = Path(root_dir) @@ -83,6 +89,12 @@ def __init__( ) self.pdb_availability_url = "https://files.wwpdb.org/pub/pdb/compatible/pdb_bundle/pdb_bundle_index.txt" + self.pdb_chain_cath_uniprot_url = "https://ftp.ebi.ac.uk/pub/databases/msd/sifts/flatfiles/tsv/pdb_chain_cath_uniprot.tsv.gz" + + self.cath_id_cath_code_url = "http://download.cathdb.info/cath/releases/daily-release/newest/cath-b-newest-all.gz" + + self.pdb_chain_ec_number_url = "https://ftp.ebi.ac.uk/pub/databases/msd/sifts/flatfiles/tsv/pdb_chain_enzyme.tsv.gz" + self.pdb_dir = self.root_dir / "pdb" if not os.path.exists(self.pdb_dir): os.makedirs(self.pdb_dir) @@ -99,12 +111,19 @@ def __init__( self.pdb_deposition_date_url ).name self.pdb_availability_filename = Path(self.pdb_availability_url).name + self.pdb_chain_cath_uniprot_filename = Path( + self.pdb_chain_cath_uniprot_url + ).name + self.cath_id_cath_code_filename = Path(self.cath_id_cath_code_url).name + self.pdb_chain_ec_number_filename = Path( + self.pdb_chain_ec_number_url + ).name self.list_columns = ["ligands"] # Data self.download_metadata() - self.df = self.parse() + self.df = self.parse(labels) self.source = self.df.copy() # Splits @@ -146,6 +165,9 @@ def download_metadata(self): self._download_entry_metadata() self._download_exp_type() self._download_pdb_availability() + self._download_pdb_chain_cath_uniprot_map() + self._download_cath_id_cath_code_map() + self._download_pdb_chain_ec_number_map() def get_unavailable_pdb_files( self, splits: Optional[List[str]] = None @@ -341,7 +363,7 @@ def _download_pdb_sequences(self): ): log.info("Downloading PDB sequences...") wget.download(self.pdb_sequences_url, out=str(self.root_dir)) - log.info("Downloaded sequences") + log.debug("Downloaded sequences") # Unzip all collected sequences if not os.path.exists(self.root_dir / self.pdb_seqres_filename): @@ -353,7 +375,7 @@ def _download_pdb_sequences(self): self.root_dir / self.pdb_seqres_filename, "wb" ) as f_out: shutil.copyfileobj(f_in, f_out) - log.info("Unzipped sequences") + log.debug("Unzipped sequences") def _download_ligand_map(self): """Download ligand map from @@ -362,7 +384,7 @@ def _download_ligand_map(self): if not os.path.exists(self.root_dir / self.ligand_map_filename): log.info("Downloading ligand map...") wget.download(self.ligand_map_url, out=str(self.root_dir)) - log.info("Downloaded ligand map") + log.debug("Downloaded ligand map") def _download_source_map(self): """Download source map from @@ -371,7 +393,7 @@ def _download_source_map(self): if not os.path.exists(self.root_dir / self.source_map_filename): log.info("Downloading source map...") wget.download(self.source_map_url, out=str(self.root_dir)) - log.info("Downloaded source map") + log.debug("Downloaded source map") def _download_resolution(self): """Download source map from @@ -380,7 +402,7 @@ def _download_resolution(self): if not os.path.exists(self.root_dir / self.resolution_filename): log.info("Downloading resolution map...") wget.download(self.resolution_url, out=str(self.root_dir)) - log.info("Downloaded resolution map") + log.debug("Downloaded resolution map") def _download_entry_metadata(self): """Download PDB entry metadata from @@ -391,7 +413,7 @@ def _download_entry_metadata(self): ): log.info("Downloading entry metadata...") wget.download(self.pdb_deposition_date_url, out=str(self.root_dir)) - log.info("Downloaded entry metadata") + log.debug("Downloaded entry metadata") def _download_exp_type(self): """Download PDB experiment metadata from @@ -400,7 +422,7 @@ def _download_exp_type(self): if not os.path.exists(self.root_dir / self.pdb_entry_type_filename): log.info("Downloading experiment type map...") wget.download(self.pdb_entry_type_url, out=str(self.root_dir)) - log.info("Downloaded experiment type map") + log.debug("Downloaded experiment type map") def _download_pdb_availability(self): """Download PDB availability metadata from @@ -409,7 +431,40 @@ def _download_pdb_availability(self): if not os.path.exists(self.root_dir / self.pdb_availability_filename): log.info("Downloading PDB availability map...") wget.download(self.pdb_availability_url, out=str(self.root_dir)) - log.info("Downloaded PDB availability map") + log.debug("Downloaded PDB availability map") + + def _download_pdb_chain_cath_uniprot_map(self): + """Download mapping from PDB chain to uniprot accession and CATH ID from + https://ftp.ebi.ac.uk/pub/databases/msd/sifts/flatfiles/tsv/pdb_chain_cath_uniprot.tsv.gz + """ + if not os.path.exists( + self.root_dir / self.pdb_chain_cath_uniprot_filename + ): + log.info("Downloading Uniprot CATH map...") + wget.download( + self.pdb_chain_cath_uniprot_url, out=str(self.root_dir) + ) + log.debug("Downloaded Uniprot CATH map") + + def _download_cath_id_cath_code_map(self): + """Download mapping from CATH IDs to CATH code from + http://download.cathdb.info/cath/releases/daily-release/newest/cath-b-newest-all.gz + """ + if not os.path.exists(self.root_dir / self.cath_id_cath_code_filename): + log.info("Downloading CATH ID to CATH code map...") + wget.download(self.cath_id_cath_code_url, out=str(self.root_dir)) + log.debug("Downloaded CATH ID to CATH code map") + + def _download_pdb_chain_ec_number_map(self): + """Download mapping from PDB chains to EC number from + https://ftp.ebi.ac.uk/pub/databases/msd/sifts/flatfiles/tsv/pdb_chain_enzyme.tsv.gz + """ + if not os.path.exists( + self.root_dir / self.pdb_chain_ec_number_filename + ): + log.info("Downloading EC number map...") + wget.download(self.pdb_chain_ec_number_url, out=str(self.root_dir)) + log.debug("Downloaded EC number map") def _parse_ligand_map(self) -> Dict[str, List[str]]: """Parse the ligand maps for all PDB records. @@ -508,7 +563,7 @@ def _parse_entries(self) -> Dict[str, datetime]: df.dropna(subset=["id"], inplace=True) df.id = df.id.str.lower() - df.date = pd.to_datetime(df.date) + df.date = pd.to_datetime(df.date, format="%m/%d/%y") return pd.Series(df["date"].values, index=df["id"]).to_dict() def _parse_experiment_type(self) -> Dict[str, str]: @@ -536,9 +591,107 @@ def _parse_pdb_availability(self) -> Dict[str, bool]: ids = {id: False for id in ids} return ids - def parse(self) -> pd.DataFrame: + def _parse_uniprot_id(self) -> Dict[str, str]: + """Parse the uniprot ID for all PDB chains. + + :return: Dictionary of PDB chain ID with their + corresponding uniprot ID. + :rtype: Dict[str, str] + """ + uniprot_mapping = {} + with gzip.open( + self.root_dir / self.pdb_chain_cath_uniprot_filename, "rt" + ) as f: + for line in f: + try: + pdb, chain, uniprot_id, cath_id = line.strip().split("\t") + key = f"{pdb}_{chain}" + uniprot_mapping[key] = uniprot_id + except ValueError: + continue + return uniprot_mapping + + def _parse_cath_id(self) -> Dict[str, str]: + """Parse the CATH ID for all PDB chains. + + :return: Dictionary of PDB chain ID with their + corresponding CATH ID. + :rtype: Dict[str, str] + """ + cath_mapping = {} + with gzip.open( + self.root_dir / self.pdb_chain_cath_uniprot_filename, "rt" + ) as f: + next(f) # Skip header line + for line in f: + try: + pdb, chain, uniprot_id, cath_id = line.strip().split("\t") + key = f"{pdb}_{chain}" + cath_mapping[key] = cath_id + except ValueError: + continue + return cath_mapping + + def _parse_cath_code(self) -> Dict[str, str]: + """Parse the CATH code for all CATH IDs. + + :return: Dictionary of CATH ID with their + corresponding CATH code. + :rtype: Dict[str, str] + """ + cath_mapping = {} + with gzip.open( + self.root_dir / self.cath_id_cath_code_filename, "rt" + ) as f: + print(f) + for line in f: + print(line) + try: + cath_id, cath_version, cath_code, cath_segment = ( + line.strip().split() + ) + cath_mapping[cath_id] = cath_code + print(cath_id, cath_code) + except ValueError: + continue + return cath_mapping + + def _parse_ec_number(self) -> Dict[str, str]: + """Parse the CATH ID for all PDB chains and adds None when no EC number is present. + + :return: Dictionary of PDB chain ID with their + corresponding EC number. + :rtype: Dict[str, str] + """ + ec_mapping = {} + with gzip.open( + self.root_dir / self.pdb_chain_ec_number_filename, "rt" + ) as f: + next(f) # Skip header line + for line in f: + try: + pdb, chain, uniprot_id, ec_number = line.strip().split( + "\t" + ) + key = f"{pdb}_{chain}" + ec_number = None if ec_number == "?" else ec_number + ec_mapping[key] = ec_number + except ValueError: + continue + return ec_mapping + + def parse( + self, + labels: Optional[ + List[Literal["uniprot_id", "cath_code", "ec_number"]] + ] = None, + ) -> pd.DataFrame: """Parse all PDB sequence records. + :param labels: A list of names corresponding to metadata labels that should be included in PDB manager dataframe, + defaults to ``None``. + :type labels: Optional[List[str]], optional + :return: DataFrame containing PDB sequence entries with their corresponding metadata. :rtype: pd.DataFrame @@ -578,7 +731,15 @@ def parse(self) -> pd.DataFrame: df["deposition_date"] = df.pdb.map(self._parse_entries()) df["experiment_type"] = df.pdb.map(self._parse_experiment_type()) df["pdb_file_available"] = df.pdb.map(self._parse_pdb_availability()) - df.pdb_file_available.fillna(True, inplace=True) + df["pdb_file_available"] = df["pdb_file_available"].fillna(True) + if labels: + if "uniprot_id" in labels: + df["uniprot_id"] = df.id.map(self._parse_uniprot_id()) + if "cath_code" in labels: + df["cath_id"] = df.id.map(self._parse_cath_id()) + df["cath_code"] = df.cath_id.map(self._parse_cath_code()) + if "ec_number" in labels: + df["ec_number"] = df.id.map(self._parse_ec_number()) return df @@ -925,7 +1086,10 @@ def oligomeric( update: bool = False, ) -> pd.DataFrame: """Select molecules with a given oligmeric length. - I.e. ``df.n_chains ==/ oligomer`` + I.e. ``df.n_chains ==/ =< / >= oligomer`` + + N.b. the `comparison` arguments for `"greater"` and `"less"` are + `>=` and `=<` respectively. :param length: Oligomeric length of molecule, defaults to ``1``. :type length: int @@ -946,9 +1110,9 @@ def oligomeric( if comparison == "equal": df = splits_df.loc[splits_df.n_chains == oligomer] elif comparison == "less": - df = splits_df.loc[splits_df.n_chains < oligomer] + df = splits_df.loc[splits_df.n_chains <= oligomer] elif comparison == "greater": - df = splits_df.loc[splits_df.n_chains > oligomer] + df = splits_df.loc[splits_df.n_chains >= oligomer] else: raise ValueError( "Comparison must be one of 'equal', 'less', or 'greater'." @@ -1150,6 +1314,105 @@ def select_complexes_with_grouped_molecule_types( if update: self.df = df + def has_uniprot_id( + self, + select_ids: Optional[List[str]] = None, + splits: Optional[List[str]] = None, + update: bool = False, + ) -> pd.DataFrame: + """ + Select entries that have a uniprot ID. + + :param select_ids: If present, filter for only these IDs. If not present, filter for entries + that have any uniprot ID. + defaults to ``None``. + :type select_ids: Optional[List[str]], optional + :param splits: Names of splits for which to perform the operation, + defaults to ``None``. + :type splits: Optional[List[str]], optional + :param update: Whether to modify the DataFrame in place, defaults to + ``False``. + :type update: bool, optional + + :return: DataFrame of selected molecules. + :rtype: pd.DataFrame + """ + splits_df = self.get_splits(splits) + df = splits_df.dropna(subset=["uniprot_id"]) + + if select_ids: + df = df[df["uniprot_id"].isin(select_ids)] + + if update: + self.df = df + return df + + def has_cath_code( + self, + select_ids: Optional[List[str]] = None, + splits: Optional[List[str]] = None, + update: bool = False, + ) -> pd.DataFrame: + """ + Select entries that have a cath code. + + :param select_ids: If present, filter for only these CATH codes. If not present, filter for entries + that have any cath code. + defaults to ``None``. + :type select_ids: Optional[List[str]], optional + :param splits: Names of splits for which to perform the operation, + defaults to ``None``. + :type splits: Optional[List[str]], optional + :param update: Whether to modify the DataFrame in place, defaults to + ``False``. + :type update: bool, optional + + :return: DataFrame of selected molecules. + :rtype: pd.DataFrame + """ + splits_df = self.get_splits(splits) + df = splits_df.dropna(subset=["cath_code"]) + + if select_ids: + df = df[df["cath_code"].isin(select_ids)] + + if update: + self.df = df + return df + + def has_ec_number( + self, + select_ids: Optional[List[str]] = None, + splits: Optional[List[str]] = None, + update: bool = False, + ) -> pd.DataFrame: + """ + Select entries that have an EC number. + + :param select_ids: If present, filter for only these ec_numbers. If not present, filter for entries + that have any EC number + defaults to ``None``. + :type select_ids: Optional[List[str]], optional + :param splits: Names of splits for which to perform the operation, + defaults to ``None``. + :type splits: Optional[List[str]], optional + :param update: Whether to modify the DataFrame in place, defaults to + ``False``. + :type update: bool, optional + + :return: DataFrame of selected molecules. + :rtype: pd.DataFrame + """ + splits_df = self.get_splits(splits) + df = splits_df.dropna(subset=["ec_number"]) + + if select_ids: + df = df[df["ec_number"].isin(select_ids)] + + if update: + self.df = df + return df + def split_df_proportionally( self, df: pd.DataFrame, @@ -1300,7 +1563,7 @@ def split_clusters( self.split_ratios, self.assign_leftover_rows_to_split_n, ) - log.info("Done splitting clusters") + log.debug("Done splitting clusters") # Update splits for split in self.splits: @@ -1396,9 +1659,7 @@ def cluster( ) # Read FASTA - df = self.from_fasta( - ids="chain", filename=str(self.root_dir / cluster_fname) - ) + df = self.from_fasta(ids="chain", filename=str(cluster_fname)) if update: self.df = df @@ -1563,8 +1824,8 @@ def reset(self) -> pd.DataFrame: def download_pdbs( self, - out_dir=".", - format="pdb", + out_dir: str = ".", + format: str = "pdb", splits: Optional[List[str]] = None, overwrite: bool = False, max_workers: int = 8, @@ -1574,7 +1835,7 @@ def download_pdbs( :param out_dir: Output directory, defaults to ``"."`` :type out_dir: str, optional - :param format: Filetype to download. ``pdb`` or ``mmtf``. + :param format: Filetype to download. ``pdb``, ``mmtf``, ``mmcif`` or ``bcif``. :type format: str :param splits: Names of splits for which to perform the operation, defaults to ``None``. diff --git a/graphein/molecule/atoms.py b/graphein/molecule/atoms.py index 47202d533..39d45b70d 100644 --- a/graphein/molecule/atoms.py +++ b/graphein/molecule/atoms.py @@ -15,16 +15,17 @@ from typing import Dict, List +from loguru import logger + from graphein.utils.dependencies import import_message try: import rdkit.Chem as Chem -except ImportError: - import_message( - "graphein.molecule.atoms", "rdkit", "rdkit", True, extras=True +except (ImportError, ModuleNotFoundError): + logger.warning( + import_message(__name__, "rdkit", "rdkit", True, extras=True) ) - BASE_ATOMS: List[str] = [ "C", "H", diff --git a/graphein/molecule/chembl.py b/graphein/molecule/chembl.py index c5efb0cfa..aa681040c 100644 --- a/graphein/molecule/chembl.py +++ b/graphein/molecule/chembl.py @@ -12,7 +12,10 @@ # Code Repository: https://github.com/a-r-j/graphein from bioservices import ChEMBL +from graphein.utils.dependencies import requires_python_libs + +@requires_python_libs("bioservices") def get_smiles_from_chembl(chembl_id: str) -> str: """Retrieves a SMILE string from a ChEMBL ID. @@ -27,6 +30,7 @@ def get_smiles_from_chembl(chembl_id: str) -> str: return data["molecule_structures"]["canonical_smiles"] +@requires_python_libs("bioservices") def get_chembl_id_from_smiles(smiles: str) -> str: """Retrieves a ChEMBL ID from a SMILE string. diff --git a/graphein/molecule/graphs.py b/graphein/molecule/graphs.py index 7f61e2f78..5c41edbd0 100644 --- a/graphein/molecule/graphs.py +++ b/graphein/molecule/graphs.py @@ -17,7 +17,7 @@ from loguru import logger as log from tqdm.contrib.concurrent import process_map, thread_map -from graphein.utils.dependencies import import_message +from graphein.utils.dependencies import import_message, requires_python_libs from graphein.utils.utils import ( annotate_edge_metadata, annotate_graph_metadata, @@ -36,9 +36,11 @@ from rdkit import Chem from rdkit.Chem import AllChem except ImportError: - import_message("graphein.molecule.graphs", "rdkit", "rdkit", True) + msg = import_message("graphein.molecule.graphs", "rdkit", "rdkit", True) + log.warning(msg) +@requires_python_libs("rdkit") def initialise_graph_with_metadata( name: str, rdmol: rdkit.Mol, @@ -60,6 +62,7 @@ def initialise_graph_with_metadata( ) +@requires_python_libs("rdkit") def add_nodes_to_graph( G: nx.Graph, verbose: bool = False, @@ -92,6 +95,7 @@ def add_nodes_to_graph( return G +@requires_python_libs("rdkit") def generate_3d( mol: Union[nx.Graph, Chem.Mol], recompute_graph: bool = False ) -> Union[nx.Graph, rdkit.Chem.rdchem.Mol]: @@ -130,6 +134,7 @@ def generate_3d( return rdmol +@requires_python_libs("rdkit") def construct_graph( config: Optional[MoleculeGraphConfig] = None, mol: Optional[rdkit.Mol] = None, diff --git a/graphein/molecule/utils.py b/graphein/molecule/utils.py index dfb38e2d4..4be3ed9e0 100644 --- a/graphein/molecule/utils.py +++ b/graphein/molecule/utils.py @@ -22,7 +22,7 @@ from scipy.sparse import csr_matrix from scipy.sparse.csgraph import minimum_spanning_tree -from graphein.utils.dependencies import import_message +from graphein.utils.dependencies import import_message, requires_python_libs try: import rdkit @@ -55,6 +55,7 @@ MAX_NCAND: int = 2000 +@requires_python_libs("rdkit") def get_center( mol: Union[nx.Graph, Chem.Mol], weights: Optional[np.ndarray] = None ) -> np.ndarray: @@ -76,6 +77,7 @@ def get_center( return np.array(ComputeCentroid(mol.GetConformer(0), weights=weights)) +@requires_python_libs("rdkit") def get_shape_moments(mol: Union[nx.Graph, Chem.Mol]) -> Tuple[float, float]: """Calculate principal moments of inertia as defined in https://pubs.acs.org/doi/10.1021/ci025599w @@ -94,6 +96,7 @@ def get_shape_moments(mol: Union[nx.Graph, Chem.Mol]) -> Tuple[float, float]: return npr1, npr2 +@requires_python_libs("rdkit") def count_fragments(mol: Union[nx.Graph, Chem.Mol]) -> int: """Counts the number of the disconnected fragments in a molecule. @@ -107,6 +110,7 @@ def count_fragments(mol: Union[nx.Graph, Chem.Mol]) -> int: return len(Chem.GetMolFrags(mol, asMols=True)) +@requires_python_libs("rdkit") def get_max_ring_size(mol: Union[nx.Graph, Chem.Mol]) -> int: """ Get the size of the largest ring in a molecule. @@ -124,6 +128,7 @@ def get_max_ring_size(mol: Union[nx.Graph, Chem.Mol]) -> int: return 0 if len(atom_rings) == 0 else max(len(x) for x in ri.AtomRings()) +@requires_python_libs("rdkit") def label_rdmol_atoms( mol: Union[nx.Graph, Chem.Mol], labels: List[Any] ) -> Union[nx.Graph, Chem.Mol]: @@ -146,6 +151,7 @@ def label_rdmol_atoms( return mol +@requires_python_libs("rdkit") def tag_rdmol_atoms( mol, atoms_to_tag, tag: str = "x" ) -> Union[nx.Graph, Chem.Mol]: @@ -156,6 +162,7 @@ def tag_rdmol_atoms( return mol +@requires_python_libs("rdkit") def get_mol(smiles: str) -> rdkit.Chem.rdchem.Mol: """ Function for getting rdmol from smiles. Applies kekulization. @@ -172,6 +179,7 @@ def get_mol(smiles: str) -> rdkit.Chem.rdchem.Mol: return mol +@requires_python_libs("rdkit") def get_smiles(mol: Union[nx.Graph, rdkit.Chem.rdchem.Mol]) -> str: """ Function for getting smiles from rdmol. Applies kekulization. @@ -186,6 +194,7 @@ def get_smiles(mol: Union[nx.Graph, rdkit.Chem.rdchem.Mol]) -> str: return Chem.MolToSmiles(mol, kekuleSmiles=True) +@requires_python_libs("rdkit") def sanitize(mol: rdkit.Chem.rdchem.Mol) -> rdkit.Chem.rdchem.Mol: """ Function for sanitizing a rdmol @@ -203,6 +212,7 @@ def sanitize(mol: rdkit.Chem.rdchem.Mol) -> rdkit.Chem.rdchem.Mol: return mol +@requires_python_libs("rdkit") def copy_edit_mol(mol: rdkit.Chem.rdchem.Mol) -> rdkit.Chem.rdchem.Mol: """ Function for copying a rdmol @@ -224,6 +234,7 @@ def copy_edit_mol(mol: rdkit.Chem.rdchem.Mol) -> rdkit.Chem.rdchem.Mol: return new_mol +@requires_python_libs("rdkit") def get_clique_mol(mol: rdkit.Chem.rdchem.Atom, atoms: List[int]): """ Function for getting clique rdmol @@ -242,6 +253,7 @@ def get_clique_mol(mol: rdkit.Chem.rdchem.Atom, atoms: List[int]): return new_mol +@requires_python_libs("rdkit") def copy_rdmol_atom(atom: rdkit.Chem.rdchem.Atom) -> rdkit.Chem.rdchem.Atom: """ Function for copying an atom @@ -257,6 +269,7 @@ def copy_rdmol_atom(atom: rdkit.Chem.rdchem.Atom) -> rdkit.Chem.rdchem.Atom: return new_atom +@requires_python_libs("rdkit") def get_morgan_fp( mol: Union[nx.Graph, rdkit.Chem.rdchem.Mol], radius: int = 2, @@ -281,6 +294,7 @@ def get_morgan_fp( ) +@requires_python_libs("rdkit") def get_morgan_fp_np( mol: Union[nx.Graph, rdkit.Chem.rdchem.Mol], radius: int = 2, @@ -307,18 +321,21 @@ def get_morgan_fp_np( return arr +@requires_python_libs("rdkit") def compute_fragments(mol: Union[nx.Graph, Chem.Mol]) -> List[Chem.Mol]: if isinstance(mol, nx.Graph): mol = mol.graph["rdmol"] return list(Chem.GetMolFrags(mol, asMols=True)) +@requires_python_libs("rdkit") def get_mol_weight(mol: Union[nx.Graph, Chem.Mol]) -> float: if isinstance(mol, nx.Graph): mol = mol.graph["rdmol"] return mol # TDOO +@requires_python_libs("rdkit") def get_qed_score( mol: Union[nx.Graph, rdkit.Chem.rdchem.Mol] ) -> Union[float, None]: @@ -364,6 +381,7 @@ def simplify_smile(smile: str) -> str: return "".join(stripped_smile) +@requires_python_libs("selfies") def smile_to_selfies(smile: str) -> str: """Encodes a SMILES string into a Selfies string. @@ -375,6 +393,7 @@ def smile_to_selfies(smile: str) -> str: return sf.encoder(smile) +@requires_python_libs("selfies") def selfies_to_smile(selfie: str) -> str: """Decodes a selfies string into a SMILES string. @@ -386,6 +405,7 @@ def selfies_to_smile(selfie: str) -> str: return sf.decoder(selfie) +@requires_python_libs("rdkit") def tree_decomp(mol: rdkit.Chem.rdchem.Mol) -> Tuple[List]: """ Function for decomposing rdmol to a tree diff --git a/graphein/protein/edges/distance.py b/graphein/protein/edges/distance.py index e22df57d6..8b22c2159 100644 --- a/graphein/protein/edges/distance.py +++ b/graphein/protein/edges/distance.py @@ -1210,7 +1210,7 @@ def get_ring_centroids(ring_atom_df: pd.DataFrame) -> pd.DataFrame: """ return ( ring_atom_df.groupby("node_id") - .mean()[["x_coord", "y_coord", "z_coord"]] + .mean(numeric_only=True)[["x_coord", "y_coord", "z_coord"]] .reset_index() ) diff --git a/graphein/protein/features/nodes/dssp.py b/graphein/protein/features/nodes/dssp.py index b73f26c9f..d6cb088ac 100644 --- a/graphein/protein/features/nodes/dssp.py +++ b/graphein/protein/features/nodes/dssp.py @@ -8,16 +8,18 @@ from __future__ import annotations import os +import re import tempfile from typing import Any, Dict, Optional import networkx as nx import pandas as pd from Bio.PDB.DSSP import dssp_dict_from_pdb_file, residue_max_acc +from loguru import logger from graphein.protein.resi_atoms import STANDARD_AMINO_ACID_MAPPING_1_TO_3 from graphein.protein.utils import save_pdb_df_to_pdb -from graphein.utils.dependencies import is_tool +from graphein.utils.dependencies import is_tool, requires_external_dependencies DSSP_COLS = [ "chain", @@ -69,6 +71,7 @@ def parse_dssp_df(dssp: Dict[str, Any]) -> pd.DataFrame: return pd.DataFrame.from_records(appender, columns=DSSP_COLS) +@requires_external_dependencies("mkdssp") def add_dssp_df( G: nx.Graph, dssp_config: Optional[DSSPConfig], @@ -78,12 +81,13 @@ def add_dssp_df( :param G: Input protein graph :param G: nx.Graph - :param dssp_config: DSSPConfig object. Specifies which executable to run. Located in graphein.protein.config + :param dssp_config: DSSPConfig object. Specifies which executable to run. + Located in `:obj:graphein.protein.config`. :type dssp_config: DSSPConfig, optional :return: Protein graph with DSSP dataframe added :rtype: nx.Graph """ - + # if dssp_config is None: config = G.graph["config"] pdb_code = G.graph["pdb_code"] path = G.graph["path"] @@ -106,35 +110,64 @@ def add_dssp_df( if os.path.isfile(config.pdb_dir / (pdb_code + ".pdb")): pdb_file = config.pdb_dir / (pdb_code + ".pdb") + # get dssp version string + dssp_version = re.search( + r"version ([\d\.]+)", os.popen(f"{executable} --version").read() + ).group( + 1 + ) # e.g. "4.0.4" # Check for existence of pdb file. If not, reconstructs it from the raw df. if pdb_file: - dssp_dict = dssp_dict_from_pdb_file(pdb_file, DSSP=executable) + dssp_dict = dssp_dict_from_pdb_file( + pdb_file, DSSP=executable, dssp_version=dssp_version + ) else: with tempfile.TemporaryDirectory() as tmpdirname: save_pdb_df_to_pdb( G.graph["raw_pdb_df"], tmpdirname + f"/{pdb_name}.pdb" ) dssp_dict = dssp_dict_from_pdb_file( - tmpdirname + f"/{pdb_name}.pdb", DSSP=executable + tmpdirname + f"/{pdb_name}.pdb", + DSSP=executable, + dssp_version=dssp_version, ) + if len(dssp_dict[0]) == 0: + raise ValueError( + "DSSP could not be calculated. Check DSSP version " + f"({dssp_version}) orthat the input PDB file is valid." + ) + if config.verbose: - print(f"Using DSSP executable '{executable}'") + logger.debug(f"Using DSSP executable '{executable}'") dssp_dict = parse_dssp_df(dssp_dict) # Convert 1 letter aa code to 3 letter dssp_dict["aa"] = dssp_dict["aa"].map(STANDARD_AMINO_ACID_MAPPING_1_TO_3) # Resolve UNKs - dssp_dict.loc[dssp_dict["aa"] == "UNK", "aa"] = ( - G.graph["pdb_df"] - .loc[ - G.graph["pdb_df"].residue_number.isin( - dssp_dict.loc[dssp_dict["aa"] == "UNK"]["resnum"] - ) - ]["residue_name"] - .values - ) + # NOTE: the original didn't work if HETATM residues exist in DSSP output + _raw_pdb_df = G.graph["raw_pdb_df"].copy().drop_duplicates("node_id") + _dssp_df_unk = dssp_dict.loc[dssp_dict["aa"] == "UNK"][ + ["chain", "resnum", "icode"] + ] + for chain, resnum, icode in _dssp_df_unk.values: + dssp_dict.loc[ + (dssp_dict["chain"] == chain) + & (dssp_dict["resnum"] == resnum) # e.g. 'H' + & (dssp_dict["icode"] == icode), # e.g. 100 # e.g. 'E' or ' ' + "aa", + ] = _raw_pdb_df.loc[ + (_raw_pdb_df["chain_id"] == chain) + & (_raw_pdb_df["residue_number"] == resnum) + & ( + _raw_pdb_df["insertion"] == icode.strip() + ) # why strip?: dssp icode is a space, raw_pdb_df is empty string + ][ + "residue_name" + ].values[ + 0 + ] # Construct node IDs dssp_dict["node_id"] = ( @@ -144,11 +177,19 @@ def add_dssp_df( + ":" + dssp_dict["resnum"].astype(str) ) + if G.graph["config"].insertions: + dssp_dict["node_id"] = ( + dssp_dict["node_id"] + ":" + dssp_dict["icode"].apply(str) + ) + # Replace trailing : for non insertions + dssp_dict["node_id"] = dssp_dict["node_id"].str.replace( + r":\s*$", "", regex=True + ) dssp_dict.set_index("node_id", inplace=True) if config.verbose: - print(dssp_dict) + logger.debug(dssp_dict) # Assign DSSP Dict G.graph["dssp_df"] = dssp_dict @@ -212,7 +253,7 @@ def add_dssp_feature(G: nx.Graph, feature: str) -> nx.Graph: nx.set_node_attributes(G, dict(dssp_df[feature]), feature) if config.verbose: - print("Added " + feature + " features to graph nodes") + logger.debug("Added " + feature + " features to graph nodes") return G diff --git a/graphein/protein/features/nodes/geometry.py b/graphein/protein/features/nodes/geometry.py index 2e7b04f10..d2a999755 100644 --- a/graphein/protein/features/nodes/geometry.py +++ b/graphein/protein/features/nodes/geometry.py @@ -47,7 +47,9 @@ def add_sidechain_vector( if "rgroup_df" not in g.graph.keys(): g.graph["rgroup_df"] = compute_rgroup_dataframe(g.graph["raw_pdb_df"]) - sc_centroid = g.graph["rgroup_df"].groupby("node_id").mean() + sc_centroid = ( + g.graph["rgroup_df"].groupby("node_id").mean(numeric_only=True) + ) # Iterate over nodes and compute vector for n, d in g.nodes(data=True): diff --git a/graphein/protein/features/sequence/embeddings.py b/graphein/protein/features/sequence/embeddings.py index 914bcf850..31f6d5f87 100644 --- a/graphein/protein/features/sequence/embeddings.py +++ b/graphein/protein/features/sequence/embeddings.py @@ -31,7 +31,7 @@ pip_install=True, conda_channel="pytorch", ) - log.warning(message) + log.debug(message) try: import biovec @@ -42,7 +42,7 @@ pip_install=True, extras=True, ) - log.warning(message) + log.debug(message) @lru_cache() diff --git a/graphein/protein/graphs.py b/graphein/protein/graphs.py index 10c3a5b07..ab549b76c 100644 --- a/graphein/protein/graphs.py +++ b/graphein/protein/graphs.py @@ -15,9 +15,11 @@ from pathlib import Path from typing import Any, Callable, Dict, List, Optional, Tuple, Union +import cpdb import networkx as nx import numpy as np import pandas as pd +from biopandas.mmcif import PandasMmcif from biopandas.mmtf import PandasMmtf from biopandas.pdb import PandasPdb from loguru import logger as log @@ -108,25 +110,41 @@ def read_pdb_to_dataframe( or path.endswith(".pdb.gz") or path.endswith(".ent") ): - atomic_df = PandasPdb().read_pdb(path) + atomic_df = cpdb.parse(path) elif path.endswith(".mmtf") or path.endswith(".mmtf.gz"): atomic_df = PandasMmtf().read_mmtf(path) + atomic_df = atomic_df.get_model(model_index) + atomic_df = pd.concat( + [atomic_df.df["ATOM"], atomic_df.df["HETATM"]] + ) + elif ( + path.endswith(".cif") + or path.endswith(".cif.gz") + or path.endswith(".mmcif") + or path.endswith(".mmcif.gz") + ): + atomic_df = PandasMmcif().read_mmcif(path) + atomic_df = atomic_df.get_model(model_index) + atomic_df = atomic_df.convert_to_pandas_pdb() + atomic_df = pd.concat( + [atomic_df.df["ATOM"], atomic_df.df["HETATM"]] + ) else: raise ValueError( - f"File {path} must be either .pdb(.gz), .mmtf(.gz) or .ent, not {path.split('.')[-1]}" + f"File {path} must be either .pdb(.gz), .mmtf(.gz), .(mm)cif(.gz) or .ent, not {path.split('.')[-1]}" ) elif uniprot_id is not None: - atomic_df = PandasPdb().fetch_pdb( - uniprot_id=uniprot_id, source="alphafold2-v3" - ) + atomic_df = cpdb.parse(uniprot_id=uniprot_id) else: - atomic_df = PandasPdb().fetch_pdb(pdb_code) + atomic_df = cpdb.parse(pdb_code=pdb_code) + + if "model_idx" in atomic_df.columns: + atomic_df = atomic_df.loc[atomic_df["model_idx"] == model_index] - atomic_df = atomic_df.get_model(model_index) - if len(atomic_df.df["ATOM"]) == 0: + if len(atomic_df) == 0: raise ValueError(f"No model found for index: {model_index}") - return pd.concat([atomic_df.df["ATOM"], atomic_df.df["HETATM"]]) + return atomic_df def label_node_id( @@ -277,7 +295,7 @@ def remove_alt_locs( # Unsort if keep in ["max_occupancy", "min_occupancy"]: df = df.sort_index() - + df = df.reset_index(drop=True) return df @@ -645,7 +663,7 @@ def calculate_centroid_positions( atoms.groupby( ["residue_number", "chain_id", "residue_name", "insertion"] ) - .mean()[["x_coord", "y_coord", "z_coord"]] + .mean(numeric_only=True)[["x_coord", "y_coord", "z_coord"]] .reset_index() ) if verbose: @@ -1130,7 +1148,7 @@ def number_groups_of_runs(list_of_values: List[Any]) -> List[str]: """ df = pd.DataFrame({"val": list_of_values}) df["idx"] = df["val"].shift() != df["val"] - df["sum"] = df.groupby("val")["idx"].cumsum() + df["sum"] = df.groupby("val")["idx"].cumsum(numeric_only=True) return list(df["val"].astype(str) + df["sum"].astype(str)) diff --git a/graphein/protein/meshes.py b/graphein/protein/meshes.py index a37d2b0f5..18360e06f 100644 --- a/graphein/protein/meshes.py +++ b/graphein/protein/meshes.py @@ -15,7 +15,11 @@ from loguru import logger as log from graphein.protein.config import ProteinMeshConfig -from graphein.utils.dependencies import import_message +from graphein.utils.dependencies import ( + import_message, + requires_external_dependencies, + requires_python_libs, +) from graphein.utils.pymol import MolViewer try: @@ -27,7 +31,7 @@ conda_channel="pytorch3d", pip_install=True, ) - log.warning(message) + log.debug(message) def check_for_pymol_installation(): @@ -61,6 +65,7 @@ def configure_pymol_session( pymol.start([config.pymol_command_line_options]) +@requires_external_dependencies("pymol") def get_obj_file( pdb_file: Optional[str] = None, pdb_code: Optional[str] = None, @@ -84,8 +89,6 @@ def get_obj_file( """ pymol = MolViewer() - check_for_pymol_installation() - # Check inputs if not pdb_code and not pdb_file: raise ValueError("Please pass either a pdb_file or pdb_code argument") @@ -136,6 +139,7 @@ def parse_pymol_commands(config: ProteinMeshConfig) -> List[str]: return config.pymol_commands +@requires_external_dependencies("pymol") def run_pymol_commands(commands: List[str]) -> None: """ Runs Pymol Commands. @@ -150,6 +154,7 @@ def run_pymol_commands(commands: List[str]) -> None: pymol.do(c) +@requires_python_libs("pytorch3d") def create_mesh( pdb_file: Optional[str] = None, pdb_code: Optional[str] = None, @@ -186,6 +191,7 @@ def create_mesh( return verts, faces, aux +@requires_python_libs("torch") def normalize_and_center_mesh_vertices( verts: torch.FloatTensor, ) -> torch.FloatTensor: @@ -207,6 +213,7 @@ def normalize_and_center_mesh_vertices( return verts +@requires_python_libs("torch", "pytorch3d") def convert_verts_and_face_to_mesh( verts: torch.FloatTensor, faces: NamedTuple ) -> Meshes: diff --git a/graphein/protein/resi_atoms.py b/graphein/protein/resi_atoms.py index b239a3896..ca7b5557f 100644 --- a/graphein/protein/resi_atoms.py +++ b/graphein/protein/resi_atoms.py @@ -464,6 +464,7 @@ "ABA", "ACE", "AIB", + "AYA", "BMT", "BOC", "CBX", @@ -536,6 +537,7 @@ "ABA", "ACE", "AIB", + "AYA", "ALA", "ARG", "ASN", @@ -640,6 +642,7 @@ "ASN": "N", "ASP": "D", "ASX": "B", + "AYA": "A", "BMT": "T", "BOC": "X", "CBX": "X", @@ -796,6 +799,7 @@ "ABA": "ALA", "ACE": "-", "AIB": "ALA", + "AYA": "ALA", "BMT": "THR", "BOC": "-", "CBX": "-", diff --git a/graphein/protein/tensor/io.py b/graphein/protein/tensor/io.py index eeaa93e45..aa5a26fdb 100644 --- a/graphein/protein/tensor/io.py +++ b/graphein/protein/tensor/io.py @@ -6,6 +6,7 @@ # Project Website: https://github.com/a-r-j/graphein # Code Repository: https://github.com/a-r-j/graphein +import collections import os from typing import List, Optional, Union @@ -108,6 +109,8 @@ def protein_to_pyg( atom_types: List[str] = PROTEIN_ATOMS, remove_nonstandard: bool = True, store_het: bool = False, + store_bfactor: bool = False, + fill_value_coords: float = 1e-5, ) -> Data: """ Parses a protein (from either: a PDB code, PDB file or a UniProt ID @@ -158,6 +161,12 @@ def protein_to_pyg( :param store_het: Whether or not to store heteroatoms in the ``Data`` object. Default is ``False``. :type store_het: bool + :param store_bfactor: Whether or not to store bfactors in the ``Data`` + object. Default is ``False. + :type store_bfactor: bool + :param fill_value_coords: Fill value to use for positions in atom37 + representation that are not filled. Defaults to 1e-5 + :type fill_value_coords: float :returns: ``Data`` object with attributes: ``x`` (AtomTensor), ``residues`` (list of 3-letter residue codes), id (ID of protein), residue_id (E.g. ``"A:SER:1"``), residue_type (torch.Tensor), ``chains`` (torch.Tensor). @@ -210,13 +219,24 @@ def protein_to_pyg( if store_het: hetatms = df.loc[df.record_name == "HETATM"] all_hets = list(set(hetatms.residue_name)) - het_coords = {} + het_data = collections.defaultdict(dict) for het in all_hets: - het_coords[het] = torch.tensor( + het_data[het]["coords"] = torch.tensor( hetatms.loc[hetatms.residue_name == het][ ["x_coord", "y_coord", "z_coord"] ].values ) + het_data[het]["atoms"] = hetatms.loc[hetatms.residue_name == het][ + "atom_name" + ].values + het_data[het]["residue_number"] = torch.tensor( + hetatms.loc[hetatms.residue_name == het][ + "residue_number" + ].values + ) + het_data[het]["element_symbol"] = hetatms.loc[ + hetatms.residue_name == het + ]["element_symbol"].values df = df.loc[df.record_name == "ATOM"] if remove_nonstandard: @@ -237,7 +257,11 @@ def protein_to_pyg( df["residue_id"] = df.residue_id + ":" + df.insertion out = Data( - coords=protein_df_to_tensor(df, atoms_to_keep=atom_types), + coords=protein_df_to_tensor( + df, + atoms_to_keep=atom_types, + fill_value=fill_value_coords, + ), residues=get_sequence( df, chains=chain_selection, @@ -249,8 +273,17 @@ def protein_to_pyg( residue_type=residue_type_tensor(df), chains=protein_df_to_chain_tensor(df), ) + if store_het: - out.hetatms = [het_coords] + out.hetatms = [het_data] + + if store_bfactor: + # group by residue_id and average b_factor per residue + residue_bfactors = df.groupby("residue_id")["b_factor"].mean( + numeric_only=True + ) + out.bfactor = torch.from_numpy(residue_bfactors.values) + return out @@ -333,7 +366,9 @@ def protein_df_to_tensor( """ num_residues = get_protein_length(df, insertions=insertions) df = df.loc[df["atom_name"].isin(atoms_to_keep)] - residue_indices = pd.factorize(get_residue_id(df, unique=False))[0] + residue_indices = pd.factorize( + pd.Series(get_residue_id(df, unique=False)) + )[0] atom_indices = df["atom_name"].map(lambda x: atoms_to_keep.index(x)).values positions: AtomTensor = ( @@ -342,6 +377,7 @@ def protein_df_to_tensor( positions[residue_indices, atom_indices] = torch.tensor( df[["x_coord", "y_coord", "z_coord"]].values ).float() + return positions diff --git a/graphein/protein/tensor/representation.py b/graphein/protein/tensor/representation.py index 5bbf1426c..59b4e8737 100644 --- a/graphein/protein/tensor/representation.py +++ b/graphein/protein/tensor/representation.py @@ -24,7 +24,7 @@ conda_channel="pytorch", pip_install=True, ) - log.warning(message) + log.debug(message) def get_full_atom_coords( diff --git a/graphein/protein/tensor/sequence.py b/graphein/protein/tensor/sequence.py index 5f53c0e7a..8231a04e1 100644 --- a/graphein/protein/tensor/sequence.py +++ b/graphein/protein/tensor/sequence.py @@ -31,7 +31,7 @@ conda_channel="pytorch", pip_install=True, ) - log.warning(message) + log.debug(message) def get_sequence( diff --git a/graphein/protein/utils.py b/graphein/protein/utils.py index a27fdf051..380a99ecd 100644 --- a/graphein/protein/utils.py +++ b/graphein/protein/utils.py @@ -9,21 +9,47 @@ import os import tempfile from functools import lru_cache, partial +from multiprocessing import Pool from pathlib import Path -from typing import Any, Dict, List, Optional, Tuple, Type, Union +from typing import Any, Dict, List, Literal, Optional, Tuple, Type, Union from urllib.error import HTTPError from urllib.request import urlopen import networkx as nx +import numpy as np import pandas as pd import requests import wget from biopandas.pdb import PandasPdb from loguru import logger as log -from tqdm.contrib.concurrent import process_map +from tqdm import tqdm from .resi_atoms import BACKBONE_ATOMS, RESI_THREE_TO_1 +pdb_df_columns = [ + "record_name", + "atom_number", + "blank_1", + "atom_name", + "alt_loc", + "residue_name", + "blank_2", + "chain_id", + "residue_number", + "insertion", + "blank_3", + "x_coord", + "y_coord", + "z_coord", + "occupancy", + "b_factor", + "blank_4", + "segment_id", + "element_symbol", + "charge", + "line_idx", +] + class ProteinGraphConfigurationError(Exception): """ @@ -95,7 +121,7 @@ def read_fasta(file_path: str) -> Dict[str, str]: def download_pdb_multiprocessing( pdb_codes: List[str], out_dir: Union[str, Path], # type: ignore - format: str = "pdb", + format: Literal["pdb", "mmtf", "mmcif", "cif", "bcif"] = "pdb", overwrite: bool = False, strict: bool = False, max_workers: int = 16, @@ -107,7 +133,7 @@ def download_pdb_multiprocessing( :type pdb_codes: List[str] :param out_dir: Path to directory to download PDB structures to. :type out_dir: Union[str, Path] - :param format: Filetype to download. ``pdb`` or ``mmtf``. + :param format: Filetype to download. ``pdb``, ``mmtf``, ``mmcif``/``cif`` or ``bcif``. :type format: str :param overwrite: Whether to overwrite existing files, defaults to ``False``. @@ -130,15 +156,22 @@ def download_pdb_multiprocessing( overwrite=overwrite, strict=strict, ) - return process_map( - func, pdb_codes, max_workers=max_workers, chunksize=chunksize - ) + with Pool(processes=max_workers) as pool: + results = list( + tqdm( + pool.imap_unordered(func, pdb_codes, chunksize=chunksize), + total=len(pdb_codes), + desc="Downloading PDB files", + unit="file", + ) + ) + return results def download_pdb( pdb_code: str, out_dir: Optional[Union[str, Path]] = None, - format: str = "pdb", + format: Literal["pdb", "mmtf", "mmcif", "cif", "bcif"] = "pdb", check_obsolete: bool = False, overwrite: bool = False, strict: bool = True, @@ -154,7 +187,7 @@ def download_pdb( :param out_dir: Path to directory to download PDB structure to. If ``None``, will download to a temporary directory. :type out_dir: Optional[Union[str, Path]] - :param format: Filetype to download. ``pdb`` or ``mmtf``. + :param format: Filetype to download. ``pdb``, ``mmtf``, ``mmcif``/``cif`` or ``bcif``. :type format: str :param check_obsolete: Whether to check for obsolete PDB codes, defaults to ``False``. If an obsolete PDB code is found, the updated PDB @@ -175,8 +208,16 @@ def download_pdb( elif format == "mmtf": BASE_URL = "https://mmtf.rcsb.org/v1.0/full/" extension = ".mmtf.gz" + elif format == "cif" or format == "mmcif": + BASE_URL = "https://files.rcsb.org/download/" + extension = ".cif.gz" + elif format == "bcif": + BASE_URL = "https://models.rcsb.org/" + extension = ".bcif.gz" else: - raise ValueError(f"Invalid format: {format}. Must be 'pdb' or 'mmtf'.") + raise ValueError( + f"Invalid format: {format}. Must be 'pdb', 'mmtf', '(mm)cif' or 'bcif'." + ) # Make output directory if it doesn't exist or set it to tempdir if None if out_dir is not None: @@ -205,7 +246,7 @@ def download_pdb( # Check if PDB already exists if os.path.exists(out_dir / f"{pdb_code}{extension}") and not overwrite: - log.info( + log.debug( f"{pdb_code} already exists: {out_dir / f'{pdb_code}{extension}'}" ) return out_dir / f"{pdb_code}{extension}" @@ -215,6 +256,7 @@ def download_pdb( wget.download( f"{BASE_URL}{pdb_code}{extension}", out=str(out_dir / f"{pdb_code}{extension}"), + bar=None, ) except HTTPError: log.warning(f"PDB {pdb_code} not found.") @@ -224,7 +266,7 @@ def download_pdb( assert os.path.exists( out_dir / f"{pdb_code}{extension}" ), f"{pdb_code} download failed. Not found in {out_dir}" - log.info(f"{pdb_code} downloaded to {out_dir}") + log.debug(f"{pdb_code} downloaded to {out_dir}") return out_dir / f"{pdb_code}{extension}" @@ -346,7 +388,7 @@ def download_alphafold_structure( (Path(out_dir) / f"{uniprot_id}{extension}").resolve() ) - log.info(f"Downloaded AlphaFold PDB file for: {uniprot_id}") + log.debug(f"Downloaded AlphaFold PDB file for: {uniprot_id}") if aligned_score: score_query = ( BASE_URL @@ -401,18 +443,33 @@ def save_graph_to_pdb( :type gz: bool """ ppd = PandasPdb() - atom_df = filter_dataframe( - g.graph["pdb_df"], "record_name", ["ATOM"], boolean=True - ) - hetatm_df = filter_dataframe( - g.graph["pdb_df"], "record_name", ["HETATM"], boolean=True - ) + + df = g.graph["pdb_df"].copy() + # format charge correctly + df.charge = pd.to_numeric(df.charge, errors="coerce") + + # Add blank columns + blank_cols = [ + "blank_1", + "blank_2", + "blank_3", + "blank_4", + "segment_id", + ] + for col in blank_cols: + if col not in df.columns: + df[col] = "" + df["line_idx"] = list(range(1, len(df) + 1)) + df = df[pdb_df_columns] + atom_df = filter_dataframe(df, "record_name", ["ATOM"], boolean=True) + hetatm_df = filter_dataframe(df, "record_name", ["HETATM"], boolean=True) + if atoms: ppd.df["ATOM"] = atom_df if hetatms: ppd.df["HETATM"] = hetatm_df ppd.to_pdb(path=path, records=None, gz=gz, append_newline=True) - log.info(f"Successfully saved graph to {path}") + log.debug(f"Successfully saved graph to {path}") def save_pdb_df_to_pdb( @@ -431,15 +488,28 @@ def save_pdb_df_to_pdb( :param gz: Whether to gzip the file. Defaults to ``False``. :type gz: bool """ + df = df.copy() + # format charge correctly + df.charge = pd.to_numeric(df.charge, errors="coerce") + df.alt_loc = df.alt_loc.fillna(" ") + blank_cols = ["blank_1", "blank_2", "blank_3", "blank_4", "segment_id"] + for col in blank_cols: + if col not in df.columns: + df[col] = "" + df["line_idx"] = list(range(1, len(df) + 1)) + df = df[pdb_df_columns] + atom_df = filter_dataframe(df, "record_name", ["ATOM"], boolean=True) hetatm_df = filter_dataframe(df, "record_name", ["HETATM"], boolean=True) + ppd = PandasPdb() + if atoms: ppd.df["ATOM"] = atom_df if hetatms: ppd.df["HETATM"] = hetatm_df ppd.to_pdb(path=path, records=None, gz=gz, append_newline=True) - log.info(f"Successfully saved PDB dataframe to {path}") + log.debug(f"Successfully saved PDB dataframe to {path}") def save_rgroup_df_to_pdb( @@ -464,18 +534,27 @@ def save_rgroup_df_to_pdb( :type gz: bool """ ppd = PandasPdb() - atom_df = filter_dataframe( - g.graph["rgroup_df"], "record_name", ["ATOM"], boolean=True - ) - hetatm_df = filter_dataframe( - g.graph["rgroup_df"], "record_name", ["HETATM"], boolean=True - ) + df = g.graph["rgroup_df"].copy() + + # format charge correctly + df.charge = pd.to_numeric(df.charge, errors="coerce") + + blank_cols = ["blank_1", "blank_2", "blank_3", "blank_4", "segment_id"] + for col in blank_cols: + if col not in df.columns: + df[col] = [""] * len(df) + df["line_idx"] = list(range(1, len(df) + 1)) + df = df[pdb_df_columns] + + atom_df = filter_dataframe(df, "record_name", ["ATOM"], boolean=True) + hetatm_df = filter_dataframe(df, "record_name", ["HETATM"], boolean=True) + if atoms: ppd.df["ATOM"] = atom_df if hetatms: ppd.df["HETATM"] = hetatm_df ppd.to_pdb(path=path, records=None, gz=gz, append_newline=True) - log.info(f"Successfully saved rgroup data to {path}") + log.debug(f"Successfully saved rgroup data to {path}") def esmfold( diff --git a/graphein/protein/visualisation.py b/graphein/protein/visualisation.py index 4fe6e29fa..c156ced83 100644 --- a/graphein/protein/visualisation.py +++ b/graphein/protein/visualisation.py @@ -34,7 +34,7 @@ package="pytorch3d", conda_channel="pytorch3d", ) - log.warning(message) + log.debug(message) try: from mpl_chord_diagram import chord_diagram @@ -45,6 +45,7 @@ pip_install=True, extras=True, ) + log.debug(message) """ diff --git a/graphein/rna/nussinov.py b/graphein/rna/nussinov.py index 73d95d5f5..5c5a8d00b 100644 --- a/graphein/rna/nussinov.py +++ b/graphein/rna/nussinov.py @@ -148,7 +148,7 @@ def initialize( """ DP = np.empty((N, N)) - DP[:] = np.NAN + DP[:] = np.nan for k in range(MIN_LOOP_LENGTH): for i in range(N - k): j = i + k diff --git a/graphein/utils/dependencies.py b/graphein/utils/dependencies.py index 44fe37a66..932346768 100644 --- a/graphein/utils/dependencies.py +++ b/graphein/utils/dependencies.py @@ -1,5 +1,6 @@ import os import sys +from functools import wraps from shutil import which from typing import Optional @@ -84,3 +85,70 @@ def is_tool(name: str, error: bool = False) -> bool: if not found and error: raise MissingDependencyError(name) return found + + +# Decorator for checking if a function has the required dependencies +def requires_external_dependencies(*deps): + """ + A decorator to check if all required dependencies are installed before + calling the decorated function. If a dependency is missing, it raises + a MissingDependencyError. + + :param deps: A list of dependencies (as strings) to check for. + """ + + def decorator(func): + @wraps(func) + def wrapper(*args, **kwargs): + missing_deps = [dep for dep in deps if not is_tool(dep)] + if missing_deps: + missing = ", ".join(missing_deps) + raise MissingDependencyError( + f"Missing dependencies: {missing}" + ) + return func(*args, **kwargs) + + return wrapper + + return decorator + + +_lib_check_cache = {} + + +def requires_python_libs(*libs): + """ + A decorator to check if all required Python library dependencies are installed + before calling the decorated function. If a library is missing, it raises + an ImportError with details about the missing libraries. Caches check results + to avoid repeated imports. + + :param libs: A list of library names (as strings) to check for. + """ + + def decorator(func): + @wraps(func) + def wrapper(*args, **kwargs): + missing_libs = [] + for lib in libs: + # Check if the library check result is cached + if lib in _lib_check_cache: + if not _lib_check_cache[lib]: + missing_libs.append(lib) + else: + try: + __import__(lib) + _lib_check_cache[lib] = True + except ImportError: + _lib_check_cache[lib] = False + missing_libs.append(lib) + if missing_libs: + missing = ", ".join(missing_libs) + raise ImportError( + f"Missing Python library dependencies: {missing}" + ) + return func(*args, **kwargs) + + return wrapper + + return decorator diff --git a/graphein/utils/pymol/core.py b/graphein/utils/pymol/core.py index 3da11bdd5..da27d3036 100644 --- a/graphein/utils/pymol/core.py +++ b/graphein/utils/pymol/core.py @@ -5,6 +5,7 @@ import tempfile import time +from ..dependencies import requires_external_dependencies from .compat import Server HOST = os.environ.get("PYMOL_RPCHOST", "localhost") @@ -29,6 +30,7 @@ def __getattr__(self, key): def _process_is_running(self): return self._process is not None and self._process.poll() is None + @requires_external_dependencies("pymol") def start(self, args=("-Q",), exe="pymol"): """Start the PyMOL RPC server and connect to it Start simple GUI (-xi), suppress all output (-Q): diff --git a/graphein/utils/utils.py b/graphein/utils/utils.py index 2bc82183e..cd2857099 100644 --- a/graphein/utils/utils.py +++ b/graphein/utils/utils.py @@ -7,11 +7,13 @@ # Code Repository: https://github.com/a-r-j/graphein from __future__ import annotations -import os +import functools +import inspect import platform import subprocess import sys -from typing import Any, Callable, Iterable, List, Optional +import warnings +from typing import Any, Callable, Iterable, List import networkx as nx import numpy as np @@ -25,10 +27,6 @@ from typing_extensions import Literal -AggregationType: List["sum", "mean", "max", "min", "median"] -"""Types of aggregations for features.""" - - def onek_encoding_unk( x: Iterable[Any], allowable_set: List[Any] ) -> List[bool]: @@ -401,11 +399,13 @@ def get_graph_attribute_names(g: nx.Graph) -> List[str]: return list(g.graph.keys()) -def parse_aggregation_type(aggregation_type: AggregationType) -> Callable: +def parse_aggregation_type( + aggregation_type: Literal["sum", "mean", "max", "min", "median"] +) -> Callable: """Returns an aggregation function by name :param aggregation_type: One of: ``["max", "min", "mean", "median", "sum"]``. - :type aggregration_type: AggregationType + :type aggregration_type: Literal["sum", "mean", "max", "min", "median"] :returns: NumPy aggregation function. :rtype: Callable :raises ValueError: if aggregation type is not supported. @@ -426,3 +426,61 @@ def parse_aggregation_type(aggregation_type: AggregationType) -> Callable: f" Please use min, max, mean, median, sum" ) return func + + +_string_types = (type(b""), type("")) + + +def deprecated(reason): + """ + This is a decorator which can be used to mark functions + as deprecated. It will result in a warning being emitted + when the function is used. + """ + + if isinstance(reason, _string_types): + + def decorator(func1): + if inspect.isclass(func1): + fmt1 = "Call to deprecated class {name} ({reason})." + else: + fmt1 = "Call to deprecated function {name} ({reason})." + + @functools.wraps(func1) + def new_func1(*args, **kwargs): + warnings.simplefilter("always", DeprecationWarning) + warnings.warn( + fmt1.format(name=func1.__name__, reason=reason), + category=DeprecationWarning, + stacklevel=2, + ) + warnings.simplefilter("default", DeprecationWarning) + return func1(*args, **kwargs) + + return new_func1 + + return decorator + + elif inspect.isclass(reason) or inspect.isfunction(reason): + func2 = reason + + if inspect.isclass(func2): + fmt2 = "Call to deprecated class {name}." + else: + fmt2 = "Call to deprecated function {name}." + + @functools.wraps(func2) + def new_func2(*args, **kwargs): + warnings.simplefilter("always", DeprecationWarning) + warnings.warn( + fmt2.format(name=func2.__name__), + category=DeprecationWarning, + stacklevel=2, + ) + warnings.simplefilter("default", DeprecationWarning) + return func2(*args, **kwargs) + + return new_func2 + + else: + raise TypeError(repr(type(reason))) diff --git a/notebooks/atom_graph_tutorial.ipynb b/notebooks/atom_graph_tutorial.ipynb index 7253d3cc2..77721497c 100644 --- a/notebooks/atom_graph_tutorial.ipynb +++ b/notebooks/atom_graph_tutorial.ipynb @@ -193,7 +193,7 @@ "To use a local file, you can run:\n", "\n", "```python\n", - "g = construct_graph(config=config, pdb_path=\"../examples/pdbs/3eiy.pdb\")\n", + "g = construct_graph(config=config, path=\"../examples/pdbs/3eiy.pdb\")\n", "```" ] }, diff --git a/notebooks/creating_datasets_from_the_pdb.ipynb b/notebooks/creating_datasets_from_the_pdb.ipynb index 5616e095d..539f66eb2 100644 --- a/notebooks/creating_datasets_from_the_pdb.ipynb +++ b/notebooks/creating_datasets_from_the_pdb.ipynb @@ -737,6 +737,7 @@ ], "source": [ "!pip install graphein\n", + "!pip install torch_geometric\n", "from rich import inspect\n", "from graphein.ml.datasets import PDBManager\n", "\n", diff --git a/notebooks/ppi_graph.ipynb b/notebooks/ppi_graph.ipynb index b4caa9fb7..3e9153266 100644 --- a/notebooks/ppi_graph.ipynb +++ b/notebooks/ppi_graph.ipynb @@ -1990,11 +1990,11 @@ "for n, d in g.nodes(data=True):\n", " try:\n", " fp = download_alphafold_structure(d['uniprot_ids'][0])[0]\n", - " pg = construct_graph(pg_config, pdb_path=fp)\n", - " \n", + " pg = construct_graph(pg_config, path=fp)\n", + "\n", " # Add protein graph as node feature\n", " d['protein_graph'] = pg\n", - " \n", + "\n", " # Plot\n", " ax = plot_protein_structure_graph(pg, label_node_ids=False, colour_nodes_by=\"residue_name\")\n", " ax.set_title(d[\"uniprot_ids\"][0])\n", diff --git a/notebooks/residue_graphs.ipynb b/notebooks/residue_graphs.ipynb index ff4f34864..656ba39ea 100644 --- a/notebooks/residue_graphs.ipynb +++ b/notebooks/residue_graphs.ipynb @@ -273,7 +273,7 @@ "If you wish to use a local `.pdb` file, you can run:\n", "\n", "```python\n", - "g = construct_graph(config=config, pdb_path=\"../graphein/examples/pdbs/3eiy.pdb\")\n", + "g = construct_graph(config=config, path=\"../graphein/examples/pdbs/3eiy.pdb\")\n", "```" ] }, diff --git a/pyproject.toml b/pyproject.toml index e646c8862..41fe70f64 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -43,6 +43,8 @@ ignore-semiprivate = false quiet = false verbose = 2 +[tool.ruff.lint] +select = ["NPY201"] [tool.pytest.ini_options] minversion = "6.0" diff --git a/setup.py b/setup.py index 895538850..eca80b689 100644 --- a/setup.py +++ b/setup.py @@ -134,7 +134,7 @@ def run(self): setup( name="graphein", - version="1.7.6", + version="1.7.7", description="Protein & Interactomic Graph Construction for Machine Learning", long_description=long_description, long_description_content_type="text/markdown", diff --git a/tests/protein/nodes/features/test_dssp.py b/tests/protein/nodes/features/test_dssp.py new file mode 100644 index 000000000..4266ffcfe --- /dev/null +++ b/tests/protein/nodes/features/test_dssp.py @@ -0,0 +1,77 @@ +# basic +import functools +import pathlib + +# test +import pytest + +from graphein.protein.config import DSSPConfig, ProteinGraphConfig +from graphein.protein.edges import distance as D +from graphein.protein.features.nodes import rsa +from graphein.protein.graphs import construct_graph +from graphein.protein.subgraphs import extract_surface_subgraph +from graphein.protein.utils import ProteinGraphConfigurationError + +# graphein +from graphein.utils.dependencies import is_tool + +# ---------- input ---------- +pdb_path = ( + pathlib.Path(__file__).parent.parent.parent + / "test_data" + / "input_pdb_cryst1.pdb" +) +dssp_exe = "mkdssp" +RSA_THRESHOLD = 0.2 + +DSSP_AVAILABLE = is_tool("mkdssp") + + +@pytest.fixture +def dssp_graph(): + # ---------- graph config ---------- + params_to_change = { + "granularity": "centroids", # "atom", "CA", "centroids" + "insertions": True, + "edge_construction_functions": [ + # graphein.protein.edges.distance.add_peptide_bonds, + D.add_distance_to_edges, + D.add_hydrogen_bond_interactions, + D.add_ionic_interactions, + D.add_backbone_carbonyl_carbonyl_interactions, + D.add_salt_bridges, + # distance + functools.partial( + D.add_distance_threshold, + long_interaction_threshold=4, + threshold=4.5, + ), + ], + "dssp_config": DSSPConfig(executable=dssp_exe), + "graph_metadata_functions": [rsa], + } + config = ProteinGraphConfig(**params_to_change) + # ---------- construct graph ---------- + return construct_graph(config=config, path=pdb_path, verbose=False) + + +# ---------- test: dssp DataFrame ---------- +@pytest.mark.skipif(not DSSP_AVAILABLE, reason="DSSP not available") +def test_assert_nonempty_dssp_df(dssp_graph): + """if not provided dssp version to dssp.add_dssp_df, will output an empty DataFrame""" + if dssp_graph.graph["dssp_df"].empty: + pytest.fail("DSSP dataframe is empty") + + +# ---------- test: surface subgraph nodes with insertion code ---------- +@pytest.mark.skipif(not DSSP_AVAILABLE, reason="DSSP not available") +def test_extract_surface_subgraph_insertion_node(dssp_graph): + """if not added insertion codes, will raise ProteinGraphConfigurationError""" + try: + # without the modification, the following line will raise + # ProteinGraphConfigurationError RSA not defined for all nodes (H:TYR:52:A). + s_g = extract_surface_subgraph(dssp_graph, RSA_THRESHOLD) + except ProteinGraphConfigurationError as e: + pytest.fail( + "extract_surface_subgraph raised ProteinGraphConfigurationError:\n{e}" + ) diff --git a/tests/protein/nodes/features/test_geometry.py b/tests/protein/nodes/features/test_geometry.py index 216287a4b..f5466b701 100644 --- a/tests/protein/nodes/features/test_geometry.py +++ b/tests/protein/nodes/features/test_geometry.py @@ -84,7 +84,8 @@ def test_add_beta_carbon_vector(caplog): # Test handling of missing beta-carbons g = construct_graph(config=config, pdb_code="3se8") - assert "H:CYS:104" in caplog.text # Test warning is raised + + assert "H:CYS:104" in g.nodes for n, d in g.nodes(data=True): assert d["c_beta_vector"].shape == (3,) if n == "H:CYS:104": @@ -137,7 +138,7 @@ def test_add_sidechain_vector(): sc_true = np.array( g.graph["rgroup_df"] .groupby("node_id") - .mean() + .mean(numeric_only=True) .loc[n][["x_coord", "y_coord", "z_coord"]] ) np.testing.assert_almost_equal( diff --git a/tests/protein/tensor/test_angles.py b/tests/protein/tensor/test_angles.py index 45fa7ad2e..fe658d8e6 100644 --- a/tests/protein/tensor/test_angles.py +++ b/tests/protein/tensor/test_angles.py @@ -85,7 +85,9 @@ def test_torsion_to_rad(): delta[delta.nonzero()] = torch.abs(delta[torch.nonzero(delta)] - 2 * np.pi) delta = ((delta + 2 * np.pi) / np.pi) % 2 - np.testing.assert_allclose(delta, torch.zeros_like(delta), atol=1e-5) + np.testing.assert_allclose( + delta, torch.zeros_like(delta), atol=1e-3, rtol=1e-3 + ) @pytest.mark.skipif(not TORCH_AVAIL, reason="PyTorch not available") @@ -98,7 +100,7 @@ def test_dihedral_angle(): expected_output = -torch.tensor([math.pi / 2]) assert torch.isclose( - _dihedral_angle(a, b, c, d), expected_output, rtol=1e-5, atol=1e-5 + _dihedral_angle(a, b, c, d), expected_output, rtol=1e-4, atol=1e-4 ).all() # Test 2: Test angle between two parallel planes @@ -108,7 +110,7 @@ def test_dihedral_angle(): d = torch.tensor([[1, 0, 0]], dtype=torch.float32) expected_output = torch.tensor([0.0]) assert torch.isclose( - _dihedral_angle(a, b, c, d), expected_output, rtol=1e-5, atol=1e-5 + _dihedral_angle(a, b, c, d), expected_output, rtol=1e-4, atol=1e-4 ).all() @@ -124,7 +126,9 @@ def test_dihedrals_to_rad(): delta[delta.nonzero()] = torch.abs(delta[torch.nonzero(delta)] - 2 * np.pi) delta = ((delta + 2 * np.pi) / np.pi) % 2 - np.testing.assert_allclose(delta, torch.zeros_like(delta), atol=1e-5) + np.testing.assert_allclose( + delta, torch.zeros_like(delta), atol=1e-4, rtol=1e-4 + ) @pytest.mark.skipif(not TORCH_AVAIL, reason="PyTorch not available") diff --git a/tests/protein/tensor/test_data.py b/tests/protein/tensor/test_data.py index 142bcd955..8cbea8771 100644 --- a/tests/protein/tensor/test_data.py +++ b/tests/protein/tensor/test_data.py @@ -16,5 +16,5 @@ def test_save_and_load_protein(): a = Protein().from_pdb_code("4hhb") torch.save(a, "4hhb.pt") - b = torch.load("4hhb.pt") + b = torch.load("4hhb.pt", weights_only=False) assert a == b diff --git a/tests/protein/tensor/test_io.py b/tests/protein/tensor/test_io.py index bb1806e0a..f489dac74 100644 --- a/tests/protein/tensor/test_io.py +++ b/tests/protein/tensor/test_io.py @@ -7,6 +7,7 @@ # Code Repository: https://github.com/a-r-j/graphein import os +from pathlib import Path import pytest from biopandas.pdb import PandasPdb @@ -16,6 +17,7 @@ from graphein.protein.tensor.io import ( protein_df_to_chain_tensor, protein_df_to_tensor, + protein_to_pyg, to_dataframe, to_pdb, ) @@ -28,6 +30,13 @@ except ImportError: TORCH_AVAIL = False +PDB_DATA_PATH = ( + Path(__file__).resolve().parent.parent / "test_data" / "4hhb.pdb" +) +CIF_DATA_PATH = ( + Path(__file__).resolve().parent.parent / "test_data" / "4hhb.cif" +) + def get_example_df(): p = PandasPdb().fetch_pdb("3EIY") @@ -99,3 +108,17 @@ def test_to_pdb(): ppdb1.df["ATOM"][["atom_name", "residue_name", "element_symbol"]][:50], ppdb2.df["ATOM"][["atom_name", "residue_name", "element_symbol"]][:50], ) + + +def test_pdb_to_pyg(): + pyg_object = protein_to_pyg(PDB_DATA_PATH) + + +def test_cif_to_pyg(): + pyg_object = protein_to_pyg(CIF_DATA_PATH) + + +def test_pdb_and_cif_parsing(): + pdb_pyg = protein_to_pyg(PDB_DATA_PATH) + cif_pyg = protein_to_pyg(CIF_DATA_PATH) + assert pdb_pyg.coords.shape == cif_pyg.coords.shape diff --git a/tests/protein/tensor/test_reconstruction.py b/tests/protein/tensor/test_reconstruction.py index e9e7f2f1a..7aa83fd49 100644 --- a/tests/protein/tensor/test_reconstruction.py +++ b/tests/protein/tensor/test_reconstruction.py @@ -30,4 +30,3 @@ def test_dist_mat_to_coords(): assert torch.allclose(d, torch.cdist(X, X), atol=1e-4) X_aligned = kabsch(X, coords) assert torch.allclose(coords, X_aligned, atol=1e-4) - return coords, X, X_aligned diff --git a/tests/protein/test_data/4hhb.cif b/tests/protein/test_data/4hhb.cif new file mode 100644 index 000000000..3209ad61c --- /dev/null +++ b/tests/protein/test_data/4hhb.cif @@ -0,0 +1,11053 @@ +data_4HHB +# +_entry.id 4HHB +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.392 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 4HHB pdb_00004hhb 10.2210/pdb4hhb/pdb +WWPDB D_1000179340 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 1984-07-17 +2 'Structure model' 1 1 2008-03-03 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 2 0 2020-06-17 +5 'Structure model' 3 0 2021-03-31 +6 'Structure model' 4 0 2023-02-08 +7 'Structure model' 4 1 2023-03-15 +8 'Structure model' 4 2 2024-05-22 +# +loop_ +_pdbx_audit_revision_details.ordinal +_pdbx_audit_revision_details.revision_ordinal +_pdbx_audit_revision_details.data_content_type +_pdbx_audit_revision_details.provider +_pdbx_audit_revision_details.type +_pdbx_audit_revision_details.description +_pdbx_audit_revision_details.details +1 1 'Structure model' repository 'Initial release' ? ? +2 6 'Structure model' repository Remediation ? +'Coordinates and associated ncs operations (if present) transformed into standard crystal frame' +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' Advisory +3 3 'Structure model' 'Version format compliance' +4 4 'Structure model' Advisory +5 4 'Structure model' 'Atomic model' +6 4 'Structure model' 'Data collection' +7 4 'Structure model' 'Database references' +8 4 'Structure model' Other +9 4 'Structure model' 'Source and taxonomy' +10 4 'Structure model' 'Structure summary' +11 5 'Structure model' 'Atomic model' +12 5 'Structure model' 'Data collection' +13 5 'Structure model' 'Derived calculations' +14 6 'Structure model' Advisory +15 6 'Structure model' 'Atomic model' +16 6 'Structure model' 'Data collection' +17 6 'Structure model' 'Database references' +18 6 'Structure model' 'Derived calculations' +19 6 'Structure model' Other +20 6 'Structure model' 'Refinement description' +21 7 'Structure model' Advisory +22 8 'Structure model' 'Data collection' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' atom_site +2 4 'Structure model' database_PDB_caveat +3 4 'Structure model' entity +4 4 'Structure model' entity_name_com +5 4 'Structure model' entity_src_gen +6 4 'Structure model' pdbx_database_status +7 4 'Structure model' pdbx_validate_rmsd_angle +8 4 'Structure model' pdbx_validate_rmsd_bond +9 4 'Structure model' struct_ref +10 4 'Structure model' struct_ref_seq +11 5 'Structure model' atom_site +12 5 'Structure model' pdbx_validate_rmsd_angle +13 5 'Structure model' pdbx_validate_rmsd_bond +14 5 'Structure model' struct_site +15 6 'Structure model' atom_site +16 6 'Structure model' atom_sites +17 6 'Structure model' database_2 +18 6 'Structure model' database_PDB_matrix +19 6 'Structure model' pdbx_struct_conn_angle +20 6 'Structure model' pdbx_validate_close_contact +21 6 'Structure model' pdbx_validate_main_chain_plane +22 6 'Structure model' pdbx_validate_peptide_omega +23 6 'Structure model' pdbx_validate_planes +24 6 'Structure model' pdbx_validate_polymer_linkage +25 6 'Structure model' pdbx_validate_rmsd_angle +26 6 'Structure model' pdbx_validate_rmsd_bond +27 6 'Structure model' pdbx_validate_torsion +28 6 'Structure model' struct_ncs_oper +29 7 'Structure model' pdbx_database_remark +30 8 'Structure model' chem_comp_atom +31 8 'Structure model' chem_comp_bond +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 4 'Structure model' '_atom_site.B_iso_or_equiv' +2 4 'Structure model' '_atom_site.Cartn_x' +3 4 'Structure model' '_atom_site.Cartn_y' +4 4 'Structure model' '_atom_site.Cartn_z' +5 4 'Structure model' '_entity.pdbx_description' +6 4 'Structure model' '_entity_src_gen.gene_src_common_name' +7 4 'Structure model' '_entity_src_gen.pdbx_beg_seq_num' +8 4 'Structure model' '_entity_src_gen.pdbx_end_seq_num' +9 4 'Structure model' '_entity_src_gen.pdbx_gene_src_gene' +10 4 'Structure model' '_entity_src_gen.pdbx_seq_type' +11 4 'Structure model' '_pdbx_database_status.process_site' +12 4 'Structure model' '_pdbx_validate_rmsd_angle.angle_deviation' +13 4 'Structure model' '_pdbx_validate_rmsd_angle.angle_value' +14 4 'Structure model' '_pdbx_validate_rmsd_bond.bond_deviation' +15 4 'Structure model' '_pdbx_validate_rmsd_bond.bond_value' +16 4 'Structure model' '_struct_ref.pdbx_align_begin' +17 4 'Structure model' '_struct_ref_seq.db_align_beg' +18 4 'Structure model' '_struct_ref_seq.db_align_end' +19 5 'Structure model' '_atom_site.B_iso_or_equiv' +20 5 'Structure model' '_atom_site.Cartn_x' +21 5 'Structure model' '_atom_site.Cartn_y' +22 5 'Structure model' '_atom_site.Cartn_z' +23 5 'Structure model' '_pdbx_validate_rmsd_bond.bond_deviation' +24 5 'Structure model' '_pdbx_validate_rmsd_bond.bond_value' +25 5 'Structure model' '_struct_site.pdbx_auth_asym_id' +26 5 'Structure model' '_struct_site.pdbx_auth_comp_id' +27 5 'Structure model' '_struct_site.pdbx_auth_seq_id' +28 6 'Structure model' '_atom_site.Cartn_x' +29 6 'Structure model' '_atom_site.Cartn_y' +30 6 'Structure model' '_atom_site.Cartn_z' +31 6 'Structure model' '_atom_sites.fract_transf_matrix[1][1]' +32 6 'Structure model' '_atom_sites.fract_transf_matrix[1][2]' +33 6 'Structure model' '_atom_sites.fract_transf_matrix[1][3]' +34 6 'Structure model' '_atom_sites.fract_transf_matrix[2][1]' +35 6 'Structure model' '_atom_sites.fract_transf_matrix[2][2]' +36 6 'Structure model' '_atom_sites.fract_transf_matrix[2][3]' +37 6 'Structure model' '_atom_sites.fract_transf_matrix[3][1]' +38 6 'Structure model' '_atom_sites.fract_transf_matrix[3][2]' +39 6 'Structure model' '_atom_sites.fract_transf_matrix[3][3]' +40 6 'Structure model' '_atom_sites.fract_transf_vector[1]' +41 6 'Structure model' '_atom_sites.fract_transf_vector[2]' +42 6 'Structure model' '_atom_sites.fract_transf_vector[3]' +43 6 'Structure model' '_database_2.pdbx_DOI' +44 6 'Structure model' '_database_2.pdbx_database_accession' +45 6 'Structure model' '_database_PDB_matrix.origx[1][1]' +46 6 'Structure model' '_database_PDB_matrix.origx[1][2]' +47 6 'Structure model' '_database_PDB_matrix.origx[1][3]' +48 6 'Structure model' '_database_PDB_matrix.origx[2][1]' +49 6 'Structure model' '_database_PDB_matrix.origx[2][2]' +50 6 'Structure model' '_database_PDB_matrix.origx[2][3]' +51 6 'Structure model' '_database_PDB_matrix.origx[3][1]' +52 6 'Structure model' '_database_PDB_matrix.origx[3][2]' +53 6 'Structure model' '_database_PDB_matrix.origx[3][3]' +54 6 'Structure model' '_database_PDB_matrix.origx_vector[1]' +55 6 'Structure model' '_database_PDB_matrix.origx_vector[2]' +56 6 'Structure model' '_database_PDB_matrix.origx_vector[3]' +57 6 'Structure model' '_pdbx_struct_conn_angle.value' +58 6 'Structure model' '_pdbx_validate_close_contact.dist' +59 6 'Structure model' '_pdbx_validate_peptide_omega.omega' +60 6 'Structure model' '_pdbx_validate_planes.rmsd' +61 6 'Structure model' '_pdbx_validate_polymer_linkage.dist' +62 6 'Structure model' '_pdbx_validate_torsion.phi' +63 6 'Structure model' '_pdbx_validate_torsion.psi' +64 6 'Structure model' '_struct_ncs_oper.matrix[1][1]' +65 6 'Structure model' '_struct_ncs_oper.matrix[1][2]' +66 6 'Structure model' '_struct_ncs_oper.matrix[1][3]' +67 6 'Structure model' '_struct_ncs_oper.matrix[2][1]' +68 6 'Structure model' '_struct_ncs_oper.matrix[2][2]' +69 6 'Structure model' '_struct_ncs_oper.matrix[2][3]' +70 6 'Structure model' '_struct_ncs_oper.matrix[3][1]' +71 6 'Structure model' '_struct_ncs_oper.matrix[3][2]' +72 6 'Structure model' '_struct_ncs_oper.matrix[3][3]' +73 6 'Structure model' '_struct_ncs_oper.vector[1]' +74 6 'Structure model' '_struct_ncs_oper.vector[2]' +75 6 'Structure model' '_struct_ncs_oper.vector[3]' +# +loop_ +_database_PDB_caveat.id +_database_PDB_caveat.text +1 'THR A 137 HAS WRONG CHIRALITY AT ATOM CB' +2 'THR B 12 HAS WRONG CHIRALITY AT ATOM CB' +3 'THR B 50 HAS WRONG CHIRALITY AT ATOM CB' +4 'ASN C 78 HAS WRONG CHIRALITY AT ATOM CA' +5 'THR C 118 HAS WRONG CHIRALITY AT ATOM CB' +6 'HIS D 2 HAS WRONG CHIRALITY AT ATOM CA' +7 'SER D 72 HAS WRONG CHIRALITY AT ATOM CA' +8 'ASP D 73 HAS WRONG CHIRALITY AT ATOM CA' +9 'LEU D 78 HAS WRONG CHIRALITY AT ATOM CA' +10 'LYS D 144 HAS WRONG CHIRALITY AT ATOM CA' +# +_pdbx_database_PDB_obs_spr.id SPRSDE +_pdbx_database_PDB_obs_spr.date 1984-07-17 +_pdbx_database_PDB_obs_spr.pdb_id 4HHB +_pdbx_database_PDB_obs_spr.replace_pdb_id 1HHB +_pdbx_database_PDB_obs_spr.details ? +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 4HHB +_pdbx_database_status.recvd_initial_deposition_date 1984-03-07 +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site BNL +_pdbx_database_status.SG_entry . +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +# +loop_ +_pdbx_database_related.db_name +_pdbx_database_related.db_id +_pdbx_database_related.details +_pdbx_database_related.content_type +PDB 2HHB +;REFINED BY THE METHOD OF JACK AND LEVITT. THIS + ENTRY PRESENTS THE BEST ESTIMATE OF THE + COORDINATES. +; +unspecified +PDB 3HHB +;SYMMETRY AVERAGED ABOUT THE (NON-CRYSTALLOGRAPHIC) + MOLECULAR AXIS AND THEN RE-REGULARIZED BY THE + ENERGY REFINEMENT METHOD OF LEVITT. THIS ENTRY + PRESENTS COORDINATES THAT ARE ADEQUATE FOR MOST + PURPOSES, SUCH AS COMPARISON WITH OTHER STRUCTURES. +; +unspecified +PDB 1GLI . unspecified +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Fermi, G.' 1 ? +'Perutz, M.F.' 2 ? +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'The crystal structure of human deoxyhaemoglobin at 1.74 A resolution' J.Mol.Biol. 175 159 174 1984 JMOBAK UK 0022-2836 +0070 ? 6726807 '10.1016/0022-2836(84)90472-8' +1 'Stereochemistry of Iron in Deoxyhaemoglobin' Nature 295 +535 ? 1982 NATUAS UK 0028-0836 0006 ? ? ? +3 'Regulation of Oxygen Affinity of Hemoglobin. Influence of Structure of the Globin on the Heme Iron' Annu.Rev.Biochem. 48 +327 ? 1979 ARBOAW US 0066-4154 0413 ? ? ? +4 'Three-Dimensional Fourier Synthesis of Human Deoxyhemoglobin at 2.5 Angstroms Resolution, I.X-Ray Analysis' J.Mol.Biol. +100 3 ? 1976 JMOBAK UK 0022-2836 0070 ? ? ? +5 +'Three-Dimensional Fourier Synthesis of Human Deoxyhaemoglobin at 2.5 Angstroms Resolution, Refinement of the Atomic Model' +J.Mol.Biol. 97 237 ? 1975 JMOBAK UK 0022-2836 0070 ? ? ? +6 'Three-Dimensional Fourier Synthesis of Human Deoxyhaemoglobin at 3.5 Angstroms Resolution' Nature 228 516 ? 1970 NATUAS +UK 0028-0836 0006 ? ? ? +2 ? 'Haemoglobin and Myoglobin. Atlas of Molecular Structures in Biology' 2 ? ? 1981 ? ? 0-19-854706-4 0986 +'Oxford University Press' ? ? +7 ? 'Atlas of Protein Sequence and Structure (Data Section)' 5 56 ? 1972 ? ? 0-912466-02-2 0435 +'National Biomedical Research Foundation, Silver Spring,Md.' ? ? +8 ? 'Atlas of Protein Sequence and Structure (Data Section)' 5 64 ? 1972 ? ? 0-912466-02-2 0435 +'National Biomedical Research Foundation, Silver Spring,Md.' ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Fermi, G.' 1 ? +primary 'Perutz, M.F.' 2 ? +primary 'Shaanan, B.' 3 ? +primary 'Fourme, R.' 4 ? +1 'Perutz, M.F.' 5 ? +1 'Hasnain, S.S.' 6 ? +1 'Duke, P.J.' 7 ? +1 'Sessler, J.L.' 8 ? +1 'Hahn, J.E.' 9 ? +2 'Fermi, G.' 10 ? +2 'Perutz, M.F.' 11 ? +3 'Perutz, M.F.' 12 ? +4 'Teneyck, L.F.' 13 ? +4 'Arnone, A.' 14 ? +5 'Fermi, G.' 15 ? +6 'Muirhead, H.' 16 ? +6 'Greer, J.' 17 ? +# +loop_ +_citation_editor.citation_id +_citation_editor.name +_citation_editor.ordinal +7 'Dayhoff, M.O.' 1 +8 'Dayhoff, M.O.' 2 +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'Hemoglobin subunit alpha' 15150.353 2 ? ? ? ? +2 polymer man 'Hemoglobin subunit beta' 15890.198 2 ? ? ? ? +3 non-polymer syn 'PROTOPORPHYRIN IX CONTAINING FE' 616.487 4 ? ? ? ? +4 non-polymer syn 'PHOSPHATE ION' 94.971 2 ? ? ? ? +5 water nat water 18.015 221 ? ? ? ? +# +loop_ +_entity_name_com.entity_id +_entity_name_com.name +1 'Alpha-globin,Hemoglobin alpha chain' +2 'Beta-globin,Hemoglobin beta chain' +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_target_identifier +1 'polypeptide(L)' no no +;VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNAL +SALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR +; +;VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNAL +SALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR +; +A,C ? +2 'polypeptide(L)' no no +;VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDN +LKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH +; +;VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDN +LKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH +; +B,D ? +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +3 'PROTOPORPHYRIN IX CONTAINING FE' HEM +4 'PHOSPHATE ION' PO4 +5 water HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 VAL n +1 2 LEU n +1 3 SER n +1 4 PRO n +1 5 ALA n +1 6 ASP n +1 7 LYS n +1 8 THR n +1 9 ASN n +1 10 VAL n +1 11 LYS n +1 12 ALA n +1 13 ALA n +1 14 TRP n +1 15 GLY n +1 16 LYS n +1 17 VAL n +1 18 GLY n +1 19 ALA n +1 20 HIS n +1 21 ALA n +1 22 GLY n +1 23 GLU n +1 24 TYR n +1 25 GLY n +1 26 ALA n +1 27 GLU n +1 28 ALA n +1 29 LEU n +1 30 GLU n +1 31 ARG n +1 32 MET n +1 33 PHE n +1 34 LEU n +1 35 SER n +1 36 PHE n +1 37 PRO n +1 38 THR n +1 39 THR n +1 40 LYS n +1 41 THR n +1 42 TYR n +1 43 PHE n +1 44 PRO n +1 45 HIS n +1 46 PHE n +1 47 ASP n +1 48 LEU n +1 49 SER n +1 50 HIS n +1 51 GLY n +1 52 SER n +1 53 ALA n +1 54 GLN n +1 55 VAL n +1 56 LYS n +1 57 GLY n +1 58 HIS n +1 59 GLY n +1 60 LYS n +1 61 LYS n +1 62 VAL n +1 63 ALA n +1 64 ASP n +1 65 ALA n +1 66 LEU n +1 67 THR n +1 68 ASN n +1 69 ALA n +1 70 VAL n +1 71 ALA n +1 72 HIS n +1 73 VAL n +1 74 ASP n +1 75 ASP n +1 76 MET n +1 77 PRO n +1 78 ASN n +1 79 ALA n +1 80 LEU n +1 81 SER n +1 82 ALA n +1 83 LEU n +1 84 SER n +1 85 ASP n +1 86 LEU n +1 87 HIS n +1 88 ALA n +1 89 HIS n +1 90 LYS n +1 91 LEU n +1 92 ARG n +1 93 VAL n +1 94 ASP n +1 95 PRO n +1 96 VAL n +1 97 ASN n +1 98 PHE n +1 99 LYS n +1 100 LEU n +1 101 LEU n +1 102 SER n +1 103 HIS n +1 104 CYS n +1 105 LEU n +1 106 LEU n +1 107 VAL n +1 108 THR n +1 109 LEU n +1 110 ALA n +1 111 ALA n +1 112 HIS n +1 113 LEU n +1 114 PRO n +1 115 ALA n +1 116 GLU n +1 117 PHE n +1 118 THR n +1 119 PRO n +1 120 ALA n +1 121 VAL n +1 122 HIS n +1 123 ALA n +1 124 SER n +1 125 LEU n +1 126 ASP n +1 127 LYS n +1 128 PHE n +1 129 LEU n +1 130 ALA n +1 131 SER n +1 132 VAL n +1 133 SER n +1 134 THR n +1 135 VAL n +1 136 LEU n +1 137 THR n +1 138 SER n +1 139 LYS n +1 140 TYR n +1 141 ARG n +2 1 VAL n +2 2 HIS n +2 3 LEU n +2 4 THR n +2 5 PRO n +2 6 GLU n +2 7 GLU n +2 8 LYS n +2 9 SER n +2 10 ALA n +2 11 VAL n +2 12 THR n +2 13 ALA n +2 14 LEU n +2 15 TRP n +2 16 GLY n +2 17 LYS n +2 18 VAL n +2 19 ASN n +2 20 VAL n +2 21 ASP n +2 22 GLU n +2 23 VAL n +2 24 GLY n +2 25 GLY n +2 26 GLU n +2 27 ALA n +2 28 LEU n +2 29 GLY n +2 30 ARG n +2 31 LEU n +2 32 LEU n +2 33 VAL n +2 34 VAL n +2 35 TYR n +2 36 PRO n +2 37 TRP n +2 38 THR n +2 39 GLN n +2 40 ARG n +2 41 PHE n +2 42 PHE n +2 43 GLU n +2 44 SER n +2 45 PHE n +2 46 GLY n +2 47 ASP n +2 48 LEU n +2 49 SER n +2 50 THR n +2 51 PRO n +2 52 ASP n +2 53 ALA n +2 54 VAL n +2 55 MET n +2 56 GLY n +2 57 ASN n +2 58 PRO n +2 59 LYS n +2 60 VAL n +2 61 LYS n +2 62 ALA n +2 63 HIS n +2 64 GLY n +2 65 LYS n +2 66 LYS n +2 67 VAL n +2 68 LEU n +2 69 GLY n +2 70 ALA n +2 71 PHE n +2 72 SER n +2 73 ASP n +2 74 GLY n +2 75 LEU n +2 76 ALA n +2 77 HIS n +2 78 LEU n +2 79 ASP n +2 80 ASN n +2 81 LEU n +2 82 LYS n +2 83 GLY n +2 84 THR n +2 85 PHE n +2 86 ALA n +2 87 THR n +2 88 LEU n +2 89 SER n +2 90 GLU n +2 91 LEU n +2 92 HIS n +2 93 CYS n +2 94 ASP n +2 95 LYS n +2 96 LEU n +2 97 HIS n +2 98 VAL n +2 99 ASP n +2 100 PRO n +2 101 GLU n +2 102 ASN n +2 103 PHE n +2 104 ARG n +2 105 LEU n +2 106 LEU n +2 107 GLY n +2 108 ASN n +2 109 VAL n +2 110 LEU n +2 111 VAL n +2 112 CYS n +2 113 VAL n +2 114 LEU n +2 115 ALA n +2 116 HIS n +2 117 HIS n +2 118 PHE n +2 119 GLY n +2 120 LYS n +2 121 GLU n +2 122 PHE n +2 123 THR n +2 124 PRO n +2 125 PRO n +2 126 VAL n +2 127 GLN n +2 128 ALA n +2 129 ALA n +2 130 TYR n +2 131 GLN n +2 132 LYS n +2 133 VAL n +2 134 VAL n +2 135 ALA n +2 136 GLY n +2 137 VAL n +2 138 ALA n +2 139 ASN n +2 140 ALA n +2 141 LEU n +2 142 ALA n +2 143 HIS n +2 144 LYS n +2 145 TYR n +2 146 HIS n +# +loop_ +_entity_src_gen.entity_id +_entity_src_gen.pdbx_src_id +_entity_src_gen.pdbx_alt_source_flag +_entity_src_gen.pdbx_seq_type +_entity_src_gen.pdbx_beg_seq_num +_entity_src_gen.pdbx_end_seq_num +_entity_src_gen.gene_src_common_name +_entity_src_gen.gene_src_genus +_entity_src_gen.pdbx_gene_src_gene +_entity_src_gen.gene_src_species +_entity_src_gen.gene_src_strain +_entity_src_gen.gene_src_tissue +_entity_src_gen.gene_src_tissue_fraction +_entity_src_gen.gene_src_details +_entity_src_gen.pdbx_gene_src_fragment +_entity_src_gen.pdbx_gene_src_scientific_name +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id +_entity_src_gen.pdbx_gene_src_variant +_entity_src_gen.pdbx_gene_src_cell_line +_entity_src_gen.pdbx_gene_src_atcc +_entity_src_gen.pdbx_gene_src_organ +_entity_src_gen.pdbx_gene_src_organelle +_entity_src_gen.pdbx_gene_src_cell +_entity_src_gen.pdbx_gene_src_cellular_location +_entity_src_gen.host_org_common_name +_entity_src_gen.pdbx_host_org_scientific_name +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id +_entity_src_gen.host_org_genus +_entity_src_gen.pdbx_host_org_gene +_entity_src_gen.pdbx_host_org_organ +_entity_src_gen.host_org_species +_entity_src_gen.pdbx_host_org_tissue +_entity_src_gen.pdbx_host_org_tissue_fraction +_entity_src_gen.pdbx_host_org_strain +_entity_src_gen.pdbx_host_org_variant +_entity_src_gen.pdbx_host_org_cell_line +_entity_src_gen.pdbx_host_org_atcc +_entity_src_gen.pdbx_host_org_culture_collection +_entity_src_gen.pdbx_host_org_cell +_entity_src_gen.pdbx_host_org_organelle +_entity_src_gen.pdbx_host_org_cellular_location +_entity_src_gen.pdbx_host_org_vector_type +_entity_src_gen.pdbx_host_org_vector +_entity_src_gen.host_org_details +_entity_src_gen.expression_system_id +_entity_src_gen.plasmid_name +_entity_src_gen.plasmid_details +_entity_src_gen.pdbx_description +1 1 sample 'Biological sequence' 1 141 Human Homo 'HBA1, HBA2' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +? ? ? ? ? ? ? ? ? ? ? ? ? +2 1 sample 'Biological sequence' 1 146 Human Homo HBB ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? +? ? ? ? ? ? ? ? ? ? ? ? ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HEM non-polymer . 'PROTOPORPHYRIN IX CONTAINING FE' HEME 'C34 H32 Fe N4 O4' 616.487 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PO4 non-polymer . 'PHOSPHATE ION' ? 'O4 P -3' 94.971 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 VAL 1 1 1 VAL VAL A . n +A 1 2 LEU 2 2 2 LEU LEU A . n +A 1 3 SER 3 3 3 SER SER A . n +A 1 4 PRO 4 4 4 PRO PRO A . n +A 1 5 ALA 5 5 5 ALA ALA A . n +A 1 6 ASP 6 6 6 ASP ASP A . n +A 1 7 LYS 7 7 7 LYS LYS A . n +A 1 8 THR 8 8 8 THR THR A . n +A 1 9 ASN 9 9 9 ASN ASN A . n +A 1 10 VAL 10 10 10 VAL VAL A . n +A 1 11 LYS 11 11 11 LYS LYS A . n +A 1 12 ALA 12 12 12 ALA ALA A . n +A 1 13 ALA 13 13 13 ALA ALA A . n +A 1 14 TRP 14 14 14 TRP TRP A . n +A 1 15 GLY 15 15 15 GLY GLY A . n +A 1 16 LYS 16 16 16 LYS LYS A . n +A 1 17 VAL 17 17 17 VAL VAL A . n +A 1 18 GLY 18 18 18 GLY GLY A . n +A 1 19 ALA 19 19 19 ALA ALA A . n +A 1 20 HIS 20 20 20 HIS HIS A . n +A 1 21 ALA 21 21 21 ALA ALA A . n +A 1 22 GLY 22 22 22 GLY GLY A . n +A 1 23 GLU 23 23 23 GLU GLU A . n +A 1 24 TYR 24 24 24 TYR TYR A . n +A 1 25 GLY 25 25 25 GLY GLY A . n +A 1 26 ALA 26 26 26 ALA ALA A . n +A 1 27 GLU 27 27 27 GLU GLU A . n +A 1 28 ALA 28 28 28 ALA ALA A . n +A 1 29 LEU 29 29 29 LEU LEU A . n +A 1 30 GLU 30 30 30 GLU GLU A . n +A 1 31 ARG 31 31 31 ARG ARG A . n +A 1 32 MET 32 32 32 MET MET A . n +A 1 33 PHE 33 33 33 PHE PHE A . n +A 1 34 LEU 34 34 34 LEU LEU A . n +A 1 35 SER 35 35 35 SER SER A . n +A 1 36 PHE 36 36 36 PHE PHE A . n +A 1 37 PRO 37 37 37 PRO PRO A . n +A 1 38 THR 38 38 38 THR THR A . n +A 1 39 THR 39 39 39 THR THR A . n +A 1 40 LYS 40 40 40 LYS LYS A . n +A 1 41 THR 41 41 41 THR THR A . n +A 1 42 TYR 42 42 42 TYR TYR A . n +A 1 43 PHE 43 43 43 PHE PHE A . n +A 1 44 PRO 44 44 44 PRO PRO A . n +A 1 45 HIS 45 45 45 HIS HIS A . n +A 1 46 PHE 46 46 46 PHE PHE A . n +A 1 47 ASP 47 47 47 ASP ASP A . n +A 1 48 LEU 48 48 48 LEU LEU A . n +A 1 49 SER 49 49 49 SER SER A . n +A 1 50 HIS 50 50 50 HIS HIS A . n +A 1 51 GLY 51 51 51 GLY GLY A . n +A 1 52 SER 52 52 52 SER SER A . n +A 1 53 ALA 53 53 53 ALA ALA A . n +A 1 54 GLN 54 54 54 GLN GLN A . n +A 1 55 VAL 55 55 55 VAL VAL A . n +A 1 56 LYS 56 56 56 LYS LYS A . n +A 1 57 GLY 57 57 57 GLY GLY A . n +A 1 58 HIS 58 58 58 HIS HIS A . n +A 1 59 GLY 59 59 59 GLY GLY A . n +A 1 60 LYS 60 60 60 LYS LYS A . n +A 1 61 LYS 61 61 61 LYS LYS A . n +A 1 62 VAL 62 62 62 VAL VAL A . n +A 1 63 ALA 63 63 63 ALA ALA A . n +A 1 64 ASP 64 64 64 ASP ASP A . n +A 1 65 ALA 65 65 65 ALA ALA A . n +A 1 66 LEU 66 66 66 LEU LEU A . n +A 1 67 THR 67 67 67 THR THR A . n +A 1 68 ASN 68 68 68 ASN ASN A . n +A 1 69 ALA 69 69 69 ALA ALA A . n +A 1 70 VAL 70 70 70 VAL VAL A . n +A 1 71 ALA 71 71 71 ALA ALA A . n +A 1 72 HIS 72 72 72 HIS HIS A . n +A 1 73 VAL 73 73 73 VAL VAL A . n +A 1 74 ASP 74 74 74 ASP ASP A . n +A 1 75 ASP 75 75 75 ASP ASP A . n +A 1 76 MET 76 76 76 MET MET A . n +A 1 77 PRO 77 77 77 PRO PRO A . n +A 1 78 ASN 78 78 78 ASN ASN A . n +A 1 79 ALA 79 79 79 ALA ALA A . n +A 1 80 LEU 80 80 80 LEU LEU A . n +A 1 81 SER 81 81 81 SER SER A . n +A 1 82 ALA 82 82 82 ALA ALA A . n +A 1 83 LEU 83 83 83 LEU LEU A . n +A 1 84 SER 84 84 84 SER SER A . n +A 1 85 ASP 85 85 85 ASP ASP A . n +A 1 86 LEU 86 86 86 LEU LEU A . n +A 1 87 HIS 87 87 87 HIS HIS A . n +A 1 88 ALA 88 88 88 ALA ALA A . n +A 1 89 HIS 89 89 89 HIS HIS A . n +A 1 90 LYS 90 90 90 LYS LYS A . n +A 1 91 LEU 91 91 91 LEU LEU A . n +A 1 92 ARG 92 92 92 ARG ARG A . n +A 1 93 VAL 93 93 93 VAL VAL A . n +A 1 94 ASP 94 94 94 ASP ASP A . n +A 1 95 PRO 95 95 95 PRO PRO A . n +A 1 96 VAL 96 96 96 VAL VAL A . n +A 1 97 ASN 97 97 97 ASN ASN A . n +A 1 98 PHE 98 98 98 PHE PHE A . n +A 1 99 LYS 99 99 99 LYS LYS A . n +A 1 100 LEU 100 100 100 LEU LEU A . n +A 1 101 LEU 101 101 101 LEU LEU A . n +A 1 102 SER 102 102 102 SER SER A . n +A 1 103 HIS 103 103 103 HIS HIS A . n +A 1 104 CYS 104 104 104 CYS CYS A . n +A 1 105 LEU 105 105 105 LEU LEU A . n +A 1 106 LEU 106 106 106 LEU LEU A . n +A 1 107 VAL 107 107 107 VAL VAL A . n +A 1 108 THR 108 108 108 THR THR A . n +A 1 109 LEU 109 109 109 LEU LEU A . n +A 1 110 ALA 110 110 110 ALA ALA A . n +A 1 111 ALA 111 111 111 ALA ALA A . n +A 1 112 HIS 112 112 112 HIS HIS A . n +A 1 113 LEU 113 113 113 LEU LEU A . n +A 1 114 PRO 114 114 114 PRO PRO A . n +A 1 115 ALA 115 115 115 ALA ALA A . n +A 1 116 GLU 116 116 116 GLU GLU A . n +A 1 117 PHE 117 117 117 PHE PHE A . n +A 1 118 THR 118 118 118 THR THR A . n +A 1 119 PRO 119 119 119 PRO PRO A . n +A 1 120 ALA 120 120 120 ALA ALA A . n +A 1 121 VAL 121 121 121 VAL VAL A . n +A 1 122 HIS 122 122 122 HIS HIS A . n +A 1 123 ALA 123 123 123 ALA ALA A . n +A 1 124 SER 124 124 124 SER SER A . n +A 1 125 LEU 125 125 125 LEU LEU A . n +A 1 126 ASP 126 126 126 ASP ASP A . n +A 1 127 LYS 127 127 127 LYS LYS A . n +A 1 128 PHE 128 128 128 PHE PHE A . n +A 1 129 LEU 129 129 129 LEU LEU A . n +A 1 130 ALA 130 130 130 ALA ALA A . n +A 1 131 SER 131 131 131 SER SER A . n +A 1 132 VAL 132 132 132 VAL VAL A . n +A 1 133 SER 133 133 133 SER SER A . n +A 1 134 THR 134 134 134 THR THR A . n +A 1 135 VAL 135 135 135 VAL VAL A . n +A 1 136 LEU 136 136 136 LEU LEU A . n +A 1 137 THR 137 137 137 THR THR A . n +A 1 138 SER 138 138 138 SER SER A . n +A 1 139 LYS 139 139 139 LYS LYS A . n +A 1 140 TYR 140 140 140 TYR TYR A . n +A 1 141 ARG 141 141 141 ARG ARG A . n +B 2 1 VAL 1 1 1 VAL VAL B . n +B 2 2 HIS 2 2 2 HIS HIS B . n +B 2 3 LEU 3 3 3 LEU LEU B . n +B 2 4 THR 4 4 4 THR THR B . n +B 2 5 PRO 5 5 5 PRO PRO B . n +B 2 6 GLU 6 6 6 GLU GLU B . n +B 2 7 GLU 7 7 7 GLU GLU B . n +B 2 8 LYS 8 8 8 LYS LYS B . n +B 2 9 SER 9 9 9 SER SER B . n +B 2 10 ALA 10 10 10 ALA ALA B . n +B 2 11 VAL 11 11 11 VAL VAL B . n +B 2 12 THR 12 12 12 THR THR B . n +B 2 13 ALA 13 13 13 ALA ALA B . n +B 2 14 LEU 14 14 14 LEU LEU B . n +B 2 15 TRP 15 15 15 TRP TRP B . n +B 2 16 GLY 16 16 16 GLY GLY B . n +B 2 17 LYS 17 17 17 LYS LYS B . n +B 2 18 VAL 18 18 18 VAL VAL B . n +B 2 19 ASN 19 19 19 ASN ASN B . n +B 2 20 VAL 20 20 20 VAL VAL B . n +B 2 21 ASP 21 21 21 ASP ASP B . n +B 2 22 GLU 22 22 22 GLU GLU B . n +B 2 23 VAL 23 23 23 VAL VAL B . n +B 2 24 GLY 24 24 24 GLY GLY B . n +B 2 25 GLY 25 25 25 GLY GLY B . n +B 2 26 GLU 26 26 26 GLU GLU B . n +B 2 27 ALA 27 27 27 ALA ALA B . n +B 2 28 LEU 28 28 28 LEU LEU B . n +B 2 29 GLY 29 29 29 GLY GLY B . n +B 2 30 ARG 30 30 30 ARG ARG B . n +B 2 31 LEU 31 31 31 LEU LEU B . n +B 2 32 LEU 32 32 32 LEU LEU B . n +B 2 33 VAL 33 33 33 VAL VAL B . n +B 2 34 VAL 34 34 34 VAL VAL B . n +B 2 35 TYR 35 35 35 TYR TYR B . n +B 2 36 PRO 36 36 36 PRO PRO B . n +B 2 37 TRP 37 37 37 TRP TRP B . n +B 2 38 THR 38 38 38 THR THR B . n +B 2 39 GLN 39 39 39 GLN GLN B . n +B 2 40 ARG 40 40 40 ARG ARG B . n +B 2 41 PHE 41 41 41 PHE PHE B . n +B 2 42 PHE 42 42 42 PHE PHE B . n +B 2 43 GLU 43 43 43 GLU GLU B . n +B 2 44 SER 44 44 44 SER SER B . n +B 2 45 PHE 45 45 45 PHE PHE B . n +B 2 46 GLY 46 46 46 GLY GLY B . n +B 2 47 ASP 47 47 47 ASP ASP B . n +B 2 48 LEU 48 48 48 LEU LEU B . n +B 2 49 SER 49 49 49 SER SER B . n +B 2 50 THR 50 50 50 THR THR B . n +B 2 51 PRO 51 51 51 PRO PRO B . n +B 2 52 ASP 52 52 52 ASP ASP B . n +B 2 53 ALA 53 53 53 ALA ALA B . n +B 2 54 VAL 54 54 54 VAL VAL B . n +B 2 55 MET 55 55 55 MET MET B . n +B 2 56 GLY 56 56 56 GLY GLY B . n +B 2 57 ASN 57 57 57 ASN ASN B . n +B 2 58 PRO 58 58 58 PRO PRO B . n +B 2 59 LYS 59 59 59 LYS LYS B . n +B 2 60 VAL 60 60 60 VAL VAL B . n +B 2 61 LYS 61 61 61 LYS LYS B . n +B 2 62 ALA 62 62 62 ALA ALA B . n +B 2 63 HIS 63 63 63 HIS HIS B . n +B 2 64 GLY 64 64 64 GLY GLY B . n +B 2 65 LYS 65 65 65 LYS LYS B . n +B 2 66 LYS 66 66 66 LYS LYS B . n +B 2 67 VAL 67 67 67 VAL VAL B . n +B 2 68 LEU 68 68 68 LEU LEU B . n +B 2 69 GLY 69 69 69 GLY GLY B . n +B 2 70 ALA 70 70 70 ALA ALA B . n +B 2 71 PHE 71 71 71 PHE PHE B . n +B 2 72 SER 72 72 72 SER SER B . n +B 2 73 ASP 73 73 73 ASP ASP B . n +B 2 74 GLY 74 74 74 GLY GLY B . n +B 2 75 LEU 75 75 75 LEU LEU B . n +B 2 76 ALA 76 76 76 ALA ALA B . n +B 2 77 HIS 77 77 77 HIS HIS B . n +B 2 78 LEU 78 78 78 LEU LEU B . n +B 2 79 ASP 79 79 79 ASP ASP B . n +B 2 80 ASN 80 80 80 ASN ASN B . n +B 2 81 LEU 81 81 81 LEU LEU B . n +B 2 82 LYS 82 82 82 LYS LYS B . n +B 2 83 GLY 83 83 83 GLY GLY B . n +B 2 84 THR 84 84 84 THR THR B . n +B 2 85 PHE 85 85 85 PHE PHE B . n +B 2 86 ALA 86 86 86 ALA ALA B . n +B 2 87 THR 87 87 87 THR THR B . n +B 2 88 LEU 88 88 88 LEU LEU B . n +B 2 89 SER 89 89 89 SER SER B . n +B 2 90 GLU 90 90 90 GLU GLU B . n +B 2 91 LEU 91 91 91 LEU LEU B . n +B 2 92 HIS 92 92 92 HIS HIS B . n +B 2 93 CYS 93 93 93 CYS CYS B . n +B 2 94 ASP 94 94 94 ASP ASP B . n +B 2 95 LYS 95 95 95 LYS LYS B . n +B 2 96 LEU 96 96 96 LEU LEU B . n +B 2 97 HIS 97 97 97 HIS HIS B . n +B 2 98 VAL 98 98 98 VAL VAL B . n +B 2 99 ASP 99 99 99 ASP ASP B . n +B 2 100 PRO 100 100 100 PRO PRO B . n +B 2 101 GLU 101 101 101 GLU GLU B . n +B 2 102 ASN 102 102 102 ASN ASN B . n +B 2 103 PHE 103 103 103 PHE PHE B . n +B 2 104 ARG 104 104 104 ARG ARG B . n +B 2 105 LEU 105 105 105 LEU LEU B . n +B 2 106 LEU 106 106 106 LEU LEU B . n +B 2 107 GLY 107 107 107 GLY GLY B . n +B 2 108 ASN 108 108 108 ASN ASN B . n +B 2 109 VAL 109 109 109 VAL VAL B . n +B 2 110 LEU 110 110 110 LEU LEU B . n +B 2 111 VAL 111 111 111 VAL VAL B . n +B 2 112 CYS 112 112 112 CYS CYS B . n +B 2 113 VAL 113 113 113 VAL VAL B . n +B 2 114 LEU 114 114 114 LEU LEU B . n +B 2 115 ALA 115 115 115 ALA ALA B . n +B 2 116 HIS 116 116 116 HIS HIS B . n +B 2 117 HIS 117 117 117 HIS HIS B . n +B 2 118 PHE 118 118 118 PHE PHE B . n +B 2 119 GLY 119 119 119 GLY GLY B . n +B 2 120 LYS 120 120 120 LYS LYS B . n +B 2 121 GLU 121 121 121 GLU GLU B . n +B 2 122 PHE 122 122 122 PHE PHE B . n +B 2 123 THR 123 123 123 THR THR B . n +B 2 124 PRO 124 124 124 PRO PRO B . n +B 2 125 PRO 125 125 125 PRO PRO B . n +B 2 126 VAL 126 126 126 VAL VAL B . n +B 2 127 GLN 127 127 127 GLN GLN B . n +B 2 128 ALA 128 128 128 ALA ALA B . n +B 2 129 ALA 129 129 129 ALA ALA B . n +B 2 130 TYR 130 130 130 TYR TYR B . n +B 2 131 GLN 131 131 131 GLN GLN B . n +B 2 132 LYS 132 132 132 LYS LYS B . n +B 2 133 VAL 133 133 133 VAL VAL B . n +B 2 134 VAL 134 134 134 VAL VAL B . n +B 2 135 ALA 135 135 135 ALA ALA B . n +B 2 136 GLY 136 136 136 GLY GLY B . n +B 2 137 VAL 137 137 137 VAL VAL B . n +B 2 138 ALA 138 138 138 ALA ALA B . n +B 2 139 ASN 139 139 139 ASN ASN B . n +B 2 140 ALA 140 140 140 ALA ALA B . n +B 2 141 LEU 141 141 141 LEU LEU B . n +B 2 142 ALA 142 142 142 ALA ALA B . n +B 2 143 HIS 143 143 143 HIS HIS B . n +B 2 144 LYS 144 144 144 LYS LYS B . n +B 2 145 TYR 145 145 145 TYR TYR B . n +B 2 146 HIS 146 146 146 HIS HIS B . n +C 1 1 VAL 1 1 1 VAL VAL C . n +C 1 2 LEU 2 2 2 LEU LEU C . n +C 1 3 SER 3 3 3 SER SER C . n +C 1 4 PRO 4 4 4 PRO PRO C . n +C 1 5 ALA 5 5 5 ALA ALA C . n +C 1 6 ASP 6 6 6 ASP ASP C . n +C 1 7 LYS 7 7 7 LYS LYS C . n +C 1 8 THR 8 8 8 THR THR C . n +C 1 9 ASN 9 9 9 ASN ASN C . n +C 1 10 VAL 10 10 10 VAL VAL C . n +C 1 11 LYS 11 11 11 LYS LYS C . n +C 1 12 ALA 12 12 12 ALA ALA C . n +C 1 13 ALA 13 13 13 ALA ALA C . n +C 1 14 TRP 14 14 14 TRP TRP C . n +C 1 15 GLY 15 15 15 GLY GLY C . n +C 1 16 LYS 16 16 16 LYS LYS C . n +C 1 17 VAL 17 17 17 VAL VAL C . n +C 1 18 GLY 18 18 18 GLY GLY C . n +C 1 19 ALA 19 19 19 ALA ALA C . n +C 1 20 HIS 20 20 20 HIS HIS C . n +C 1 21 ALA 21 21 21 ALA ALA C . n +C 1 22 GLY 22 22 22 GLY GLY C . n +C 1 23 GLU 23 23 23 GLU GLU C . n +C 1 24 TYR 24 24 24 TYR TYR C . n +C 1 25 GLY 25 25 25 GLY GLY C . n +C 1 26 ALA 26 26 26 ALA ALA C . n +C 1 27 GLU 27 27 27 GLU GLU C . n +C 1 28 ALA 28 28 28 ALA ALA C . n +C 1 29 LEU 29 29 29 LEU LEU C . n +C 1 30 GLU 30 30 30 GLU GLU C . n +C 1 31 ARG 31 31 31 ARG ARG C . n +C 1 32 MET 32 32 32 MET MET C . n +C 1 33 PHE 33 33 33 PHE PHE C . n +C 1 34 LEU 34 34 34 LEU LEU C . n +C 1 35 SER 35 35 35 SER SER C . n +C 1 36 PHE 36 36 36 PHE PHE C . n +C 1 37 PRO 37 37 37 PRO PRO C . n +C 1 38 THR 38 38 38 THR THR C . n +C 1 39 THR 39 39 39 THR THR C . n +C 1 40 LYS 40 40 40 LYS LYS C . n +C 1 41 THR 41 41 41 THR THR C . n +C 1 42 TYR 42 42 42 TYR TYR C . n +C 1 43 PHE 43 43 43 PHE PHE C . n +C 1 44 PRO 44 44 44 PRO PRO C . n +C 1 45 HIS 45 45 45 HIS HIS C . n +C 1 46 PHE 46 46 46 PHE PHE C . n +C 1 47 ASP 47 47 47 ASP ASP C . n +C 1 48 LEU 48 48 48 LEU LEU C . n +C 1 49 SER 49 49 49 SER SER C . n +C 1 50 HIS 50 50 50 HIS HIS C . n +C 1 51 GLY 51 51 51 GLY GLY C . n +C 1 52 SER 52 52 52 SER SER C . n +C 1 53 ALA 53 53 53 ALA ALA C . n +C 1 54 GLN 54 54 54 GLN GLN C . n +C 1 55 VAL 55 55 55 VAL VAL C . n +C 1 56 LYS 56 56 56 LYS LYS C . n +C 1 57 GLY 57 57 57 GLY GLY C . n +C 1 58 HIS 58 58 58 HIS HIS C . n +C 1 59 GLY 59 59 59 GLY GLY C . n +C 1 60 LYS 60 60 60 LYS LYS C . n +C 1 61 LYS 61 61 61 LYS LYS C . n +C 1 62 VAL 62 62 62 VAL VAL C . n +C 1 63 ALA 63 63 63 ALA ALA C . n +C 1 64 ASP 64 64 64 ASP ASP C . n +C 1 65 ALA 65 65 65 ALA ALA C . n +C 1 66 LEU 66 66 66 LEU LEU C . n +C 1 67 THR 67 67 67 THR THR C . n +C 1 68 ASN 68 68 68 ASN ASN C . n +C 1 69 ALA 69 69 69 ALA ALA C . n +C 1 70 VAL 70 70 70 VAL VAL C . n +C 1 71 ALA 71 71 71 ALA ALA C . n +C 1 72 HIS 72 72 72 HIS HIS C . n +C 1 73 VAL 73 73 73 VAL VAL C . n +C 1 74 ASP 74 74 74 ASP ASP C . n +C 1 75 ASP 75 75 75 ASP ASP C . n +C 1 76 MET 76 76 76 MET MET C . n +C 1 77 PRO 77 77 77 PRO PRO C . n +C 1 78 ASN 78 78 78 ASN ASN C . n +C 1 79 ALA 79 79 79 ALA ALA C . n +C 1 80 LEU 80 80 80 LEU LEU C . n +C 1 81 SER 81 81 81 SER SER C . n +C 1 82 ALA 82 82 82 ALA ALA C . n +C 1 83 LEU 83 83 83 LEU LEU C . n +C 1 84 SER 84 84 84 SER SER C . n +C 1 85 ASP 85 85 85 ASP ASP C . n +C 1 86 LEU 86 86 86 LEU LEU C . n +C 1 87 HIS 87 87 87 HIS HIS C . n +C 1 88 ALA 88 88 88 ALA ALA C . n +C 1 89 HIS 89 89 89 HIS HIS C . n +C 1 90 LYS 90 90 90 LYS LYS C . n +C 1 91 LEU 91 91 91 LEU LEU C . n +C 1 92 ARG 92 92 92 ARG ARG C . n +C 1 93 VAL 93 93 93 VAL VAL C . n +C 1 94 ASP 94 94 94 ASP ASP C . n +C 1 95 PRO 95 95 95 PRO PRO C . n +C 1 96 VAL 96 96 96 VAL VAL C . n +C 1 97 ASN 97 97 97 ASN ASN C . n +C 1 98 PHE 98 98 98 PHE PHE C . n +C 1 99 LYS 99 99 99 LYS LYS C . n +C 1 100 LEU 100 100 100 LEU LEU C . n +C 1 101 LEU 101 101 101 LEU LEU C . n +C 1 102 SER 102 102 102 SER SER C . n +C 1 103 HIS 103 103 103 HIS HIS C . n +C 1 104 CYS 104 104 104 CYS CYS C . n +C 1 105 LEU 105 105 105 LEU LEU C . n +C 1 106 LEU 106 106 106 LEU LEU C . n +C 1 107 VAL 107 107 107 VAL VAL C . n +C 1 108 THR 108 108 108 THR THR C . n +C 1 109 LEU 109 109 109 LEU LEU C . n +C 1 110 ALA 110 110 110 ALA ALA C . n +C 1 111 ALA 111 111 111 ALA ALA C . n +C 1 112 HIS 112 112 112 HIS HIS C . n +C 1 113 LEU 113 113 113 LEU LEU C . n +C 1 114 PRO 114 114 114 PRO PRO C . n +C 1 115 ALA 115 115 115 ALA ALA C . n +C 1 116 GLU 116 116 116 GLU GLU C . n +C 1 117 PHE 117 117 117 PHE PHE C . n +C 1 118 THR 118 118 118 THR THR C . n +C 1 119 PRO 119 119 119 PRO PRO C . n +C 1 120 ALA 120 120 120 ALA ALA C . n +C 1 121 VAL 121 121 121 VAL VAL C . n +C 1 122 HIS 122 122 122 HIS HIS C . n +C 1 123 ALA 123 123 123 ALA ALA C . n +C 1 124 SER 124 124 124 SER SER C . n +C 1 125 LEU 125 125 125 LEU LEU C . n +C 1 126 ASP 126 126 126 ASP ASP C . n +C 1 127 LYS 127 127 127 LYS LYS C . n +C 1 128 PHE 128 128 128 PHE PHE C . n +C 1 129 LEU 129 129 129 LEU LEU C . n +C 1 130 ALA 130 130 130 ALA ALA C . n +C 1 131 SER 131 131 131 SER SER C . n +C 1 132 VAL 132 132 132 VAL VAL C . n +C 1 133 SER 133 133 133 SER SER C . n +C 1 134 THR 134 134 134 THR THR C . n +C 1 135 VAL 135 135 135 VAL VAL C . n +C 1 136 LEU 136 136 136 LEU LEU C . n +C 1 137 THR 137 137 137 THR THR C . n +C 1 138 SER 138 138 138 SER SER C . n +C 1 139 LYS 139 139 139 LYS LYS C . n +C 1 140 TYR 140 140 140 TYR TYR C . n +C 1 141 ARG 141 141 141 ARG ARG C . n +D 2 1 VAL 1 1 1 VAL VAL D . n +D 2 2 HIS 2 2 2 HIS HIS D . n +D 2 3 LEU 3 3 3 LEU LEU D . n +D 2 4 THR 4 4 4 THR THR D . n +D 2 5 PRO 5 5 5 PRO PRO D . n +D 2 6 GLU 6 6 6 GLU GLU D . n +D 2 7 GLU 7 7 7 GLU GLU D . n +D 2 8 LYS 8 8 8 LYS LYS D . n +D 2 9 SER 9 9 9 SER SER D . n +D 2 10 ALA 10 10 10 ALA ALA D . n +D 2 11 VAL 11 11 11 VAL VAL D . n +D 2 12 THR 12 12 12 THR THR D . n +D 2 13 ALA 13 13 13 ALA ALA D . n +D 2 14 LEU 14 14 14 LEU LEU D . n +D 2 15 TRP 15 15 15 TRP TRP D . n +D 2 16 GLY 16 16 16 GLY GLY D . n +D 2 17 LYS 17 17 17 LYS LYS D . n +D 2 18 VAL 18 18 18 VAL VAL D . n +D 2 19 ASN 19 19 19 ASN ASN D . n +D 2 20 VAL 20 20 20 VAL VAL D . n +D 2 21 ASP 21 21 21 ASP ASP D . n +D 2 22 GLU 22 22 22 GLU GLU D . n +D 2 23 VAL 23 23 23 VAL VAL D . n +D 2 24 GLY 24 24 24 GLY GLY D . n +D 2 25 GLY 25 25 25 GLY GLY D . n +D 2 26 GLU 26 26 26 GLU GLU D . n +D 2 27 ALA 27 27 27 ALA ALA D . n +D 2 28 LEU 28 28 28 LEU LEU D . n +D 2 29 GLY 29 29 29 GLY GLY D . n +D 2 30 ARG 30 30 30 ARG ARG D . n +D 2 31 LEU 31 31 31 LEU LEU D . n +D 2 32 LEU 32 32 32 LEU LEU D . n +D 2 33 VAL 33 33 33 VAL VAL D . n +D 2 34 VAL 34 34 34 VAL VAL D . n +D 2 35 TYR 35 35 35 TYR TYR D . n +D 2 36 PRO 36 36 36 PRO PRO D . n +D 2 37 TRP 37 37 37 TRP TRP D . n +D 2 38 THR 38 38 38 THR THR D . n +D 2 39 GLN 39 39 39 GLN GLN D . n +D 2 40 ARG 40 40 40 ARG ARG D . n +D 2 41 PHE 41 41 41 PHE PHE D . n +D 2 42 PHE 42 42 42 PHE PHE D . n +D 2 43 GLU 43 43 43 GLU GLU D . n +D 2 44 SER 44 44 44 SER SER D . n +D 2 45 PHE 45 45 45 PHE PHE D . n +D 2 46 GLY 46 46 46 GLY GLY D . n +D 2 47 ASP 47 47 47 ASP ASP D . n +D 2 48 LEU 48 48 48 LEU LEU D . n +D 2 49 SER 49 49 49 SER SER D . n +D 2 50 THR 50 50 50 THR THR D . n +D 2 51 PRO 51 51 51 PRO PRO D . n +D 2 52 ASP 52 52 52 ASP ASP D . n +D 2 53 ALA 53 53 53 ALA ALA D . n +D 2 54 VAL 54 54 54 VAL VAL D . n +D 2 55 MET 55 55 55 MET MET D . n +D 2 56 GLY 56 56 56 GLY GLY D . n +D 2 57 ASN 57 57 57 ASN ASN D . n +D 2 58 PRO 58 58 58 PRO PRO D . n +D 2 59 LYS 59 59 59 LYS LYS D . n +D 2 60 VAL 60 60 60 VAL VAL D . n +D 2 61 LYS 61 61 61 LYS LYS D . n +D 2 62 ALA 62 62 62 ALA ALA D . n +D 2 63 HIS 63 63 63 HIS HIS D . n +D 2 64 GLY 64 64 64 GLY GLY D . n +D 2 65 LYS 65 65 65 LYS LYS D . n +D 2 66 LYS 66 66 66 LYS LYS D . n +D 2 67 VAL 67 67 67 VAL VAL D . n +D 2 68 LEU 68 68 68 LEU LEU D . n +D 2 69 GLY 69 69 69 GLY GLY D . n +D 2 70 ALA 70 70 70 ALA ALA D . n +D 2 71 PHE 71 71 71 PHE PHE D . n +D 2 72 SER 72 72 72 SER SER D . n +D 2 73 ASP 73 73 73 ASP ASP D . n +D 2 74 GLY 74 74 74 GLY GLY D . n +D 2 75 LEU 75 75 75 LEU LEU D . n +D 2 76 ALA 76 76 76 ALA ALA D . n +D 2 77 HIS 77 77 77 HIS HIS D . n +D 2 78 LEU 78 78 78 LEU LEU D . n +D 2 79 ASP 79 79 79 ASP ASP D . n +D 2 80 ASN 80 80 80 ASN ASN D . n +D 2 81 LEU 81 81 81 LEU LEU D . n +D 2 82 LYS 82 82 82 LYS LYS D . n +D 2 83 GLY 83 83 83 GLY GLY D . n +D 2 84 THR 84 84 84 THR THR D . n +D 2 85 PHE 85 85 85 PHE PHE D . n +D 2 86 ALA 86 86 86 ALA ALA D . n +D 2 87 THR 87 87 87 THR THR D . n +D 2 88 LEU 88 88 88 LEU LEU D . n +D 2 89 SER 89 89 89 SER SER D . n +D 2 90 GLU 90 90 90 GLU GLU D . n +D 2 91 LEU 91 91 91 LEU LEU D . n +D 2 92 HIS 92 92 92 HIS HIS D . n +D 2 93 CYS 93 93 93 CYS CYS D . n +D 2 94 ASP 94 94 94 ASP ASP D . n +D 2 95 LYS 95 95 95 LYS LYS D . n +D 2 96 LEU 96 96 96 LEU LEU D . n +D 2 97 HIS 97 97 97 HIS HIS D . n +D 2 98 VAL 98 98 98 VAL VAL D . n +D 2 99 ASP 99 99 99 ASP ASP D . n +D 2 100 PRO 100 100 100 PRO PRO D . n +D 2 101 GLU 101 101 101 GLU GLU D . n +D 2 102 ASN 102 102 102 ASN ASN D . n +D 2 103 PHE 103 103 103 PHE PHE D . n +D 2 104 ARG 104 104 104 ARG ARG D . n +D 2 105 LEU 105 105 105 LEU LEU D . n +D 2 106 LEU 106 106 106 LEU LEU D . n +D 2 107 GLY 107 107 107 GLY GLY D . n +D 2 108 ASN 108 108 108 ASN ASN D . n +D 2 109 VAL 109 109 109 VAL VAL D . n +D 2 110 LEU 110 110 110 LEU LEU D . n +D 2 111 VAL 111 111 111 VAL VAL D . n +D 2 112 CYS 112 112 112 CYS CYS D . n +D 2 113 VAL 113 113 113 VAL VAL D . n +D 2 114 LEU 114 114 114 LEU LEU D . n +D 2 115 ALA 115 115 115 ALA ALA D . n +D 2 116 HIS 116 116 116 HIS HIS D . n +D 2 117 HIS 117 117 117 HIS HIS D . n +D 2 118 PHE 118 118 118 PHE PHE D . n +D 2 119 GLY 119 119 119 GLY GLY D . n +D 2 120 LYS 120 120 120 LYS LYS D . n +D 2 121 GLU 121 121 121 GLU GLU D . n +D 2 122 PHE 122 122 122 PHE PHE D . n +D 2 123 THR 123 123 123 THR THR D . n +D 2 124 PRO 124 124 124 PRO PRO D . n +D 2 125 PRO 125 125 125 PRO PRO D . n +D 2 126 VAL 126 126 126 VAL VAL D . n +D 2 127 GLN 127 127 127 GLN GLN D . n +D 2 128 ALA 128 128 128 ALA ALA D . n +D 2 129 ALA 129 129 129 ALA ALA D . n +D 2 130 TYR 130 130 130 TYR TYR D . n +D 2 131 GLN 131 131 131 GLN GLN D . n +D 2 132 LYS 132 132 132 LYS LYS D . n +D 2 133 VAL 133 133 133 VAL VAL D . n +D 2 134 VAL 134 134 134 VAL VAL D . n +D 2 135 ALA 135 135 135 ALA ALA D . n +D 2 136 GLY 136 136 136 GLY GLY D . n +D 2 137 VAL 137 137 137 VAL VAL D . n +D 2 138 ALA 138 138 138 ALA ALA D . n +D 2 139 ASN 139 139 139 ASN ASN D . n +D 2 140 ALA 140 140 140 ALA ALA D . n +D 2 141 LEU 141 141 141 LEU LEU D . n +D 2 142 ALA 142 142 142 ALA ALA D . n +D 2 143 HIS 143 143 143 HIS HIS D . n +D 2 144 LYS 144 144 144 LYS LYS D . n +D 2 145 TYR 145 145 145 TYR TYR D . n +D 2 146 HIS 146 146 146 HIS HIS D . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +E 3 HEM 1 142 1 HEM HEM A . +F 4 PO4 1 147 2 PO4 PO4 B . +G 3 HEM 1 148 1 HEM HEM B . +H 3 HEM 1 142 1 HEM HEM C . +I 4 PO4 1 147 1 PO4 PO4 D . +J 3 HEM 1 148 1 HEM HEM D . +K 5 HOH 1 143 6 HOH HOH A . +K 5 HOH 2 144 9 HOH HOH A . +K 5 HOH 3 145 12 HOH HOH A . +K 5 HOH 4 146 16 HOH HOH A . +K 5 HOH 5 147 17 HOH HOH A . +K 5 HOH 6 148 21 HOH HOH A . +K 5 HOH 7 149 27 HOH HOH A . +K 5 HOH 8 150 29 HOH HOH A . +K 5 HOH 9 151 30 HOH HOH A . +K 5 HOH 10 152 31 HOH HOH A . +K 5 HOH 11 153 38 HOH HOH A . +K 5 HOH 12 154 39 HOH HOH A . +K 5 HOH 13 155 43 HOH HOH A . +K 5 HOH 14 156 44 HOH HOH A . +K 5 HOH 15 157 51 HOH HOH A . +K 5 HOH 16 158 54 HOH HOH A . +K 5 HOH 17 159 59 HOH HOH A . +K 5 HOH 18 160 62 HOH HOH A . +K 5 HOH 19 161 63 HOH HOH A . +K 5 HOH 20 162 66 HOH HOH A . +K 5 HOH 21 163 67 HOH HOH A . +K 5 HOH 22 164 84 HOH HOH A . +K 5 HOH 23 165 86 HOH HOH A . +K 5 HOH 24 166 88 HOH HOH A . +K 5 HOH 25 167 94 HOH HOH A . +K 5 HOH 26 168 102 HOH HOH A . +K 5 HOH 27 169 104 HOH HOH A . +K 5 HOH 28 170 105 HOH HOH A . +K 5 HOH 29 171 124 HOH HOH A . +K 5 HOH 30 172 129 HOH HOH A . +K 5 HOH 31 173 132 HOH HOH A . +K 5 HOH 32 174 133 HOH HOH A . +K 5 HOH 33 175 136 HOH HOH A . +K 5 HOH 34 176 137 HOH HOH A . +K 5 HOH 35 177 139 HOH HOH A . +K 5 HOH 36 178 146 HOH HOH A . +K 5 HOH 37 179 148 HOH HOH A . +K 5 HOH 38 180 154 HOH HOH A . +K 5 HOH 39 181 155 HOH HOH A . +K 5 HOH 40 182 159 HOH HOH A . +K 5 HOH 41 183 160 HOH HOH A . +K 5 HOH 42 184 166 HOH HOH A . +K 5 HOH 43 185 167 HOH HOH A . +K 5 HOH 44 186 173 HOH HOH A . +K 5 HOH 45 187 175 HOH HOH A . +K 5 HOH 46 188 183 HOH HOH A . +K 5 HOH 47 189 213 HOH HOH A . +K 5 HOH 48 190 214 HOH HOH A . +K 5 HOH 49 191 215 HOH HOH A . +K 5 HOH 50 192 216 HOH HOH A . +K 5 HOH 51 193 218 HOH HOH A . +K 5 HOH 52 194 219 HOH HOH A . +K 5 HOH 53 195 220 HOH HOH A . +K 5 HOH 54 196 221 HOH HOH A . +K 5 HOH 55 197 222 HOH HOH A . +K 5 HOH 56 198 223 HOH HOH A . +L 5 HOH 1 149 8 HOH HOH B . +L 5 HOH 2 150 13 HOH HOH B . +L 5 HOH 3 151 15 HOH HOH B . +L 5 HOH 4 152 20 HOH HOH B . +L 5 HOH 5 153 35 HOH HOH B . +L 5 HOH 6 154 36 HOH HOH B . +L 5 HOH 7 155 37 HOH HOH B . +L 5 HOH 8 156 40 HOH HOH B . +L 5 HOH 9 157 47 HOH HOH B . +L 5 HOH 10 158 49 HOH HOH B . +L 5 HOH 11 159 52 HOH HOH B . +L 5 HOH 12 160 53 HOH HOH B . +L 5 HOH 13 161 56 HOH HOH B . +L 5 HOH 14 162 78 HOH HOH B . +L 5 HOH 15 163 80 HOH HOH B . +L 5 HOH 16 164 81 HOH HOH B . +L 5 HOH 17 165 85 HOH HOH B . +L 5 HOH 18 166 89 HOH HOH B . +L 5 HOH 19 167 90 HOH HOH B . +L 5 HOH 20 168 97 HOH HOH B . +L 5 HOH 21 169 98 HOH HOH B . +L 5 HOH 22 170 101 HOH HOH B . +L 5 HOH 23 171 109 HOH HOH B . +L 5 HOH 24 172 110 HOH HOH B . +L 5 HOH 25 173 113 HOH HOH B . +L 5 HOH 26 174 114 HOH HOH B . +L 5 HOH 27 175 116 HOH HOH B . +L 5 HOH 28 176 123 HOH HOH B . +L 5 HOH 29 177 131 HOH HOH B . +L 5 HOH 30 178 134 HOH HOH B . +L 5 HOH 31 179 141 HOH HOH B . +L 5 HOH 32 180 142 HOH HOH B . +L 5 HOH 33 181 143 HOH HOH B . +L 5 HOH 34 182 144 HOH HOH B . +L 5 HOH 35 183 145 HOH HOH B . +L 5 HOH 36 184 149 HOH HOH B . +L 5 HOH 37 185 153 HOH HOH B . +L 5 HOH 38 186 161 HOH HOH B . +L 5 HOH 39 187 162 HOH HOH B . +L 5 HOH 40 188 165 HOH HOH B . +L 5 HOH 41 189 168 HOH HOH B . +L 5 HOH 42 190 171 HOH HOH B . +L 5 HOH 43 191 178 HOH HOH B . +L 5 HOH 44 192 179 HOH HOH B . +L 5 HOH 45 193 200 HOH HOH B . +L 5 HOH 46 194 201 HOH HOH B . +L 5 HOH 47 195 202 HOH HOH B . +L 5 HOH 48 196 203 HOH HOH B . +L 5 HOH 49 197 204 HOH HOH B . +L 5 HOH 50 198 205 HOH HOH B . +L 5 HOH 51 199 206 HOH HOH B . +L 5 HOH 52 200 207 HOH HOH B . +L 5 HOH 53 201 208 HOH HOH B . +L 5 HOH 54 202 209 HOH HOH B . +L 5 HOH 55 203 210 HOH HOH B . +L 5 HOH 56 204 211 HOH HOH B . +L 5 HOH 57 205 212 HOH HOH B . +M 5 HOH 1 143 4 HOH HOH C . +M 5 HOH 2 144 5 HOH HOH C . +M 5 HOH 3 145 10 HOH HOH C . +M 5 HOH 4 146 14 HOH HOH C . +M 5 HOH 5 147 18 HOH HOH C . +M 5 HOH 6 148 19 HOH HOH C . +M 5 HOH 7 149 22 HOH HOH C . +M 5 HOH 8 150 25 HOH HOH C . +M 5 HOH 9 151 26 HOH HOH C . +M 5 HOH 10 152 28 HOH HOH C . +M 5 HOH 11 153 32 HOH HOH C . +M 5 HOH 12 154 33 HOH HOH C . +M 5 HOH 13 155 41 HOH HOH C . +M 5 HOH 14 156 45 HOH HOH C . +M 5 HOH 15 157 48 HOH HOH C . +M 5 HOH 16 158 55 HOH HOH C . +M 5 HOH 17 159 58 HOH HOH C . +M 5 HOH 18 160 64 HOH HOH C . +M 5 HOH 19 161 68 HOH HOH C . +M 5 HOH 20 162 69 HOH HOH C . +M 5 HOH 21 163 70 HOH HOH C . +M 5 HOH 22 164 71 HOH HOH C . +M 5 HOH 23 165 72 HOH HOH C . +M 5 HOH 24 166 74 HOH HOH C . +M 5 HOH 25 167 79 HOH HOH C . +M 5 HOH 26 168 82 HOH HOH C . +M 5 HOH 27 169 83 HOH HOH C . +M 5 HOH 28 170 91 HOH HOH C . +M 5 HOH 29 171 92 HOH HOH C . +M 5 HOH 30 172 96 HOH HOH C . +M 5 HOH 31 173 108 HOH HOH C . +M 5 HOH 32 174 112 HOH HOH C . +M 5 HOH 33 175 115 HOH HOH C . +M 5 HOH 34 176 119 HOH HOH C . +M 5 HOH 35 177 122 HOH HOH C . +M 5 HOH 36 178 125 HOH HOH C . +M 5 HOH 37 179 126 HOH HOH C . +M 5 HOH 38 180 127 HOH HOH C . +M 5 HOH 39 181 135 HOH HOH C . +M 5 HOH 40 182 140 HOH HOH C . +M 5 HOH 41 183 150 HOH HOH C . +M 5 HOH 42 184 151 HOH HOH C . +M 5 HOH 43 185 152 HOH HOH C . +M 5 HOH 44 186 156 HOH HOH C . +M 5 HOH 45 187 164 HOH HOH C . +M 5 HOH 46 188 172 HOH HOH C . +M 5 HOH 47 189 174 HOH HOH C . +M 5 HOH 48 190 177 HOH HOH C . +M 5 HOH 49 191 180 HOH HOH C . +M 5 HOH 50 192 181 HOH HOH C . +M 5 HOH 51 193 184 HOH HOH C . +M 5 HOH 52 194 192 HOH HOH C . +M 5 HOH 53 195 193 HOH HOH C . +M 5 HOH 54 196 194 HOH HOH C . +M 5 HOH 55 197 195 HOH HOH C . +M 5 HOH 56 198 196 HOH HOH C . +M 5 HOH 57 199 197 HOH HOH C . +M 5 HOH 58 200 198 HOH HOH C . +M 5 HOH 59 201 199 HOH HOH C . +N 5 HOH 1 149 3 HOH HOH D . +N 5 HOH 2 150 7 HOH HOH D . +N 5 HOH 3 151 11 HOH HOH D . +N 5 HOH 4 152 23 HOH HOH D . +N 5 HOH 5 153 24 HOH HOH D . +N 5 HOH 6 154 34 HOH HOH D . +N 5 HOH 7 155 42 HOH HOH D . +N 5 HOH 8 156 46 HOH HOH D . +N 5 HOH 9 157 50 HOH HOH D . +N 5 HOH 10 158 57 HOH HOH D . +N 5 HOH 11 159 60 HOH HOH D . +N 5 HOH 12 160 61 HOH HOH D . +N 5 HOH 13 161 65 HOH HOH D . +N 5 HOH 14 162 73 HOH HOH D . +N 5 HOH 15 163 75 HOH HOH D . +N 5 HOH 16 164 76 HOH HOH D . +N 5 HOH 17 165 77 HOH HOH D . +N 5 HOH 18 166 87 HOH HOH D . +N 5 HOH 19 167 93 HOH HOH D . +N 5 HOH 20 168 95 HOH HOH D . +N 5 HOH 21 169 99 HOH HOH D . +N 5 HOH 22 170 100 HOH HOH D . +N 5 HOH 23 171 103 HOH HOH D . +N 5 HOH 24 172 106 HOH HOH D . +N 5 HOH 25 173 107 HOH HOH D . +N 5 HOH 26 174 111 HOH HOH D . +N 5 HOH 27 175 117 HOH HOH D . +N 5 HOH 28 176 118 HOH HOH D . +N 5 HOH 29 177 120 HOH HOH D . +N 5 HOH 30 178 121 HOH HOH D . +N 5 HOH 31 179 128 HOH HOH D . +N 5 HOH 32 180 130 HOH HOH D . +N 5 HOH 33 181 138 HOH HOH D . +N 5 HOH 34 182 147 HOH HOH D . +N 5 HOH 35 183 157 HOH HOH D . +N 5 HOH 36 184 158 HOH HOH D . +N 5 HOH 37 185 163 HOH HOH D . +N 5 HOH 38 186 169 HOH HOH D . +N 5 HOH 39 187 170 HOH HOH D . +N 5 HOH 40 188 176 HOH HOH D . +N 5 HOH 41 189 182 HOH HOH D . +N 5 HOH 42 190 185 HOH HOH D . +N 5 HOH 43 191 186 HOH HOH D . +N 5 HOH 44 192 187 HOH HOH D . +N 5 HOH 45 193 188 HOH HOH D . +N 5 HOH 46 194 189 HOH HOH D . +N 5 HOH 47 195 190 HOH HOH D . +N 5 HOH 48 196 191 HOH HOH D . +N 5 HOH 49 197 217 HOH HOH D . +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 N 1 B PO4 147 ? O1 ? F PO4 1 O1 +2 1 N 1 B PO4 147 ? O2 ? F PO4 1 O2 +3 1 N 1 B PO4 147 ? O3 ? F PO4 1 O3 +4 1 N 1 B PO4 147 ? O4 ? F PO4 1 O4 +5 1 N 1 D PO4 147 ? O1 ? I PO4 1 O1 +6 1 N 1 D PO4 147 ? O2 ? I PO4 1 O2 +7 1 N 1 D PO4 147 ? O3 ? I PO4 1 O3 +8 1 N 1 D PO4 147 ? O4 ? I PO4 1 O4 +# +_cell.entry_id 4HHB +_cell.length_a 63.150 +_cell.length_b 83.590 +_cell.length_c 53.800 +_cell.angle_alpha 90.00 +_cell.angle_beta 99.34 +_cell.angle_gamma 90.00 +_cell.Z_PDB 4 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 4HHB +_symmetry.space_group_name_H-M 'P 1 21 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 4 +# +_exptl.entry_id 4HHB +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number ? +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.26 +_exptl_crystal.density_percent_sol 45.48 +_exptl_crystal.description ? +_exptl_crystal.preparation ? +# +_diffrn.id 1 +_diffrn.crystal_id 1 +_diffrn.ambient_temp ? +_diffrn.ambient_temp_details ? +_diffrn.pdbx_serial_crystal_experiment ? +# +_refine.entry_id 4HHB +_refine.ls_number_reflns_obs ? +_refine.ls_number_reflns_all ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low ? +_refine.ls_d_res_high 1.74 +_refine.ls_percent_reflns_obs ? +_refine.ls_R_factor_obs ? +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.1350000 +_refine.ls_R_factor_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_number_reflns_R_free ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[3][3] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][3] ? +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_ls_cross_valid_method ? +_refine.details +;THE COORDINATES GIVEN HERE ARE IN THE ORTHOGONAL ANGSTROM +SYSTEM STANDARD FOR HEMOGLOBINS. THE Y AXIS IS THE +(NON CRYSTALLOGRAPHIC) MOLECULAR DIAD AND THE X AXIS IS THE +PSEUDO DIAD WHICH RELATES THE ALPHA-1 AND BETA-1 CHAINS. +THE TRANSFORMATION GIVEN IN THE *MTRIX* RECORDS BELOW +WILL GENERATE COORDINATES FOR THE *C* AND *D* CHAINS FROM +THE *A* AND *B* CHAINS RESPECTIVELY. +; +_refine.pdbx_starting_model ? +_refine.pdbx_method_to_determine_struct ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.overall_SU_B ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_overall_phase_error ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 4384 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 174 +_refine_hist.number_atoms_solvent 221 +_refine_hist.number_atoms_total 4779 +_refine_hist.d_res_high 1.74 +_refine_hist.d_res_low . +# +_struct_ncs_oper.id 1 +_struct_ncs_oper.code given +_struct_ncs_oper.details ? +_struct_ncs_oper.matrix[1][1] -0.952899 +_struct_ncs_oper.matrix[1][2] 0.301963 +_struct_ncs_oper.matrix[1][3] -0.028045 +_struct_ncs_oper.vector[1] 17.049680 +_struct_ncs_oper.matrix[2][1] 0.302014 +_struct_ncs_oper.matrix[2][2] 0.936202 +_struct_ncs_oper.matrix[2][3] -0.179824 +_struct_ncs_oper.vector[2] 4.936040 +_struct_ncs_oper.matrix[3][1] -0.028043 +_struct_ncs_oper.matrix[3][2] -0.179784 +_struct_ncs_oper.matrix[3][3] -0.983303 +_struct_ncs_oper.vector[3] 81.782290 +# +_database_PDB_matrix.entry_id 4HHB +_database_PDB_matrix.origx[1][1] 0.985646 +_database_PDB_matrix.origx[1][2] -0.158954 +_database_PDB_matrix.origx[1][3] -0.056388 +_database_PDB_matrix.origx_vector[1] -5.704395 +_database_PDB_matrix.origx[2][1] 0.153472 +_database_PDB_matrix.origx[2][2] 0.983904 +_database_PDB_matrix.origx[2][3] -0.091380 +_database_PDB_matrix.origx_vector[2] -11.435287 +_database_PDB_matrix.origx[3][1] 0.069996 +_database_PDB_matrix.origx[3][2] 0.081402 +_database_PDB_matrix.origx[3][3] 0.994230 +_database_PDB_matrix.origx_vector[3] -41.452811 +# +_struct.entry_id 4HHB +_struct.title 'THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS RESOLUTION' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 4HHB +_struct_keywords.pdbx_keywords 'OXYGEN TRANSPORT' +_struct_keywords.text 'OXYGEN TRANSPORT' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 1 ? +D N N 2 ? +E N N 3 ? +F N N 4 ? +G N N 3 ? +H N N 3 ? +I N N 4 ? +J N N 3 ? +K N N 5 ? +L N N 5 ? +M N N 5 ? +N N N 5 ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +1 UNP HBA_HUMAN P69905 ? 1 +;VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNAL +SALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR +; +2 +2 UNP HBB_HUMAN P68871 ? 2 +;VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDN +LKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH +; +2 +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 4HHB A 1 ? 141 ? P69905 2 ? 142 ? 1 141 +2 2 4HHB B 1 ? 146 ? P68871 2 ? 147 ? 1 146 +3 1 4HHB C 1 ? 141 ? P69905 2 ? 142 ? 1 141 +4 2 4HHB D 1 ? 146 ? P68871 2 ? 147 ? 1 146 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.method_details PISA +_pdbx_struct_assembly.oligomeric_details tetrameric +_pdbx_struct_assembly.oligomeric_count 4 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 11630 ? +1 MORE -98 ? +1 'SSA (A^2)' 24010 ? +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 AA SER A 3 ? GLY A 18 ? SER A 3 GLY A 18 1 ? 16 +HELX_P HELX_P2 AB HIS A 20 ? SER A 35 ? HIS A 20 SER A 35 1 ? 16 +HELX_P HELX_P3 AC PHE A 36 ? TYR A 42 ? PHE A 36 TYR A 42 1 ? 7 +HELX_P HELX_P4 AD HIS A 50 ? GLY A 51 ? HIS A 50 GLY A 51 1 'DEGEN 2 RES HLX RETAIN HOMOL' 2 +HELX_P HELX_P5 AE SER A 52 ? ALA A 71 ? SER A 52 ALA A 71 1 ? 20 +HELX_P HELX_P6 AF LEU A 80 ? ALA A 88 ? LEU A 80 ALA A 88 1 ? 9 +HELX_P HELX_P7 AG ASP A 94 ? HIS A 112 ? ASP A 94 HIS A 112 1 ? 19 +HELX_P HELX_P8 AH THR A 118 ? SER A 138 ? THR A 118 SER A 138 1 ? 21 +HELX_P HELX_P9 BA THR B 4 ? VAL B 18 ? THR B 4 VAL B 18 1 ? 15 +HELX_P HELX_P10 BB ASN B 19 ? VAL B 34 ? ASN B 19 VAL B 34 1 ? 16 +HELX_P HELX_P11 BC TYR B 35 ? PHE B 41 ? TYR B 35 PHE B 41 1 ? 7 +HELX_P HELX_P12 BD THR B 50 ? GLY B 56 ? THR B 50 GLY B 56 1 ? 7 +HELX_P HELX_P13 BE ASN B 57 ? ALA B 76 ? ASN B 57 ALA B 76 1 ? 20 +HELX_P HELX_P14 BF PHE B 85 ? CYS B 93 ? PHE B 85 CYS B 93 1 ? 9 +HELX_P HELX_P15 BG ASP B 99 ? HIS B 117 ? ASP B 99 HIS B 117 1 ? 19 +HELX_P HELX_P16 BH THR B 123 ? HIS B 143 ? THR B 123 HIS B 143 1 ? 21 +HELX_P HELX_P17 CA SER C 3 ? GLY C 18 ? SER C 3 GLY C 18 1 ? 16 +HELX_P HELX_P18 CB HIS C 20 ? SER C 35 ? HIS C 20 SER C 35 1 ? 16 +HELX_P HELX_P19 CC PHE C 36 ? TYR C 42 ? PHE C 36 TYR C 42 1 ? 7 +HELX_P HELX_P20 CD HIS C 50 ? GLY C 51 ? HIS C 50 GLY C 51 1 'DEGEN 2 RES HLX RETAIN HOMOL' 2 +HELX_P HELX_P21 CE SER C 52 ? ALA C 71 ? SER C 52 ALA C 71 1 ? 20 +HELX_P HELX_P22 CF LEU C 80 ? ALA C 88 ? LEU C 80 ALA C 88 1 ? 9 +HELX_P HELX_P23 CG ASP C 94 ? HIS C 112 ? ASP C 94 HIS C 112 1 ? 19 +HELX_P HELX_P24 CH THR C 118 ? SER C 138 ? THR C 118 SER C 138 1 ? 21 +HELX_P HELX_P25 DA THR D 4 ? VAL D 18 ? THR D 4 VAL D 18 1 ? 15 +HELX_P HELX_P26 DB ASN D 19 ? VAL D 34 ? ASN D 19 VAL D 34 1 ? 16 +HELX_P HELX_P27 DC TYR D 35 ? PHE D 41 ? TYR D 35 PHE D 41 1 ? 7 +HELX_P HELX_P28 DD THR D 50 ? GLY D 56 ? THR D 50 GLY D 56 1 ? 7 +HELX_P HELX_P29 DE ASN D 57 ? ALA D 76 ? ASN D 57 ALA D 76 1 ? 20 +HELX_P HELX_P30 DF PHE D 85 ? CYS D 93 ? PHE D 85 CYS D 93 1 ? 9 +HELX_P HELX_P31 DG ASP D 99 ? HIS D 117 ? ASP D 99 HIS D 117 1 ? 19 +HELX_P HELX_P32 DH THR D 123 ? HIS D 143 ? THR D 123 HIS D 143 1 ? 21 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +metalc1 metalc ? ? A HIS 87 NE2 ? ? ? 1_555 E HEM . FE ? ? A HIS 87 A HEM 142 1_555 ? ? ? ? ? ? ? 2.143 ? ? +metalc2 metalc ? ? B HIS 92 NE2 ? ? ? 1_555 G HEM . FE ? ? B HIS 92 B HEM 148 1_555 ? ? ? ? ? ? ? 2.222 ? ? +metalc3 metalc ? ? C HIS 87 NE2 ? ? ? 1_555 H HEM . FE ? ? C HIS 87 C HEM 142 1_555 ? ? ? ? ? ? ? 2.258 ? ? +metalc4 metalc ? ? D HIS 92 NE2 ? ? ? 1_555 J HEM . FE ? ? D HIS 92 D HEM 148 1_555 ? ? ? ? ? ? ? 1.982 ? ? +# +_struct_conn_type.id metalc +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 NE2 ? A HIS 87 ? A HIS 87 ? 1_555 FE ? E HEM . ? A HEM 142 ? 1_555 NA ? E HEM . ? A HEM 142 ? 1_555 100.8 ? +2 NE2 ? A HIS 87 ? A HIS 87 ? 1_555 FE ? E HEM . ? A HEM 142 ? 1_555 NB ? E HEM . ? A HEM 142 ? 1_555 100.3 ? +3 NA ? E HEM . ? A HEM 142 ? 1_555 FE ? E HEM . ? A HEM 142 ? 1_555 NB ? E HEM . ? A HEM 142 ? 1_555 86.2 ? +4 NE2 ? A HIS 87 ? A HIS 87 ? 1_555 FE ? E HEM . ? A HEM 142 ? 1_555 NC ? E HEM . ? A HEM 142 ? 1_555 104.6 ? +5 NA ? E HEM . ? A HEM 142 ? 1_555 FE ? E HEM . ? A HEM 142 ? 1_555 NC ? E HEM . ? A HEM 142 ? 1_555 154.5 ? +6 NB ? E HEM . ? A HEM 142 ? 1_555 FE ? E HEM . ? A HEM 142 ? 1_555 NC ? E HEM . ? A HEM 142 ? 1_555 88.3 ? +7 NE2 ? A HIS 87 ? A HIS 87 ? 1_555 FE ? E HEM . ? A HEM 142 ? 1_555 ND ? E HEM . ? A HEM 142 ? 1_555 106.5 ? +8 NA ? E HEM . ? A HEM 142 ? 1_555 FE ? E HEM . ? A HEM 142 ? 1_555 ND ? E HEM . ? A HEM 142 ? 1_555 90.2 ? +9 NB ? E HEM . ? A HEM 142 ? 1_555 FE ? E HEM . ? A HEM 142 ? 1_555 ND ? E HEM . ? A HEM 142 ? 1_555 153.2 ? +10 NC ? E HEM . ? A HEM 142 ? 1_555 FE ? E HEM . ? A HEM 142 ? 1_555 ND ? E HEM . ? A HEM 142 ? 1_555 83.6 ? +11 NE2 ? B HIS 92 ? B HIS 92 ? 1_555 FE ? G HEM . ? B HEM 148 ? 1_555 NA ? G HEM . ? B HEM 148 ? 1_555 97.7 ? +12 NE2 ? B HIS 92 ? B HIS 92 ? 1_555 FE ? G HEM . ? B HEM 148 ? 1_555 NB ? G HEM . ? B HEM 148 ? 1_555 97.1 ? +13 NA ? G HEM . ? B HEM 148 ? 1_555 FE ? G HEM . ? B HEM 148 ? 1_555 NB ? G HEM . ? B HEM 148 ? 1_555 88.7 ? +14 NE2 ? B HIS 92 ? B HIS 92 ? 1_555 FE ? G HEM . ? B HEM 148 ? 1_555 NC ? G HEM . ? B HEM 148 ? 1_555 104.0 ? +15 NA ? G HEM . ? B HEM 148 ? 1_555 FE ? G HEM . ? B HEM 148 ? 1_555 NC ? G HEM . ? B HEM 148 ? 1_555 158.2 ? +16 NB ? G HEM . ? B HEM 148 ? 1_555 FE ? G HEM . ? B HEM 148 ? 1_555 NC ? G HEM . ? B HEM 148 ? 1_555 90.0 ? +17 NE2 ? B HIS 92 ? B HIS 92 ? 1_555 FE ? G HEM . ? B HEM 148 ? 1_555 ND ? G HEM . ? B HEM 148 ? 1_555 103.6 ? +18 NA ? G HEM . ? B HEM 148 ? 1_555 FE ? G HEM . ? B HEM 148 ? 1_555 ND ? G HEM . ? B HEM 148 ? 1_555 91.0 ? +19 NB ? G HEM . ? B HEM 148 ? 1_555 FE ? G HEM . ? B HEM 148 ? 1_555 ND ? G HEM . ? B HEM 148 ? 1_555 159.1 ? +20 NC ? G HEM . ? B HEM 148 ? 1_555 FE ? G HEM . ? B HEM 148 ? 1_555 ND ? G HEM . ? B HEM 148 ? 1_555 82.6 ? +21 NE2 ? C HIS 87 ? C HIS 87 ? 1_555 FE ? H HEM . ? C HEM 142 ? 1_555 NA ? H HEM . ? C HEM 142 ? 1_555 92.2 ? +22 NE2 ? C HIS 87 ? C HIS 87 ? 1_555 FE ? H HEM . ? C HEM 142 ? 1_555 NB ? H HEM . ? C HEM 142 ? 1_555 93.3 ? +23 NA ? H HEM . ? C HEM 142 ? 1_555 FE ? H HEM . ? C HEM 142 ? 1_555 NB ? H HEM . ? C HEM 142 ? 1_555 83.8 ? +24 NE2 ? C HIS 87 ? C HIS 87 ? 1_555 FE ? H HEM . ? C HEM 142 ? 1_555 NC ? H HEM . ? C HEM 142 ? 1_555 105.8 ? +25 NA ? H HEM . ? C HEM 142 ? 1_555 FE ? H HEM . ? C HEM 142 ? 1_555 NC ? H HEM . ? C HEM 142 ? 1_555 162.0 ? +26 NB ? H HEM . ? C HEM 142 ? 1_555 FE ? H HEM . ? C HEM 142 ? 1_555 NC ? H HEM . ? C HEM 142 ? 1_555 94.8 ? +27 NE2 ? C HIS 87 ? C HIS 87 ? 1_555 FE ? H HEM . ? C HEM 142 ? 1_555 ND ? H HEM . ? C HEM 142 ? 1_555 103.5 ? +28 NA ? H HEM . ? C HEM 142 ? 1_555 FE ? H HEM . ? C HEM 142 ? 1_555 ND ? H HEM . ? C HEM 142 ? 1_555 88.9 ? +29 NB ? H HEM . ? C HEM 142 ? 1_555 FE ? H HEM . ? C HEM 142 ? 1_555 ND ? H HEM . ? C HEM 142 ? 1_555 161.9 ? +30 NC ? H HEM . ? C HEM 142 ? 1_555 FE ? H HEM . ? C HEM 142 ? 1_555 ND ? H HEM . ? C HEM 142 ? 1_555 87.1 ? +31 NE2 ? D HIS 92 ? D HIS 92 ? 1_555 FE ? J HEM . ? D HEM 148 ? 1_555 NA ? J HEM . ? D HEM 148 ? 1_555 90.2 ? +32 NE2 ? D HIS 92 ? D HIS 92 ? 1_555 FE ? J HEM . ? D HEM 148 ? 1_555 NB ? J HEM . ? D HEM 148 ? 1_555 102.2 ? +33 NA ? J HEM . ? D HEM 148 ? 1_555 FE ? J HEM . ? D HEM 148 ? 1_555 NB ? J HEM . ? D HEM 148 ? 1_555 88.3 ? +34 NE2 ? D HIS 92 ? D HIS 92 ? 1_555 FE ? J HEM . ? D HEM 148 ? 1_555 NC ? J HEM . ? D HEM 148 ? 1_555 109.1 ? +35 NA ? J HEM . ? D HEM 148 ? 1_555 FE ? J HEM . ? D HEM 148 ? 1_555 NC ? J HEM . ? D HEM 148 ? 1_555 160.5 ? +36 NB ? J HEM . ? D HEM 148 ? 1_555 FE ? J HEM . ? D HEM 148 ? 1_555 NC ? J HEM . ? D HEM 148 ? 1_555 84.5 ? +37 NE2 ? D HIS 92 ? D HIS 92 ? 1_555 FE ? J HEM . ? D HEM 148 ? 1_555 ND ? J HEM . ? D HEM 148 ? 1_555 97.8 ? +38 NA ? J HEM . ? D HEM 148 ? 1_555 FE ? J HEM . ? D HEM 148 ? 1_555 ND ? J HEM . ? D HEM 148 ? 1_555 89.1 ? +39 NB ? J HEM . ? D HEM 148 ? 1_555 FE ? J HEM . ? D HEM 148 ? 1_555 ND ? J HEM . ? D HEM 148 ? 1_555 159.9 ? +40 NC ? J HEM . ? D HEM 148 ? 1_555 FE ? J HEM . ? D HEM 148 ? 1_555 ND ? J HEM . ? D HEM 148 ? 1_555 91.4 ? +# +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software D PO4 147 ? 1 'BINDING SITE FOR RESIDUE PO4 D 147' +AC2 Software B PO4 147 ? 1 'BINDING SITE FOR RESIDUE PO4 B 147' +AC3 Software A HEM 142 ? 16 'BINDING SITE FOR RESIDUE HEM A 142' +AC4 Software B HEM 148 ? 13 'BINDING SITE FOR RESIDUE HEM B 148' +AC5 Software C HEM 142 ? 15 'BINDING SITE FOR RESIDUE HEM C 142' +AC6 Software D HEM 148 ? 7 'BINDING SITE FOR RESIDUE HEM D 148' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 1 VAL D 1 ? VAL D 1 . ? 1_555 ? +2 AC2 1 HOH L . ? HOH B 197 . ? 1_555 ? +3 AC3 16 TYR A 42 ? TYR A 42 . ? 1_555 ? +4 AC3 16 PHE A 43 ? PHE A 43 . ? 1_555 ? +5 AC3 16 HIS A 45 ? HIS A 45 . ? 1_555 ? +6 AC3 16 PHE A 46 ? PHE A 46 . ? 1_555 ? +7 AC3 16 HIS A 58 ? HIS A 58 . ? 1_555 ? +8 AC3 16 LYS A 61 ? LYS A 61 . ? 1_555 ? +9 AC3 16 LEU A 86 ? LEU A 86 . ? 1_555 ? +10 AC3 16 HIS A 87 ? HIS A 87 . ? 1_555 ? +11 AC3 16 LEU A 91 ? LEU A 91 . ? 1_555 ? +12 AC3 16 VAL A 93 ? VAL A 93 . ? 1_555 ? +13 AC3 16 ASN A 97 ? ASN A 97 . ? 1_555 ? +14 AC3 16 PHE A 98 ? PHE A 98 . ? 1_555 ? +15 AC3 16 LEU A 101 ? LEU A 101 . ? 1_555 ? +16 AC3 16 LEU A 136 ? LEU A 136 . ? 1_555 ? +17 AC3 16 HOH K . ? HOH A 144 . ? 1_555 ? +18 AC3 16 HOH K . ? HOH A 159 . ? 1_555 ? +19 AC4 13 ALA A 53 ? ALA A 53 . ? 1_556 ? +20 AC4 13 HOH K . ? HOH A 145 . ? 1_556 ? +21 AC4 13 PHE B 41 ? PHE B 41 . ? 1_555 ? +22 AC4 13 HIS B 63 ? HIS B 63 . ? 1_555 ? +23 AC4 13 LYS B 66 ? LYS B 66 . ? 1_555 ? +24 AC4 13 VAL B 67 ? VAL B 67 . ? 1_555 ? +25 AC4 13 HIS B 92 ? HIS B 92 . ? 1_555 ? +26 AC4 13 LEU B 96 ? LEU B 96 . ? 1_555 ? +27 AC4 13 ASN B 102 ? ASN B 102 . ? 1_555 ? +28 AC4 13 PHE B 103 ? PHE B 103 . ? 1_555 ? +29 AC4 13 LEU B 141 ? LEU B 141 . ? 1_555 ? +30 AC4 13 HOH L . ? HOH B 175 . ? 1_555 ? +31 AC4 13 HOH L . ? HOH B 193 . ? 1_555 ? +32 AC5 15 TYR C 42 ? TYR C 42 . ? 1_555 ? +33 AC5 15 PHE C 43 ? PHE C 43 . ? 1_555 ? +34 AC5 15 HIS C 45 ? HIS C 45 . ? 1_555 ? +35 AC5 15 HIS C 58 ? HIS C 58 . ? 1_555 ? +36 AC5 15 LYS C 61 ? LYS C 61 . ? 1_555 ? +37 AC5 15 LEU C 83 ? LEU C 83 . ? 1_555 ? +38 AC5 15 LEU C 86 ? LEU C 86 . ? 1_555 ? +39 AC5 15 HIS C 87 ? HIS C 87 . ? 1_555 ? +40 AC5 15 LEU C 91 ? LEU C 91 . ? 1_555 ? +41 AC5 15 VAL C 93 ? VAL C 93 . ? 1_555 ? +42 AC5 15 ASN C 97 ? ASN C 97 . ? 1_555 ? +43 AC5 15 PHE C 98 ? PHE C 98 . ? 1_555 ? +44 AC5 15 LEU C 136 ? LEU C 136 . ? 1_555 ? +45 AC5 15 HOH M . ? HOH C 149 . ? 1_555 ? +46 AC5 15 HOH M . ? HOH C 164 . ? 1_555 ? +47 AC6 7 HIS D 63 ? HIS D 63 . ? 1_555 ? +48 AC6 7 LYS D 66 ? LYS D 66 . ? 1_555 ? +49 AC6 7 VAL D 67 ? VAL D 67 . ? 1_555 ? +50 AC6 7 HIS D 92 ? HIS D 92 . ? 1_555 ? +51 AC6 7 LEU D 96 ? LEU D 96 . ? 1_555 ? +52 AC6 7 ASN D 102 ? ASN D 102 . ? 1_555 ? +53 AC6 7 LEU D 141 ? LEU D 141 . ? 1_555 ? +# +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.PDB_model_num +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.PDB_ins_code_1 +_pdbx_validate_close_contact.label_alt_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.PDB_ins_code_2 +_pdbx_validate_close_contact.label_alt_id_2 +_pdbx_validate_close_contact.dist +1 1 C B VAL 1 ? ? CA B HIS 2 ? ? 1.64 +2 1 C D PHE 45 ? ? CA D GLY 46 ? ? 1.78 +3 1 CB D THR 4 ? ? OE2 D GLU 6 ? ? 2.00 +4 1 NZ D LYS 66 ? ? O1A D HEM 148 ? ? 2.06 +5 1 OD2 D ASP 73 ? ? O D HOH 174 ? ? 2.10 +6 1 OG1 D THR 4 ? ? OE2 D GLU 6 ? ? 2.19 +# +loop_ +_pdbx_validate_symm_contact.id +_pdbx_validate_symm_contact.PDB_model_num +_pdbx_validate_symm_contact.auth_atom_id_1 +_pdbx_validate_symm_contact.auth_asym_id_1 +_pdbx_validate_symm_contact.auth_comp_id_1 +_pdbx_validate_symm_contact.auth_seq_id_1 +_pdbx_validate_symm_contact.PDB_ins_code_1 +_pdbx_validate_symm_contact.label_alt_id_1 +_pdbx_validate_symm_contact.site_symmetry_1 +_pdbx_validate_symm_contact.auth_atom_id_2 +_pdbx_validate_symm_contact.auth_asym_id_2 +_pdbx_validate_symm_contact.auth_comp_id_2 +_pdbx_validate_symm_contact.auth_seq_id_2 +_pdbx_validate_symm_contact.PDB_ins_code_2 +_pdbx_validate_symm_contact.label_alt_id_2 +_pdbx_validate_symm_contact.site_symmetry_2 +_pdbx_validate_symm_contact.dist +1 1 OD2 C ASP 85 ? ? 1_555 O B HOH 204 ? ? 2_657 1.41 +2 1 O B HOH 204 ? ? 1_555 O C HOH 161 ? ? 2_647 2.02 +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 N A VAL 1 ? ? CA A VAL 1 ? ? 1.164 1.459 -0.295 0.020 N +2 1 CA A VAL 1 ? ? CB A VAL 1 ? ? 1.843 1.543 0.300 0.021 N +3 1 CB A VAL 1 ? ? CG1 A VAL 1 ? ? 1.317 1.524 -0.207 0.021 N +4 1 CB A VAL 1 ? ? CG2 A VAL 1 ? ? 1.241 1.524 -0.283 0.021 N +5 1 CA A LEU 2 ? ? C A LEU 2 ? ? 1.774 1.525 0.249 0.026 N +6 1 C A LEU 2 ? ? N A SER 3 ? ? 1.015 1.336 -0.321 0.023 Y +7 1 N A SER 3 ? ? CA A SER 3 ? ? 1.627 1.459 0.168 0.020 N +8 1 CB A SER 3 ? ? OG A SER 3 ? ? 1.286 1.418 -0.132 0.013 N +9 1 C A SER 3 ? ? N A PRO 4 ? ? 1.620 1.338 0.282 0.019 Y +10 1 N A PRO 4 ? ? CA A PRO 4 ? ? 1.319 1.468 -0.149 0.017 N +11 1 CA A PRO 4 ? ? CB A PRO 4 ? ? 1.734 1.531 0.203 0.020 N +12 1 C A PRO 4 ? ? N A ALA 5 ? ? 1.594 1.336 0.258 0.023 Y +13 1 N A ALA 5 ? ? CA A ALA 5 ? ? 1.328 1.459 -0.131 0.020 N +14 1 CA A ALA 5 ? ? CB A ALA 5 ? ? 1.767 1.520 0.247 0.021 N +15 1 N A LYS 7 ? ? CA A LYS 7 ? ? 1.616 1.459 0.157 0.020 N +16 1 C A LYS 7 ? ? N A THR 8 ? ? 1.593 1.336 0.257 0.023 Y +17 1 CA A THR 8 ? ? CB A THR 8 ? ? 1.707 1.529 0.178 0.026 N +18 1 CB A THR 8 ? ? OG1 A THR 8 ? ? 1.255 1.428 -0.173 0.020 N +19 1 CB A THR 8 ? ? CG2 A THR 8 ? ? 1.274 1.519 -0.245 0.033 N +20 1 CA A THR 8 ? ? C A THR 8 ? ? 1.351 1.525 -0.174 0.026 N +21 1 C A THR 8 ? ? N A ASN 9 ? ? 1.516 1.336 0.180 0.023 Y +22 1 CB A VAL 10 ? ? CG2 A VAL 10 ? ? 1.346 1.524 -0.178 0.021 N +23 1 CA A VAL 10 ? ? C A VAL 10 ? ? 1.685 1.525 0.160 0.026 N +24 1 N A LYS 11 ? ? CA A LYS 11 ? ? 1.591 1.459 0.132 0.020 N +25 1 CA A LYS 11 ? ? CB A LYS 11 ? ? 1.397 1.535 -0.138 0.022 N +26 1 CB A LYS 11 ? ? CG A LYS 11 ? ? 1.325 1.521 -0.196 0.027 N +27 1 CG A LYS 11 ? ? CD A LYS 11 ? ? 1.314 1.520 -0.206 0.034 N +28 1 CD A LYS 11 ? ? CE A LYS 11 ? ? 1.962 1.508 0.454 0.025 N +29 1 N A ALA 12 ? ? CA A ALA 12 ? ? 1.325 1.459 -0.134 0.020 N +30 1 C A ALA 12 ? ? O A ALA 12 ? ? 1.454 1.229 0.225 0.019 N +31 1 CA A ALA 13 ? ? C A ALA 13 ? ? 1.726 1.525 0.201 0.026 N +32 1 CA A TRP 14 ? ? CB A TRP 14 ? ? 1.826 1.535 0.291 0.022 N +33 1 CB A TRP 14 ? ? CG A TRP 14 ? ? 1.224 1.498 -0.274 0.018 N +34 1 CG A TRP 14 ? ? CD1 A TRP 14 ? ? 1.669 1.363 0.306 0.014 N +35 1 CD1 A TRP 14 ? ? NE1 A TRP 14 ? ? 1.533 1.375 0.158 0.017 N +36 1 NE1 A TRP 14 ? ? CE2 A TRP 14 ? ? 1.136 1.371 -0.235 0.013 N +37 1 CE2 A TRP 14 ? ? CZ2 A TRP 14 ? ? 1.151 1.393 -0.242 0.017 N +38 1 CE2 A TRP 14 ? ? CD2 A TRP 14 ? ? 1.630 1.409 0.221 0.012 N +39 1 CH2 A TRP 14 ? ? CZ2 A TRP 14 ? ? 1.151 1.369 -0.218 0.019 N +40 1 CA A GLY 15 ? ? C A GLY 15 ? ? 1.696 1.514 0.182 0.016 N +41 1 C A GLY 15 ? ? O A GLY 15 ? ? 1.668 1.232 0.436 0.016 N +42 1 C A GLY 15 ? ? N A LYS 16 ? ? 0.918 1.336 -0.418 0.023 Y +43 1 CB A LYS 16 ? ? CG A LYS 16 ? ? 1.687 1.521 0.166 0.027 N +44 1 CG A LYS 16 ? ? CD A LYS 16 ? ? 2.008 1.520 0.488 0.034 N +45 1 CD A LYS 16 ? ? CE A LYS 16 ? ? 1.918 1.508 0.410 0.025 N +46 1 C A LYS 16 ? ? O A LYS 16 ? ? 1.080 1.229 -0.149 0.019 N +47 1 C A LYS 16 ? ? N A VAL 17 ? ? 1.516 1.336 0.180 0.023 Y +48 1 N A VAL 17 ? ? CA A VAL 17 ? ? 1.267 1.459 -0.192 0.020 N +49 1 CA A VAL 17 ? ? CB A VAL 17 ? ? 1.375 1.543 -0.168 0.021 N +50 1 CA A VAL 17 ? ? C A VAL 17 ? ? 1.957 1.525 0.432 0.026 N +51 1 C A VAL 17 ? ? O A VAL 17 ? ? 0.746 1.229 -0.483 0.019 N +52 1 C A VAL 17 ? ? N A GLY 18 ? ? 1.595 1.336 0.259 0.023 Y +53 1 CA A GLY 18 ? ? C A GLY 18 ? ? 1.861 1.514 0.347 0.016 N +54 1 C A GLY 18 ? ? O A GLY 18 ? ? 1.336 1.232 0.104 0.016 N +55 1 C A ALA 19 ? ? O A ALA 19 ? ? 1.465 1.229 0.236 0.019 N +56 1 CA A HIS 20 ? ? CB A HIS 20 ? ? 1.367 1.535 -0.168 0.022 N +57 1 CB A HIS 20 ? ? CG A HIS 20 ? ? 1.367 1.492 -0.125 0.016 N +58 1 CG A HIS 20 ? ? CD2 A HIS 20 ? ? 1.529 1.354 0.175 0.009 N +59 1 CG A HIS 20 ? ? ND1 A HIS 20 ? ? 1.705 1.383 0.322 0.022 N +60 1 CE1 A HIS 20 ? ? NE2 A HIS 20 ? ? 1.026 1.317 -0.291 0.011 N +61 1 NE2 A HIS 20 ? ? CD2 A HIS 20 ? ? 1.553 1.415 0.138 0.021 N +62 1 CA A ALA 21 ? ? C A ALA 21 ? ? 2.086 1.525 0.561 0.026 N +63 1 C A ALA 21 ? ? O A ALA 21 ? ? 1.072 1.229 -0.157 0.019 N +64 1 CA A GLY 22 ? ? C A GLY 22 ? ? 1.198 1.514 -0.316 0.016 N +65 1 C A GLY 22 ? ? N A GLU 23 ? ? 1.488 1.336 0.152 0.023 Y +66 1 CG A GLU 23 ? ? CD A GLU 23 ? ? 2.098 1.515 0.583 0.015 N +67 1 CD A GLU 23 ? ? OE1 A GLU 23 ? ? 1.719 1.252 0.467 0.011 N +68 1 CD A GLU 23 ? ? OE2 A GLU 23 ? ? 1.415 1.252 0.163 0.011 N +69 1 CB A TYR 24 ? ? CG A TYR 24 ? ? 1.694 1.512 0.182 0.015 N +70 1 CG A TYR 24 ? ? CD1 A TYR 24 ? ? 1.291 1.387 -0.096 0.013 N +71 1 CE1 A TYR 24 ? ? CZ A TYR 24 ? ? 1.129 1.381 -0.252 0.013 N +72 1 CZ A TYR 24 ? ? CE2 A TYR 24 ? ? 1.547 1.381 0.166 0.013 N +73 1 CA A GLY 25 ? ? C A GLY 25 ? ? 1.416 1.514 -0.098 0.016 N +74 1 N A ALA 26 ? ? CA A ALA 26 ? ? 1.201 1.459 -0.258 0.020 N +75 1 C A ALA 26 ? ? N A GLU 27 ? ? 1.494 1.336 0.158 0.023 Y +76 1 CG A GLU 27 ? ? CD A GLU 27 ? ? 1.695 1.515 0.180 0.015 N +77 1 CD A GLU 27 ? ? OE1 A GLU 27 ? ? 1.157 1.252 -0.095 0.011 N +78 1 N A LEU 29 ? ? CA A LEU 29 ? ? 1.632 1.459 0.173 0.020 N +79 1 CA A LEU 29 ? ? CB A LEU 29 ? ? 1.790 1.533 0.257 0.023 N +80 1 CB A GLU 30 ? ? CG A GLU 30 ? ? 1.356 1.517 -0.161 0.019 N +81 1 CG A GLU 30 ? ? CD A GLU 30 ? ? 2.002 1.515 0.487 0.015 N +82 1 CD A GLU 30 ? ? OE2 A GLU 30 ? ? 1.320 1.252 0.068 0.011 N +83 1 CD A ARG 31 ? ? NE A ARG 31 ? ? 1.675 1.460 0.215 0.017 N +84 1 CG A PHE 33 ? ? CD2 A PHE 33 ? ? 1.547 1.383 0.164 0.015 N +85 1 CG A PHE 33 ? ? CD1 A PHE 33 ? ? 1.235 1.383 -0.148 0.015 N +86 1 CZ A PHE 33 ? ? CE2 A PHE 33 ? ? 1.126 1.369 -0.243 0.019 N +87 1 CE2 A PHE 33 ? ? CD2 A PHE 33 ? ? 1.580 1.388 0.192 0.020 N +88 1 CA A PHE 33 ? ? C A PHE 33 ? ? 1.298 1.525 -0.227 0.026 N +89 1 C A PHE 33 ? ? N A LEU 34 ? ? 1.488 1.336 0.152 0.023 Y +90 1 N A SER 35 ? ? CA A SER 35 ? ? 1.331 1.459 -0.128 0.020 N +91 1 CG A PHE 36 ? ? CD2 A PHE 36 ? ? 1.537 1.383 0.154 0.015 N +92 1 N A PRO 37 ? ? CA A PRO 37 ? ? 1.614 1.468 0.146 0.017 N +93 1 CD A PRO 37 ? ? N A PRO 37 ? ? 1.237 1.474 -0.237 0.014 N +94 1 CA A LYS 40 ? ? CB A LYS 40 ? ? 1.752 1.535 0.217 0.022 N +95 1 CD A LYS 40 ? ? CE A LYS 40 ? ? 1.357 1.508 -0.151 0.025 N +96 1 C A LYS 40 ? ? O A LYS 40 ? ? 1.105 1.229 -0.124 0.019 N +97 1 CA A THR 41 ? ? C A THR 41 ? ? 1.349 1.525 -0.176 0.026 N +98 1 C A THR 41 ? ? O A THR 41 ? ? 1.354 1.229 0.125 0.019 N +99 1 CG A TYR 42 ? ? CD2 A TYR 42 ? ? 1.473 1.387 0.086 0.013 N +100 1 CE1 A TYR 42 ? ? CZ A TYR 42 ? ? 1.270 1.381 -0.111 0.013 N +101 1 CA A TYR 42 ? ? C A TYR 42 ? ? 1.722 1.525 0.197 0.026 N +102 1 CG A PHE 43 ? ? CD2 A PHE 43 ? ? 1.268 1.383 -0.115 0.015 N +103 1 CG A PHE 43 ? ? CD1 A PHE 43 ? ? 1.490 1.383 0.107 0.015 N +104 1 CA A PRO 44 ? ? CB A PRO 44 ? ? 1.374 1.531 -0.157 0.020 N +105 1 CD A PRO 44 ? ? N A PRO 44 ? ? 1.338 1.474 -0.136 0.014 N +106 1 CA A PRO 44 ? ? C A PRO 44 ? ? 1.826 1.524 0.302 0.020 N +107 1 C A PRO 44 ? ? N A HIS 45 ? ? 1.190 1.336 -0.146 0.023 Y +108 1 CA A HIS 45 ? ? CB A HIS 45 ? ? 1.395 1.535 -0.140 0.022 N +109 1 CE1 A HIS 45 ? ? NE2 A HIS 45 ? ? 1.522 1.333 0.189 0.019 N +110 1 C A HIS 45 ? ? N A PHE 46 ? ? 1.617 1.336 0.281 0.023 Y +111 1 CB A PHE 46 ? ? CG A PHE 46 ? ? 1.301 1.509 -0.208 0.017 N +112 1 CG A PHE 46 ? ? CD2 A PHE 46 ? ? 1.124 1.383 -0.259 0.015 N +113 1 CG A PHE 46 ? ? CD1 A PHE 46 ? ? 1.473 1.383 0.090 0.015 N +114 1 CE1 A PHE 46 ? ? CZ A PHE 46 ? ? 1.545 1.369 0.176 0.019 N +115 1 CE2 A PHE 46 ? ? CD2 A PHE 46 ? ? 1.557 1.388 0.169 0.020 N +116 1 CA A ASP 47 ? ? C A ASP 47 ? ? 1.739 1.525 0.214 0.026 N +117 1 C A ASP 47 ? ? N A LEU 48 ? ? 1.134 1.336 -0.202 0.023 Y +118 1 CA A LEU 48 ? ? CB A LEU 48 ? ? 1.699 1.533 0.166 0.023 N +119 1 CG A LEU 48 ? ? CD2 A LEU 48 ? ? 1.254 1.514 -0.260 0.037 N +120 1 N A SER 49 ? ? CA A SER 49 ? ? 1.614 1.459 0.155 0.020 N +121 1 CA A SER 49 ? ? CB A SER 49 ? ? 1.367 1.525 -0.158 0.015 N +122 1 CB A SER 49 ? ? OG A SER 49 ? ? 1.100 1.418 -0.318 0.013 N +123 1 C A SER 49 ? ? N A HIS 50 ? ? 1.581 1.336 0.245 0.023 Y +124 1 CA A HIS 50 ? ? CB A HIS 50 ? ? 2.015 1.535 0.480 0.022 N +125 1 CB A HIS 50 ? ? CG A HIS 50 ? ? 1.330 1.492 -0.162 0.016 N +126 1 CG A HIS 50 ? ? CD2 A HIS 50 ? ? 1.609 1.354 0.255 0.009 N +127 1 C A HIS 50 ? ? O A HIS 50 ? ? 1.483 1.229 0.254 0.019 N +128 1 C A HIS 50 ? ? N A GLY 51 ? ? 0.959 1.336 -0.377 0.023 Y +129 1 N A SER 52 ? ? CA A SER 52 ? ? 1.747 1.459 0.288 0.020 N +130 1 CB A SER 52 ? ? OG A SER 52 ? ? 1.338 1.418 -0.080 0.013 N +131 1 CA A SER 52 ? ? C A SER 52 ? ? 1.213 1.525 -0.312 0.026 N +132 1 CA A ALA 53 ? ? CB A ALA 53 ? ? 1.680 1.520 0.160 0.021 N +133 1 CG A LYS 56 ? ? CD A LYS 56 ? ? 2.058 1.520 0.538 0.034 N +134 1 CD A LYS 56 ? ? CE A LYS 56 ? ? 1.842 1.508 0.334 0.025 N +135 1 CA A LYS 56 ? ? C A LYS 56 ? ? 1.345 1.525 -0.180 0.026 N +136 1 C A LYS 56 ? ? N A GLY 57 ? ? 1.550 1.336 0.214 0.023 Y +137 1 CA A GLY 57 ? ? C A GLY 57 ? ? 1.654 1.514 0.140 0.016 N +138 1 CB A HIS 58 ? ? CG A HIS 58 ? ? 1.689 1.496 0.193 0.018 N +139 1 CE1 A HIS 58 ? ? NE2 A HIS 58 ? ? 1.186 1.317 -0.131 0.011 N +140 1 NE2 A HIS 58 ? ? CD2 A HIS 58 ? ? 1.304 1.373 -0.069 0.011 N +141 1 CA A HIS 58 ? ? C A HIS 58 ? ? 1.762 1.525 0.237 0.026 N +142 1 N A GLY 59 ? ? CA A GLY 59 ? ? 1.562 1.456 0.106 0.015 N +143 1 CA A GLY 59 ? ? C A GLY 59 ? ? 1.319 1.514 -0.195 0.016 N +144 1 CA A LYS 60 ? ? CB A LYS 60 ? ? 1.676 1.535 0.141 0.022 N +145 1 CB A LYS 60 ? ? CG A LYS 60 ? ? 1.353 1.521 -0.168 0.027 N +146 1 CD A LYS 60 ? ? CE A LYS 60 ? ? 1.933 1.508 0.425 0.025 N +147 1 CE A LYS 60 ? ? NZ A LYS 60 ? ? 2.685 1.486 1.199 0.025 N +148 1 CA A LYS 60 ? ? C A LYS 60 ? ? 1.362 1.525 -0.163 0.026 N +149 1 C A LYS 60 ? ? O A LYS 60 ? ? 1.098 1.229 -0.131 0.019 N +150 1 C A LYS 60 ? ? N A LYS 61 ? ? 1.511 1.336 0.175 0.023 Y +151 1 CD A LYS 61 ? ? CE A LYS 61 ? ? 0.815 1.508 -0.693 0.025 N +152 1 CE A LYS 61 ? ? NZ A LYS 61 ? ? 1.742 1.486 0.256 0.025 N +153 1 CA A LYS 61 ? ? C A LYS 61 ? ? 1.690 1.525 0.165 0.026 N +154 1 N A VAL 62 ? ? CA A VAL 62 ? ? 1.599 1.459 0.140 0.020 N +155 1 CA A VAL 62 ? ? C A VAL 62 ? ? 1.746 1.525 0.221 0.026 N +156 1 CA A ALA 63 ? ? C A ALA 63 ? ? 1.360 1.525 -0.165 0.026 N +157 1 CB A ASP 64 ? ? CG A ASP 64 ? ? 1.955 1.513 0.442 0.021 N +158 1 CG A ASP 64 ? ? OD1 A ASP 64 ? ? 1.510 1.249 0.261 0.023 N +159 1 C A ASP 64 ? ? N A ALA 65 ? ? 1.501 1.336 0.165 0.023 Y +160 1 CB A THR 67 ? ? OG1 A THR 67 ? ? 1.089 1.428 -0.339 0.020 N +161 1 C A THR 67 ? ? O A THR 67 ? ? 1.400 1.229 0.171 0.019 N +162 1 C A ASN 68 ? ? O A ASN 68 ? ? 1.394 1.229 0.165 0.019 N +163 1 C A ASN 68 ? ? N A ALA 69 ? ? 1.484 1.336 0.148 0.023 Y +164 1 C A ALA 69 ? ? O A ALA 69 ? ? 1.093 1.229 -0.136 0.019 N +165 1 N A VAL 70 ? ? CA A VAL 70 ? ? 1.586 1.459 0.127 0.020 N +166 1 CA A VAL 70 ? ? CB A VAL 70 ? ? 1.370 1.543 -0.173 0.021 N +167 1 CA A ALA 71 ? ? CB A ALA 71 ? ? 1.372 1.520 -0.148 0.021 N +168 1 CA A ALA 71 ? ? C A ALA 71 ? ? 1.193 1.525 -0.332 0.026 N +169 1 C A ALA 71 ? ? O A ALA 71 ? ? 1.444 1.229 0.215 0.019 N +170 1 CA A HIS 72 ? ? CB A HIS 72 ? ? 1.779 1.535 0.244 0.022 N +171 1 CB A HIS 72 ? ? CG A HIS 72 ? ? 1.323 1.492 -0.169 0.016 N +172 1 CG A HIS 72 ? ? CD2 A HIS 72 ? ? 1.478 1.354 0.124 0.009 N +173 1 CG A HIS 72 ? ? ND1 A HIS 72 ? ? 1.847 1.383 0.464 0.022 N +174 1 NE2 A HIS 72 ? ? CD2 A HIS 72 ? ? 1.626 1.415 0.211 0.021 N +175 1 CA A HIS 72 ? ? C A HIS 72 ? ? 1.359 1.525 -0.166 0.026 N +176 1 CA A VAL 73 ? ? CB A VAL 73 ? ? 1.359 1.543 -0.184 0.021 N +177 1 CB A VAL 73 ? ? CG2 A VAL 73 ? ? 1.384 1.524 -0.140 0.021 N +178 1 CA A VAL 73 ? ? C A VAL 73 ? ? 1.210 1.525 -0.315 0.026 N +179 1 N A ASP 74 ? ? CA A ASP 74 ? ? 1.604 1.459 0.145 0.020 N +180 1 CB A ASP 74 ? ? CG A ASP 74 ? ? 1.798 1.513 0.285 0.021 N +181 1 CG A ASP 74 ? ? OD1 A ASP 74 ? ? 0.797 1.249 -0.452 0.023 N +182 1 CG A ASP 74 ? ? OD2 A ASP 74 ? ? 1.572 1.249 0.323 0.023 N +183 1 C A ASP 74 ? ? O A ASP 74 ? ? 1.351 1.229 0.122 0.019 N +184 1 C A ASP 74 ? ? N A ASP 75 ? ? 0.925 1.336 -0.411 0.023 Y +185 1 CA A ASP 75 ? ? CB A ASP 75 ? ? 1.973 1.535 0.438 0.022 N +186 1 CB A ASP 75 ? ? CG A ASP 75 ? ? 0.678 1.513 -0.835 0.021 N +187 1 CG A ASP 75 ? ? OD1 A ASP 75 ? ? 1.817 1.249 0.568 0.023 N +188 1 CG A ASP 75 ? ? OD2 A ASP 75 ? ? 2.036 1.249 0.787 0.023 N +189 1 N A MET 76 ? ? CA A MET 76 ? ? 1.605 1.459 0.146 0.020 N +190 1 CB A MET 76 ? ? CG A MET 76 ? ? 1.117 1.509 -0.392 0.032 N +191 1 CG A MET 76 ? ? SD A MET 76 ? ? 2.017 1.807 0.210 0.026 N +192 1 C A MET 76 ? ? N A PRO 77 ? ? 1.208 1.338 -0.130 0.019 Y +193 1 N A PRO 77 ? ? CA A PRO 77 ? ? 1.350 1.468 -0.118 0.017 N +194 1 CA A PRO 77 ? ? CB A PRO 77 ? ? 1.720 1.531 0.189 0.020 N +195 1 CA A PRO 77 ? ? C A PRO 77 ? ? 1.278 1.524 -0.246 0.020 N +196 1 C A PRO 77 ? ? O A PRO 77 ? ? 1.432 1.228 0.204 0.020 N +197 1 CB A ASN 78 ? ? CG A ASN 78 ? ? 0.882 1.506 -0.624 0.023 N +198 1 CG A ASN 78 ? ? OD1 A ASN 78 ? ? 2.069 1.235 0.834 0.022 N +199 1 CG A ASN 78 ? ? ND2 A ASN 78 ? ? 1.122 1.324 -0.202 0.025 N +200 1 C A ASN 78 ? ? O A ASN 78 ? ? 1.394 1.229 0.165 0.019 N +201 1 CA A ALA 79 ? ? CB A ALA 79 ? ? 1.371 1.520 -0.149 0.021 N +202 1 CA A ALA 79 ? ? C A ALA 79 ? ? 1.701 1.525 0.176 0.026 N +203 1 N A LEU 80 ? ? CA A LEU 80 ? ? 1.595 1.459 0.136 0.020 N +204 1 CA A SER 81 ? ? CB A SER 81 ? ? 2.003 1.525 0.478 0.015 N +205 1 C A SER 81 ? ? O A SER 81 ? ? 1.356 1.229 0.127 0.019 N +206 1 CB A LEU 83 ? ? CG A LEU 83 ? ? 1.222 1.521 -0.299 0.029 N +207 1 CA A SER 84 ? ? CB A SER 84 ? ? 1.819 1.525 0.294 0.015 N +208 1 CB A SER 84 ? ? OG A SER 84 ? ? 1.220 1.418 -0.198 0.013 N +209 1 N A ASP 85 ? ? CA A ASP 85 ? ? 1.635 1.459 0.176 0.020 N +210 1 CG A ASP 85 ? ? OD1 A ASP 85 ? ? 0.751 1.249 -0.498 0.023 N +211 1 CG A ASP 85 ? ? OD2 A ASP 85 ? ? 1.730 1.249 0.481 0.023 N +212 1 CB A LEU 86 ? ? CG A LEU 86 ? ? 1.258 1.521 -0.263 0.029 N +213 1 CB A HIS 87 ? ? CG A HIS 87 ? ? 1.605 1.496 0.109 0.018 N +214 1 CA A HIS 87 ? ? C A HIS 87 ? ? 1.754 1.525 0.229 0.026 N +215 1 CA A ALA 88 ? ? C A ALA 88 ? ? 1.733 1.525 0.208 0.026 N +216 1 C A ALA 88 ? ? O A ALA 88 ? ? 1.058 1.229 -0.171 0.019 N +217 1 CG A HIS 89 ? ? CD2 A HIS 89 ? ? 1.532 1.354 0.178 0.009 N +218 1 NE2 A HIS 89 ? ? CD2 A HIS 89 ? ? 1.277 1.373 -0.096 0.011 N +219 1 N A LYS 90 ? ? CA A LYS 90 ? ? 1.274 1.459 -0.185 0.020 N +220 1 CA A LYS 90 ? ? CB A LYS 90 ? ? 1.692 1.535 0.157 0.022 N +221 1 CB A LYS 90 ? ? CG A LYS 90 ? ? 1.721 1.521 0.200 0.027 N +222 1 CG A LYS 90 ? ? CD A LYS 90 ? ? 1.189 1.520 -0.331 0.034 N +223 1 CD A LYS 90 ? ? CE A LYS 90 ? ? 1.839 1.508 0.331 0.025 N +224 1 CE A LYS 90 ? ? NZ A LYS 90 ? ? 2.667 1.486 1.181 0.025 N +225 1 CB A ARG 92 ? ? CG A ARG 92 ? ? 1.345 1.521 -0.176 0.027 N +226 1 CG A ARG 92 ? ? CD A ARG 92 ? ? 2.251 1.515 0.736 0.025 N +227 1 CD A ARG 92 ? ? NE A ARG 92 ? ? 1.342 1.460 -0.118 0.017 N +228 1 NE A ARG 92 ? ? CZ A ARG 92 ? ? 2.569 1.326 1.243 0.013 N +229 1 CZ A ARG 92 ? ? NH1 A ARG 92 ? ? 1.497 1.326 0.171 0.013 N +230 1 CZ A ARG 92 ? ? NH2 A ARG 92 ? ? 0.853 1.326 -0.473 0.013 N +231 1 CA A ARG 92 ? ? C A ARG 92 ? ? 1.368 1.525 -0.157 0.026 N +232 1 CA A ASP 94 ? ? C A ASP 94 ? ? 1.691 1.525 0.166 0.026 N +233 1 C A PRO 95 ? ? O A PRO 95 ? ? 1.355 1.228 0.127 0.020 N +234 1 CA A VAL 96 ? ? CB A VAL 96 ? ? 1.691 1.543 0.148 0.021 N +235 1 CB A VAL 96 ? ? CG1 A VAL 96 ? ? 1.110 1.524 -0.414 0.021 N +236 1 CB A VAL 96 ? ? CG2 A VAL 96 ? ? 1.018 1.524 -0.506 0.021 N +237 1 CG A ASN 97 ? ? ND2 A ASN 97 ? ? 1.477 1.324 0.153 0.025 N +238 1 CD1 A PHE 98 ? ? CE1 A PHE 98 ? ? 1.247 1.388 -0.141 0.020 N +239 1 CZ A PHE 98 ? ? CE2 A PHE 98 ? ? 1.238 1.369 -0.131 0.019 N +240 1 CB A LYS 99 ? ? CG A LYS 99 ? ? 1.091 1.521 -0.430 0.027 N +241 1 CG A LYS 99 ? ? CD A LYS 99 ? ? 0.997 1.520 -0.523 0.034 N +242 1 CD A LYS 99 ? ? CE A LYS 99 ? ? 1.947 1.508 0.439 0.025 N +243 1 CE A LYS 99 ? ? NZ A LYS 99 ? ? 2.201 1.486 0.715 0.025 N +244 1 CA A LYS 99 ? ? C A LYS 99 ? ? 1.327 1.525 -0.198 0.026 N +245 1 N A CYS 104 ? ? CA A CYS 104 ? ? 1.643 1.459 0.184 0.020 N +246 1 CB A LEU 105 ? ? CG A LEU 105 ? ? 1.288 1.521 -0.233 0.029 N +247 1 CG A LEU 105 ? ? CD2 A LEU 105 ? ? 1.194 1.514 -0.320 0.037 N +248 1 CB A LEU 106 ? ? CG A LEU 106 ? ? 1.146 1.521 -0.375 0.029 N +249 1 CA A LEU 106 ? ? C A LEU 106 ? ? 1.335 1.525 -0.190 0.026 N +250 1 C A LEU 106 ? ? O A LEU 106 ? ? 1.370 1.229 0.141 0.019 N +251 1 CA A THR 108 ? ? CB A THR 108 ? ? 1.692 1.529 0.163 0.026 N +252 1 CG A LEU 109 ? ? CD2 A LEU 109 ? ? 1.250 1.514 -0.264 0.037 N +253 1 ND1 A HIS 112 ? ? CE1 A HIS 112 ? ? 1.612 1.343 0.269 0.025 N +254 1 CA A LEU 113 ? ? CB A LEU 113 ? ? 1.384 1.533 -0.149 0.023 N +255 1 CB A LEU 113 ? ? CG A LEU 113 ? ? 1.711 1.521 0.190 0.029 N +256 1 N A PRO 114 ? ? CA A PRO 114 ? ? 1.603 1.468 0.135 0.017 N +257 1 CA A PRO 114 ? ? C A PRO 114 ? ? 1.664 1.524 0.140 0.020 N +258 1 CD A GLU 116 ? ? OE2 A GLU 116 ? ? 1.435 1.252 0.183 0.011 N +259 1 CE2 A PHE 117 ? ? CD2 A PHE 117 ? ? 1.522 1.388 0.134 0.020 N +260 1 CA A PRO 119 ? ? C A PRO 119 ? ? 1.387 1.524 -0.137 0.020 N +261 1 N A ALA 120 ? ? CA A ALA 120 ? ? 1.326 1.459 -0.133 0.020 N +262 1 C A ALA 120 ? ? N A VAL 121 ? ? 1.168 1.336 -0.168 0.023 Y +263 1 N A HIS 122 ? ? CA A HIS 122 ? ? 1.657 1.459 0.198 0.020 N +264 1 ND1 A HIS 122 ? ? CE1 A HIS 122 ? ? 1.530 1.343 0.187 0.025 N +265 1 CB A LYS 127 ? ? CG A LYS 127 ? ? 0.712 1.521 -0.809 0.027 N +266 1 CG A LYS 127 ? ? CD A LYS 127 ? ? 1.974 1.520 0.454 0.034 N +267 1 C A LYS 127 ? ? N A PHE 128 ? ? 1.162 1.336 -0.174 0.023 Y +268 1 CG A PHE 128 ? ? CD2 A PHE 128 ? ? 1.218 1.383 -0.165 0.015 N +269 1 CG A PHE 128 ? ? CD1 A PHE 128 ? ? 1.476 1.383 0.093 0.015 N +270 1 CE2 A PHE 128 ? ? CD2 A PHE 128 ? ? 1.512 1.388 0.124 0.020 N +271 1 CA A SER 131 ? ? CB A SER 131 ? ? 1.635 1.525 0.110 0.015 N +272 1 CB A SER 131 ? ? OG A SER 131 ? ? 1.216 1.418 -0.202 0.013 N +273 1 CA A VAL 132 ? ? CB A VAL 132 ? ? 1.381 1.543 -0.162 0.021 N +274 1 C A VAL 132 ? ? O A VAL 132 ? ? 1.379 1.229 0.150 0.019 N +275 1 CB A THR 134 ? ? OG1 A THR 134 ? ? 1.174 1.428 -0.254 0.020 N +276 1 CA A THR 134 ? ? C A THR 134 ? ? 1.312 1.525 -0.213 0.026 N +277 1 N A THR 137 ? ? CA A THR 137 ? ? 1.647 1.459 0.188 0.020 N +278 1 CA A THR 137 ? ? CB A THR 137 ? ? 1.910 1.529 0.381 0.026 N +279 1 CB A THR 137 ? ? OG1 A THR 137 ? ? 1.663 1.428 0.235 0.020 N +280 1 CB A THR 137 ? ? CG2 A THR 137 ? ? 1.007 1.519 -0.512 0.033 N +281 1 CA A SER 138 ? ? CB A SER 138 ? ? 2.119 1.525 0.594 0.015 N +282 1 CB A SER 138 ? ? OG A SER 138 ? ? 1.304 1.418 -0.114 0.013 N +283 1 N A LYS 139 ? ? CA A LYS 139 ? ? 1.592 1.459 0.133 0.020 N +284 1 CE A LYS 139 ? ? NZ A LYS 139 ? ? 1.956 1.486 0.470 0.025 N +285 1 CG A TYR 140 ? ? CD1 A TYR 140 ? ? 1.516 1.387 0.129 0.013 N +286 1 CE1 A TYR 140 ? ? CZ A TYR 140 ? ? 1.219 1.381 -0.162 0.013 N +287 1 CZ A TYR 140 ? ? OH A TYR 140 ? ? 1.207 1.374 -0.167 0.017 N +288 1 N A ARG 141 ? ? CA A ARG 141 ? ? 1.617 1.459 0.158 0.020 N +289 1 CA A ARG 141 ? ? CB A ARG 141 ? ? 1.351 1.535 -0.184 0.022 N +290 1 CB A ARG 141 ? ? CG A ARG 141 ? ? 1.792 1.521 0.271 0.027 N +291 1 NE A ARG 141 ? ? CZ A ARG 141 ? ? 1.466 1.326 0.140 0.013 N +292 1 N B VAL 1 ? ? CA B VAL 1 ? ? 1.685 1.459 0.226 0.020 N +293 1 CA B VAL 1 ? ? CB B VAL 1 ? ? 1.860 1.543 0.317 0.021 N +294 1 CB B VAL 1 ? ? CG1 B VAL 1 ? ? 2.028 1.524 0.504 0.021 N +295 1 CB B VAL 1 ? ? CG2 B VAL 1 ? ? 1.242 1.524 -0.282 0.021 N +296 1 CA B VAL 1 ? ? C B VAL 1 ? ? 2.086 1.525 0.561 0.026 N +297 1 C B VAL 1 ? ? O B VAL 1 ? ? 1.702 1.229 0.473 0.019 N +298 1 C B VAL 1 ? ? N B HIS 2 ? ? 0.787 1.336 -0.549 0.023 Y +299 1 CA B HIS 2 ? ? CB B HIS 2 ? ? 2.012 1.535 0.477 0.022 N +300 1 CB B HIS 2 ? ? CG B HIS 2 ? ? 0.834 1.492 -0.658 0.016 N +301 1 CG B HIS 2 ? ? CD2 B HIS 2 ? ? 2.053 1.354 0.699 0.009 N +302 1 CG B HIS 2 ? ? ND1 B HIS 2 ? ? 1.884 1.383 0.501 0.022 N +303 1 ND1 B HIS 2 ? ? CE1 B HIS 2 ? ? 2.177 1.343 0.834 0.025 N +304 1 CE1 B HIS 2 ? ? NE2 B HIS 2 ? ? 1.609 1.333 0.276 0.019 N +305 1 NE2 B HIS 2 ? ? CD2 B HIS 2 ? ? 2.087 1.415 0.672 0.021 N +306 1 CA B HIS 2 ? ? C B HIS 2 ? ? 1.841 1.525 0.316 0.026 N +307 1 C B HIS 2 ? ? O B HIS 2 ? ? 1.433 1.229 0.204 0.019 N +308 1 C B HIS 2 ? ? N B LEU 3 ? ? 1.118 1.336 -0.218 0.023 Y +309 1 N B LEU 3 ? ? CA B LEU 3 ? ? 1.590 1.459 0.131 0.020 N +310 1 CA B LEU 3 ? ? CB B LEU 3 ? ? 1.771 1.533 0.238 0.023 N +311 1 CA B THR 4 ? ? C B THR 4 ? ? 1.266 1.525 -0.259 0.026 N +312 1 N B PRO 5 ? ? CA B PRO 5 ? ? 1.185 1.468 -0.283 0.017 N +313 1 CD B PRO 5 ? ? N B PRO 5 ? ? 1.813 1.474 0.339 0.014 N +314 1 CA B PRO 5 ? ? C B PRO 5 ? ? 1.783 1.524 0.259 0.020 N +315 1 CB B GLU 6 ? ? CG B GLU 6 ? ? 1.037 1.517 -0.480 0.019 N +316 1 CG B GLU 6 ? ? CD B GLU 6 ? ? 2.069 1.515 0.554 0.015 N +317 1 CD B GLU 6 ? ? OE1 B GLU 6 ? ? 1.669 1.252 0.417 0.011 N +318 1 CD B GLU 6 ? ? OE2 B GLU 6 ? ? 0.950 1.252 -0.302 0.011 N +319 1 CA B GLU 6 ? ? C B GLU 6 ? ? 1.770 1.525 0.245 0.026 N +320 1 C B GLU 6 ? ? O B GLU 6 ? ? 1.470 1.229 0.241 0.019 N +321 1 C B GLU 6 ? ? N B GLU 7 ? ? 1.196 1.336 -0.140 0.023 Y +322 1 N B GLU 7 ? ? CA B GLU 7 ? ? 1.619 1.459 0.160 0.020 N +323 1 CA B GLU 7 ? ? CB B GLU 7 ? ? 0.983 1.535 -0.552 0.022 N +324 1 CB B GLU 7 ? ? CG B GLU 7 ? ? 1.770 1.517 0.253 0.019 N +325 1 CG B GLU 7 ? ? CD B GLU 7 ? ? 1.380 1.515 -0.135 0.015 N +326 1 CD B GLU 7 ? ? OE2 B GLU 7 ? ? 1.370 1.252 0.118 0.011 N +327 1 N B LYS 8 ? ? CA B LYS 8 ? ? 1.328 1.459 -0.131 0.020 N +328 1 CA B LYS 8 ? ? CB B LYS 8 ? ? 1.744 1.535 0.209 0.022 N +329 1 CB B LYS 8 ? ? CG B LYS 8 ? ? 0.867 1.521 -0.654 0.027 N +330 1 CG B LYS 8 ? ? CD B LYS 8 ? ? 1.784 1.520 0.264 0.034 N +331 1 CD B LYS 8 ? ? CE B LYS 8 ? ? 1.349 1.508 -0.159 0.025 N +332 1 CE B LYS 8 ? ? NZ B LYS 8 ? ? 2.273 1.486 0.787 0.025 N +333 1 C B LYS 8 ? ? O B LYS 8 ? ? 1.465 1.229 0.236 0.019 N +334 1 N B SER 9 ? ? CA B SER 9 ? ? 1.097 1.459 -0.362 0.020 N +335 1 CA B SER 9 ? ? CB B SER 9 ? ? 1.788 1.525 0.263 0.015 N +336 1 CA B SER 9 ? ? C B SER 9 ? ? 1.867 1.525 0.342 0.026 N +337 1 N B ALA 10 ? ? CA B ALA 10 ? ? 1.289 1.459 -0.170 0.020 N +338 1 CA B ALA 10 ? ? C B ALA 10 ? ? 1.779 1.525 0.254 0.026 N +339 1 CA B VAL 11 ? ? CB B VAL 11 ? ? 1.393 1.543 -0.150 0.021 N +340 1 CA B THR 12 ? ? CB B THR 12 ? ? 1.704 1.529 0.175 0.026 N +341 1 CB B THR 12 ? ? OG1 B THR 12 ? ? 1.223 1.428 -0.205 0.020 N +342 1 CB B THR 12 ? ? CG2 B THR 12 ? ? 0.577 1.519 -0.942 0.033 N +343 1 N B ALA 13 ? ? CA B ALA 13 ? ? 1.325 1.459 -0.134 0.020 N +344 1 CA B ALA 13 ? ? CB B ALA 13 ? ? 1.674 1.520 0.154 0.021 N +345 1 C B ALA 13 ? ? N B LEU 14 ? ? 1.490 1.336 0.154 0.023 Y +346 1 CB B TRP 15 ? ? CG B TRP 15 ? ? 1.611 1.498 0.113 0.018 N +347 1 CG B TRP 15 ? ? CD1 B TRP 15 ? ? 1.254 1.363 -0.109 0.014 N +348 1 NE1 B TRP 15 ? ? CE2 B TRP 15 ? ? 1.470 1.371 0.099 0.013 N +349 1 CE2 B TRP 15 ? ? CD2 B TRP 15 ? ? 1.494 1.409 0.085 0.012 N +350 1 N B GLY 16 ? ? CA B GLY 16 ? ? 1.577 1.456 0.121 0.015 N +351 1 CA B GLY 16 ? ? C B GLY 16 ? ? 1.395 1.514 -0.119 0.016 N +352 1 CD B LYS 17 ? ? CE B LYS 17 ? ? 1.692 1.508 0.184 0.025 N +353 1 C B LYS 17 ? ? O B LYS 17 ? ? 1.416 1.229 0.187 0.019 N +354 1 CB B VAL 18 ? ? CG2 B VAL 18 ? ? 1.713 1.524 0.189 0.021 N +355 1 CG B ASN 19 ? ? OD1 B ASN 19 ? ? 1.064 1.235 -0.171 0.022 N +356 1 CG B ASN 19 ? ? ND2 B ASN 19 ? ? 1.491 1.324 0.167 0.025 N +357 1 CA B VAL 20 ? ? C B VAL 20 ? ? 1.304 1.525 -0.221 0.026 N +358 1 C B VAL 20 ? ? O B VAL 20 ? ? 1.385 1.229 0.156 0.019 N +359 1 CB B ASP 21 ? ? CG B ASP 21 ? ? 1.837 1.513 0.324 0.021 N +360 1 CG B ASP 21 ? ? OD2 B ASP 21 ? ? 1.459 1.249 0.210 0.023 N +361 1 N B GLU 22 ? ? CA B GLU 22 ? ? 1.615 1.459 0.156 0.020 N +362 1 CB B GLU 22 ? ? CG B GLU 22 ? ? 1.315 1.517 -0.202 0.019 N +363 1 CG B GLU 22 ? ? CD B GLU 22 ? ? 1.854 1.515 0.339 0.015 N +364 1 CD B GLU 22 ? ? OE1 B GLU 22 ? ? 1.766 1.252 0.514 0.011 N +365 1 CD B GLU 22 ? ? OE2 B GLU 22 ? ? 2.118 1.252 0.866 0.011 N +366 1 CB B GLU 26 ? ? CG B GLU 26 ? ? 1.726 1.517 0.209 0.019 N +367 1 CG B GLU 26 ? ? CD B GLU 26 ? ? 1.381 1.515 -0.134 0.015 N +368 1 CD B GLU 26 ? ? OE1 B GLU 26 ? ? 2.826 1.252 1.574 0.011 N +369 1 CD B GLU 26 ? ? OE2 B GLU 26 ? ? 2.428 1.252 1.176 0.011 N +370 1 CB B LEU 28 ? ? CG B LEU 28 ? ? 1.734 1.521 0.213 0.029 N +371 1 CG B LEU 32 ? ? CD1 B LEU 32 ? ? 1.262 1.514 -0.252 0.037 N +372 1 N B VAL 34 ? ? CA B VAL 34 ? ? 1.595 1.459 0.136 0.020 N +373 1 CG B TYR 35 ? ? CD1 B TYR 35 ? ? 1.470 1.387 0.083 0.013 N +374 1 CZ B TYR 35 ? ? CE2 B TYR 35 ? ? 1.281 1.381 -0.100 0.013 N +375 1 CE2 B TYR 35 ? ? CD2 B TYR 35 ? ? 1.288 1.389 -0.101 0.015 N +376 1 C B TYR 35 ? ? N B PRO 36 ? ? 1.221 1.338 -0.117 0.019 Y +377 1 CG B TRP 37 ? ? CD1 B TRP 37 ? ? 1.479 1.363 0.116 0.014 N +378 1 NE1 B TRP 37 ? ? CE2 B TRP 37 ? ? 1.253 1.371 -0.118 0.013 N +379 1 CE2 B TRP 37 ? ? CD2 B TRP 37 ? ? 1.489 1.409 0.080 0.012 N +380 1 CZ3 B TRP 37 ? ? CH2 B TRP 37 ? ? 1.283 1.396 -0.113 0.016 N +381 1 N B GLN 39 ? ? CA B GLN 39 ? ? 1.593 1.459 0.134 0.020 N +382 1 CD B ARG 40 ? ? NE B ARG 40 ? ? 1.241 1.460 -0.219 0.017 N +383 1 NE B ARG 40 ? ? CZ B ARG 40 ? ? 1.530 1.326 0.204 0.013 N +384 1 CZ B ARG 40 ? ? NH1 B ARG 40 ? ? 1.157 1.326 -0.169 0.013 N +385 1 CZ B ARG 40 ? ? NH2 B ARG 40 ? ? 1.558 1.326 0.232 0.013 N +386 1 C B ARG 40 ? ? N B PHE 41 ? ? 1.129 1.336 -0.207 0.023 Y +387 1 CG B PHE 41 ? ? CD2 B PHE 41 ? ? 1.536 1.383 0.153 0.015 N +388 1 CE1 B PHE 41 ? ? CZ B PHE 41 ? ? 1.238 1.369 -0.131 0.019 N +389 1 CA B PHE 41 ? ? C B PHE 41 ? ? 1.773 1.525 0.248 0.026 N +390 1 C B PHE 41 ? ? O B PHE 41 ? ? 1.072 1.229 -0.157 0.019 N +391 1 CB B PHE 42 ? ? CG B PHE 42 ? ? 1.364 1.509 -0.145 0.017 N +392 1 CG B PHE 42 ? ? CD1 B PHE 42 ? ? 1.686 1.383 0.303 0.015 N +393 1 CE1 B PHE 42 ? ? CZ B PHE 42 ? ? 1.187 1.369 -0.182 0.019 N +394 1 CZ B PHE 42 ? ? CE2 B PHE 42 ? ? 1.515 1.369 0.146 0.019 N +395 1 CA B GLU 43 ? ? CB B GLU 43 ? ? 1.261 1.535 -0.274 0.022 N +396 1 CG B GLU 43 ? ? CD B GLU 43 ? ? 2.425 1.515 0.910 0.015 N +397 1 CD B GLU 43 ? ? OE1 B GLU 43 ? ? 0.848 1.252 -0.404 0.011 N +398 1 CD B GLU 43 ? ? OE2 B GLU 43 ? ? 1.511 1.252 0.259 0.011 N +399 1 N B SER 44 ? ? CA B SER 44 ? ? 1.581 1.459 0.122 0.020 N +400 1 CA B SER 44 ? ? CB B SER 44 ? ? 1.396 1.525 -0.129 0.015 N +401 1 CB B SER 44 ? ? OG B SER 44 ? ? 1.176 1.418 -0.242 0.013 N +402 1 C B SER 44 ? ? O B SER 44 ? ? 1.501 1.229 0.272 0.019 N +403 1 C B SER 44 ? ? N B PHE 45 ? ? 1.552 1.336 0.216 0.023 Y +404 1 CB B PHE 45 ? ? CG B PHE 45 ? ? 1.643 1.509 0.134 0.017 N +405 1 CG B PHE 45 ? ? CD2 B PHE 45 ? ? 1.045 1.383 -0.338 0.015 N +406 1 CD1 B PHE 45 ? ? CE1 B PHE 45 ? ? 1.624 1.388 0.236 0.020 N +407 1 CE1 B PHE 45 ? ? CZ B PHE 45 ? ? 1.011 1.369 -0.358 0.019 N +408 1 N B GLY 46 ? ? CA B GLY 46 ? ? 1.349 1.456 -0.107 0.015 N +409 1 CA B GLY 46 ? ? C B GLY 46 ? ? 1.677 1.514 0.163 0.016 N +410 1 C B GLY 46 ? ? O B GLY 46 ? ? 1.437 1.232 0.205 0.016 N +411 1 C B GLY 46 ? ? N B ASP 47 ? ? 1.074 1.336 -0.262 0.023 Y +412 1 N B ASP 47 ? ? CA B ASP 47 ? ? 1.671 1.459 0.212 0.020 N +413 1 CG B ASP 47 ? ? OD2 B ASP 47 ? ? 1.783 1.249 0.534 0.023 N +414 1 CA B ASP 47 ? ? C B ASP 47 ? ? 1.747 1.525 0.222 0.026 N +415 1 C B ASP 47 ? ? N B LEU 48 ? ? 1.487 1.336 0.151 0.023 Y +416 1 N B LEU 48 ? ? CA B LEU 48 ? ? 1.588 1.459 0.129 0.020 N +417 1 CA B LEU 48 ? ? CB B LEU 48 ? ? 1.390 1.533 -0.143 0.023 N +418 1 N B SER 49 ? ? CA B SER 49 ? ? 1.674 1.459 0.215 0.020 N +419 1 CA B SER 49 ? ? CB B SER 49 ? ? 1.834 1.525 0.309 0.015 N +420 1 CB B SER 49 ? ? OG B SER 49 ? ? 1.707 1.418 0.289 0.013 N +421 1 CA B SER 49 ? ? C B SER 49 ? ? 1.310 1.525 -0.215 0.026 N +422 1 C B SER 49 ? ? O B SER 49 ? ? 1.789 1.229 0.560 0.019 N +423 1 N B THR 50 ? ? CA B THR 50 ? ? 1.286 1.459 -0.173 0.020 N +424 1 CA B THR 50 ? ? CB B THR 50 ? ? 1.277 1.529 -0.252 0.026 N +425 1 CB B THR 50 ? ? CG2 B THR 50 ? ? 1.749 1.519 0.230 0.033 N +426 1 CD B PRO 51 ? ? N B PRO 51 ? ? 1.615 1.474 0.141 0.014 N +427 1 C B PRO 51 ? ? O B PRO 51 ? ? 1.411 1.228 0.183 0.020 N +428 1 CB B ASP 52 ? ? CG B ASP 52 ? ? 1.773 1.513 0.260 0.021 N +429 1 CG B ASP 52 ? ? OD1 B ASP 52 ? ? 1.059 1.249 -0.190 0.023 N +430 1 CA B ALA 53 ? ? CB B ALA 53 ? ? 1.364 1.520 -0.156 0.021 N +431 1 C B ALA 53 ? ? N B VAL 54 ? ? 1.484 1.336 0.148 0.023 Y +432 1 CA B VAL 54 ? ? CB B VAL 54 ? ? 1.693 1.543 0.150 0.021 N +433 1 CA B VAL 54 ? ? C B VAL 54 ? ? 1.309 1.525 -0.216 0.026 N +434 1 C B VAL 54 ? ? O B VAL 54 ? ? 1.357 1.229 0.128 0.019 N +435 1 CG B ASN 57 ? ? OD1 B ASN 57 ? ? 1.073 1.235 -0.162 0.022 N +436 1 CB B PRO 58 ? ? CG B PRO 58 ? ? 1.168 1.495 -0.327 0.050 N +437 1 CD B PRO 58 ? ? N B PRO 58 ? ? 1.781 1.474 0.307 0.014 N +438 1 CA B LYS 59 ? ? CB B LYS 59 ? ? 1.358 1.535 -0.177 0.022 N +439 1 CG B LYS 59 ? ? CD B LYS 59 ? ? 1.003 1.520 -0.517 0.034 N +440 1 CD B LYS 59 ? ? CE B LYS 59 ? ? 2.363 1.508 0.855 0.025 N +441 1 CE B LYS 59 ? ? NZ B LYS 59 ? ? 1.919 1.486 0.433 0.025 N +442 1 CB B LYS 61 ? ? CG B LYS 61 ? ? 1.238 1.521 -0.283 0.027 N +443 1 CG B LYS 61 ? ? CD B LYS 61 ? ? 1.928 1.520 0.408 0.034 N +444 1 CD B LYS 61 ? ? CE B LYS 61 ? ? 1.696 1.508 0.188 0.025 N +445 1 CE B LYS 61 ? ? NZ B LYS 61 ? ? 1.746 1.486 0.260 0.025 N +446 1 CA B HIS 63 ? ? CB B HIS 63 ? ? 1.390 1.535 -0.145 0.022 N +447 1 CG B HIS 63 ? ? CD2 B HIS 63 ? ? 1.452 1.354 0.098 0.009 N +448 1 CG B HIS 63 ? ? ND1 B HIS 63 ? ? 1.645 1.383 0.262 0.022 N +449 1 ND1 B HIS 63 ? ? CE1 B HIS 63 ? ? 1.572 1.343 0.229 0.025 N +450 1 CE1 B HIS 63 ? ? NE2 B HIS 63 ? ? 1.201 1.317 -0.116 0.011 N +451 1 C B GLY 64 ? ? O B GLY 64 ? ? 1.109 1.232 -0.123 0.016 N +452 1 CA B LYS 65 ? ? CB B LYS 65 ? ? 1.799 1.535 0.264 0.022 N +453 1 CB B LYS 65 ? ? CG B LYS 65 ? ? 0.577 1.521 -0.944 0.027 N +454 1 CG B LYS 65 ? ? CD B LYS 65 ? ? 2.492 1.520 0.972 0.034 N +455 1 CD B LYS 65 ? ? CE B LYS 65 ? ? 2.349 1.508 0.841 0.025 N +456 1 CE B LYS 65 ? ? NZ B LYS 65 ? ? 2.586 1.486 1.100 0.025 N +457 1 N B LYS 66 ? ? CA B LYS 66 ? ? 1.182 1.459 -0.277 0.020 N +458 1 CD B LYS 66 ? ? CE B LYS 66 ? ? 2.367 1.508 0.859 0.025 N +459 1 CE B LYS 66 ? ? NZ B LYS 66 ? ? 1.806 1.486 0.320 0.025 N +460 1 CA B LYS 66 ? ? C B LYS 66 ? ? 1.722 1.525 0.197 0.026 N +461 1 N B VAL 67 ? ? CA B VAL 67 ? ? 1.594 1.459 0.135 0.020 N +462 1 CG B LEU 68 ? ? CD2 B LEU 68 ? ? 1.273 1.514 -0.241 0.037 N +463 1 N B GLY 69 ? ? CA B GLY 69 ? ? 1.288 1.456 -0.168 0.015 N +464 1 CA B GLY 69 ? ? C B GLY 69 ? ? 1.646 1.514 0.132 0.016 N +465 1 C B GLY 69 ? ? O B GLY 69 ? ? 1.102 1.232 -0.130 0.016 N +466 1 C B GLY 69 ? ? N B ALA 70 ? ? 1.533 1.336 0.197 0.023 Y +467 1 CG B PHE 71 ? ? CD2 B PHE 71 ? ? 1.496 1.383 0.113 0.015 N +468 1 C B PHE 71 ? ? N B SER 72 ? ? 1.046 1.336 -0.290 0.023 Y +469 1 N B SER 72 ? ? CA B SER 72 ? ? 1.606 1.459 0.147 0.020 N +470 1 CB B SER 72 ? ? OG B SER 72 ? ? 1.325 1.418 -0.093 0.013 N +471 1 N B ASP 73 ? ? CA B ASP 73 ? ? 1.592 1.459 0.133 0.020 N +472 1 CA B ASP 73 ? ? CB B ASP 73 ? ? 1.692 1.535 0.157 0.022 N +473 1 CB B ASP 73 ? ? CG B ASP 73 ? ? 1.715 1.513 0.202 0.021 N +474 1 CG B ASP 73 ? ? OD1 B ASP 73 ? ? 1.467 1.249 0.218 0.023 N +475 1 CG B ASP 73 ? ? OD2 B ASP 73 ? ? 1.008 1.249 -0.241 0.023 N +476 1 CA B ASP 73 ? ? C B ASP 73 ? ? 1.197 1.525 -0.328 0.026 N +477 1 C B ASP 73 ? ? O B ASP 73 ? ? 1.395 1.229 0.166 0.019 N +478 1 N B GLY 74 ? ? CA B GLY 74 ? ? 1.273 1.456 -0.183 0.015 N +479 1 CA B GLY 74 ? ? C B GLY 74 ? ? 1.320 1.514 -0.194 0.016 N +480 1 CB B LEU 75 ? ? CG B LEU 75 ? ? 1.276 1.521 -0.245 0.029 N +481 1 N B ALA 76 ? ? CA B ALA 76 ? ? 1.327 1.459 -0.132 0.020 N +482 1 C B ALA 76 ? ? O B ALA 76 ? ? 0.913 1.229 -0.316 0.019 N +483 1 C B ALA 76 ? ? N B HIS 77 ? ? 1.636 1.336 0.300 0.023 Y +484 1 CA B HIS 77 ? ? CB B HIS 77 ? ? 1.393 1.535 -0.142 0.022 N +485 1 CB B HIS 77 ? ? CG B HIS 77 ? ? 1.658 1.496 0.162 0.018 N +486 1 CG B HIS 77 ? ? CD2 B HIS 77 ? ? 1.835 1.354 0.481 0.009 N +487 1 ND1 B HIS 77 ? ? CE1 B HIS 77 ? ? 1.140 1.323 -0.183 0.015 N +488 1 N B ASP 79 ? ? CA B ASP 79 ? ? 1.595 1.459 0.136 0.020 N +489 1 CB B ASP 79 ? ? CG B ASP 79 ? ? 1.176 1.513 -0.337 0.021 N +490 1 CG B ASP 79 ? ? OD2 B ASP 79 ? ? 1.671 1.249 0.422 0.023 N +491 1 C B ASP 79 ? ? O B ASP 79 ? ? 1.018 1.229 -0.211 0.019 N +492 1 N B ASN 80 ? ? CA B ASN 80 ? ? 1.727 1.459 0.268 0.020 N +493 1 CA B ASN 80 ? ? CB B ASN 80 ? ? 1.364 1.527 -0.163 0.026 N +494 1 CB B ASN 80 ? ? CG B ASN 80 ? ? 1.751 1.506 0.245 0.023 N +495 1 CG B ASN 80 ? ? OD1 B ASN 80 ? ? 1.507 1.235 0.272 0.022 N +496 1 CA B ASN 80 ? ? C B ASN 80 ? ? 1.797 1.525 0.272 0.026 N +497 1 C B ASN 80 ? ? O B ASN 80 ? ? 1.078 1.229 -0.151 0.019 N +498 1 N B LEU 81 ? ? CA B LEU 81 ? ? 1.681 1.459 0.222 0.020 N +499 1 CA B LEU 81 ? ? C B LEU 81 ? ? 1.320 1.525 -0.205 0.026 N +500 1 CD B LYS 82 ? ? CE B LYS 82 ? ? 0.698 1.508 -0.810 0.025 N +501 1 CE B LYS 82 ? ? NZ B LYS 82 ? ? 2.346 1.486 0.860 0.025 N +502 1 CA B LYS 82 ? ? C B LYS 82 ? ? 1.277 1.525 -0.248 0.026 N +503 1 N B GLY 83 ? ? CA B GLY 83 ? ? 1.595 1.456 0.139 0.015 N +504 1 CA B GLY 83 ? ? C B GLY 83 ? ? 1.407 1.514 -0.107 0.016 N +505 1 CB B THR 84 ? ? OG1 B THR 84 ? ? 1.591 1.428 0.163 0.020 N +506 1 CB B THR 84 ? ? CG2 B THR 84 ? ? 1.250 1.519 -0.269 0.033 N +507 1 CB B PHE 85 ? ? CG B PHE 85 ? ? 1.388 1.509 -0.121 0.017 N +508 1 CA B THR 87 ? ? CB B THR 87 ? ? 1.948 1.529 0.419 0.026 N +509 1 CB B THR 87 ? ? CG2 B THR 87 ? ? 2.023 1.519 0.504 0.033 N +510 1 CB B SER 89 ? ? OG B SER 89 ? ? 1.583 1.418 0.165 0.013 N +511 1 N B GLU 90 ? ? CA B GLU 90 ? ? 1.337 1.459 -0.122 0.020 N +512 1 CA B GLU 90 ? ? CB B GLU 90 ? ? 1.844 1.535 0.309 0.022 N +513 1 CB B GLU 90 ? ? CG B GLU 90 ? ? 1.301 1.517 -0.216 0.019 N +514 1 CG B GLU 90 ? ? CD B GLU 90 ? ? 2.065 1.515 0.550 0.015 N +515 1 CD B GLU 90 ? ? OE1 B GLU 90 ? ? 0.920 1.252 -0.332 0.011 N +516 1 C B GLU 90 ? ? N B LEU 91 ? ? 1.484 1.336 0.148 0.023 Y +517 1 CG B LEU 91 ? ? CD2 B LEU 91 ? ? 1.287 1.514 -0.227 0.037 N +518 1 NE2 B HIS 92 ? ? CD2 B HIS 92 ? ? 1.238 1.373 -0.135 0.011 N +519 1 CB B CYS 93 ? ? SG B CYS 93 ? ? 1.957 1.818 0.139 0.017 N +520 1 C B CYS 93 ? ? O B CYS 93 ? ? 1.105 1.229 -0.124 0.019 N +521 1 CB B ASP 94 ? ? CG B ASP 94 ? ? 1.699 1.513 0.186 0.021 N +522 1 CG B ASP 94 ? ? OD2 B ASP 94 ? ? 0.974 1.249 -0.275 0.023 N +523 1 C B ASP 94 ? ? O B ASP 94 ? ? 1.385 1.229 0.156 0.019 N +524 1 CA B LYS 95 ? ? CB B LYS 95 ? ? 1.721 1.535 0.186 0.022 N +525 1 CA B LYS 95 ? ? C B LYS 95 ? ? 1.311 1.525 -0.214 0.026 N +526 1 C B LYS 95 ? ? O B LYS 95 ? ? 1.096 1.229 -0.133 0.019 N +527 1 C B LYS 95 ? ? N B LEU 96 ? ? 1.514 1.336 0.178 0.023 Y +528 1 CB B HIS 97 ? ? CG B HIS 97 ? ? 1.632 1.496 0.136 0.018 N +529 1 CB B VAL 98 ? ? CG2 B VAL 98 ? ? 1.656 1.524 0.132 0.021 N +530 1 CA B VAL 98 ? ? C B VAL 98 ? ? 1.689 1.525 0.164 0.026 N +531 1 CG B GLU 101 ? ? CD B GLU 101 ? ? 2.023 1.515 0.508 0.015 N +532 1 CD B GLU 101 ? ? OE1 B GLU 101 ? ? 1.168 1.252 -0.084 0.011 N +533 1 C B GLU 101 ? ? N B ASN 102 ? ? 1.519 1.336 0.183 0.023 Y +534 1 CG B ASN 102 ? ? OD1 B ASN 102 ? ? 0.935 1.235 -0.300 0.022 N +535 1 CG B ASN 102 ? ? ND2 B ASN 102 ? ? 1.486 1.324 0.162 0.025 N +536 1 CG B PHE 103 ? ? CD2 B PHE 103 ? ? 1.291 1.383 -0.092 0.015 N +537 1 CE1 B PHE 103 ? ? CZ B PHE 103 ? ? 1.182 1.369 -0.187 0.019 N +538 1 CA B ARG 104 ? ? CB B ARG 104 ? ? 1.675 1.535 0.140 0.022 N +539 1 CG B ARG 104 ? ? CD B ARG 104 ? ? 1.757 1.515 0.242 0.025 N +540 1 CD B ARG 104 ? ? NE B ARG 104 ? ? 1.654 1.460 0.194 0.017 N +541 1 NE B ARG 104 ? ? CZ B ARG 104 ? ? 2.128 1.326 0.802 0.013 N +542 1 CZ B ARG 104 ? ? NH1 B ARG 104 ? ? 1.873 1.326 0.547 0.013 N +543 1 CZ B ARG 104 ? ? NH2 B ARG 104 ? ? 1.973 1.326 0.647 0.013 N +544 1 CG B LEU 106 ? ? CD2 B LEU 106 ? ? 1.285 1.514 -0.229 0.037 N +545 1 CB B ASN 108 ? ? CG B ASN 108 ? ? 1.840 1.506 0.334 0.023 N +546 1 CB B VAL 109 ? ? CG2 B VAL 109 ? ? 1.656 1.524 0.132 0.021 N +547 1 CA B CYS 112 ? ? CB B CYS 112 ? ? 1.368 1.526 -0.158 0.013 N +548 1 CB B CYS 112 ? ? SG B CYS 112 ? ? 1.942 1.818 0.124 0.017 N +549 1 C B VAL 113 ? ? O B VAL 113 ? ? 1.418 1.229 0.189 0.019 N +550 1 CB B HIS 117 ? ? CG B HIS 117 ? ? 1.355 1.492 -0.137 0.016 N +551 1 CG B HIS 117 ? ? CD2 B HIS 117 ? ? 1.657 1.354 0.303 0.009 N +552 1 CG B HIS 117 ? ? ND1 B HIS 117 ? ? 1.942 1.383 0.559 0.022 N +553 1 ND1 B HIS 117 ? ? CE1 B HIS 117 ? ? 1.749 1.343 0.406 0.025 N +554 1 CE1 B HIS 117 ? ? NE2 B HIS 117 ? ? 1.529 1.333 0.196 0.019 N +555 1 NE2 B HIS 117 ? ? CD2 B HIS 117 ? ? 2.213 1.415 0.798 0.021 N +556 1 CB B PHE 118 ? ? CG B PHE 118 ? ? 1.346 1.509 -0.163 0.017 N +557 1 CG B PHE 118 ? ? CD2 B PHE 118 ? ? 1.548 1.383 0.165 0.015 N +558 1 CD1 B PHE 118 ? ? CE1 B PHE 118 ? ? 1.512 1.388 0.124 0.020 N +559 1 CE1 B PHE 118 ? ? CZ B PHE 118 ? ? 1.522 1.369 0.153 0.019 N +560 1 CE2 B PHE 118 ? ? CD2 B PHE 118 ? ? 1.159 1.388 -0.229 0.020 N +561 1 C B GLY 119 ? ? O B GLY 119 ? ? 1.338 1.232 0.106 0.016 N +562 1 CA B LYS 120 ? ? CB B LYS 120 ? ? 1.680 1.535 0.145 0.022 N +563 1 CB B LYS 120 ? ? CG B LYS 120 ? ? 1.318 1.521 -0.203 0.027 N +564 1 CD B LYS 120 ? ? CE B LYS 120 ? ? 1.666 1.508 0.158 0.025 N +565 1 CE B LYS 120 ? ? NZ B LYS 120 ? ? 1.317 1.486 -0.169 0.025 N +566 1 N B GLU 121 ? ? CA B GLU 121 ? ? 1.302 1.459 -0.157 0.020 N +567 1 CA B GLU 121 ? ? CB B GLU 121 ? ? 1.684 1.535 0.149 0.022 N +568 1 CB B GLU 121 ? ? CG B GLU 121 ? ? 1.082 1.517 -0.435 0.019 N +569 1 CG B GLU 121 ? ? CD B GLU 121 ? ? 2.068 1.515 0.553 0.015 N +570 1 CD B GLU 121 ? ? OE1 B GLU 121 ? ? 1.868 1.252 0.616 0.011 N +571 1 CD B GLU 121 ? ? OE2 B GLU 121 ? ? 1.129 1.252 -0.123 0.011 N +572 1 CB B THR 123 ? ? OG1 B THR 123 ? ? 1.292 1.428 -0.136 0.020 N +573 1 CA B THR 123 ? ? C B THR 123 ? ? 1.695 1.525 0.170 0.026 N +574 1 C B THR 123 ? ? O B THR 123 ? ? 1.106 1.229 -0.123 0.019 N +575 1 C B THR 123 ? ? N B PRO 124 ? ? 1.191 1.338 -0.147 0.019 Y +576 1 CD B PRO 124 ? ? N B PRO 124 ? ? 1.699 1.474 0.225 0.014 N +577 1 C B PRO 124 ? ? O B PRO 124 ? ? 1.361 1.228 0.133 0.020 N +578 1 C B PRO 124 ? ? N B PRO 125 ? ? 1.199 1.338 -0.139 0.019 Y +579 1 CD B PRO 125 ? ? N B PRO 125 ? ? 1.673 1.474 0.199 0.014 N +580 1 C B VAL 126 ? ? O B VAL 126 ? ? 1.414 1.229 0.185 0.019 N +581 1 CE1 B TYR 130 ? ? CZ B TYR 130 ? ? 1.302 1.381 -0.079 0.013 N +582 1 CE2 B TYR 130 ? ? CD2 B TYR 130 ? ? 1.594 1.389 0.205 0.015 N +583 1 CA B LYS 132 ? ? CB B LYS 132 ? ? 1.319 1.535 -0.216 0.022 N +584 1 CD B LYS 132 ? ? CE B LYS 132 ? ? 1.660 1.508 0.152 0.025 N +585 1 CE B LYS 132 ? ? NZ B LYS 132 ? ? 1.882 1.486 0.396 0.025 N +586 1 CB B VAL 133 ? ? CG1 B VAL 133 ? ? 1.392 1.524 -0.132 0.021 N +587 1 N B VAL 134 ? ? CA B VAL 134 ? ? 1.291 1.459 -0.168 0.020 N +588 1 C B VAL 134 ? ? O B VAL 134 ? ? 1.373 1.229 0.144 0.019 N +589 1 N B GLY 136 ? ? CA B GLY 136 ? ? 1.566 1.456 0.110 0.015 N +590 1 CB B ASN 139 ? ? CG B ASN 139 ? ? 0.659 1.506 -0.847 0.023 N +591 1 CG B ASN 139 ? ? OD1 B ASN 139 ? ? 1.585 1.235 0.350 0.022 N +592 1 CG B ASN 139 ? ? ND2 B ASN 139 ? ? 2.013 1.324 0.689 0.025 N +593 1 CA B ALA 140 ? ? CB B ALA 140 ? ? 1.653 1.520 0.133 0.021 N +594 1 CA B ALA 142 ? ? C B ALA 142 ? ? 1.821 1.525 0.296 0.026 N +595 1 C B ALA 142 ? ? O B ALA 142 ? ? 1.360 1.229 0.131 0.019 N +596 1 C B ALA 142 ? ? N B HIS 143 ? ? 1.149 1.336 -0.187 0.023 Y +597 1 CA B HIS 143 ? ? CB B HIS 143 ? ? 1.363 1.535 -0.172 0.022 N +598 1 CB B HIS 143 ? ? CG B HIS 143 ? ? 1.740 1.496 0.244 0.018 N +599 1 CG B HIS 143 ? ? CD2 B HIS 143 ? ? 1.174 1.353 -0.179 0.017 N +600 1 CG B HIS 143 ? ? ND1 B HIS 143 ? ? 1.702 1.383 0.319 0.022 N +601 1 ND1 B HIS 143 ? ? CE1 B HIS 143 ? ? 1.987 1.343 0.644 0.025 N +602 1 CE1 B HIS 143 ? ? NE2 B HIS 143 ? ? 1.562 1.333 0.229 0.019 N +603 1 CA B HIS 143 ? ? C B HIS 143 ? ? 1.764 1.525 0.239 0.026 N +604 1 CD B LYS 144 ? ? CE B LYS 144 ? ? 2.006 1.508 0.498 0.025 N +605 1 CE B LYS 144 ? ? NZ B LYS 144 ? ? 1.993 1.486 0.507 0.025 N +606 1 CA B LYS 144 ? ? C B LYS 144 ? ? 1.354 1.525 -0.171 0.026 N +607 1 C B LYS 144 ? ? O B LYS 144 ? ? 1.368 1.229 0.139 0.019 N +608 1 CA B TYR 145 ? ? CB B TYR 145 ? ? 1.288 1.535 -0.247 0.022 N +609 1 CB B TYR 145 ? ? CG B TYR 145 ? ? 1.622 1.512 0.110 0.015 N +610 1 CD1 B TYR 145 ? ? CE1 B TYR 145 ? ? 1.285 1.389 -0.104 0.015 N +611 1 CE1 B TYR 145 ? ? CZ B TYR 145 ? ? 1.567 1.381 0.186 0.013 N +612 1 CE2 B TYR 145 ? ? CD2 B TYR 145 ? ? 1.622 1.389 0.233 0.015 N +613 1 CA B TYR 145 ? ? C B TYR 145 ? ? 1.749 1.525 0.224 0.026 N +614 1 C B TYR 145 ? ? O B TYR 145 ? ? 1.349 1.229 0.120 0.019 N +615 1 C B TYR 145 ? ? N B HIS 146 ? ? 0.970 1.336 -0.366 0.023 Y +616 1 N B HIS 146 ? ? CA B HIS 146 ? ? 1.644 1.459 0.185 0.020 N +617 1 CB B HIS 146 ? ? CG B HIS 146 ? ? 2.045 1.496 0.549 0.018 N +618 1 CG B HIS 146 ? ? CD2 B HIS 146 ? ? 1.626 1.354 0.272 0.009 N +619 1 CG B HIS 146 ? ? ND1 B HIS 146 ? ? 0.980 1.369 -0.389 0.015 N +620 1 ND1 B HIS 146 ? ? CE1 B HIS 146 ? ? 1.840 1.343 0.497 0.025 N +621 1 N C VAL 1 ? ? CA C VAL 1 ? ? 2.332 1.459 0.873 0.020 N +622 1 CA C VAL 1 ? ? CB C VAL 1 ? ? 1.250 1.543 -0.293 0.021 N +623 1 CB C VAL 1 ? ? CG1 C VAL 1 ? ? 2.218 1.524 0.694 0.021 N +624 1 CB C VAL 1 ? ? CG2 C VAL 1 ? ? 2.483 1.524 0.959 0.021 N +625 1 CA C VAL 1 ? ? C C VAL 1 ? ? 1.832 1.525 0.307 0.026 N +626 1 CA C LEU 2 ? ? CB C LEU 2 ? ? 1.366 1.533 -0.167 0.023 N +627 1 CG C LEU 2 ? ? CD1 C LEU 2 ? ? 1.246 1.514 -0.268 0.037 N +628 1 CG C LEU 2 ? ? CD2 C LEU 2 ? ? 1.242 1.514 -0.272 0.037 N +629 1 CA C LEU 2 ? ? C C LEU 2 ? ? 1.791 1.525 0.266 0.026 N +630 1 C C LEU 2 ? ? N C SER 3 ? ? 1.195 1.336 -0.141 0.023 Y +631 1 CA C SER 3 ? ? CB C SER 3 ? ? 1.405 1.525 -0.120 0.015 N +632 1 N C PRO 4 ? ? CA C PRO 4 ? ? 1.260 1.468 -0.208 0.017 N +633 1 CA C PRO 4 ? ? C C PRO 4 ? ? 1.645 1.524 0.121 0.020 N +634 1 N C LYS 7 ? ? CA C LYS 7 ? ? 1.750 1.459 0.291 0.020 N +635 1 CG C LYS 7 ? ? CD C LYS 7 ? ? 1.947 1.520 0.427 0.034 N +636 1 CD C LYS 7 ? ? CE C LYS 7 ? ? 1.211 1.508 -0.297 0.025 N +637 1 CE C LYS 7 ? ? NZ C LYS 7 ? ? 1.194 1.486 -0.292 0.025 N +638 1 CA C LYS 7 ? ? C C LYS 7 ? ? 1.185 1.525 -0.340 0.026 N +639 1 C C LYS 7 ? ? N C THR 8 ? ? 1.507 1.336 0.171 0.023 Y +640 1 CA C THR 8 ? ? CB C THR 8 ? ? 1.839 1.529 0.310 0.026 N +641 1 CA C THR 8 ? ? C C THR 8 ? ? 1.326 1.525 -0.199 0.026 N +642 1 CB C VAL 10 ? ? CG1 C VAL 10 ? ? 1.654 1.524 0.130 0.021 N +643 1 CA C VAL 10 ? ? C C VAL 10 ? ? 1.812 1.525 0.287 0.026 N +644 1 CD C LYS 11 ? ? CE C LYS 11 ? ? 1.312 1.508 -0.196 0.025 N +645 1 CE C LYS 11 ? ? NZ C LYS 11 ? ? 1.913 1.486 0.427 0.025 N +646 1 CA C LYS 11 ? ? C C LYS 11 ? ? 1.236 1.525 -0.289 0.026 N +647 1 N C ALA 12 ? ? CA C ALA 12 ? ? 1.313 1.459 -0.146 0.020 N +648 1 C C ALA 12 ? ? O C ALA 12 ? ? 1.369 1.229 0.140 0.019 N +649 1 C C ALA 12 ? ? N C ALA 13 ? ? 1.547 1.336 0.211 0.023 Y +650 1 CG C TRP 14 ? ? CD1 C TRP 14 ? ? 1.571 1.363 0.208 0.014 N +651 1 NE1 C TRP 14 ? ? CE2 C TRP 14 ? ? 1.240 1.371 -0.131 0.013 N +652 1 CE2 C TRP 14 ? ? CD2 C TRP 14 ? ? 1.574 1.409 0.165 0.012 N +653 1 CD2 C TRP 14 ? ? CE3 C TRP 14 ? ? 1.206 1.399 -0.193 0.015 N +654 1 CZ3 C TRP 14 ? ? CH2 C TRP 14 ? ? 1.725 1.396 0.329 0.016 N +655 1 CH2 C TRP 14 ? ? CZ2 C TRP 14 ? ? 1.198 1.369 -0.171 0.019 N +656 1 C C TRP 14 ? ? O C TRP 14 ? ? 1.384 1.229 0.155 0.019 N +657 1 C C GLY 15 ? ? O C GLY 15 ? ? 1.573 1.232 0.341 0.016 N +658 1 C C GLY 15 ? ? N C LYS 16 ? ? 1.091 1.336 -0.245 0.023 Y +659 1 CB C LYS 16 ? ? CG C LYS 16 ? ? 1.935 1.521 0.414 0.027 N +660 1 CG C LYS 16 ? ? CD C LYS 16 ? ? 1.811 1.520 0.291 0.034 N +661 1 CD C LYS 16 ? ? CE C LYS 16 ? ? 2.226 1.508 0.718 0.025 N +662 1 CE C LYS 16 ? ? NZ C LYS 16 ? ? 1.709 1.486 0.223 0.025 N +663 1 CA C LYS 16 ? ? C C LYS 16 ? ? 1.817 1.525 0.292 0.026 N +664 1 CB C VAL 17 ? ? CG1 C VAL 17 ? ? 1.315 1.524 -0.209 0.021 N +665 1 CB C VAL 17 ? ? CG2 C VAL 17 ? ? 1.655 1.524 0.131 0.021 N +666 1 C C VAL 17 ? ? O C VAL 17 ? ? 1.380 1.229 0.151 0.019 N +667 1 C C VAL 17 ? ? N C GLY 18 ? ? 1.506 1.336 0.170 0.023 Y +668 1 N C GLY 18 ? ? CA C GLY 18 ? ? 1.569 1.456 0.113 0.015 N +669 1 CA C GLY 18 ? ? C C GLY 18 ? ? 1.360 1.514 -0.154 0.016 N +670 1 C C GLY 18 ? ? O C GLY 18 ? ? 1.421 1.232 0.189 0.016 N +671 1 N C ALA 19 ? ? CA C ALA 19 ? ? 1.337 1.459 -0.122 0.020 N +672 1 C C ALA 19 ? ? O C ALA 19 ? ? 1.437 1.229 0.208 0.019 N +673 1 CA C HIS 20 ? ? CB C HIS 20 ? ? 1.380 1.535 -0.155 0.022 N +674 1 CB C HIS 20 ? ? CG C HIS 20 ? ? 1.707 1.496 0.211 0.018 N +675 1 CG C HIS 20 ? ? ND1 C HIS 20 ? ? 1.644 1.383 0.261 0.022 N +676 1 ND1 C HIS 20 ? ? CE1 C HIS 20 ? ? 1.786 1.343 0.443 0.025 N +677 1 CE1 C HIS 20 ? ? NE2 C HIS 20 ? ? 1.569 1.333 0.236 0.019 N +678 1 NE2 C HIS 20 ? ? CD2 C HIS 20 ? ? 1.167 1.373 -0.206 0.011 N +679 1 C C ALA 21 ? ? N C GLY 22 ? ? 1.167 1.336 -0.169 0.023 Y +680 1 CA C GLY 22 ? ? C C GLY 22 ? ? 1.202 1.514 -0.312 0.016 N +681 1 C C GLY 22 ? ? O C GLY 22 ? ? 1.379 1.232 0.147 0.016 N +682 1 N C GLU 23 ? ? CA C GLU 23 ? ? 1.305 1.459 -0.154 0.020 N +683 1 CG C GLU 23 ? ? CD C GLU 23 ? ? 2.153 1.515 0.638 0.015 N +684 1 CD C GLU 23 ? ? OE1 C GLU 23 ? ? 2.374 1.252 1.122 0.011 N +685 1 CD C GLU 23 ? ? OE2 C GLU 23 ? ? 0.873 1.252 -0.379 0.011 N +686 1 CA C GLU 23 ? ? C C GLU 23 ? ? 1.706 1.525 0.181 0.026 N +687 1 CG C TYR 24 ? ? CD1 C TYR 24 ? ? 1.532 1.387 0.145 0.013 N +688 1 CD1 C TYR 24 ? ? CE1 C TYR 24 ? ? 1.502 1.389 0.113 0.015 N +689 1 CE1 C TYR 24 ? ? CZ C TYR 24 ? ? 1.243 1.381 -0.138 0.013 N +690 1 CZ C TYR 24 ? ? OH C TYR 24 ? ? 1.547 1.374 0.173 0.017 N +691 1 CE2 C TYR 24 ? ? CD2 C TYR 24 ? ? 1.557 1.389 0.168 0.015 N +692 1 N C GLY 25 ? ? CA C GLY 25 ? ? 1.335 1.456 -0.121 0.015 N +693 1 C C GLY 25 ? ? O C GLY 25 ? ? 1.469 1.232 0.237 0.016 N +694 1 C C ALA 26 ? ? N C GLU 27 ? ? 1.530 1.336 0.194 0.023 Y +695 1 CD C GLU 27 ? ? OE2 C GLU 27 ? ? 1.323 1.252 0.071 0.011 N +696 1 CA C LEU 29 ? ? C C LEU 29 ? ? 1.338 1.525 -0.187 0.026 N +697 1 CG C GLU 30 ? ? CD C GLU 30 ? ? 1.958 1.515 0.443 0.015 N +698 1 CD C GLU 30 ? ? OE2 C GLU 30 ? ? 0.799 1.252 -0.453 0.011 N +699 1 CD C ARG 31 ? ? NE C ARG 31 ? ? 1.590 1.460 0.130 0.017 N +700 1 CG C PHE 36 ? ? CD2 C PHE 36 ? ? 1.530 1.383 0.147 0.015 N +701 1 CE2 C PHE 36 ? ? CD2 C PHE 36 ? ? 1.258 1.388 -0.130 0.020 N +702 1 CD C PRO 37 ? ? N C PRO 37 ? ? 1.276 1.474 -0.198 0.014 N +703 1 CA C THR 38 ? ? CB C THR 38 ? ? 1.806 1.529 0.277 0.026 N +704 1 CB C THR 38 ? ? OG1 C THR 38 ? ? 1.612 1.428 0.184 0.020 N +705 1 CA C THR 38 ? ? C C THR 38 ? ? 1.350 1.525 -0.175 0.026 N +706 1 N C LYS 40 ? ? CA C LYS 40 ? ? 1.596 1.459 0.137 0.020 N +707 1 CD C LYS 40 ? ? CE C LYS 40 ? ? 0.851 1.508 -0.657 0.025 N +708 1 CE C LYS 40 ? ? NZ C LYS 40 ? ? 1.692 1.486 0.206 0.025 N +709 1 N C THR 41 ? ? CA C THR 41 ? ? 1.583 1.459 0.124 0.020 N +710 1 C C THR 41 ? ? O C THR 41 ? ? 1.420 1.229 0.191 0.019 N +711 1 CG C TYR 42 ? ? CD1 C TYR 42 ? ? 1.505 1.387 0.118 0.013 N +712 1 CZ C TYR 42 ? ? CE2 C TYR 42 ? ? 1.496 1.381 0.115 0.013 N +713 1 N C PHE 43 ? ? CA C PHE 43 ? ? 1.591 1.459 0.132 0.020 N +714 1 CG C PHE 43 ? ? CD2 C PHE 43 ? ? 1.520 1.383 0.137 0.015 N +715 1 CA C PRO 44 ? ? CB C PRO 44 ? ? 1.723 1.531 0.192 0.020 N +716 1 C C PRO 44 ? ? N C HIS 45 ? ? 1.109 1.336 -0.227 0.023 Y +717 1 CB C HIS 45 ? ? CG C HIS 45 ? ? 1.610 1.496 0.114 0.018 N +718 1 ND1 C HIS 45 ? ? CE1 C HIS 45 ? ? 1.144 1.323 -0.179 0.015 N +719 1 NE2 C HIS 45 ? ? CD2 C HIS 45 ? ? 1.288 1.373 -0.085 0.011 N +720 1 CA C PHE 46 ? ? CB C PHE 46 ? ? 1.677 1.535 0.142 0.022 N +721 1 CB C PHE 46 ? ? CG C PHE 46 ? ? 1.348 1.509 -0.161 0.017 N +722 1 CE1 C PHE 46 ? ? CZ C PHE 46 ? ? 1.183 1.369 -0.186 0.019 N +723 1 CZ C PHE 46 ? ? CE2 C PHE 46 ? ? 1.568 1.369 0.199 0.019 N +724 1 CE2 C PHE 46 ? ? CD2 C PHE 46 ? ? 0.917 1.388 -0.471 0.020 N +725 1 C C PHE 46 ? ? N C ASP 47 ? ? 1.536 1.336 0.200 0.023 Y +726 1 CA C ASP 47 ? ? CB C ASP 47 ? ? 1.720 1.535 0.185 0.022 N +727 1 CB C ASP 47 ? ? CG C ASP 47 ? ? 1.721 1.513 0.208 0.021 N +728 1 CG C ASP 47 ? ? OD1 C ASP 47 ? ? 1.036 1.249 -0.213 0.023 N +729 1 N C LEU 48 ? ? CA C LEU 48 ? ? 1.594 1.459 0.135 0.020 N +730 1 CG C LEU 48 ? ? CD2 C LEU 48 ? ? 1.742 1.514 0.228 0.037 N +731 1 CA C LEU 48 ? ? C C LEU 48 ? ? 1.321 1.525 -0.204 0.026 N +732 1 C C LEU 48 ? ? O C LEU 48 ? ? 1.398 1.229 0.169 0.019 N +733 1 CB C SER 49 ? ? OG C SER 49 ? ? 1.104 1.418 -0.314 0.013 N +734 1 CA C SER 49 ? ? C C SER 49 ? ? 1.325 1.525 -0.200 0.026 N +735 1 C C SER 49 ? ? N C HIS 50 ? ? 1.582 1.336 0.246 0.023 Y +736 1 CA C HIS 50 ? ? CB C HIS 50 ? ? 1.716 1.535 0.181 0.022 N +737 1 CB C HIS 50 ? ? CG C HIS 50 ? ? 1.311 1.492 -0.181 0.016 N +738 1 CG C HIS 50 ? ? CD2 C HIS 50 ? ? 1.245 1.353 -0.108 0.017 N +739 1 CG C HIS 50 ? ? ND1 C HIS 50 ? ? 1.668 1.383 0.285 0.022 N +740 1 CE1 C HIS 50 ? ? NE2 C HIS 50 ? ? 1.549 1.333 0.216 0.019 N +741 1 CA C HIS 50 ? ? C C HIS 50 ? ? 1.710 1.525 0.185 0.026 N +742 1 N C GLY 51 ? ? CA C GLY 51 ? ? 1.308 1.456 -0.148 0.015 N +743 1 N C SER 52 ? ? CA C SER 52 ? ? 1.612 1.459 0.153 0.020 N +744 1 CA C SER 52 ? ? CB C SER 52 ? ? 1.427 1.525 -0.098 0.015 N +745 1 CA C SER 52 ? ? C C SER 52 ? ? 1.281 1.525 -0.244 0.026 N +746 1 C C SER 52 ? ? O C SER 52 ? ? 1.361 1.229 0.132 0.019 N +747 1 CA C GLN 54 ? ? C C GLN 54 ? ? 1.746 1.525 0.221 0.026 N +748 1 N C VAL 55 ? ? CA C VAL 55 ? ? 1.610 1.459 0.151 0.020 N +749 1 CG C LYS 56 ? ? CD C LYS 56 ? ? 2.268 1.520 0.748 0.034 N +750 1 CD C LYS 56 ? ? CE C LYS 56 ? ? 2.393 1.508 0.885 0.025 N +751 1 CE C LYS 56 ? ? NZ C LYS 56 ? ? 1.724 1.486 0.238 0.025 N +752 1 CA C LYS 56 ? ? C C LYS 56 ? ? 1.294 1.525 -0.231 0.026 N +753 1 C C GLY 57 ? ? O C GLY 57 ? ? 1.373 1.232 0.141 0.016 N +754 1 CG C HIS 58 ? ? CD2 C HIS 58 ? ? 1.218 1.353 -0.135 0.017 N +755 1 CA C HIS 58 ? ? C C HIS 58 ? ? 1.692 1.525 0.167 0.026 N +756 1 N C GLY 59 ? ? CA C GLY 59 ? ? 1.330 1.456 -0.126 0.015 N +757 1 C C GLY 59 ? ? O C GLY 59 ? ? 1.348 1.232 0.116 0.016 N +758 1 CD C LYS 60 ? ? CE C LYS 60 ? ? 1.342 1.508 -0.166 0.025 N +759 1 CE C LYS 60 ? ? NZ C LYS 60 ? ? 2.015 1.486 0.529 0.025 N +760 1 CB C LYS 61 ? ? CG C LYS 61 ? ? 1.332 1.521 -0.189 0.027 N +761 1 CD C LYS 61 ? ? CE C LYS 61 ? ? 1.807 1.508 0.299 0.025 N +762 1 CE C LYS 61 ? ? NZ C LYS 61 ? ? 1.977 1.486 0.491 0.025 N +763 1 CA C LYS 61 ? ? C C LYS 61 ? ? 1.764 1.525 0.239 0.026 N +764 1 CA C ALA 63 ? ? C C ALA 63 ? ? 1.361 1.525 -0.164 0.026 N +765 1 CB C ASP 64 ? ? CG C ASP 64 ? ? 1.661 1.513 0.148 0.021 N +766 1 CG C ASP 64 ? ? OD2 C ASP 64 ? ? 1.070 1.249 -0.179 0.023 N +767 1 C C ALA 65 ? ? N C LEU 66 ? ? 1.494 1.336 0.158 0.023 Y +768 1 N C ASN 68 ? ? CA C ASN 68 ? ? 1.328 1.459 -0.131 0.020 N +769 1 CG C ASN 68 ? ? OD1 C ASN 68 ? ? 0.916 1.235 -0.319 0.022 N +770 1 CG C ASN 68 ? ? ND2 C ASN 68 ? ? 1.543 1.324 0.219 0.025 N +771 1 C C ASN 68 ? ? O C ASN 68 ? ? 1.475 1.229 0.246 0.019 N +772 1 N C ALA 69 ? ? CA C ALA 69 ? ? 1.641 1.459 0.182 0.020 N +773 1 N C VAL 70 ? ? CA C VAL 70 ? ? 1.677 1.459 0.218 0.020 N +774 1 CA C VAL 70 ? ? C C VAL 70 ? ? 1.741 1.525 0.216 0.026 N +775 1 C C VAL 70 ? ? N C ALA 71 ? ? 0.988 1.336 -0.348 0.023 Y +776 1 N C ALA 71 ? ? CA C ALA 71 ? ? 1.667 1.459 0.208 0.020 N +777 1 CA C ALA 71 ? ? CB C ALA 71 ? ? 1.281 1.520 -0.239 0.021 N +778 1 CA C ALA 71 ? ? C C ALA 71 ? ? 1.284 1.525 -0.241 0.026 N +779 1 N C HIS 72 ? ? CA C HIS 72 ? ? 1.278 1.459 -0.181 0.020 N +780 1 CA C HIS 72 ? ? CB C HIS 72 ? ? 1.855 1.535 0.320 0.022 N +781 1 CB C HIS 72 ? ? CG C HIS 72 ? ? 1.216 1.492 -0.276 0.016 N +782 1 CG C HIS 72 ? ? CD2 C HIS 72 ? ? 1.620 1.354 0.266 0.009 N +783 1 CG C HIS 72 ? ? ND1 C HIS 72 ? ? 1.796 1.383 0.413 0.022 N +784 1 ND1 C HIS 72 ? ? CE1 C HIS 72 ? ? 1.062 1.323 -0.261 0.015 N +785 1 CA C HIS 72 ? ? C C HIS 72 ? ? 1.193 1.525 -0.332 0.026 N +786 1 C C HIS 72 ? ? O C HIS 72 ? ? 1.452 1.229 0.223 0.019 N +787 1 N C VAL 73 ? ? CA C VAL 73 ? ? 1.335 1.459 -0.124 0.020 N +788 1 CA C VAL 73 ? ? CB C VAL 73 ? ? 1.799 1.543 0.256 0.021 N +789 1 CB C VAL 73 ? ? CG1 C VAL 73 ? ? 1.397 1.524 -0.127 0.021 N +790 1 CA C VAL 73 ? ? C C VAL 73 ? ? 1.688 1.525 0.163 0.026 N +791 1 N C ASP 74 ? ? CA C ASP 74 ? ? 1.598 1.459 0.139 0.020 N +792 1 CB C ASP 74 ? ? CG C ASP 74 ? ? 1.349 1.513 -0.164 0.021 N +793 1 CG C ASP 74 ? ? OD1 C ASP 74 ? ? 1.517 1.249 0.268 0.023 N +794 1 C C ASP 74 ? ? O C ASP 74 ? ? 0.907 1.229 -0.322 0.019 N +795 1 N C ASP 75 ? ? CA C ASP 75 ? ? 1.707 1.459 0.248 0.020 N +796 1 C C ASP 75 ? ? N C MET 76 ? ? 1.588 1.336 0.252 0.023 Y +797 1 CG C MET 76 ? ? SD C MET 76 ? ? 2.052 1.807 0.245 0.026 N +798 1 CA C MET 76 ? ? C C MET 76 ? ? 1.330 1.525 -0.195 0.026 N +799 1 CA C PRO 77 ? ? C C PRO 77 ? ? 1.347 1.524 -0.177 0.020 N +800 1 CA C ASN 78 ? ? CB C ASN 78 ? ? 1.697 1.527 0.170 0.026 N +801 1 CB C ASN 78 ? ? CG C ASN 78 ? ? 1.765 1.506 0.259 0.023 N +802 1 CA C ASN 78 ? ? C C ASN 78 ? ? 1.143 1.525 -0.382 0.026 N +803 1 C C ASN 78 ? ? N C ALA 79 ? ? 1.501 1.336 0.165 0.023 Y +804 1 CA C SER 81 ? ? CB C SER 81 ? ? 1.662 1.525 0.137 0.015 N +805 1 CB C SER 81 ? ? OG C SER 81 ? ? 1.538 1.418 0.120 0.013 N +806 1 C C LEU 83 ? ? O C LEU 83 ? ? 1.372 1.229 0.143 0.019 N +807 1 CA C SER 84 ? ? CB C SER 84 ? ? 1.792 1.525 0.267 0.015 N +808 1 CB C SER 84 ? ? OG C SER 84 ? ? 1.181 1.418 -0.237 0.013 N +809 1 CG C ASP 85 ? ? OD1 C ASP 85 ? ? 1.050 1.249 -0.199 0.023 N +810 1 CG C HIS 87 ? ? CD2 C HIS 87 ? ? 1.464 1.354 0.110 0.009 N +811 1 CE1 C HIS 87 ? ? NE2 C HIS 87 ? ? 1.165 1.317 -0.152 0.011 N +812 1 CA C HIS 87 ? ? C C HIS 87 ? ? 1.819 1.525 0.294 0.026 N +813 1 CA C ALA 88 ? ? C C ALA 88 ? ? 1.682 1.525 0.157 0.026 N +814 1 CE1 C HIS 89 ? ? NE2 C HIS 89 ? ? 1.188 1.317 -0.129 0.011 N +815 1 N C LYS 90 ? ? CA C LYS 90 ? ? 1.309 1.459 -0.150 0.020 N +816 1 CG C LYS 90 ? ? CD C LYS 90 ? ? 1.896 1.520 0.376 0.034 N +817 1 CD C LYS 90 ? ? CE C LYS 90 ? ? 1.908 1.508 0.400 0.025 N +818 1 CE C LYS 90 ? ? NZ C LYS 90 ? ? 2.063 1.486 0.577 0.025 N +819 1 CD C ARG 92 ? ? NE C ARG 92 ? ? 1.076 1.460 -0.384 0.017 N +820 1 NE C ARG 92 ? ? CZ C ARG 92 ? ? 2.965 1.326 1.639 0.013 N +821 1 CZ C ARG 92 ? ? NH1 C ARG 92 ? ? 1.869 1.326 0.543 0.013 N +822 1 CZ C ARG 92 ? ? NH2 C ARG 92 ? ? 0.982 1.326 -0.344 0.013 N +823 1 C C ARG 92 ? ? O C ARG 92 ? ? 1.037 1.229 -0.192 0.019 N +824 1 CG C ASP 94 ? ? OD1 C ASP 94 ? ? 1.077 1.249 -0.172 0.023 N +825 1 N C PRO 95 ? ? CA C PRO 95 ? ? 1.612 1.468 0.144 0.017 N +826 1 CA C PRO 95 ? ? C C PRO 95 ? ? 1.343 1.524 -0.181 0.020 N +827 1 C C PRO 95 ? ? O C PRO 95 ? ? 1.357 1.228 0.129 0.020 N +828 1 CB C VAL 96 ? ? CG2 C VAL 96 ? ? 1.353 1.524 -0.171 0.021 N +829 1 CG C PHE 98 ? ? CD2 C PHE 98 ? ? 1.282 1.383 -0.101 0.015 N +830 1 CB C LYS 99 ? ? CG C LYS 99 ? ? 0.738 1.521 -0.783 0.027 N +831 1 CG C LYS 99 ? ? CD C LYS 99 ? ? 1.821 1.520 0.301 0.034 N +832 1 CD C LYS 99 ? ? CE C LYS 99 ? ? 2.261 1.508 0.753 0.025 N +833 1 C C LYS 99 ? ? O C LYS 99 ? ? 1.111 1.229 -0.118 0.019 N +834 1 CG C HIS 103 ? ? ND1 C HIS 103 ? ? 1.585 1.383 0.202 0.022 N +835 1 CG C LEU 105 ? ? CD1 C LEU 105 ? ? 1.789 1.514 0.275 0.037 N +836 1 CG C LEU 105 ? ? CD2 C LEU 105 ? ? 2.119 1.514 0.605 0.037 N +837 1 N C LEU 106 ? ? CA C LEU 106 ? ? 1.582 1.459 0.123 0.020 N +838 1 CA C LEU 106 ? ? C C LEU 106 ? ? 1.332 1.525 -0.193 0.026 N +839 1 C C LEU 109 ? ? N C ALA 110 ? ? 1.488 1.336 0.152 0.023 Y +840 1 C C ALA 110 ? ? O C ALA 110 ? ? 1.359 1.229 0.130 0.019 N +841 1 CB C HIS 112 ? ? CG C HIS 112 ? ? 1.311 1.492 -0.181 0.016 N +842 1 CG C HIS 112 ? ? ND1 C HIS 112 ? ? 1.781 1.383 0.398 0.022 N +843 1 C C HIS 112 ? ? N C LEU 113 ? ? 1.168 1.336 -0.168 0.023 Y +844 1 CA C LEU 113 ? ? CB C LEU 113 ? ? 1.330 1.533 -0.203 0.023 N +845 1 CG C LEU 113 ? ? CD1 C LEU 113 ? ? 1.750 1.514 0.236 0.037 N +846 1 CG C LEU 113 ? ? CD2 C LEU 113 ? ? 1.215 1.514 -0.299 0.037 N +847 1 N C PRO 114 ? ? CA C PRO 114 ? ? 1.720 1.468 0.252 0.017 N +848 1 CA C PRO 114 ? ? CB C PRO 114 ? ? 1.320 1.531 -0.211 0.020 N +849 1 CD C PRO 114 ? ? N C PRO 114 ? ? 1.590 1.474 0.116 0.014 N +850 1 CA C PRO 114 ? ? C C PRO 114 ? ? 1.905 1.524 0.381 0.020 N +851 1 C C PRO 114 ? ? O C PRO 114 ? ? 1.382 1.228 0.154 0.020 N +852 1 N C ALA 115 ? ? CA C ALA 115 ? ? 1.287 1.459 -0.172 0.020 N +853 1 CA C ALA 115 ? ? CB C ALA 115 ? ? 1.705 1.520 0.185 0.021 N +854 1 CA C ALA 115 ? ? C C ALA 115 ? ? 1.214 1.525 -0.311 0.026 N +855 1 CB C GLU 116 ? ? CG C GLU 116 ? ? 2.333 1.517 0.816 0.019 N +856 1 CD C GLU 116 ? ? OE1 C GLU 116 ? ? 1.127 1.252 -0.125 0.011 N +857 1 CD C GLU 116 ? ? OE2 C GLU 116 ? ? 1.452 1.252 0.200 0.011 N +858 1 CG C PHE 117 ? ? CD1 C PHE 117 ? ? 1.489 1.383 0.106 0.015 N +859 1 CD1 C PHE 117 ? ? CE1 C PHE 117 ? ? 1.599 1.388 0.211 0.020 N +860 1 CA C THR 118 ? ? CB C THR 118 ? ? 1.751 1.529 0.222 0.026 N +861 1 CB C THR 118 ? ? CG2 C THR 118 ? ? 1.111 1.519 -0.408 0.033 N +862 1 C C THR 118 ? ? N C PRO 119 ? ? 1.068 1.338 -0.270 0.019 Y +863 1 CD C PRO 119 ? ? N C PRO 119 ? ? 1.632 1.474 0.158 0.014 N +864 1 C C ALA 120 ? ? O C ALA 120 ? ? 1.350 1.229 0.121 0.019 N +865 1 CA C HIS 122 ? ? CB C HIS 122 ? ? 1.396 1.535 -0.139 0.022 N +866 1 CG C HIS 122 ? ? CD2 C HIS 122 ? ? 1.474 1.354 0.120 0.009 N +867 1 CA C SER 124 ? ? CB C SER 124 ? ? 1.626 1.525 0.101 0.015 N +868 1 CB C ASP 126 ? ? CG C ASP 126 ? ? 1.698 1.513 0.185 0.021 N +869 1 C C LYS 127 ? ? O C LYS 127 ? ? 1.421 1.229 0.192 0.019 N +870 1 CB C PHE 128 ? ? CG C PHE 128 ? ? 1.678 1.509 0.169 0.017 N +871 1 CG C PHE 128 ? ? CD2 C PHE 128 ? ? 1.218 1.383 -0.165 0.015 N +872 1 CE1 C PHE 128 ? ? CZ C PHE 128 ? ? 1.252 1.369 -0.117 0.019 N +873 1 CZ C PHE 128 ? ? CE2 C PHE 128 ? ? 1.250 1.369 -0.119 0.019 N +874 1 CE2 C PHE 128 ? ? CD2 C PHE 128 ? ? 1.575 1.388 0.187 0.020 N +875 1 CA C PHE 128 ? ? C C PHE 128 ? ? 1.726 1.525 0.201 0.026 N +876 1 C C PHE 128 ? ? O C PHE 128 ? ? 1.344 1.229 0.115 0.019 N +877 1 CA C ALA 130 ? ? CB C ALA 130 ? ? 1.387 1.520 -0.133 0.021 N +878 1 C C ALA 130 ? ? O C ALA 130 ? ? 1.360 1.229 0.131 0.019 N +879 1 N C SER 131 ? ? CA C SER 131 ? ? 1.626 1.459 0.167 0.020 N +880 1 CA C SER 131 ? ? CB C SER 131 ? ? 1.727 1.525 0.202 0.015 N +881 1 CB C SER 131 ? ? OG C SER 131 ? ? 1.507 1.418 0.089 0.013 N +882 1 CA C SER 131 ? ? C C SER 131 ? ? 1.756 1.525 0.231 0.026 N +883 1 CA C VAL 132 ? ? CB C VAL 132 ? ? 1.400 1.543 -0.143 0.021 N +884 1 CB C VAL 132 ? ? CG2 C VAL 132 ? ? 1.721 1.524 0.197 0.021 N +885 1 C C SER 133 ? ? O C SER 133 ? ? 1.446 1.229 0.217 0.019 N +886 1 C C SER 133 ? ? N C THR 134 ? ? 1.177 1.336 -0.159 0.023 Y +887 1 CB C THR 137 ? ? OG1 C THR 137 ? ? 1.219 1.428 -0.209 0.020 N +888 1 CA C THR 137 ? ? C C THR 137 ? ? 1.742 1.525 0.217 0.026 N +889 1 CA C SER 138 ? ? CB C SER 138 ? ? 2.140 1.525 0.615 0.015 N +890 1 CB C SER 138 ? ? OG C SER 138 ? ? 1.292 1.418 -0.126 0.013 N +891 1 CG C LYS 139 ? ? CD C LYS 139 ? ? 1.292 1.520 -0.228 0.034 N +892 1 CD C LYS 139 ? ? CE C LYS 139 ? ? 1.953 1.508 0.445 0.025 N +893 1 CE C LYS 139 ? ? NZ C LYS 139 ? ? 1.840 1.486 0.354 0.025 N +894 1 CG C TYR 140 ? ? CD2 C TYR 140 ? ? 1.494 1.387 0.107 0.013 N +895 1 CG C TYR 140 ? ? CD1 C TYR 140 ? ? 1.222 1.387 -0.165 0.013 N +896 1 CZ C TYR 140 ? ? CE2 C TYR 140 ? ? 1.223 1.381 -0.158 0.013 N +897 1 CZ C ARG 141 ? ? NH2 C ARG 141 ? ? 1.441 1.326 0.115 0.013 N +898 1 N D VAL 1 ? ? CA D VAL 1 ? ? 1.770 1.459 0.311 0.020 N +899 1 CA D VAL 1 ? ? CB D VAL 1 ? ? 1.696 1.543 0.153 0.021 N +900 1 CB D VAL 1 ? ? CG1 D VAL 1 ? ? 1.729 1.524 0.205 0.021 N +901 1 CB D VAL 1 ? ? CG2 D VAL 1 ? ? 1.172 1.524 -0.352 0.021 N +902 1 CA D VAL 1 ? ? C D VAL 1 ? ? 2.020 1.525 0.495 0.026 N +903 1 C D VAL 1 ? ? N D HIS 2 ? ? 1.182 1.336 -0.154 0.023 Y +904 1 CA D HIS 2 ? ? CB D HIS 2 ? ? 2.214 1.535 0.679 0.022 N +905 1 CB D HIS 2 ? ? CG D HIS 2 ? ? 1.051 1.492 -0.441 0.016 N +906 1 CG D HIS 2 ? ? CD2 D HIS 2 ? ? 1.854 1.354 0.500 0.009 N +907 1 CG D HIS 2 ? ? ND1 D HIS 2 ? ? 2.479 1.383 1.096 0.022 N +908 1 ND1 D HIS 2 ? ? CE1 D HIS 2 ? ? 1.899 1.343 0.556 0.025 N +909 1 CE1 D HIS 2 ? ? NE2 D HIS 2 ? ? 1.905 1.333 0.572 0.019 N +910 1 NE2 D HIS 2 ? ? CD2 D HIS 2 ? ? 1.575 1.415 0.160 0.021 N +911 1 C D HIS 2 ? ? O D HIS 2 ? ? 1.540 1.229 0.311 0.019 N +912 1 C D LEU 3 ? ? O D LEU 3 ? ? 1.765 1.229 0.536 0.019 N +913 1 C D LEU 3 ? ? N D THR 4 ? ? 1.520 1.336 0.184 0.023 Y +914 1 N D THR 4 ? ? CA D THR 4 ? ? 1.243 1.459 -0.216 0.020 N +915 1 CA D THR 4 ? ? CB D THR 4 ? ? 1.817 1.529 0.288 0.026 N +916 1 CB D THR 4 ? ? CG2 D THR 4 ? ? 1.232 1.519 -0.287 0.033 N +917 1 C D THR 4 ? ? O D THR 4 ? ? 1.412 1.229 0.183 0.019 N +918 1 C D THR 4 ? ? N D PRO 5 ? ? 0.968 1.338 -0.370 0.019 Y +919 1 N D PRO 5 ? ? CA D PRO 5 ? ? 1.838 1.468 0.370 0.017 N +920 1 CA D PRO 5 ? ? CB D PRO 5 ? ? 2.309 1.531 0.778 0.020 N +921 1 CB D PRO 5 ? ? CG D PRO 5 ? ? 1.053 1.495 -0.442 0.050 N +922 1 CD D PRO 5 ? ? N D PRO 5 ? ? 1.577 1.474 0.103 0.014 N +923 1 N D GLU 6 ? ? CA D GLU 6 ? ? 1.314 1.459 -0.145 0.020 N +924 1 CA D GLU 6 ? ? CB D GLU 6 ? ? 1.724 1.535 0.189 0.022 N +925 1 CB D GLU 6 ? ? CG D GLU 6 ? ? 0.939 1.517 -0.578 0.019 N +926 1 CG D GLU 6 ? ? CD D GLU 6 ? ? 1.970 1.515 0.455 0.015 N +927 1 CD D GLU 6 ? ? OE1 D GLU 6 ? ? 0.938 1.252 -0.314 0.011 N +928 1 CD D GLU 6 ? ? OE2 D GLU 6 ? ? 2.591 1.252 1.339 0.011 N +929 1 CA D GLU 6 ? ? C D GLU 6 ? ? 2.305 1.525 0.780 0.026 N +930 1 C D GLU 6 ? ? O D GLU 6 ? ? 1.019 1.229 -0.210 0.019 N +931 1 CB D GLU 7 ? ? CG D GLU 7 ? ? 1.876 1.517 0.359 0.019 N +932 1 CG D GLU 7 ? ? CD D GLU 7 ? ? 1.349 1.515 -0.166 0.015 N +933 1 CD D GLU 7 ? ? OE1 D GLU 7 ? ? 1.464 1.252 0.212 0.011 N +934 1 CD D GLU 7 ? ? OE2 D GLU 7 ? ? 1.382 1.252 0.130 0.011 N +935 1 CA D GLU 7 ? ? C D GLU 7 ? ? 1.746 1.525 0.221 0.026 N +936 1 C D GLU 7 ? ? N D LYS 8 ? ? 1.179 1.336 -0.157 0.023 Y +937 1 N D LYS 8 ? ? CA D LYS 8 ? ? 1.680 1.459 0.221 0.020 N +938 1 CA D LYS 8 ? ? CB D LYS 8 ? ? 1.851 1.535 0.316 0.022 N +939 1 CB D LYS 8 ? ? CG D LYS 8 ? ? 1.789 1.521 0.268 0.027 N +940 1 CG D LYS 8 ? ? CD D LYS 8 ? ? 1.225 1.520 -0.295 0.034 N +941 1 CD D LYS 8 ? ? CE D LYS 8 ? ? 2.031 1.508 0.523 0.025 N +942 1 CE D LYS 8 ? ? NZ D LYS 8 ? ? 1.937 1.486 0.451 0.025 N +943 1 CA D LYS 8 ? ? C D LYS 8 ? ? 1.324 1.525 -0.201 0.026 N +944 1 CB D SER 9 ? ? OG D SER 9 ? ? 1.161 1.418 -0.257 0.013 N +945 1 N D ALA 10 ? ? CA D ALA 10 ? ? 1.605 1.459 0.146 0.020 N +946 1 CA D ALA 10 ? ? CB D ALA 10 ? ? 1.375 1.520 -0.145 0.021 N +947 1 CA D ALA 10 ? ? C D ALA 10 ? ? 1.754 1.525 0.229 0.026 N +948 1 CB D VAL 11 ? ? CG1 D VAL 11 ? ? 1.279 1.524 -0.245 0.021 N +949 1 CB D VAL 11 ? ? CG2 D VAL 11 ? ? 1.695 1.524 0.171 0.021 N +950 1 N D THR 12 ? ? CA D THR 12 ? ? 1.684 1.459 0.225 0.020 N +951 1 CA D THR 12 ? ? CB D THR 12 ? ? 1.929 1.529 0.400 0.026 N +952 1 CA D THR 12 ? ? C D THR 12 ? ? 1.368 1.525 -0.157 0.026 N +953 1 C D THR 12 ? ? O D THR 12 ? ? 1.394 1.229 0.165 0.019 N +954 1 CA D ALA 13 ? ? CB D ALA 13 ? ? 1.108 1.520 -0.412 0.021 N +955 1 C D ALA 13 ? ? O D ALA 13 ? ? 1.101 1.229 -0.128 0.019 N +956 1 C D ALA 13 ? ? N D LEU 14 ? ? 1.523 1.336 0.187 0.023 Y +957 1 N D LEU 14 ? ? CA D LEU 14 ? ? 1.329 1.459 -0.130 0.020 N +958 1 CA D LEU 14 ? ? CB D LEU 14 ? ? 1.721 1.533 0.188 0.023 N +959 1 CG D TRP 15 ? ? CD2 D TRP 15 ? ? 1.546 1.432 0.114 0.017 N +960 1 NE1 D TRP 15 ? ? CE2 D TRP 15 ? ? 1.489 1.371 0.118 0.013 N +961 1 CE2 D TRP 15 ? ? CD2 D TRP 15 ? ? 1.579 1.409 0.170 0.012 N +962 1 CZ3 D TRP 15 ? ? CH2 D TRP 15 ? ? 1.545 1.396 0.149 0.016 N +963 1 CH2 D TRP 15 ? ? CZ2 D TRP 15 ? ? 1.226 1.369 -0.143 0.019 N +964 1 CA D GLY 16 ? ? C D GLY 16 ? ? 1.390 1.514 -0.124 0.016 N +965 1 C D GLY 16 ? ? O D GLY 16 ? ? 1.356 1.232 0.124 0.016 N +966 1 CB D LYS 17 ? ? CG D LYS 17 ? ? 1.317 1.521 -0.204 0.027 N +967 1 CE D LYS 17 ? ? NZ D LYS 17 ? ? 1.982 1.486 0.496 0.025 N +968 1 C D LYS 17 ? ? N D VAL 18 ? ? 1.606 1.336 0.270 0.023 Y +969 1 N D VAL 18 ? ? CA D VAL 18 ? ? 1.700 1.459 0.241 0.020 N +970 1 CA D VAL 18 ? ? CB D VAL 18 ? ? 1.257 1.543 -0.286 0.021 N +971 1 CB D VAL 18 ? ? CG1 D VAL 18 ? ? 1.294 1.524 -0.230 0.021 N +972 1 CB D VAL 18 ? ? CG2 D VAL 18 ? ? 1.796 1.524 0.272 0.021 N +973 1 CA D VAL 18 ? ? C D VAL 18 ? ? 1.728 1.525 0.203 0.026 N +974 1 C D VAL 18 ? ? N D ASN 19 ? ? 1.181 1.336 -0.155 0.023 Y +975 1 CB D ASN 19 ? ? CG D ASN 19 ? ? 1.718 1.506 0.212 0.023 N +976 1 CG D ASN 19 ? ? OD1 D ASN 19 ? ? 1.598 1.235 0.363 0.022 N +977 1 CG D ASN 19 ? ? ND2 D ASN 19 ? ? 1.711 1.324 0.387 0.025 N +978 1 CA D ASN 19 ? ? C D ASN 19 ? ? 1.258 1.525 -0.267 0.026 N +979 1 C D ASN 19 ? ? O D ASN 19 ? ? 1.441 1.229 0.212 0.019 N +980 1 C D ASN 19 ? ? N D VAL 20 ? ? 1.150 1.336 -0.186 0.023 Y +981 1 N D VAL 20 ? ? CA D VAL 20 ? ? 1.632 1.459 0.173 0.020 N +982 1 CA D VAL 20 ? ? CB D VAL 20 ? ? 2.095 1.543 0.552 0.021 N +983 1 CB D VAL 20 ? ? CG1 D VAL 20 ? ? 1.150 1.524 -0.374 0.021 N +984 1 CB D VAL 20 ? ? CG2 D VAL 20 ? ? 1.175 1.524 -0.349 0.021 N +985 1 CA D VAL 20 ? ? C D VAL 20 ? ? 1.187 1.525 -0.338 0.026 N +986 1 CB D ASP 21 ? ? CG D ASP 21 ? ? 1.779 1.513 0.266 0.021 N +987 1 CG D ASP 21 ? ? OD1 D ASP 21 ? ? 1.585 1.249 0.336 0.023 N +988 1 CA D ASP 21 ? ? C D ASP 21 ? ? 0.967 1.525 -0.558 0.026 N +989 1 C D ASP 21 ? ? O D ASP 21 ? ? 1.503 1.229 0.274 0.019 N +990 1 CB D GLU 22 ? ? CG D GLU 22 ? ? 0.756 1.517 -0.761 0.019 N +991 1 CG D GLU 22 ? ? CD D GLU 22 ? ? 2.386 1.515 0.871 0.015 N +992 1 CD D GLU 22 ? ? OE1 D GLU 22 ? ? 1.441 1.252 0.189 0.011 N +993 1 CA D GLU 22 ? ? C D GLU 22 ? ? 1.826 1.525 0.301 0.026 N +994 1 CB D VAL 23 ? ? CG1 D VAL 23 ? ? 1.345 1.524 -0.179 0.021 N +995 1 CA D GLY 25 ? ? C D GLY 25 ? ? 1.392 1.514 -0.122 0.016 N +996 1 CB D GLU 26 ? ? CG D GLU 26 ? ? 2.179 1.517 0.662 0.019 N +997 1 CG D GLU 26 ? ? CD D GLU 26 ? ? 1.902 1.515 0.387 0.015 N +998 1 CD D GLU 26 ? ? OE1 D GLU 26 ? ? 1.790 1.252 0.538 0.011 N +999 1 CD D GLU 26 ? ? OE2 D GLU 26 ? ? 1.706 1.252 0.454 0.011 N +1000 1 CA D GLU 26 ? ? C D GLU 26 ? ? 1.707 1.525 0.182 0.026 N +1001 1 CD D ARG 30 ? ? NE D ARG 30 ? ? 1.227 1.460 -0.233 0.017 N +1002 1 CZ D ARG 30 ? ? NH2 D ARG 30 ? ? 1.434 1.326 0.108 0.013 N +1003 1 C D ARG 30 ? ? N D LEU 31 ? ? 1.193 1.336 -0.143 0.023 Y +1004 1 CG D LEU 32 ? ? CD2 D LEU 32 ? ? 1.274 1.514 -0.240 0.037 N +1005 1 C D LEU 32 ? ? O D LEU 32 ? ? 1.357 1.229 0.128 0.019 N +1006 1 CG D TYR 35 ? ? CD2 D TYR 35 ? ? 1.235 1.387 -0.152 0.013 N +1007 1 N D PRO 36 ? ? CA D PRO 36 ? ? 1.626 1.468 0.158 0.017 N +1008 1 CD D PRO 36 ? ? N D PRO 36 ? ? 1.303 1.474 -0.171 0.014 N +1009 1 CE2 D TRP 37 ? ? CZ2 D TRP 37 ? ? 1.561 1.393 0.168 0.017 N +1010 1 CE2 D TRP 37 ? ? CD2 D TRP 37 ? ? 1.335 1.409 -0.074 0.012 N +1011 1 CD D GLN 39 ? ? OE1 D GLN 39 ? ? 1.408 1.235 0.173 0.022 N +1012 1 CB D ARG 40 ? ? CG D ARG 40 ? ? 1.210 1.521 -0.311 0.027 N +1013 1 CD D ARG 40 ? ? NE D ARG 40 ? ? 1.281 1.460 -0.179 0.017 N +1014 1 NE D ARG 40 ? ? CZ D ARG 40 ? ? 1.467 1.326 0.141 0.013 N +1015 1 CZ D ARG 40 ? ? NH1 D ARG 40 ? ? 1.145 1.326 -0.181 0.013 N +1016 1 CZ D ARG 40 ? ? NH2 D ARG 40 ? ? 1.463 1.326 0.137 0.013 N +1017 1 C D ARG 40 ? ? O D ARG 40 ? ? 1.463 1.229 0.234 0.019 N +1018 1 CB D PHE 41 ? ? CG D PHE 41 ? ? 1.644 1.509 0.135 0.017 N +1019 1 CG D PHE 41 ? ? CD2 D PHE 41 ? ? 1.259 1.383 -0.124 0.015 N +1020 1 CE1 D PHE 41 ? ? CZ D PHE 41 ? ? 1.079 1.369 -0.290 0.019 N +1021 1 CA D PHE 41 ? ? C D PHE 41 ? ? 1.732 1.525 0.207 0.026 N +1022 1 CG D PHE 42 ? ? CD1 D PHE 42 ? ? 1.684 1.383 0.301 0.015 N +1023 1 CE1 D PHE 42 ? ? CZ D PHE 42 ? ? 1.196 1.369 -0.173 0.019 N +1024 1 CZ D PHE 42 ? ? CE2 D PHE 42 ? ? 1.558 1.369 0.189 0.019 N +1025 1 N D GLU 43 ? ? CA D GLU 43 ? ? 1.607 1.459 0.148 0.020 N +1026 1 CA D GLU 43 ? ? CB D GLU 43 ? ? 1.182 1.535 -0.353 0.022 N +1027 1 CB D GLU 43 ? ? CG D GLU 43 ? ? 0.777 1.517 -0.740 0.019 N +1028 1 CG D GLU 43 ? ? CD D GLU 43 ? ? 1.918 1.515 0.403 0.015 N +1029 1 CD D GLU 43 ? ? OE1 D GLU 43 ? ? 1.602 1.252 0.350 0.011 N +1030 1 CD D GLU 43 ? ? OE2 D GLU 43 ? ? 1.586 1.252 0.334 0.011 N +1031 1 CA D GLU 43 ? ? C D GLU 43 ? ? 1.937 1.525 0.412 0.026 N +1032 1 C D GLU 43 ? ? O D GLU 43 ? ? 1.068 1.229 -0.161 0.019 N +1033 1 CA D SER 44 ? ? CB D SER 44 ? ? 1.344 1.525 -0.181 0.015 N +1034 1 CB D SER 44 ? ? OG D SER 44 ? ? 1.254 1.418 -0.164 0.013 N +1035 1 CA D SER 44 ? ? C D SER 44 ? ? 1.338 1.525 -0.187 0.026 N +1036 1 C D SER 44 ? ? N D PHE 45 ? ? 1.488 1.336 0.152 0.023 Y +1037 1 CG D PHE 45 ? ? CD2 D PHE 45 ? ? 1.225 1.383 -0.158 0.015 N +1038 1 CD1 D PHE 45 ? ? CE1 D PHE 45 ? ? 1.605 1.388 0.217 0.020 N +1039 1 CA D PHE 45 ? ? C D PHE 45 ? ? 1.724 1.525 0.199 0.026 N +1040 1 C D PHE 45 ? ? O D PHE 45 ? ? 1.371 1.229 0.142 0.019 N +1041 1 C D PHE 45 ? ? N D GLY 46 ? ? 0.867 1.336 -0.469 0.023 Y +1042 1 N D GLY 46 ? ? CA D GLY 46 ? ? 1.314 1.456 -0.142 0.015 N +1043 1 CA D GLY 46 ? ? C D GLY 46 ? ? 1.822 1.514 0.308 0.016 N +1044 1 C D GLY 46 ? ? O D GLY 46 ? ? 1.401 1.232 0.169 0.016 N +1045 1 N D ASP 47 ? ? CA D ASP 47 ? ? 2.088 1.459 0.629 0.020 N +1046 1 CA D ASP 47 ? ? CB D ASP 47 ? ? 1.942 1.535 0.407 0.022 N +1047 1 CB D ASP 47 ? ? CG D ASP 47 ? ? 1.756 1.513 0.243 0.021 N +1048 1 CA D ASP 47 ? ? C D ASP 47 ? ? 2.426 1.525 0.901 0.026 N +1049 1 C D ASP 47 ? ? O D ASP 47 ? ? 1.346 1.229 0.117 0.019 N +1050 1 C D ASP 47 ? ? N D LEU 48 ? ? 1.186 1.336 -0.150 0.023 Y +1051 1 N D LEU 48 ? ? CA D LEU 48 ? ? 1.717 1.459 0.258 0.020 N +1052 1 CA D LEU 48 ? ? CB D LEU 48 ? ? 1.344 1.533 -0.189 0.023 N +1053 1 CG D LEU 48 ? ? CD1 D LEU 48 ? ? 1.752 1.514 0.238 0.037 N +1054 1 CA D LEU 48 ? ? C D LEU 48 ? ? 1.686 1.525 0.161 0.026 N +1055 1 C D LEU 48 ? ? N D SER 49 ? ? 1.512 1.336 0.176 0.023 Y +1056 1 CA D SER 49 ? ? C D SER 49 ? ? 1.863 1.525 0.338 0.026 N +1057 1 C D SER 49 ? ? O D SER 49 ? ? 1.400 1.229 0.171 0.019 N +1058 1 N D THR 50 ? ? CA D THR 50 ? ? 1.708 1.459 0.249 0.020 N +1059 1 CA D THR 50 ? ? CB D THR 50 ? ? 2.108 1.529 0.579 0.026 N +1060 1 CA D THR 50 ? ? C D THR 50 ? ? 1.714 1.525 0.189 0.026 N +1061 1 CD D PRO 51 ? ? N D PRO 51 ? ? 1.586 1.474 0.112 0.014 N +1062 1 CA D PRO 51 ? ? C D PRO 51 ? ? 1.388 1.524 -0.136 0.020 N +1063 1 C D PRO 51 ? ? O D PRO 51 ? ? 1.371 1.228 0.143 0.020 N +1064 1 C D PRO 51 ? ? N D ASP 52 ? ? 1.474 1.336 0.138 0.023 Y +1065 1 N D ASP 52 ? ? CA D ASP 52 ? ? 1.764 1.459 0.305 0.020 N +1066 1 CB D ASP 52 ? ? CG D ASP 52 ? ? 1.753 1.513 0.240 0.021 N +1067 1 CG D ASP 52 ? ? OD2 D ASP 52 ? ? 2.443 1.249 1.194 0.023 N +1068 1 CA D ALA 53 ? ? CB D ALA 53 ? ? 1.293 1.520 -0.227 0.021 N +1069 1 CA D ALA 53 ? ? C D ALA 53 ? ? 1.762 1.525 0.237 0.026 N +1070 1 C D ALA 53 ? ? O D ALA 53 ? ? 0.892 1.229 -0.337 0.019 N +1071 1 C D ALA 53 ? ? N D VAL 54 ? ? 1.557 1.336 0.221 0.023 Y +1072 1 N D VAL 54 ? ? CA D VAL 54 ? ? 1.615 1.459 0.156 0.020 N +1073 1 CB D VAL 54 ? ? CG1 D VAL 54 ? ? 1.663 1.524 0.139 0.021 N +1074 1 CB D VAL 54 ? ? CG2 D VAL 54 ? ? 1.264 1.524 -0.260 0.021 N +1075 1 C D VAL 54 ? ? O D VAL 54 ? ? 1.381 1.229 0.152 0.019 N +1076 1 CA D MET 55 ? ? CB D MET 55 ? ? 1.674 1.535 0.139 0.022 N +1077 1 CB D MET 55 ? ? CG D MET 55 ? ? 1.250 1.509 -0.259 0.032 N +1078 1 CA D MET 55 ? ? C D MET 55 ? ? 1.897 1.525 0.372 0.026 N +1079 1 CB D PRO 58 ? ? CG D PRO 58 ? ? 2.000 1.495 0.505 0.050 N +1080 1 CG D PRO 58 ? ? CD D PRO 58 ? ? 0.226 1.502 -1.276 0.033 N +1081 1 CD D PRO 58 ? ? N D PRO 58 ? ? 1.710 1.474 0.236 0.014 N +1082 1 CA D PRO 58 ? ? C D PRO 58 ? ? 1.686 1.524 0.162 0.020 N +1083 1 C D PRO 58 ? ? O D PRO 58 ? ? 1.432 1.228 0.204 0.020 N +1084 1 C D PRO 58 ? ? N D LYS 59 ? ? 1.162 1.336 -0.174 0.023 Y +1085 1 N D LYS 59 ? ? CA D LYS 59 ? ? 1.336 1.459 -0.123 0.020 N +1086 1 CG D LYS 59 ? ? CD D LYS 59 ? ? 0.974 1.520 -0.546 0.034 N +1087 1 CD D LYS 59 ? ? CE D LYS 59 ? ? 1.880 1.508 0.372 0.025 N +1088 1 CA D LYS 59 ? ? C D LYS 59 ? ? 1.757 1.525 0.232 0.026 N +1089 1 N D VAL 60 ? ? CA D VAL 60 ? ? 1.665 1.459 0.206 0.020 N +1090 1 CA D VAL 60 ? ? C D VAL 60 ? ? 1.329 1.525 -0.196 0.026 N +1091 1 C D VAL 60 ? ? N D LYS 61 ? ? 1.476 1.336 0.140 0.023 Y +1092 1 CG D LYS 61 ? ? CD D LYS 61 ? ? 1.272 1.520 -0.248 0.034 N +1093 1 CD D LYS 61 ? ? CE D LYS 61 ? ? 1.726 1.508 0.218 0.025 N +1094 1 CE D LYS 61 ? ? NZ D LYS 61 ? ? 1.234 1.486 -0.252 0.025 N +1095 1 CA D HIS 63 ? ? CB D HIS 63 ? ? 1.270 1.535 -0.265 0.022 N +1096 1 CB D HIS 63 ? ? CG D HIS 63 ? ? 1.685 1.496 0.189 0.018 N +1097 1 CG D HIS 63 ? ? CD2 D HIS 63 ? ? 1.440 1.354 0.086 0.009 N +1098 1 ND1 D HIS 63 ? ? CE1 D HIS 63 ? ? 1.632 1.343 0.289 0.025 N +1099 1 CE1 D HIS 63 ? ? NE2 D HIS 63 ? ? 1.188 1.317 -0.129 0.011 N +1100 1 C D GLY 64 ? ? N D LYS 65 ? ? 1.499 1.336 0.163 0.023 Y +1101 1 CG D LYS 65 ? ? CD D LYS 65 ? ? 2.266 1.520 0.746 0.034 N +1102 1 CD D LYS 65 ? ? CE D LYS 65 ? ? 2.203 1.508 0.695 0.025 N +1103 1 CB D LYS 66 ? ? CG D LYS 66 ? ? 1.102 1.521 -0.419 0.027 N +1104 1 CG D LYS 66 ? ? CD D LYS 66 ? ? 2.063 1.520 0.543 0.034 N +1105 1 CD D LYS 66 ? ? CE D LYS 66 ? ? 2.269 1.508 0.761 0.025 N +1106 1 CE D LYS 66 ? ? NZ D LYS 66 ? ? 1.950 1.486 0.464 0.025 N +1107 1 C D LYS 66 ? ? N D VAL 67 ? ? 1.483 1.336 0.147 0.023 Y +1108 1 CA D VAL 67 ? ? CB D VAL 67 ? ? 1.760 1.543 0.217 0.021 N +1109 1 CA D VAL 67 ? ? C D VAL 67 ? ? 1.339 1.525 -0.186 0.026 N +1110 1 CB D LEU 68 ? ? CG D LEU 68 ? ? 1.329 1.521 -0.192 0.029 N +1111 1 CG D LEU 68 ? ? CD1 D LEU 68 ? ? 1.238 1.514 -0.276 0.037 N +1112 1 C D ALA 70 ? ? O D ALA 70 ? ? 1.386 1.229 0.157 0.019 N +1113 1 N D PHE 71 ? ? CA D PHE 71 ? ? 1.633 1.459 0.174 0.020 N +1114 1 CE1 D PHE 71 ? ? CZ D PHE 71 ? ? 1.248 1.369 -0.121 0.019 N +1115 1 CA D SER 72 ? ? CB D SER 72 ? ? 1.667 1.525 0.142 0.015 N +1116 1 CB D SER 72 ? ? OG D SER 72 ? ? 1.326 1.418 -0.092 0.013 N +1117 1 CA D ASP 73 ? ? CB D ASP 73 ? ? 1.859 1.535 0.324 0.022 N +1118 1 CB D ASP 73 ? ? CG D ASP 73 ? ? 1.282 1.513 -0.231 0.021 N +1119 1 CG D ASP 73 ? ? OD1 D ASP 73 ? ? 1.580 1.249 0.331 0.023 N +1120 1 CG D ASP 73 ? ? OD2 D ASP 73 ? ? 2.258 1.249 1.009 0.023 N +1121 1 CA D ASP 73 ? ? C D ASP 73 ? ? 1.209 1.525 -0.316 0.026 N +1122 1 C D ASP 73 ? ? N D GLY 74 ? ? 1.613 1.336 0.277 0.023 Y +1123 1 N D GLY 74 ? ? CA D GLY 74 ? ? 1.366 1.456 -0.090 0.015 N +1124 1 CA D LEU 75 ? ? CB D LEU 75 ? ? 1.691 1.533 0.158 0.023 N +1125 1 CG D LEU 75 ? ? CD2 D LEU 75 ? ? 1.238 1.514 -0.276 0.037 N +1126 1 N D ALA 76 ? ? CA D ALA 76 ? ? 1.940 1.459 0.481 0.020 N +1127 1 CA D ALA 76 ? ? CB D ALA 76 ? ? 1.352 1.520 -0.168 0.021 N +1128 1 CA D ALA 76 ? ? C D ALA 76 ? ? 1.072 1.525 -0.453 0.026 N +1129 1 C D ALA 76 ? ? O D ALA 76 ? ? 1.489 1.229 0.260 0.019 N +1130 1 N D HIS 77 ? ? CA D HIS 77 ? ? 1.323 1.459 -0.136 0.020 N +1131 1 CA D HIS 77 ? ? CB D HIS 77 ? ? 1.754 1.535 0.219 0.022 N +1132 1 CG D HIS 77 ? ? CD2 D HIS 77 ? ? 1.417 1.354 0.063 0.009 N +1133 1 ND1 D HIS 77 ? ? CE1 D HIS 77 ? ? 1.908 1.343 0.565 0.025 N +1134 1 CE1 D HIS 77 ? ? NE2 D HIS 77 ? ? 1.042 1.317 -0.275 0.011 N +1135 1 NE2 D HIS 77 ? ? CD2 D HIS 77 ? ? 1.880 1.415 0.465 0.021 N +1136 1 C D HIS 77 ? ? N D LEU 78 ? ? 1.549 1.336 0.213 0.023 Y +1137 1 N D LEU 78 ? ? CA D LEU 78 ? ? 1.253 1.459 -0.206 0.020 N +1138 1 CA D LEU 78 ? ? CB D LEU 78 ? ? 1.793 1.533 0.260 0.023 N +1139 1 CG D LEU 78 ? ? CD2 D LEU 78 ? ? 0.881 1.514 -0.633 0.037 N +1140 1 C D LEU 78 ? ? O D LEU 78 ? ? 1.015 1.229 -0.214 0.019 N +1141 1 C D LEU 78 ? ? N D ASP 79 ? ? 1.497 1.336 0.161 0.023 Y +1142 1 CA D ASP 79 ? ? CB D ASP 79 ? ? 1.732 1.535 0.197 0.022 N +1143 1 CB D ASP 79 ? ? CG D ASP 79 ? ? 1.225 1.513 -0.288 0.021 N +1144 1 CG D ASP 79 ? ? OD1 D ASP 79 ? ? 1.990 1.249 0.741 0.023 N +1145 1 CG D ASP 79 ? ? OD2 D ASP 79 ? ? 1.981 1.249 0.732 0.023 N +1146 1 CA D ASP 79 ? ? C D ASP 79 ? ? 1.833 1.525 0.308 0.026 N +1147 1 N D ASN 80 ? ? CA D ASN 80 ? ? 1.755 1.459 0.296 0.020 N +1148 1 CA D ASN 80 ? ? CB D ASN 80 ? ? 1.164 1.527 -0.363 0.026 N +1149 1 CB D ASN 80 ? ? CG D ASN 80 ? ? 1.263 1.506 -0.243 0.023 N +1150 1 CG D ASN 80 ? ? OD1 D ASN 80 ? ? 1.659 1.235 0.424 0.022 N +1151 1 CA D ASN 80 ? ? C D ASN 80 ? ? 1.733 1.525 0.208 0.026 N +1152 1 C D ASN 80 ? ? O D ASN 80 ? ? 1.067 1.229 -0.162 0.019 N +1153 1 CG D LEU 81 ? ? CD1 D LEU 81 ? ? 1.246 1.514 -0.268 0.037 N +1154 1 CB D LYS 82 ? ? CG D LYS 82 ? ? 1.286 1.521 -0.235 0.027 N +1155 1 CG D LYS 82 ? ? CD D LYS 82 ? ? 1.890 1.520 0.370 0.034 N +1156 1 CD D LYS 82 ? ? CE D LYS 82 ? ? 2.415 1.508 0.907 0.025 N +1157 1 CE D LYS 82 ? ? NZ D LYS 82 ? ? 1.943 1.486 0.457 0.025 N +1158 1 C D LYS 82 ? ? N D GLY 83 ? ? 1.532 1.336 0.196 0.023 Y +1159 1 CA D GLY 83 ? ? C D GLY 83 ? ? 1.411 1.514 -0.103 0.016 N +1160 1 C D GLY 83 ? ? O D GLY 83 ? ? 1.499 1.232 0.267 0.016 N +1161 1 C D GLY 83 ? ? N D THR 84 ? ? 1.551 1.336 0.215 0.023 Y +1162 1 N D THR 84 ? ? CA D THR 84 ? ? 1.327 1.459 -0.132 0.020 N +1163 1 CB D THR 84 ? ? OG1 D THR 84 ? ? 1.225 1.428 -0.203 0.020 N +1164 1 CA D THR 84 ? ? C D THR 84 ? ? 1.683 1.525 0.158 0.026 N +1165 1 N D PHE 85 ? ? CA D PHE 85 ? ? 1.630 1.459 0.171 0.020 N +1166 1 CE1 D PHE 85 ? ? CZ D PHE 85 ? ? 1.487 1.369 0.118 0.019 N +1167 1 N D ALA 86 ? ? CA D ALA 86 ? ? 1.596 1.459 0.137 0.020 N +1168 1 CA D ALA 86 ? ? CB D ALA 86 ? ? 1.676 1.520 0.156 0.021 N +1169 1 CG D GLU 90 ? ? CD D GLU 90 ? ? 2.428 1.515 0.913 0.015 N +1170 1 CD D GLU 90 ? ? OE1 D GLU 90 ? ? 1.639 1.252 0.387 0.011 N +1171 1 C D LEU 91 ? ? N D HIS 92 ? ? 1.491 1.336 0.155 0.023 Y +1172 1 CG D HIS 92 ? ? ND1 D HIS 92 ? ? 1.550 1.383 0.167 0.022 N +1173 1 CA D HIS 92 ? ? C D HIS 92 ? ? 1.756 1.525 0.231 0.026 N +1174 1 N D CYS 93 ? ? CA D CYS 93 ? ? 1.590 1.459 0.131 0.020 N +1175 1 CB D CYS 93 ? ? SG D CYS 93 ? ? 1.998 1.818 0.180 0.017 N +1176 1 C D CYS 93 ? ? O D CYS 93 ? ? 1.054 1.229 -0.175 0.019 N +1177 1 N D ASP 94 ? ? CA D ASP 94 ? ? 1.677 1.459 0.218 0.020 N +1178 1 CB D ASP 94 ? ? CG D ASP 94 ? ? 1.654 1.513 0.141 0.021 N +1179 1 CG D ASP 94 ? ? OD1 D ASP 94 ? ? 1.061 1.249 -0.188 0.023 N +1180 1 CG D ASP 94 ? ? OD2 D ASP 94 ? ? 1.528 1.249 0.279 0.023 N +1181 1 N D LYS 95 ? ? CA D LYS 95 ? ? 1.593 1.459 0.134 0.020 N +1182 1 CG D LYS 95 ? ? CD D LYS 95 ? ? 2.164 1.520 0.644 0.034 N +1183 1 CE D LYS 95 ? ? NZ D LYS 95 ? ? 1.985 1.486 0.499 0.025 N +1184 1 CA D LYS 95 ? ? C D LYS 95 ? ? 1.366 1.525 -0.159 0.026 N +1185 1 C D LYS 95 ? ? N D LEU 96 ? ? 1.637 1.336 0.301 0.023 Y +1186 1 CB D HIS 97 ? ? CG D HIS 97 ? ? 1.654 1.496 0.158 0.018 N +1187 1 ND1 D HIS 97 ? ? CE1 D HIS 97 ? ? 1.535 1.343 0.192 0.025 N +1188 1 CB D VAL 98 ? ? CG2 D VAL 98 ? ? 1.671 1.524 0.147 0.021 N +1189 1 CB D ASP 99 ? ? CG D ASP 99 ? ? 1.661 1.513 0.148 0.021 N +1190 1 CB D GLU 101 ? ? CG D GLU 101 ? ? 1.718 1.517 0.201 0.019 N +1191 1 CG D GLU 101 ? ? CD D GLU 101 ? ? 2.065 1.515 0.550 0.015 N +1192 1 CD D GLU 101 ? ? OE2 D GLU 101 ? ? 1.450 1.252 0.198 0.011 N +1193 1 C D ASN 102 ? ? O D ASN 102 ? ? 1.438 1.229 0.209 0.019 N +1194 1 CG D PHE 103 ? ? CD1 D PHE 103 ? ? 1.488 1.383 0.105 0.015 N +1195 1 CG D ARG 104 ? ? CD D ARG 104 ? ? 1.701 1.515 0.186 0.025 N +1196 1 CD D ARG 104 ? ? NE D ARG 104 ? ? 1.838 1.460 0.378 0.017 N +1197 1 NE D ARG 104 ? ? CZ D ARG 104 ? ? 2.576 1.326 1.250 0.013 N +1198 1 CZ D ARG 104 ? ? NH1 D ARG 104 ? ? 1.481 1.326 0.155 0.013 N +1199 1 CZ D ARG 104 ? ? NH2 D ARG 104 ? ? 1.221 1.326 -0.105 0.013 N +1200 1 CA D LEU 105 ? ? CB D LEU 105 ? ? 1.375 1.533 -0.158 0.023 N +1201 1 CB D ASN 108 ? ? CG D ASN 108 ? ? 1.828 1.506 0.322 0.023 N +1202 1 CA D LEU 110 ? ? CB D LEU 110 ? ? 1.379 1.533 -0.154 0.023 N +1203 1 C D LEU 110 ? ? N D VAL 111 ? ? 1.526 1.336 0.190 0.023 Y +1204 1 C D CYS 112 ? ? O D CYS 112 ? ? 1.111 1.229 -0.118 0.019 N +1205 1 CB D VAL 113 ? ? CG2 D VAL 113 ? ? 1.742 1.524 0.218 0.021 N +1206 1 CG D HIS 116 ? ? ND1 D HIS 116 ? ? 1.248 1.369 -0.121 0.015 N +1207 1 CE1 D HIS 116 ? ? NE2 D HIS 116 ? ? 1.502 1.333 0.169 0.019 N +1208 1 CB D HIS 117 ? ? CG D HIS 117 ? ? 1.244 1.492 -0.248 0.016 N +1209 1 CG D HIS 117 ? ? CD2 D HIS 117 ? ? 1.601 1.354 0.247 0.009 N +1210 1 CG D HIS 117 ? ? ND1 D HIS 117 ? ? 1.738 1.383 0.355 0.022 N +1211 1 ND1 D HIS 117 ? ? CE1 D HIS 117 ? ? 1.645 1.343 0.302 0.025 N +1212 1 CE1 D HIS 117 ? ? NE2 D HIS 117 ? ? 0.970 1.317 -0.347 0.011 N +1213 1 NE2 D HIS 117 ? ? CD2 D HIS 117 ? ? 1.232 1.373 -0.141 0.011 N +1214 1 CG D PHE 118 ? ? CD2 D PHE 118 ? ? 1.475 1.383 0.092 0.015 N +1215 1 CE1 D PHE 118 ? ? CZ D PHE 118 ? ? 1.484 1.369 0.115 0.019 N +1216 1 CE2 D PHE 118 ? ? CD2 D PHE 118 ? ? 1.541 1.388 0.153 0.020 N +1217 1 CA D GLY 119 ? ? C D GLY 119 ? ? 1.630 1.514 0.116 0.016 N +1218 1 CB D LYS 120 ? ? CG D LYS 120 ? ? 1.353 1.521 -0.168 0.027 N +1219 1 CE D LYS 120 ? ? NZ D LYS 120 ? ? 2.292 1.486 0.806 0.025 N +1220 1 N D GLU 121 ? ? CA D GLU 121 ? ? 1.286 1.459 -0.173 0.020 N +1221 1 CA D GLU 121 ? ? CB D GLU 121 ? ? 1.792 1.535 0.257 0.022 N +1222 1 CB D GLU 121 ? ? CG D GLU 121 ? ? 1.087 1.517 -0.430 0.019 N +1223 1 CG D GLU 121 ? ? CD D GLU 121 ? ? 2.008 1.515 0.493 0.015 N +1224 1 CD D GLU 121 ? ? OE1 D GLU 121 ? ? 1.518 1.252 0.266 0.011 N +1225 1 CG D PHE 122 ? ? CD2 D PHE 122 ? ? 1.502 1.383 0.119 0.015 N +1226 1 CG D PHE 122 ? ? CD1 D PHE 122 ? ? 1.264 1.383 -0.119 0.015 N +1227 1 CD1 D PHE 122 ? ? CE1 D PHE 122 ? ? 1.526 1.388 0.138 0.020 N +1228 1 CB D THR 123 ? ? CG2 D THR 123 ? ? 1.796 1.519 0.277 0.033 N +1229 1 N D PRO 125 ? ? CA D PRO 125 ? ? 1.325 1.468 -0.143 0.017 N +1230 1 CD D PRO 125 ? ? N D PRO 125 ? ? 1.670 1.474 0.196 0.014 N +1231 1 CA D VAL 126 ? ? CB D VAL 126 ? ? 1.813 1.543 0.270 0.021 N +1232 1 CB D VAL 126 ? ? CG1 D VAL 126 ? ? 1.387 1.524 -0.137 0.021 N +1233 1 C D VAL 126 ? ? O D VAL 126 ? ? 1.096 1.229 -0.133 0.019 N +1234 1 C D VAL 126 ? ? N D GLN 127 ? ? 1.499 1.336 0.163 0.023 Y +1235 1 CD1 D TYR 130 ? ? CE1 D TYR 130 ? ? 1.559 1.389 0.170 0.015 N +1236 1 CE1 D TYR 130 ? ? CZ D TYR 130 ? ? 1.581 1.381 0.200 0.013 N +1237 1 CZ D TYR 130 ? ? CE2 D TYR 130 ? ? 1.276 1.381 -0.105 0.013 N +1238 1 CE2 D TYR 130 ? ? CD2 D TYR 130 ? ? 1.500 1.389 0.111 0.015 N +1239 1 CG D GLN 131 ? ? CD D GLN 131 ? ? 1.768 1.506 0.262 0.023 N +1240 1 C D GLN 131 ? ? O D GLN 131 ? ? 1.101 1.229 -0.128 0.019 N +1241 1 CD D LYS 132 ? ? CE D LYS 132 ? ? 1.707 1.508 0.199 0.025 N +1242 1 CE D LYS 132 ? ? NZ D LYS 132 ? ? 2.485 1.486 0.999 0.025 N +1243 1 CA D ALA 135 ? ? C D ALA 135 ? ? 1.728 1.525 0.203 0.026 N +1244 1 N D GLY 136 ? ? CA D GLY 136 ? ? 1.302 1.456 -0.154 0.015 N +1245 1 CA D VAL 137 ? ? CB D VAL 137 ? ? 1.734 1.543 0.191 0.021 N +1246 1 CA D ASN 139 ? ? CB D ASN 139 ? ? 1.203 1.527 -0.324 0.026 N +1247 1 CG D ASN 139 ? ? OD1 D ASN 139 ? ? 1.678 1.235 0.443 0.022 N +1248 1 CG D ASN 139 ? ? ND2 D ASN 139 ? ? 1.567 1.324 0.243 0.025 N +1249 1 C D ALA 140 ? ? N D LEU 141 ? ? 1.196 1.336 -0.140 0.023 Y +1250 1 CG D LEU 141 ? ? CD2 D LEU 141 ? ? 1.776 1.514 0.262 0.037 N +1251 1 CB D HIS 143 ? ? CG D HIS 143 ? ? 1.339 1.492 -0.153 0.016 N +1252 1 CG D HIS 143 ? ? CD2 D HIS 143 ? ? 1.848 1.354 0.494 0.009 N +1253 1 CG D HIS 143 ? ? ND1 D HIS 143 ? ? 1.230 1.369 -0.139 0.015 N +1254 1 ND1 D HIS 143 ? ? CE1 D HIS 143 ? ? 1.620 1.343 0.277 0.025 N +1255 1 CA D LYS 144 ? ? CB D LYS 144 ? ? 1.300 1.535 -0.235 0.022 N +1256 1 CB D LYS 144 ? ? CG D LYS 144 ? ? 1.685 1.521 0.164 0.027 N +1257 1 CD D LYS 144 ? ? CE D LYS 144 ? ? 1.101 1.508 -0.407 0.025 N +1258 1 CE D LYS 144 ? ? NZ D LYS 144 ? ? 2.164 1.486 0.678 0.025 N +1259 1 N D TYR 145 ? ? CA D TYR 145 ? ? 1.339 1.459 -0.120 0.020 N +1260 1 CE1 D TYR 145 ? ? CZ D TYR 145 ? ? 1.473 1.381 0.092 0.013 N +1261 1 CZ D TYR 145 ? ? CE2 D TYR 145 ? ? 1.227 1.381 -0.154 0.013 N +1262 1 CE2 D TYR 145 ? ? CD2 D TYR 145 ? ? 1.516 1.389 0.127 0.015 N +1263 1 N D HIS 146 ? ? CA D HIS 146 ? ? 1.626 1.459 0.167 0.020 N +1264 1 CA D HIS 146 ? ? CB D HIS 146 ? ? 1.724 1.535 0.189 0.022 N +1265 1 CG D HIS 146 ? ? CD2 D HIS 146 ? ? 1.234 1.353 -0.119 0.017 N +1266 1 CG D HIS 146 ? ? ND1 D HIS 146 ? ? 1.849 1.383 0.466 0.022 N +1267 1 ND1 D HIS 146 ? ? CE1 D HIS 146 ? ? 0.669 1.323 -0.654 0.015 N +1268 1 CE1 D HIS 146 ? ? NE2 D HIS 146 ? ? 1.596 1.333 0.263 0.019 N +1269 1 NE2 D HIS 146 ? ? CD2 D HIS 146 ? ? 1.578 1.415 0.163 0.021 N +1270 1 C D HIS 146 ? ? OXT D HIS 146 ? ? 1.398 1.229 0.169 0.019 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 CG1 A VAL 1 ? ? CB A VAL 1 ? ? CG2 A VAL 1 ? ? 138.34 110.90 27.44 1.60 N +2 1 CA A VAL 1 ? ? CB A VAL 1 ? ? CG2 A VAL 1 ? ? 84.94 110.90 -25.96 1.50 N +3 1 CA A VAL 1 ? ? C A VAL 1 ? ? N A LEU 2 ? ? 103.91 117.20 -13.29 2.20 Y +4 1 O A VAL 1 ? ? C A VAL 1 ? ? N A LEU 2 ? ? 135.34 122.70 12.64 1.60 Y +5 1 C A VAL 1 ? ? N A LEU 2 ? ? CA A LEU 2 ? ? 101.09 121.70 -20.61 2.50 Y +6 1 N A LEU 2 ? ? CA A LEU 2 ? ? CB A LEU 2 ? ? 92.49 110.40 -17.91 2.00 N +7 1 CB A LEU 2 ? ? CG A LEU 2 ? ? CD1 A LEU 2 ? ? 124.01 111.00 13.01 1.70 N +8 1 CA A LEU 2 ? ? C A LEU 2 ? ? O A LEU 2 ? ? 98.31 120.10 -21.79 2.10 N +9 1 O A LEU 2 ? ? C A LEU 2 ? ? N A SER 3 ? ? 152.89 122.70 30.19 1.60 Y +10 1 N A SER 3 ? ? CA A SER 3 ? ? CB A SER 3 ? ? 100.76 110.50 -9.74 1.50 N +11 1 CA A SER 3 ? ? C A SER 3 ? ? O A SER 3 ? ? 136.04 120.10 15.94 2.10 N +12 1 O A SER 3 ? ? C A SER 3 ? ? N A PRO 4 ? ? 106.46 121.10 -14.64 1.90 Y +13 1 C A SER 3 ? ? N A PRO 4 ? ? CA A PRO 4 ? ? 105.24 119.30 -14.06 1.50 Y +14 1 C A SER 3 ? ? N A PRO 4 ? ? CD A PRO 4 ? ? 109.94 128.40 -18.46 2.10 Y +15 1 CB A PRO 4 ? ? CA A PRO 4 ? ? C A PRO 4 ? ? 80.99 111.70 -30.71 2.10 N +16 1 CA A PRO 4 ? ? CB A PRO 4 ? ? CG A PRO 4 ? ? 89.06 104.80 -15.74 1.90 N +17 1 N A PRO 4 ? ? CD A PRO 4 ? ? CG A PRO 4 ? ? 90.80 103.20 -12.40 1.50 N +18 1 O A PRO 4 ? ? C A PRO 4 ? ? N A ALA 5 ? ? 112.82 122.70 -9.88 1.60 Y +19 1 CB A ALA 5 ? ? CA A ALA 5 ? ? C A ALA 5 ? ? 99.28 110.10 -10.82 1.50 N +20 1 CB A ASP 6 ? ? CG A ASP 6 ? ? OD1 A ASP 6 ? ? 124.77 118.30 6.47 0.90 N +21 1 CB A ASP 6 ? ? CG A ASP 6 ? ? OD2 A ASP 6 ? ? 109.51 118.30 -8.79 0.90 N +22 1 O A ASP 6 ? ? C A ASP 6 ? ? N A LYS 7 ? ? 137.51 122.70 14.81 1.60 Y +23 1 C A ASP 6 ? ? N A LYS 7 ? ? CA A LYS 7 ? ? 101.41 121.70 -20.29 2.50 Y +24 1 N A LYS 7 ? ? CA A LYS 7 ? ? CB A LYS 7 ? ? 97.04 110.60 -13.56 1.80 N +25 1 CD A LYS 7 ? ? CE A LYS 7 ? ? NZ A LYS 7 ? ? 84.29 111.70 -27.41 2.30 N +26 1 N A LYS 7 ? ? CA A LYS 7 ? ? C A LYS 7 ? ? 133.07 111.00 22.07 2.70 N +27 1 CA A LYS 7 ? ? C A LYS 7 ? ? N A THR 8 ? ? 97.12 117.20 -20.08 2.20 Y +28 1 C A LYS 7 ? ? N A THR 8 ? ? CA A THR 8 ? ? 106.03 121.70 -15.67 2.50 Y +29 1 CA A THR 8 ? ? CB A THR 8 ? ? CG2 A THR 8 ? ? 101.71 112.40 -10.69 1.40 N +30 1 CA A THR 8 ? ? C A THR 8 ? ? O A THR 8 ? ? 141.42 120.10 21.32 2.10 N +31 1 O A VAL 10 ? ? C A VAL 10 ? ? N A LYS 11 ? ? 134.13 122.70 11.43 1.60 Y +32 1 C A LYS 11 ? ? N A ALA 12 ? ? CA A ALA 12 ? ? 98.80 121.70 -22.90 2.50 Y +33 1 CB A ALA 12 ? ? CA A ALA 12 ? ? C A ALA 12 ? ? 80.66 110.10 -29.44 1.50 N +34 1 N A ALA 12 ? ? CA A ALA 12 ? ? CB A ALA 12 ? ? 95.63 110.10 -14.47 1.40 N +35 1 O A ALA 12 ? ? C A ALA 12 ? ? N A ALA 13 ? ? 96.83 122.70 -25.87 1.60 Y +36 1 O A ALA 13 ? ? C A ALA 13 ? ? N A TRP 14 ? ? 136.29 122.70 13.59 1.60 Y +37 1 CA A TRP 14 ? ? CB A TRP 14 ? ? CG A TRP 14 ? ? 91.35 113.70 -22.35 1.90 N +38 1 CG A TRP 14 ? ? CD1 A TRP 14 ? ? NE1 A TRP 14 ? ? 96.55 110.10 -13.55 1.00 N +39 1 CD1 A TRP 14 ? ? NE1 A TRP 14 ? ? CE2 A TRP 14 ? ? 128.82 109.00 19.82 0.90 N +40 1 NE1 A TRP 14 ? ? CE2 A TRP 14 ? ? CZ2 A TRP 14 ? ? 141.59 130.40 11.19 1.10 N +41 1 CH2 A TRP 14 ? ? CZ2 A TRP 14 ? ? CE2 A TRP 14 ? ? 130.63 117.40 13.23 1.00 N +42 1 C A TRP 14 ? ? N A GLY 15 ? ? CA A GLY 15 ? ? 103.27 122.30 -19.03 2.10 Y +43 1 N A GLY 15 ? ? CA A GLY 15 ? ? C A GLY 15 ? ? 88.81 113.10 -24.29 2.50 N +44 1 CA A GLY 15 ? ? C A GLY 15 ? ? O A GLY 15 ? ? 99.03 120.60 -21.57 1.80 N +45 1 CA A GLY 15 ? ? C A GLY 15 ? ? N A LYS 16 ? ? 142.77 117.20 25.57 2.20 Y +46 1 O A GLY 15 ? ? C A GLY 15 ? ? N A LYS 16 ? ? 112.77 122.70 -9.93 1.60 Y +47 1 C A GLY 15 ? ? N A LYS 16 ? ? CA A LYS 16 ? ? 136.70 121.70 15.00 2.50 Y +48 1 N A LYS 16 ? ? CA A LYS 16 ? ? CB A LYS 16 ? ? 125.33 110.60 14.73 1.80 N +49 1 CG A LYS 16 ? ? CD A LYS 16 ? ? CE A LYS 16 ? ? 63.33 111.90 -48.57 3.00 N +50 1 CD A LYS 16 ? ? CE A LYS 16 ? ? NZ A LYS 16 ? ? 129.57 111.70 17.87 2.30 N +51 1 N A VAL 17 ? ? CA A VAL 17 ? ? CB A VAL 17 ? ? 126.79 111.50 15.29 2.20 N +52 1 CA A VAL 17 ? ? CB A VAL 17 ? ? CG2 A VAL 17 ? ? 121.53 110.90 10.63 1.50 N +53 1 CA A VAL 17 ? ? C A VAL 17 ? ? N A GLY 18 ? ? 83.62 116.20 -32.58 2.00 Y +54 1 O A VAL 17 ? ? C A VAL 17 ? ? N A GLY 18 ? ? 153.75 123.20 30.55 1.70 Y +55 1 C A VAL 17 ? ? N A GLY 18 ? ? CA A GLY 18 ? ? 106.28 122.30 -16.02 2.10 Y +56 1 CA A GLY 18 ? ? C A GLY 18 ? ? O A GLY 18 ? ? 108.27 120.60 -12.33 1.80 N +57 1 CA A GLY 18 ? ? C A GLY 18 ? ? N A ALA 19 ? ? 103.88 117.20 -13.32 2.20 Y +58 1 O A GLY 18 ? ? C A GLY 18 ? ? N A ALA 19 ? ? 147.81 122.70 25.11 1.60 Y +59 1 CB A ALA 19 ? ? CA A ALA 19 ? ? C A ALA 19 ? ? 96.05 110.10 -14.05 1.50 N +60 1 N A ALA 19 ? ? CA A ALA 19 ? ? CB A ALA 19 ? ? 126.43 110.10 16.33 1.40 N +61 1 N A ALA 19 ? ? CA A ALA 19 ? ? C A ALA 19 ? ? 89.91 111.00 -21.09 2.70 N +62 1 O A ALA 19 ? ? C A ALA 19 ? ? N A HIS 20 ? ? 108.05 122.70 -14.65 1.60 Y +63 1 CB A HIS 20 ? ? CG A HIS 20 ? ? CD2 A HIS 20 ? ? 117.48 129.70 -12.22 1.60 N +64 1 CG A HIS 20 ? ? ND1 A HIS 20 ? ? CE1 A HIS 20 ? ? 90.13 105.70 -15.57 1.30 N +65 1 ND1 A HIS 20 ? ? CE1 A HIS 20 ? ? NE2 A HIS 20 ? ? 133.08 111.50 21.58 1.30 N +66 1 CG A HIS 20 ? ? CD2 A HIS 20 ? ? NE2 A HIS 20 ? ? 94.55 106.70 -12.15 1.20 N +67 1 CB A ALA 21 ? ? CA A ALA 21 ? ? C A ALA 21 ? ? 130.13 110.10 20.03 1.50 N +68 1 N A ALA 21 ? ? CA A ALA 21 ? ? CB A ALA 21 ? ? 121.00 110.10 10.90 1.40 N +69 1 CA A ALA 21 ? ? C A ALA 21 ? ? O A ALA 21 ? ? 95.52 120.10 -24.58 2.10 N +70 1 CA A ALA 21 ? ? C A ALA 21 ? ? N A GLY 22 ? ? 88.39 116.20 -27.81 2.00 Y +71 1 C A ALA 21 ? ? N A GLY 22 ? ? CA A GLY 22 ? ? 93.47 122.30 -28.83 2.10 Y +72 1 N A GLY 22 ? ? CA A GLY 22 ? ? C A GLY 22 ? ? 128.82 113.10 15.72 2.50 N +73 1 CA A GLY 22 ? ? C A GLY 22 ? ? O A GLY 22 ? ? 139.31 120.60 18.71 1.80 N +74 1 O A GLY 22 ? ? C A GLY 22 ? ? N A GLU 23 ? ? 94.63 122.70 -28.07 1.60 Y +75 1 N A GLU 23 ? ? CA A GLU 23 ? ? CB A GLU 23 ? ? 97.75 110.60 -12.85 1.80 N +76 1 CG A GLU 23 ? ? CD A GLU 23 ? ? OE1 A GLU 23 ? ? 84.19 118.30 -34.11 2.00 N +77 1 CG A GLU 23 ? ? CD A GLU 23 ? ? OE2 A GLU 23 ? ? 105.30 118.30 -13.00 2.00 N +78 1 CA A TYR 24 ? ? CB A TYR 24 ? ? CG A TYR 24 ? ? 100.84 113.40 -12.56 1.90 N +79 1 CB A TYR 24 ? ? CG A TYR 24 ? ? CD1 A TYR 24 ? ? 117.27 121.00 -3.73 0.60 N +80 1 CG A TYR 24 ? ? CD1 A TYR 24 ? ? CE1 A TYR 24 ? ? 114.94 121.30 -6.36 0.80 N +81 1 CG A TYR 24 ? ? CD2 A TYR 24 ? ? CE2 A TYR 24 ? ? 128.73 121.30 7.43 0.80 N +82 1 CD1 A TYR 24 ? ? CE1 A TYR 24 ? ? CZ A TYR 24 ? ? 130.55 119.80 10.75 0.90 N +83 1 CZ A TYR 24 ? ? CE2 A TYR 24 ? ? CD2 A TYR 24 ? ? 108.52 119.80 -11.28 0.90 N +84 1 O A GLY 25 ? ? C A GLY 25 ? ? N A ALA 26 ? ? 104.87 122.70 -17.83 1.60 Y +85 1 CB A ALA 26 ? ? CA A ALA 26 ? ? C A ALA 26 ? ? 93.76 110.10 -16.34 1.50 N +86 1 N A ALA 26 ? ? CA A ALA 26 ? ? CB A ALA 26 ? ? 126.67 110.10 16.57 1.40 N +87 1 CA A ALA 26 ? ? C A ALA 26 ? ? O A ALA 26 ? ? 141.83 120.10 21.73 2.10 N +88 1 O A ALA 26 ? ? C A ALA 26 ? ? N A GLU 27 ? ? 113.10 122.70 -9.60 1.60 Y +89 1 OE1 A GLU 27 ? ? CD A GLU 27 ? ? OE2 A GLU 27 ? ? 132.66 123.30 9.36 1.20 N +90 1 CA A ALA 28 ? ? C A ALA 28 ? ? N A LEU 29 ? ? 100.99 117.20 -16.21 2.20 Y +91 1 C A ALA 28 ? ? N A LEU 29 ? ? CA A LEU 29 ? ? 106.27 121.70 -15.43 2.50 Y +92 1 CB A LEU 29 ? ? CG A LEU 29 ? ? CD1 A LEU 29 ? ? 95.54 111.00 -15.46 1.70 N +93 1 OE1 A GLU 30 ? ? CD A GLU 30 ? ? OE2 A GLU 30 ? ? 144.27 123.30 20.97 1.20 N +94 1 CG A GLU 30 ? ? CD A GLU 30 ? ? OE2 A GLU 30 ? ? 105.72 118.30 -12.58 2.00 N +95 1 NE A ARG 31 ? ? CZ A ARG 31 ? ? NH1 A ARG 31 ? ? 128.95 120.30 8.65 0.50 N +96 1 NE A ARG 31 ? ? CZ A ARG 31 ? ? NH2 A ARG 31 ? ? 107.66 120.30 -12.64 0.50 N +97 1 O A ARG 31 ? ? C A ARG 31 ? ? N A MET 32 ? ? 133.59 122.70 10.89 1.60 Y +98 1 CB A PHE 33 ? ? CG A PHE 33 ? ? CD2 A PHE 33 ? ? 110.09 120.80 -10.71 0.70 N +99 1 CB A PHE 33 ? ? CG A PHE 33 ? ? CD1 A PHE 33 ? ? 132.73 120.80 11.93 0.70 N +100 1 CG A PHE 33 ? ? CD1 A PHE 33 ? ? CE1 A PHE 33 ? ? 129.69 120.80 8.89 1.10 N +101 1 CG A PHE 33 ? ? CD2 A PHE 33 ? ? CE2 A PHE 33 ? ? 105.74 120.80 -15.06 1.10 N +102 1 CD1 A PHE 33 ? ? CE1 A PHE 33 ? ? CZ A PHE 33 ? ? 112.16 120.10 -7.94 1.20 N +103 1 CZ A PHE 33 ? ? CE2 A PHE 33 ? ? CD2 A PHE 33 ? ? 131.72 120.10 11.62 1.20 N +104 1 CA A PHE 33 ? ? C A PHE 33 ? ? O A PHE 33 ? ? 133.41 120.10 13.31 2.10 N +105 1 CB A LEU 34 ? ? CG A LEU 34 ? ? CD1 A LEU 34 ? ? 131.84 111.00 20.84 1.70 N +106 1 CB A PHE 36 ? ? CG A PHE 36 ? ? CD2 A PHE 36 ? ? 112.08 120.80 -8.72 0.70 N +107 1 O A PHE 36 ? ? C A PHE 36 ? ? N A PRO 37 ? ? 133.36 121.10 12.26 1.90 Y +108 1 C A PHE 36 ? ? N A PRO 37 ? ? CA A PRO 37 ? ? 107.91 119.30 -11.39 1.50 Y +109 1 CA A THR 38 ? ? CB A THR 38 ? ? CG2 A THR 38 ? ? 99.79 112.40 -12.61 1.40 N +110 1 O A THR 39 ? ? C A THR 39 ? ? N A LYS 40 ? ? 133.86 122.70 11.16 1.60 Y +111 1 O A THR 41 ? ? C A THR 41 ? ? N A TYR 42 ? ? 105.91 122.70 -16.79 1.60 Y +112 1 CA A TYR 42 ? ? CB A TYR 42 ? ? CG A TYR 42 ? ? 99.92 113.40 -13.48 1.90 N +113 1 CB A TYR 42 ? ? CG A TYR 42 ? ? CD2 A TYR 42 ? ? 116.18 121.00 -4.82 0.60 N +114 1 CB A TYR 42 ? ? CG A TYR 42 ? ? CD1 A TYR 42 ? ? 127.46 121.00 6.46 0.60 N +115 1 CG A TYR 42 ? ? CD1 A TYR 42 ? ? CE1 A TYR 42 ? ? 113.73 121.30 -7.57 0.80 N +116 1 CD1 A TYR 42 ? ? CE1 A TYR 42 ? ? CZ A TYR 42 ? ? 130.60 119.80 10.80 0.90 N +117 1 CB A PHE 43 ? ? CG A PHE 43 ? ? CD2 A PHE 43 ? ? 131.75 120.80 10.95 0.70 N +118 1 CB A PHE 43 ? ? CG A PHE 43 ? ? CD1 A PHE 43 ? ? 113.99 120.80 -6.81 0.70 N +119 1 CG A PHE 43 ? ? CD1 A PHE 43 ? ? CE1 A PHE 43 ? ? 113.29 120.80 -7.51 1.10 N +120 1 CG A PHE 43 ? ? CD2 A PHE 43 ? ? CE2 A PHE 43 ? ? 132.26 120.80 11.46 1.10 N +121 1 CD1 A PHE 43 ? ? CE1 A PHE 43 ? ? CZ A PHE 43 ? ? 131.07 120.10 10.97 1.20 N +122 1 CZ A PHE 43 ? ? CE2 A PHE 43 ? ? CD2 A PHE 43 ? ? 107.75 120.10 -12.35 1.20 N +123 1 CA A HIS 45 ? ? CB A HIS 45 ? ? CG A HIS 45 ? ? 132.23 113.60 18.63 1.70 N +124 1 CB A HIS 45 ? ? CG A HIS 45 ? ? ND1 A HIS 45 ? ? 108.15 121.40 -13.25 1.30 N +125 1 CB A PHE 46 ? ? CG A PHE 46 ? ? CD2 A PHE 46 ? ? 136.54 120.80 15.74 0.70 N +126 1 CD1 A PHE 46 ? ? CG A PHE 46 ? ? CD2 A PHE 46 ? ? 101.88 118.30 -16.42 1.30 N +127 1 CG A PHE 46 ? ? CD2 A PHE 46 ? ? CE2 A PHE 46 ? ? 136.70 120.80 15.90 1.10 N +128 1 CD1 A PHE 46 ? ? CE1 A PHE 46 ? ? CZ A PHE 46 ? ? 127.92 120.10 7.82 1.20 N +129 1 CE1 A PHE 46 ? ? CZ A PHE 46 ? ? CE2 A PHE 46 ? ? 100.12 120.00 -19.88 1.80 N +130 1 CB A ASP 47 ? ? CG A ASP 47 ? ? OD1 A ASP 47 ? ? 130.99 118.30 12.69 0.90 N +131 1 CB A ASP 47 ? ? CG A ASP 47 ? ? OD2 A ASP 47 ? ? 96.21 118.30 -22.09 0.90 N +132 1 O A ASP 47 ? ? C A ASP 47 ? ? N A LEU 48 ? ? 141.53 122.70 18.83 1.60 Y +133 1 CB A LEU 48 ? ? CG A LEU 48 ? ? CD1 A LEU 48 ? ? 98.01 111.00 -12.99 1.70 N +134 1 CB A LEU 48 ? ? CG A LEU 48 ? ? CD2 A LEU 48 ? ? 132.62 111.00 21.62 1.70 N +135 1 CB A SER 49 ? ? CA A SER 49 ? ? C A SER 49 ? ? 143.95 110.10 33.85 1.90 N +136 1 CA A SER 49 ? ? C A SER 49 ? ? O A SER 49 ? ? 134.97 120.10 14.87 2.10 N +137 1 C A SER 49 ? ? N A HIS 50 ? ? CA A HIS 50 ? ? 94.82 121.70 -26.88 2.50 Y +138 1 CB A HIS 50 ? ? CA A HIS 50 ? ? C A HIS 50 ? ? 90.66 110.40 -19.74 2.00 N +139 1 N A HIS 50 ? ? CA A HIS 50 ? ? CB A HIS 50 ? ? 85.29 110.60 -25.31 1.80 N +140 1 CB A HIS 50 ? ? CG A HIS 50 ? ? CD2 A HIS 50 ? ? 116.43 129.70 -13.27 1.60 N +141 1 ND1 A HIS 50 ? ? CG A HIS 50 ? ? CD2 A HIS 50 ? ? 96.84 106.00 -9.16 1.40 N +142 1 ND1 A HIS 50 ? ? CE1 A HIS 50 ? ? NE2 A HIS 50 ? ? 101.55 108.50 -6.95 1.10 N +143 1 CE1 A HIS 50 ? ? NE2 A HIS 50 ? ? CD2 A HIS 50 ? ? 113.53 109.00 4.53 0.70 N +144 1 CG A HIS 50 ? ? CD2 A HIS 50 ? ? NE2 A HIS 50 ? ? 92.62 106.70 -14.08 1.20 N +145 1 CA A HIS 50 ? ? C A HIS 50 ? ? N A GLY 51 ? ? 133.49 116.20 17.29 2.00 Y +146 1 O A HIS 50 ? ? C A HIS 50 ? ? N A GLY 51 ? ? 111.26 123.20 -11.94 1.70 Y +147 1 C A HIS 50 ? ? N A GLY 51 ? ? CA A GLY 51 ? ? 150.51 122.30 28.21 2.10 Y +148 1 O A GLY 51 ? ? C A GLY 51 ? ? N A SER 52 ? ? 134.96 122.70 12.26 1.60 Y +149 1 C A GLY 51 ? ? N A SER 52 ? ? CA A SER 52 ? ? 105.55 121.70 -16.15 2.50 Y +150 1 CB A SER 52 ? ? CA A SER 52 ? ? C A SER 52 ? ? 125.30 110.10 15.20 1.90 N +151 1 CA A SER 52 ? ? C A SER 52 ? ? O A SER 52 ? ? 136.93 120.10 16.83 2.10 N +152 1 O A SER 52 ? ? C A SER 52 ? ? N A ALA 53 ? ? 107.83 122.70 -14.87 1.60 Y +153 1 CB A ALA 53 ? ? CA A ALA 53 ? ? C A ALA 53 ? ? 95.09 110.10 -15.01 1.50 N +154 1 O A GLN 54 ? ? C A GLN 54 ? ? N A VAL 55 ? ? 136.03 122.70 13.33 1.60 Y +155 1 CB A LYS 56 ? ? CA A LYS 56 ? ? C A LYS 56 ? ? 122.43 110.40 12.03 2.00 N +156 1 CB A LYS 56 ? ? CG A LYS 56 ? ? CD A LYS 56 ? ? 87.40 111.60 -24.20 2.60 N +157 1 CD A LYS 56 ? ? CE A LYS 56 ? ? NZ A LYS 56 ? ? 94.04 111.70 -17.66 2.30 N +158 1 CA A LYS 56 ? ? C A LYS 56 ? ? O A LYS 56 ? ? 138.73 120.10 18.63 2.10 N +159 1 CA A LYS 56 ? ? C A LYS 56 ? ? N A GLY 57 ? ? 103.67 116.20 -12.53 2.00 Y +160 1 O A LYS 56 ? ? C A LYS 56 ? ? N A GLY 57 ? ? 108.49 123.20 -14.71 1.70 Y +161 1 O A GLY 57 ? ? C A GLY 57 ? ? N A HIS 58 ? ? 140.56 122.70 17.86 1.60 Y +162 1 CA A HIS 58 ? ? CB A HIS 58 ? ? CG A HIS 58 ? ? 101.73 113.60 -11.87 1.70 N +163 1 CG A HIS 58 ? ? ND1 A HIS 58 ? ? CE1 A HIS 58 ? ? 97.75 105.70 -7.95 1.30 N +164 1 CA A HIS 58 ? ? C A HIS 58 ? ? N A GLY 59 ? ? 104.10 116.20 -12.10 2.00 Y +165 1 O A HIS 58 ? ? C A HIS 58 ? ? N A GLY 59 ? ? 146.41 123.20 23.21 1.70 Y +166 1 C A HIS 58 ? ? N A GLY 59 ? ? CA A GLY 59 ? ? 104.96 122.30 -17.34 2.10 Y +167 1 O A GLY 59 ? ? C A GLY 59 ? ? N A LYS 60 ? ? 109.99 122.70 -12.71 1.60 Y +168 1 CD A LYS 60 ? ? CE A LYS 60 ? ? NZ A LYS 60 ? ? 73.74 111.70 -37.96 2.30 N +169 1 CA A LYS 60 ? ? C A LYS 60 ? ? O A LYS 60 ? ? 137.78 120.10 17.68 2.10 N +170 1 CA A LYS 60 ? ? C A LYS 60 ? ? N A LYS 61 ? ? 102.05 117.20 -15.15 2.20 Y +171 1 CB A LYS 61 ? ? CA A LYS 61 ? ? C A LYS 61 ? ? 95.46 110.40 -14.94 2.00 N +172 1 CD A LYS 61 ? ? CE A LYS 61 ? ? NZ A LYS 61 ? ? 128.54 111.70 16.84 2.30 N +173 1 CA A LYS 61 ? ? C A LYS 61 ? ? N A VAL 62 ? ? 101.97 117.20 -15.23 2.20 Y +174 1 O A LYS 61 ? ? C A LYS 61 ? ? N A VAL 62 ? ? 143.19 122.70 20.49 1.60 Y +175 1 C A LYS 61 ? ? N A VAL 62 ? ? CA A VAL 62 ? ? 104.91 121.70 -16.79 2.50 Y +176 1 CG1 A VAL 62 ? ? CB A VAL 62 ? ? CG2 A VAL 62 ? ? 96.57 110.90 -14.33 1.60 N +177 1 CA A VAL 62 ? ? C A VAL 62 ? ? N A ALA 63 ? ? 97.82 117.20 -19.38 2.20 Y +178 1 O A VAL 62 ? ? C A VAL 62 ? ? N A ALA 63 ? ? 145.12 122.70 22.42 1.60 Y +179 1 C A VAL 62 ? ? N A ALA 63 ? ? CA A ALA 63 ? ? 100.66 121.70 -21.04 2.50 Y +180 1 N A ALA 63 ? ? CA A ALA 63 ? ? CB A ALA 63 ? ? 99.07 110.10 -11.03 1.40 N +181 1 O A ALA 63 ? ? C A ALA 63 ? ? N A ASP 64 ? ? 109.24 122.70 -13.46 1.60 Y +182 1 CB A ASP 64 ? ? CA A ASP 64 ? ? C A ASP 64 ? ? 97.78 110.40 -12.62 2.00 N +183 1 OD1 A ASP 64 ? ? CG A ASP 64 ? ? OD2 A ASP 64 ? ? 145.02 123.30 21.72 1.90 N +184 1 CB A ASP 64 ? ? CG A ASP 64 ? ? OD1 A ASP 64 ? ? 97.44 118.30 -20.86 0.90 N +185 1 CB A ASP 64 ? ? CG A ASP 64 ? ? OD2 A ASP 64 ? ? 99.49 118.30 -18.81 0.90 N +186 1 N A ASP 64 ? ? CA A ASP 64 ? ? C A ASP 64 ? ? 127.85 111.00 16.85 2.70 N +187 1 O A ALA 65 ? ? C A ALA 65 ? ? N A LEU 66 ? ? 142.44 122.70 19.74 1.60 Y +188 1 C A ALA 65 ? ? N A LEU 66 ? ? CA A LEU 66 ? ? 103.39 121.70 -18.31 2.50 Y +189 1 O A ASN 68 ? ? C A ASN 68 ? ? N A ALA 69 ? ? 111.89 122.70 -10.81 1.60 Y +190 1 N A ALA 69 ? ? CA A ALA 69 ? ? CB A ALA 69 ? ? 99.34 110.10 -10.76 1.40 N +191 1 CG1 A VAL 70 ? ? CB A VAL 70 ? ? CG2 A VAL 70 ? ? 97.88 110.90 -13.02 1.60 N +192 1 CA A VAL 70 ? ? CB A VAL 70 ? ? CG1 A VAL 70 ? ? 122.96 110.90 12.06 1.50 N +193 1 CB A ALA 71 ? ? CA A ALA 71 ? ? C A ALA 71 ? ? 119.91 110.10 9.81 1.50 N +194 1 CA A ALA 71 ? ? C A ALA 71 ? ? N A HIS 72 ? ? 141.47 117.20 24.27 2.20 Y +195 1 O A ALA 71 ? ? C A ALA 71 ? ? N A HIS 72 ? ? 109.30 122.70 -13.40 1.60 Y +196 1 CA A HIS 72 ? ? CB A HIS 72 ? ? CG A HIS 72 ? ? 85.01 113.60 -28.59 1.70 N +197 1 CB A HIS 72 ? ? CG A HIS 72 ? ? CD2 A HIS 72 ? ? 143.44 131.40 12.04 1.20 N +198 1 ND1 A HIS 72 ? ? CG A HIS 72 ? ? CD2 A HIS 72 ? ? 72.06 106.00 -33.94 1.40 N +199 1 ND1 A HIS 72 ? ? CE1 A HIS 72 ? ? NE2 A HIS 72 ? ? 95.78 108.50 -12.72 1.10 N +200 1 CG A HIS 72 ? ? CD2 A HIS 72 ? ? NE2 A HIS 72 ? ? 128.83 109.20 19.63 1.90 N +201 1 O A HIS 72 ? ? C A HIS 72 ? ? N A VAL 73 ? ? 109.61 122.70 -13.09 1.60 Y +202 1 CA A VAL 73 ? ? CB A VAL 73 ? ? CG1 A VAL 73 ? ? 121.16 110.90 10.26 1.50 N +203 1 CA A VAL 73 ? ? C A VAL 73 ? ? O A VAL 73 ? ? 143.39 120.10 23.29 2.10 N +204 1 O A VAL 73 ? ? C A VAL 73 ? ? N A ASP 74 ? ? 104.09 122.70 -18.61 1.60 Y +205 1 OD1 A ASP 74 ? ? CG A ASP 74 ? ? OD2 A ASP 74 ? ? 111.26 123.30 -12.04 1.90 N +206 1 CB A ASP 74 ? ? CG A ASP 74 ? ? OD1 A ASP 74 ? ? 127.38 118.30 9.08 0.90 N +207 1 CA A ASP 74 ? ? C A ASP 74 ? ? O A ASP 74 ? ? 96.46 120.10 -23.64 2.10 N +208 1 CA A ASP 74 ? ? C A ASP 74 ? ? N A ASP 75 ? ? 145.16 117.20 27.96 2.20 Y +209 1 CB A ASP 75 ? ? CA A ASP 75 ? ? C A ASP 75 ? ? 85.88 110.40 -24.52 2.00 N +210 1 N A ASP 75 ? ? CA A ASP 75 ? ? CB A ASP 75 ? ? 95.66 110.60 -14.94 1.80 N +211 1 CA A ASP 75 ? ? CB A ASP 75 ? ? CG A ASP 75 ? ? 72.53 113.40 -40.87 2.20 N +212 1 OD1 A ASP 75 ? ? CG A ASP 75 ? ? OD2 A ASP 75 ? ? 73.99 123.30 -49.31 1.90 N +213 1 CB A ASP 75 ? ? CG A ASP 75 ? ? OD1 A ASP 75 ? ? 152.77 118.30 34.47 0.90 N +214 1 CB A ASP 75 ? ? CG A ASP 75 ? ? OD2 A ASP 75 ? ? 78.85 118.30 -39.45 0.90 N +215 1 CA A ASP 75 ? ? C A ASP 75 ? ? N A MET 76 ? ? 100.32 117.20 -16.88 2.20 Y +216 1 C A ASP 75 ? ? N A MET 76 ? ? CA A MET 76 ? ? 106.26 121.70 -15.44 2.50 Y +217 1 N A MET 76 ? ? CA A MET 76 ? ? CB A MET 76 ? ? 99.04 110.60 -11.56 1.80 N +218 1 CA A MET 76 ? ? CB A MET 76 ? ? CG A MET 76 ? ? 97.04 113.30 -16.26 1.70 N +219 1 CG A MET 76 ? ? SD A MET 76 ? ? CE A MET 76 ? ? 116.04 100.20 15.84 1.60 N +220 1 N A PRO 77 ? ? CA A PRO 77 ? ? CB A PRO 77 ? ? 111.15 103.30 7.85 1.20 N +221 1 CA A PRO 77 ? ? CB A PRO 77 ? ? CG A PRO 77 ? ? 88.11 104.80 -16.69 1.90 N +222 1 O A PRO 77 ? ? C A PRO 77 ? ? N A ASN 78 ? ? 110.84 122.70 -11.86 1.60 Y +223 1 N A ASN 78 ? ? CA A ASN 78 ? ? CB A ASN 78 ? ? 127.92 110.60 17.32 1.80 N +224 1 OD1 A ASN 78 ? ? CG A ASN 78 ? ? ND2 A ASN 78 ? ? 84.96 121.90 -36.94 2.30 N +225 1 CB A ASN 78 ? ? CG A ASN 78 ? ? ND2 A ASN 78 ? ? 138.16 116.70 21.46 2.40 N +226 1 O A ASN 78 ? ? C A ASN 78 ? ? N A ALA 79 ? ? 112.16 122.70 -10.54 1.60 Y +227 1 O A ALA 79 ? ? C A ALA 79 ? ? N A LEU 80 ? ? 132.47 122.70 9.77 1.60 Y +228 1 N A SER 81 ? ? CA A SER 81 ? ? CB A SER 81 ? ? 87.80 110.50 -22.70 1.50 N +229 1 CA A SER 81 ? ? CB A SER 81 ? ? OG A SER 81 ? ? 83.40 111.20 -27.80 2.70 N +230 1 CA A SER 81 ? ? C A SER 81 ? ? N A ALA 82 ? ? 132.46 117.20 15.26 2.20 Y +231 1 O A SER 81 ? ? C A SER 81 ? ? N A ALA 82 ? ? 110.03 122.70 -12.67 1.60 Y +232 1 C A SER 81 ? ? N A ALA 82 ? ? CA A ALA 82 ? ? 138.09 121.70 16.39 2.50 Y +233 1 N A ALA 82 ? ? CA A ALA 82 ? ? CB A ALA 82 ? ? 123.81 110.10 13.71 1.40 N +234 1 CB A LEU 83 ? ? CA A LEU 83 ? ? C A LEU 83 ? ? 97.76 110.20 -12.44 1.90 N +235 1 CD1 A LEU 83 ? ? CG A LEU 83 ? ? CD2 A LEU 83 ? ? 89.11 110.50 -21.39 3.00 N +236 1 CB A LEU 83 ? ? CG A LEU 83 ? ? CD2 A LEU 83 ? ? 121.29 111.00 10.29 1.70 N +237 1 O A LEU 83 ? ? C A LEU 83 ? ? N A SER 84 ? ? 112.73 122.70 -9.97 1.60 Y +238 1 CB A SER 84 ? ? CA A SER 84 ? ? C A SER 84 ? ? 97.62 110.10 -12.48 1.90 N +239 1 N A SER 84 ? ? CA A SER 84 ? ? CB A SER 84 ? ? 120.23 110.50 9.73 1.50 N +240 1 O A SER 84 ? ? C A SER 84 ? ? N A ASP 85 ? ? 134.69 122.70 11.99 1.60 Y +241 1 CA A ASP 85 ? ? CB A ASP 85 ? ? CG A ASP 85 ? ? 100.18 113.40 -13.22 2.20 N +242 1 OD1 A ASP 85 ? ? CG A ASP 85 ? ? OD2 A ASP 85 ? ? 109.10 123.30 -14.20 1.90 N +243 1 CB A ASP 85 ? ? CG A ASP 85 ? ? OD1 A ASP 85 ? ? 134.46 118.30 16.16 0.90 N +244 1 CB A ASP 85 ? ? CG A ASP 85 ? ? OD2 A ASP 85 ? ? 105.45 118.30 -12.85 0.90 N +245 1 CD1 A LEU 86 ? ? CG A LEU 86 ? ? CD2 A LEU 86 ? ? 91.73 110.50 -18.77 3.00 N +246 1 CB A LEU 86 ? ? CG A LEU 86 ? ? CD2 A LEU 86 ? ? 126.41 111.00 15.41 1.70 N +247 1 C A LEU 86 ? ? N A HIS 87 ? ? CA A HIS 87 ? ? 105.80 121.70 -15.90 2.50 Y +248 1 CA A HIS 87 ? ? CB A HIS 87 ? ? CG A HIS 87 ? ? 101.08 113.60 -12.52 1.70 N +249 1 CB A HIS 87 ? ? CG A HIS 87 ? ? CD2 A HIS 87 ? ? 142.12 131.40 10.72 1.20 N +250 1 O A HIS 87 ? ? C A HIS 87 ? ? N A ALA 88 ? ? 138.85 122.70 16.15 1.60 Y +251 1 O A ALA 88 ? ? C A ALA 88 ? ? N A HIS 89 ? ? 138.43 122.70 15.73 1.60 Y +252 1 CG A HIS 89 ? ? ND1 A HIS 89 ? ? CE1 A HIS 89 ? ? 124.40 109.00 15.40 1.00 N +253 1 ND1 A HIS 89 ? ? CE1 A HIS 89 ? ? NE2 A HIS 89 ? ? 82.84 108.50 -25.66 1.10 N +254 1 CE1 A HIS 89 ? ? NE2 A HIS 89 ? ? CD2 A HIS 89 ? ? 137.38 109.00 28.38 0.70 N +255 1 CG A HIS 89 ? ? CD2 A HIS 89 ? ? NE2 A HIS 89 ? ? 95.32 106.70 -11.38 1.20 N +256 1 O A HIS 89 ? ? C A HIS 89 ? ? N A LYS 90 ? ? 107.46 122.70 -15.24 1.60 Y +257 1 C A HIS 89 ? ? N A LYS 90 ? ? CA A LYS 90 ? ? 136.81 121.70 15.11 2.50 Y +258 1 CD A LYS 90 ? ? CE A LYS 90 ? ? NZ A LYS 90 ? ? 68.30 111.70 -43.40 2.30 N +259 1 N A LYS 90 ? ? CA A LYS 90 ? ? C A LYS 90 ? ? 133.43 111.00 22.43 2.70 N +260 1 CG A ARG 92 ? ? CD A ARG 92 ? ? NE A ARG 92 ? ? 46.37 111.80 -65.43 2.10 N +261 1 CD A ARG 92 ? ? NE A ARG 92 ? ? CZ A ARG 92 ? ? 50.94 123.60 -72.66 1.40 N +262 1 NH1 A ARG 92 ? ? CZ A ARG 92 ? ? NH2 A ARG 92 ? ? 151.84 119.40 32.44 1.10 N +263 1 NE A ARG 92 ? ? CZ A ARG 92 ? ? NH1 A ARG 92 ? ? 99.86 120.30 -20.44 0.50 N +264 1 NE A ARG 92 ? ? CZ A ARG 92 ? ? NH2 A ARG 92 ? ? 91.72 120.30 -28.58 0.50 N +265 1 O A ARG 92 ? ? C A ARG 92 ? ? N A VAL 93 ? ? 110.41 122.70 -12.29 1.60 Y +266 1 O A VAL 93 ? ? C A VAL 93 ? ? N A ASP 94 ? ? 110.33 122.70 -12.37 1.60 Y +267 1 CA A VAL 96 ? ? CB A VAL 96 ? ? CG1 A VAL 96 ? ? 120.87 110.90 9.97 1.50 N +268 1 CA A VAL 96 ? ? CB A VAL 96 ? ? CG2 A VAL 96 ? ? 96.72 110.90 -14.18 1.50 N +269 1 CA A VAL 96 ? ? C A VAL 96 ? ? O A VAL 96 ? ? 132.92 120.10 12.82 2.10 N +270 1 CB A PHE 98 ? ? CG A PHE 98 ? ? CD2 A PHE 98 ? ? 126.98 120.80 6.18 0.70 N +271 1 CB A PHE 98 ? ? CG A PHE 98 ? ? CD1 A PHE 98 ? ? 110.02 120.80 -10.78 0.70 N +272 1 CZ A PHE 98 ? ? CE2 A PHE 98 ? ? CD2 A PHE 98 ? ? 110.83 120.10 -9.27 1.20 N +273 1 CA A LYS 99 ? ? CB A LYS 99 ? ? CG A LYS 99 ? ? 126.64 113.40 13.24 2.20 N +274 1 CB A LYS 99 ? ? CG A LYS 99 ? ? CD A LYS 99 ? ? 128.01 111.60 16.41 2.60 N +275 1 CD A LYS 99 ? ? CE A LYS 99 ? ? NZ A LYS 99 ? ? 97.35 111.70 -14.35 2.30 N +276 1 O A LEU 101 ? ? C A LEU 101 ? ? N A SER 102 ? ? 110.56 122.70 -12.14 1.60 Y +277 1 ND1 A HIS 103 ? ? CE1 A HIS 103 ? ? NE2 A HIS 103 ? ? 121.08 111.50 9.58 1.30 N +278 1 CA A HIS 103 ? ? C A HIS 103 ? ? O A HIS 103 ? ? 135.13 120.10 15.03 2.10 N +279 1 N A LEU 105 ? ? CA A LEU 105 ? ? CB A LEU 105 ? ? 96.61 110.40 -13.79 2.00 N +280 1 CB A LEU 105 ? ? CG A LEU 105 ? ? CD2 A LEU 105 ? ? 127.73 111.00 16.73 1.70 N +281 1 O A LEU 105 ? ? C A LEU 105 ? ? N A LEU 106 ? ? 134.49 122.70 11.79 1.60 Y +282 1 CA A LEU 106 ? ? CB A LEU 106 ? ? CG A LEU 106 ? ? 138.70 115.30 23.40 2.30 N +283 1 CB A LEU 106 ? ? CG A LEU 106 ? ? CD1 A LEU 106 ? ? 125.77 111.00 14.77 1.70 N +284 1 O A LEU 106 ? ? C A LEU 106 ? ? N A VAL 107 ? ? 110.17 122.70 -12.53 1.60 Y +285 1 CA A THR 108 ? ? CB A THR 108 ? ? CG2 A THR 108 ? ? 101.71 112.40 -10.69 1.40 N +286 1 CD1 A LEU 109 ? ? CG A LEU 109 ? ? CD2 A LEU 109 ? ? 128.56 110.50 18.06 3.00 N +287 1 CA A ALA 110 ? ? C A ALA 110 ? ? O A ALA 110 ? ? 136.69 120.10 16.59 2.10 N +288 1 O A ALA 110 ? ? C A ALA 110 ? ? N A ALA 111 ? ? 101.65 122.70 -21.05 1.60 Y +289 1 C A ALA 110 ? ? N A ALA 111 ? ? CA A ALA 111 ? ? 141.29 121.70 19.59 2.50 Y +290 1 N A ALA 111 ? ? CA A ALA 111 ? ? CB A ALA 111 ? ? 127.41 110.10 17.31 1.40 N +291 1 CB A HIS 112 ? ? CG A HIS 112 ? ? ND1 A HIS 112 ? ? 107.53 121.40 -13.87 1.30 N +292 1 CG A HIS 112 ? ? ND1 A HIS 112 ? ? CE1 A HIS 112 ? ? 90.50 105.70 -15.20 1.30 N +293 1 ND1 A HIS 112 ? ? CE1 A HIS 112 ? ? NE2 A HIS 112 ? ? 120.27 111.50 8.77 1.30 N +294 1 CA A HIS 112 ? ? C A HIS 112 ? ? O A HIS 112 ? ? 101.39 120.10 -18.71 2.10 N +295 1 CB A LEU 113 ? ? CG A LEU 113 ? ? CD1 A LEU 113 ? ? 122.54 111.00 11.54 1.70 N +296 1 N A PRO 114 ? ? CA A PRO 114 ? ? CB A PRO 114 ? ? 93.55 103.30 -9.75 1.20 N +297 1 CA A PRO 114 ? ? CB A PRO 114 ? ? CG A PRO 114 ? ? 120.21 104.80 15.41 1.90 N +298 1 OE1 A GLU 116 ? ? CD A GLU 116 ? ? OE2 A GLU 116 ? ? 106.08 123.30 -17.22 1.20 N +299 1 CG A GLU 116 ? ? CD A GLU 116 ? ? OE1 A GLU 116 ? ? 139.76 118.30 21.46 2.00 N +300 1 CB A PHE 117 ? ? CG A PHE 117 ? ? CD2 A PHE 117 ? ? 115.04 120.80 -5.76 0.70 N +301 1 CD1 A PHE 117 ? ? CG A PHE 117 ? ? CD2 A PHE 117 ? ? 129.01 118.30 10.71 1.30 N +302 1 CB A PHE 117 ? ? CG A PHE 117 ? ? CD1 A PHE 117 ? ? 115.33 120.80 -5.47 0.70 N +303 1 CG A PHE 117 ? ? CD1 A PHE 117 ? ? CE1 A PHE 117 ? ? 111.87 120.80 -8.93 1.10 N +304 1 CZ A PHE 117 ? ? CE2 A PHE 117 ? ? CD2 A PHE 117 ? ? 112.72 120.10 -7.38 1.20 N +305 1 CA A THR 118 ? ? CB A THR 118 ? ? OG1 A THR 118 ? ? 127.94 109.00 18.94 2.10 N +306 1 N A ALA 120 ? ? CA A ALA 120 ? ? CB A ALA 120 ? ? 125.66 110.10 15.56 1.40 N +307 1 CB A HIS 122 ? ? CA A HIS 122 ? ? C A HIS 122 ? ? 131.92 110.40 21.52 2.00 N +308 1 O A LEU 125 ? ? C A LEU 125 ? ? N A ASP 126 ? ? 112.55 122.70 -10.15 1.60 Y +309 1 CB A ASP 126 ? ? CG A ASP 126 ? ? OD1 A ASP 126 ? ? 110.81 118.30 -7.49 0.90 N +310 1 CA A ASP 126 ? ? C A ASP 126 ? ? O A ASP 126 ? ? 133.86 120.10 13.76 2.10 N +311 1 O A ASP 126 ? ? C A ASP 126 ? ? N A LYS 127 ? ? 106.76 122.70 -15.94 1.60 Y +312 1 CB A LYS 127 ? ? CA A LYS 127 ? ? C A LYS 127 ? ? 129.22 110.40 18.82 2.00 N +313 1 CG A LYS 127 ? ? CD A LYS 127 ? ? CE A LYS 127 ? ? 89.97 111.90 -21.93 3.00 N +314 1 CG A PHE 128 ? ? CD1 A PHE 128 ? ? CE1 A PHE 128 ? ? 113.97 120.80 -6.83 1.10 N +315 1 CG A PHE 128 ? ? CD2 A PHE 128 ? ? CE2 A PHE 128 ? ? 132.89 120.80 12.09 1.10 N +316 1 CE1 A PHE 128 ? ? CZ A PHE 128 ? ? CE2 A PHE 128 ? ? 135.45 120.00 15.45 1.80 N +317 1 CZ A PHE 128 ? ? CE2 A PHE 128 ? ? CD2 A PHE 128 ? ? 99.23 120.10 -20.87 1.20 N +318 1 CB A LEU 129 ? ? CG A LEU 129 ? ? CD2 A LEU 129 ? ? 99.47 111.00 -11.53 1.70 N +319 1 O A SER 131 ? ? C A SER 131 ? ? N A VAL 132 ? ? 139.35 122.70 16.65 1.60 Y +320 1 CG1 A VAL 132 ? ? CB A VAL 132 ? ? CG2 A VAL 132 ? ? 98.53 110.90 -12.37 1.60 N +321 1 CA A VAL 132 ? ? CB A VAL 132 ? ? CG1 A VAL 132 ? ? 120.26 110.90 9.36 1.50 N +322 1 N A THR 134 ? ? CA A THR 134 ? ? CB A THR 134 ? ? 96.73 110.30 -13.57 1.90 N +323 1 O A THR 134 ? ? C A THR 134 ? ? N A VAL 135 ? ? 108.33 122.70 -14.37 1.60 Y +324 1 CD1 A LEU 136 ? ? CG A LEU 136 ? ? CD2 A LEU 136 ? ? 132.30 110.50 21.80 3.00 N +325 1 CA A THR 137 ? ? CB A THR 137 ? ? OG1 A THR 137 ? ? 77.88 109.00 -31.12 2.10 N +326 1 CB A SER 138 ? ? CA A SER 138 ? ? C A SER 138 ? ? 97.01 110.10 -13.09 1.90 N +327 1 CA A SER 138 ? ? CB A SER 138 ? ? OG A SER 138 ? ? 52.65 111.20 -58.55 2.70 N +328 1 O A SER 138 ? ? C A SER 138 ? ? N A LYS 139 ? ? 132.66 122.70 9.96 1.60 Y +329 1 CB A TYR 140 ? ? CG A TYR 140 ? ? CD2 A TYR 140 ? ? 128.94 121.00 7.94 0.60 N +330 1 CD1 A TYR 140 ? ? CG A TYR 140 ? ? CD2 A TYR 140 ? ? 110.68 117.90 -7.22 1.10 N +331 1 CD1 A TYR 140 ? ? CE1 A TYR 140 ? ? CZ A TYR 140 ? ? 130.19 119.80 10.39 0.90 N +332 1 CB A ARG 141 ? ? CA A ARG 141 ? ? C A ARG 141 ? ? 131.01 110.40 20.61 2.00 N +333 1 CG A ARG 141 ? ? CD A ARG 141 ? ? NE A ARG 141 ? ? 87.28 111.80 -24.52 2.10 N +334 1 CD A ARG 141 ? ? NE A ARG 141 ? ? CZ A ARG 141 ? ? 106.67 123.60 -16.93 1.40 N +335 1 NE A ARG 141 ? ? CZ A ARG 141 ? ? NH1 A ARG 141 ? ? 132.93 120.30 12.63 0.50 N +336 1 NE A ARG 141 ? ? CZ A ARG 141 ? ? NH2 A ARG 141 ? ? 108.58 120.30 -11.72 0.50 N +337 1 CG1 B VAL 1 ? ? CB B VAL 1 ? ? CG2 B VAL 1 ? ? 145.45 110.90 34.55 1.60 N +338 1 CA B VAL 1 ? ? CB B VAL 1 ? ? CG1 B VAL 1 ? ? 95.45 110.90 -15.45 1.50 N +339 1 CA B VAL 1 ? ? C B VAL 1 ? ? O B VAL 1 ? ? 95.31 120.10 -24.79 2.10 N +340 1 CA B VAL 1 ? ? C B VAL 1 ? ? N B HIS 2 ? ? 89.73 117.20 -27.47 2.20 Y +341 1 C B VAL 1 ? ? N B HIS 2 ? ? CA B HIS 2 ? ? 81.69 121.70 -40.01 2.50 Y +342 1 CB B HIS 2 ? ? CA B HIS 2 ? ? C B HIS 2 ? ? 76.70 110.40 -33.70 2.00 N +343 1 N B HIS 2 ? ? CA B HIS 2 ? ? CB B HIS 2 ? ? 95.80 110.60 -14.80 1.80 N +344 1 CA B HIS 2 ? ? CB B HIS 2 ? ? CG B HIS 2 ? ? 133.33 113.60 19.73 1.70 N +345 1 CB B HIS 2 ? ? CG B HIS 2 ? ? CD2 B HIS 2 ? ? 115.41 129.70 -14.29 1.60 N +346 1 ND1 B HIS 2 ? ? CG B HIS 2 ? ? CD2 B HIS 2 ? ? 118.26 108.80 9.46 1.40 N +347 1 CG B HIS 2 ? ? ND1 B HIS 2 ? ? CE1 B HIS 2 ? ? 85.88 105.70 -19.82 1.30 N +348 1 ND1 B HIS 2 ? ? CE1 B HIS 2 ? ? NE2 B HIS 2 ? ? 132.43 111.50 20.93 1.30 N +349 1 CA B HIS 2 ? ? C B HIS 2 ? ? O B HIS 2 ? ? 133.63 120.10 13.53 2.10 N +350 1 CA B HIS 2 ? ? C B HIS 2 ? ? N B LEU 3 ? ? 97.52 117.20 -19.68 2.20 Y +351 1 N B LEU 3 ? ? CA B LEU 3 ? ? CB B LEU 3 ? ? 91.79 110.40 -18.61 2.00 N +352 1 CB B LEU 3 ? ? CG B LEU 3 ? ? CD2 B LEU 3 ? ? 100.06 111.00 -10.94 1.70 N +353 1 CA B LEU 3 ? ? C B LEU 3 ? ? N B THR 4 ? ? 98.24 117.20 -18.96 2.20 Y +354 1 O B LEU 3 ? ? C B LEU 3 ? ? N B THR 4 ? ? 134.59 122.70 11.89 1.60 Y +355 1 C B LEU 3 ? ? N B THR 4 ? ? CA B THR 4 ? ? 95.13 121.70 -26.57 2.50 Y +356 1 N B THR 4 ? ? CA B THR 4 ? ? CB B THR 4 ? ? 87.22 110.30 -23.08 1.90 N +357 1 CA B THR 4 ? ? CB B THR 4 ? ? CG2 B THR 4 ? ? 135.83 112.40 23.43 1.40 N +358 1 C B THR 4 ? ? N B PRO 5 ? ? CA B PRO 5 ? ? 135.74 119.30 16.44 1.50 Y +359 1 C B THR 4 ? ? N B PRO 5 ? ? CD B PRO 5 ? ? 114.63 128.40 -13.77 2.10 Y +360 1 CA B PRO 5 ? ? N B PRO 5 ? ? CD B PRO 5 ? ? 93.13 111.70 -18.57 1.40 N +361 1 N B PRO 5 ? ? CA B PRO 5 ? ? CB B PRO 5 ? ? 139.23 103.30 35.93 1.20 N +362 1 CA B PRO 5 ? ? CB B PRO 5 ? ? CG B PRO 5 ? ? 83.03 104.80 -21.77 1.90 N +363 1 N B PRO 5 ? ? CD B PRO 5 ? ? CG B PRO 5 ? ? 93.71 103.20 -9.49 1.50 N +364 1 CA B PRO 5 ? ? C B PRO 5 ? ? N B GLU 6 ? ? 98.21 117.20 -18.99 2.20 Y +365 1 O B PRO 5 ? ? C B PRO 5 ? ? N B GLU 6 ? ? 136.97 122.70 14.27 1.60 Y +366 1 CB B GLU 6 ? ? CA B GLU 6 ? ? C B GLU 6 ? ? 97.81 110.40 -12.59 2.00 N +367 1 CA B GLU 6 ? ? CB B GLU 6 ? ? CG B GLU 6 ? ? 137.40 113.40 24.00 2.20 N +368 1 OE1 B GLU 6 ? ? CD B GLU 6 ? ? OE2 B GLU 6 ? ? 102.21 123.30 -21.09 1.20 N +369 1 CG B GLU 6 ? ? CD B GLU 6 ? ? OE1 B GLU 6 ? ? 100.90 118.30 -17.40 2.00 N +370 1 CG B GLU 6 ? ? CD B GLU 6 ? ? OE2 B GLU 6 ? ? 132.48 118.30 14.18 2.00 N +371 1 CB B GLU 7 ? ? CA B GLU 7 ? ? C B GLU 7 ? ? 128.08 110.40 17.68 2.00 N +372 1 N B GLU 7 ? ? CA B GLU 7 ? ? C B GLU 7 ? ? 93.45 111.00 -17.55 2.70 N +373 1 CB B LYS 8 ? ? CG B LYS 8 ? ? CD B LYS 8 ? ? 136.95 111.60 25.35 2.60 N +374 1 CG B LYS 8 ? ? CD B LYS 8 ? ? CE B LYS 8 ? ? 130.40 111.90 18.50 3.00 N +375 1 O B LYS 8 ? ? C B LYS 8 ? ? N B SER 9 ? ? 102.07 122.70 -20.63 1.60 Y +376 1 N B SER 9 ? ? CA B SER 9 ? ? CB B SER 9 ? ? 123.04 110.50 12.54 1.50 N +377 1 CA B SER 9 ? ? CB B SER 9 ? ? OG B SER 9 ? ? 80.51 111.20 -30.69 2.70 N +378 1 CA B SER 9 ? ? C B SER 9 ? ? N B ALA 10 ? ? 101.56 117.20 -15.64 2.20 Y +379 1 CB B ALA 10 ? ? CA B ALA 10 ? ? C B ALA 10 ? ? 96.29 110.10 -13.81 1.50 N +380 1 OG1 B THR 12 ? ? CB B THR 12 ? ? CG2 B THR 12 ? ? 163.82 110.00 53.82 2.30 N +381 1 CA B THR 12 ? ? CB B THR 12 ? ? OG1 B THR 12 ? ? 94.17 109.00 -14.83 2.10 N +382 1 CA B THR 12 ? ? CB B THR 12 ? ? CG2 B THR 12 ? ? 99.97 112.40 -12.43 1.40 N +383 1 CA B THR 12 ? ? C B THR 12 ? ? O B THR 12 ? ? 132.83 120.10 12.73 2.10 N +384 1 O B THR 12 ? ? C B THR 12 ? ? N B ALA 13 ? ? 110.09 122.70 -12.61 1.60 Y +385 1 N B ALA 13 ? ? CA B ALA 13 ? ? C B ALA 13 ? ? 128.10 111.00 17.10 2.70 N +386 1 O B ALA 13 ? ? C B ALA 13 ? ? N B LEU 14 ? ? 110.62 122.70 -12.08 1.60 Y +387 1 N B LEU 14 ? ? CA B LEU 14 ? ? CB B LEU 14 ? ? 98.09 110.40 -12.31 2.00 N +388 1 CD1 B LEU 14 ? ? CG B LEU 14 ? ? CD2 B LEU 14 ? ? 129.48 110.50 18.98 3.00 N +389 1 CG B TRP 15 ? ? CD1 B TRP 15 ? ? NE1 B TRP 15 ? ? 117.04 110.10 6.94 1.00 N +390 1 NE1 B TRP 15 ? ? CE2 B TRP 15 ? ? CD2 B TRP 15 ? ? 100.45 107.30 -6.85 1.00 N +391 1 O B TRP 15 ? ? C B TRP 15 ? ? N B GLY 16 ? ? 138.52 123.20 15.32 1.70 Y +392 1 CD B LYS 17 ? ? CE B LYS 17 ? ? NZ B LYS 17 ? ? 86.13 111.70 -25.57 2.30 N +393 1 CA B LYS 17 ? ? C B LYS 17 ? ? N B VAL 18 ? ? 133.42 117.20 16.22 2.20 Y +394 1 O B LYS 17 ? ? C B LYS 17 ? ? N B VAL 18 ? ? 105.12 122.70 -17.58 1.60 Y +395 1 C B LYS 17 ? ? N B VAL 18 ? ? CA B VAL 18 ? ? 138.00 121.70 16.30 2.50 Y +396 1 CA B VAL 18 ? ? CB B VAL 18 ? ? CG2 B VAL 18 ? ? 92.93 110.90 -17.97 1.50 N +397 1 CB B ASN 19 ? ? CG B ASN 19 ? ? OD1 B ASN 19 ? ? 133.88 121.60 12.28 2.00 N +398 1 CB B ASN 19 ? ? CG B ASN 19 ? ? ND2 B ASN 19 ? ? 97.37 116.70 -19.33 2.40 N +399 1 CA B VAL 20 ? ? CB B VAL 20 ? ? CG1 B VAL 20 ? ? 100.63 110.90 -10.27 1.50 N +400 1 CA B VAL 20 ? ? C B VAL 20 ? ? N B ASP 21 ? ? 132.97 117.20 15.77 2.20 Y +401 1 O B VAL 20 ? ? C B VAL 20 ? ? N B ASP 21 ? ? 96.44 122.70 -26.26 1.60 Y +402 1 OD1 B ASP 21 ? ? CG B ASP 21 ? ? OD2 B ASP 21 ? ? 135.06 123.30 11.76 1.90 N +403 1 CB B ASP 21 ? ? CG B ASP 21 ? ? OD1 B ASP 21 ? ? 102.85 118.30 -15.45 0.90 N +404 1 CB B ASP 21 ? ? CG B ASP 21 ? ? OD2 B ASP 21 ? ? 101.24 118.30 -17.06 0.90 N +405 1 CB B GLU 22 ? ? CG B GLU 22 ? ? CD B GLU 22 ? ? 147.02 114.20 32.82 2.70 N +406 1 OE1 B GLU 22 ? ? CD B GLU 22 ? ? OE2 B GLU 22 ? ? 71.20 123.30 -52.10 1.20 N +407 1 CG B GLU 22 ? ? CD B GLU 22 ? ? OE1 B GLU 22 ? ? 91.22 118.30 -27.08 2.00 N +408 1 CG B GLU 22 ? ? CD B GLU 22 ? ? OE2 B GLU 22 ? ? 82.03 118.30 -36.27 2.00 N +409 1 CG1 B VAL 23 ? ? CB B VAL 23 ? ? CG2 B VAL 23 ? ? 123.94 110.90 13.04 1.60 N +410 1 CA B VAL 23 ? ? CB B VAL 23 ? ? CG2 B VAL 23 ? ? 94.69 110.90 -16.21 1.50 N +411 1 CA B GLY 24 ? ? C B GLY 24 ? ? O B GLY 24 ? ? 132.25 120.60 11.65 1.80 N +412 1 CB B GLU 26 ? ? CG B GLU 26 ? ? CD B GLU 26 ? ? 170.31 114.20 56.11 2.70 N +413 1 OE1 B GLU 26 ? ? CD B GLU 26 ? ? OE2 B GLU 26 ? ? 62.20 123.30 -61.10 1.20 N +414 1 CG B GLU 26 ? ? CD B GLU 26 ? ? OE1 B GLU 26 ? ? 90.12 118.30 -28.18 2.00 N +415 1 CG B GLU 26 ? ? CD B GLU 26 ? ? OE2 B GLU 26 ? ? 53.28 118.30 -65.02 2.00 N +416 1 O B GLU 26 ? ? C B GLU 26 ? ? N B ALA 27 ? ? 135.25 122.70 12.55 1.60 Y +417 1 N B ALA 27 ? ? CA B ALA 27 ? ? CB B ALA 27 ? ? 100.99 110.10 -9.11 1.40 N +418 1 CB B LEU 28 ? ? CG B LEU 28 ? ? CD2 B LEU 28 ? ? 87.71 111.00 -23.29 1.70 N +419 1 CA B LEU 28 ? ? C B LEU 28 ? ? O B LEU 28 ? ? 134.71 120.10 14.61 2.10 N +420 1 O B LEU 28 ? ? C B LEU 28 ? ? N B GLY 29 ? ? 112.02 123.20 -11.18 1.70 Y +421 1 NH1 B ARG 30 ? ? CZ B ARG 30 ? ? NH2 B ARG 30 ? ? 108.39 119.40 -11.01 1.10 N +422 1 NE B ARG 30 ? ? CZ B ARG 30 ? ? NH1 B ARG 30 ? ? 115.33 120.30 -4.97 0.50 N +423 1 NE B ARG 30 ? ? CZ B ARG 30 ? ? NH2 B ARG 30 ? ? 136.18 120.30 15.88 0.50 N +424 1 CB B LEU 31 ? ? CG B LEU 31 ? ? CD1 B LEU 31 ? ? 99.02 111.00 -11.98 1.70 N +425 1 CB B LEU 32 ? ? CG B LEU 32 ? ? CD1 B LEU 32 ? ? 137.61 111.00 26.61 1.70 N +426 1 CB B TYR 35 ? ? CG B TYR 35 ? ? CD2 B TYR 35 ? ? 127.21 121.00 6.21 0.60 N +427 1 CD1 B TYR 35 ? ? CG B TYR 35 ? ? CD2 B TYR 35 ? ? 108.71 117.90 -9.19 1.10 N +428 1 CZ B TYR 35 ? ? CE2 B TYR 35 ? ? CD2 B TYR 35 ? ? 126.29 119.80 6.49 0.90 N +429 1 O B TYR 35 ? ? C B TYR 35 ? ? N B PRO 36 ? ? 132.74 121.10 11.64 1.90 Y +430 1 CA B PRO 36 ? ? N B PRO 36 ? ? CD B PRO 36 ? ? 101.49 111.70 -10.21 1.40 N +431 1 N B PRO 36 ? ? CA B PRO 36 ? ? CB B PRO 36 ? ? 110.86 103.30 7.56 1.20 N +432 1 N B PRO 36 ? ? CD B PRO 36 ? ? CG B PRO 36 ? ? 115.86 103.20 12.66 1.50 N +433 1 O B PRO 36 ? ? C B PRO 36 ? ? N B TRP 37 ? ? 112.99 122.70 -9.71 1.60 Y +434 1 N B TRP 37 ? ? CA B TRP 37 ? ? CB B TRP 37 ? ? 99.53 110.60 -11.07 1.80 N +435 1 CD1 B TRP 37 ? ? CG B TRP 37 ? ? CD2 B TRP 37 ? ? 101.26 106.30 -5.04 0.80 N +436 1 CD1 B TRP 37 ? ? NE1 B TRP 37 ? ? CE2 B TRP 37 ? ? 122.56 109.00 13.56 0.90 N +437 1 CD2 B TRP 37 ? ? CE3 B TRP 37 ? ? CZ3 B TRP 37 ? ? 110.43 118.80 -8.37 1.30 N +438 1 CZ3 B TRP 37 ? ? CH2 B TRP 37 ? ? CZ2 B TRP 37 ? ? 132.31 121.60 10.71 1.20 N +439 1 CH2 B TRP 37 ? ? CZ2 B TRP 37 ? ? CE2 B TRP 37 ? ? 104.61 117.40 -12.79 1.00 N +440 1 N B THR 38 ? ? CA B THR 38 ? ? CB B THR 38 ? ? 125.34 110.30 15.04 1.90 N +441 1 CA B THR 38 ? ? CB B THR 38 ? ? CG2 B THR 38 ? ? 102.20 112.40 -10.20 1.40 N +442 1 NH1 B ARG 40 ? ? CZ B ARG 40 ? ? NH2 B ARG 40 ? ? 143.86 119.40 24.46 1.10 N +443 1 NE B ARG 40 ? ? CZ B ARG 40 ? ? NH1 B ARG 40 ? ? 109.38 120.30 -10.92 0.50 N +444 1 NE B ARG 40 ? ? CZ B ARG 40 ? ? NH2 B ARG 40 ? ? 102.52 120.30 -17.78 0.50 N +445 1 CA B ARG 40 ? ? C B ARG 40 ? ? O B ARG 40 ? ? 103.02 120.10 -17.08 2.10 N +446 1 CA B ARG 40 ? ? C B ARG 40 ? ? N B PHE 41 ? ? 136.08 117.20 18.88 2.20 Y +447 1 CB B PHE 41 ? ? CG B PHE 41 ? ? CD1 B PHE 41 ? ? 115.08 120.80 -5.72 0.70 N +448 1 CG B PHE 41 ? ? CD1 B PHE 41 ? ? CE1 B PHE 41 ? ? 114.14 120.80 -6.66 1.10 N +449 1 CG B PHE 41 ? ? CD2 B PHE 41 ? ? CE2 B PHE 41 ? ? 110.90 120.80 -9.90 1.10 N +450 1 CA B PHE 41 ? ? C B PHE 41 ? ? O B PHE 41 ? ? 105.90 120.10 -14.20 2.10 N +451 1 O B PHE 41 ? ? C B PHE 41 ? ? N B PHE 42 ? ? 144.28 122.70 21.58 1.60 Y +452 1 CB B PHE 42 ? ? CG B PHE 42 ? ? CD2 B PHE 42 ? ? 140.34 120.80 19.54 0.70 N +453 1 CD1 B PHE 42 ? ? CG B PHE 42 ? ? CD2 B PHE 42 ? ? 105.20 118.30 -13.10 1.30 N +454 1 CB B PHE 42 ? ? CG B PHE 42 ? ? CD1 B PHE 42 ? ? 113.94 120.80 -6.86 0.70 N +455 1 CG B PHE 42 ? ? CD1 B PHE 42 ? ? CE1 B PHE 42 ? ? 108.25 120.80 -12.55 1.10 N +456 1 CG B PHE 42 ? ? CD2 B PHE 42 ? ? CE2 B PHE 42 ? ? 133.67 120.80 12.87 1.10 N +457 1 CD1 B PHE 42 ? ? CE1 B PHE 42 ? ? CZ B PHE 42 ? ? 144.95 120.10 24.85 1.20 N +458 1 CE1 B PHE 42 ? ? CZ B PHE 42 ? ? CE2 B PHE 42 ? ? 104.05 120.00 -15.95 1.80 N +459 1 N B GLU 43 ? ? CA B GLU 43 ? ? CB B GLU 43 ? ? 90.03 110.60 -20.57 1.80 N +460 1 CA B GLU 43 ? ? CB B GLU 43 ? ? CG B GLU 43 ? ? 137.87 113.40 24.47 2.20 N +461 1 OE1 B GLU 43 ? ? CD B GLU 43 ? ? OE2 B GLU 43 ? ? 161.28 123.30 37.98 1.20 N +462 1 CG B GLU 43 ? ? CD B GLU 43 ? ? OE1 B GLU 43 ? ? 96.69 118.30 -21.61 2.00 N +463 1 CG B GLU 43 ? ? CD B GLU 43 ? ? OE2 B GLU 43 ? ? 69.22 118.30 -49.08 2.00 N +464 1 O B GLU 43 ? ? C B GLU 43 ? ? N B SER 44 ? ? 103.49 122.70 -19.21 1.60 Y +465 1 CB B SER 44 ? ? CA B SER 44 ? ? C B SER 44 ? ? 132.63 110.10 22.53 1.90 N +466 1 CA B SER 44 ? ? CB B SER 44 ? ? OG B SER 44 ? ? 147.51 111.20 36.31 2.70 N +467 1 CA B SER 44 ? ? C B SER 44 ? ? O B SER 44 ? ? 106.18 120.10 -13.92 2.10 N +468 1 O B SER 44 ? ? C B SER 44 ? ? N B PHE 45 ? ? 81.36 122.70 -41.34 1.60 Y +469 1 C B SER 44 ? ? N B PHE 45 ? ? CA B PHE 45 ? ? 137.08 121.70 15.38 2.50 Y +470 1 CB B PHE 45 ? ? CG B PHE 45 ? ? CD2 B PHE 45 ? ? 133.29 120.80 12.49 0.70 N +471 1 CB B PHE 45 ? ? CG B PHE 45 ? ? CD1 B PHE 45 ? ? 111.44 120.80 -9.36 0.70 N +472 1 CG B PHE 45 ? ? CD1 B PHE 45 ? ? CE1 B PHE 45 ? ? 109.15 120.80 -11.65 1.10 N +473 1 CG B PHE 45 ? ? CD2 B PHE 45 ? ? CE2 B PHE 45 ? ? 150.53 120.80 29.73 1.10 N +474 1 CE1 B PHE 45 ? ? CZ B PHE 45 ? ? CE2 B PHE 45 ? ? 137.54 120.00 17.54 1.80 N +475 1 CZ B PHE 45 ? ? CE2 B PHE 45 ? ? CD2 B PHE 45 ? ? 91.92 120.10 -28.18 1.20 N +476 1 CA B PHE 45 ? ? C B PHE 45 ? ? N B GLY 46 ? ? 137.46 116.20 21.26 2.00 Y +477 1 O B PHE 45 ? ? C B PHE 45 ? ? N B GLY 46 ? ? 110.21 123.20 -12.99 1.70 Y +478 1 O B GLY 46 ? ? C B GLY 46 ? ? N B ASP 47 ? ? 134.54 122.70 11.84 1.60 Y +479 1 CB B ASP 47 ? ? CA B ASP 47 ? ? C B ASP 47 ? ? 92.95 110.40 -17.45 2.00 N +480 1 N B ASP 47 ? ? CA B ASP 47 ? ? CB B ASP 47 ? ? 94.70 110.60 -15.90 1.80 N +481 1 OD1 B ASP 47 ? ? CG B ASP 47 ? ? OD2 B ASP 47 ? ? 104.05 123.30 -19.25 1.90 N +482 1 CA B ASP 47 ? ? C B ASP 47 ? ? N B LEU 48 ? ? 96.06 117.20 -21.14 2.20 Y +483 1 CB B LEU 48 ? ? CA B LEU 48 ? ? C B LEU 48 ? ? 125.86 110.20 15.66 1.90 N +484 1 CB B LEU 48 ? ? CG B LEU 48 ? ? CD2 B LEU 48 ? ? 129.15 111.00 18.15 1.70 N +485 1 C B LEU 48 ? ? N B SER 49 ? ? CA B SER 49 ? ? 100.19 121.70 -21.51 2.50 Y +486 1 CB B SER 49 ? ? CA B SER 49 ? ? C B SER 49 ? ? 84.79 110.10 -25.31 1.90 N +487 1 N B SER 49 ? ? CA B SER 49 ? ? CB B SER 49 ? ? 94.30 110.50 -16.20 1.50 N +488 1 N B SER 49 ? ? CA B SER 49 ? ? C B SER 49 ? ? 92.80 111.00 -18.20 2.70 N +489 1 CA B SER 49 ? ? C B SER 49 ? ? O B SER 49 ? ? 92.07 120.10 -28.03 2.10 N +490 1 CA B SER 49 ? ? C B SER 49 ? ? N B THR 50 ? ? 137.76 117.20 20.56 2.20 Y +491 1 O B SER 49 ? ? C B SER 49 ? ? N B THR 50 ? ? 88.45 122.70 -34.25 1.60 Y +492 1 C B SER 49 ? ? N B THR 50 ? ? CA B THR 50 ? ? 157.11 121.70 35.41 2.50 Y +493 1 N B THR 50 ? ? CA B THR 50 ? ? CB B THR 50 ? ? 94.41 110.30 -15.89 1.90 N +494 1 CA B THR 50 ? ? CB B THR 50 ? ? OG1 B THR 50 ? ? 123.70 109.00 14.70 2.10 N +495 1 CA B THR 50 ? ? CB B THR 50 ? ? CG2 B THR 50 ? ? 137.00 112.40 24.60 1.40 N +496 1 N B THR 50 ? ? CA B THR 50 ? ? C B THR 50 ? ? 127.36 111.00 16.36 2.70 N +497 1 O B PRO 51 ? ? C B PRO 51 ? ? N B ASP 52 ? ? 109.01 122.70 -13.69 1.60 Y +498 1 OD1 B ASP 52 ? ? CG B ASP 52 ? ? OD2 B ASP 52 ? ? 110.38 123.30 -12.92 1.90 N +499 1 CB B ASP 52 ? ? CG B ASP 52 ? ? OD2 B ASP 52 ? ? 98.72 118.30 -19.58 0.90 N +500 1 CA B ALA 53 ? ? C B ALA 53 ? ? O B ALA 53 ? ? 145.63 120.10 25.53 2.10 N +501 1 O B ALA 53 ? ? C B ALA 53 ? ? N B VAL 54 ? ? 107.35 122.70 -15.35 1.60 Y +502 1 CG1 B VAL 54 ? ? CB B VAL 54 ? ? CG2 B VAL 54 ? ? 123.72 110.90 12.82 1.60 N +503 1 O B MET 55 ? ? C B MET 55 ? ? N B GLY 56 ? ? 136.15 123.20 12.95 1.70 Y +504 1 O B GLY 56 ? ? C B GLY 56 ? ? N B ASN 57 ? ? 99.20 122.70 -23.50 1.60 Y +505 1 O B ASN 57 ? ? C B ASN 57 ? ? N B PRO 58 ? ? 106.26 121.10 -14.84 1.90 Y +506 1 C B ASN 57 ? ? N B PRO 58 ? ? CA B PRO 58 ? ? 131.35 119.30 12.05 1.50 Y +507 1 C B ASN 57 ? ? N B PRO 58 ? ? CD B PRO 58 ? ? 115.20 128.40 -13.20 2.10 Y +508 1 CB B PRO 58 ? ? CG B PRO 58 ? ? CD B PRO 58 ? ? 145.32 106.50 38.82 3.90 N +509 1 N B PRO 58 ? ? CD B PRO 58 ? ? CG B PRO 58 ? ? 81.22 103.20 -21.98 1.50 N +510 1 O B PRO 58 ? ? C B PRO 58 ? ? N B LYS 59 ? ? 133.48 122.70 10.78 1.60 Y +511 1 CG B LYS 59 ? ? CD B LYS 59 ? ? CE B LYS 59 ? ? 92.60 111.90 -19.30 3.00 N +512 1 CD B LYS 59 ? ? CE B LYS 59 ? ? NZ B LYS 59 ? ? 71.60 111.70 -40.10 2.30 N +513 1 CG1 B VAL 60 ? ? CB B VAL 60 ? ? CG2 B VAL 60 ? ? 124.71 110.90 13.81 1.60 N +514 1 CA B VAL 60 ? ? C B VAL 60 ? ? O B VAL 60 ? ? 140.34 120.10 20.24 2.10 N +515 1 O B VAL 60 ? ? C B VAL 60 ? ? N B LYS 61 ? ? 105.35 122.70 -17.35 1.60 Y +516 1 CB B LYS 61 ? ? CA B LYS 61 ? ? C B LYS 61 ? ? 98.06 110.40 -12.34 2.00 N +517 1 CG B LYS 61 ? ? CD B LYS 61 ? ? CE B LYS 61 ? ? 93.24 111.90 -18.66 3.00 N +518 1 CD B LYS 61 ? ? CE B LYS 61 ? ? NZ B LYS 61 ? ? 89.17 111.70 -22.53 2.30 N +519 1 O B LYS 61 ? ? C B LYS 61 ? ? N B ALA 62 ? ? 111.25 122.70 -11.45 1.60 Y +520 1 CA B HIS 63 ? ? CB B HIS 63 ? ? CG B HIS 63 ? ? 124.09 113.60 10.49 1.70 N +521 1 CE1 B HIS 63 ? ? NE2 B HIS 63 ? ? CD2 B HIS 63 ? ? 115.25 109.00 6.25 0.70 N +522 1 CA B GLY 64 ? ? C B GLY 64 ? ? O B GLY 64 ? ? 142.69 120.60 22.09 1.80 N +523 1 O B GLY 64 ? ? C B GLY 64 ? ? N B LYS 65 ? ? 110.06 122.70 -12.64 1.60 Y +524 1 CA B LYS 65 ? ? CB B LYS 65 ? ? CG B LYS 65 ? ? 99.27 113.40 -14.13 2.20 N +525 1 CB B LYS 65 ? ? CG B LYS 65 ? ? CD B LYS 65 ? ? 93.52 111.60 -18.08 2.60 N +526 1 CG B LYS 65 ? ? CD B LYS 65 ? ? CE B LYS 65 ? ? 64.38 111.90 -47.52 3.00 N +527 1 CD B LYS 65 ? ? CE B LYS 65 ? ? NZ B LYS 65 ? ? 71.25 111.70 -40.45 2.30 N +528 1 CB B LYS 66 ? ? CA B LYS 66 ? ? C B LYS 66 ? ? 97.05 110.40 -13.35 2.00 N +529 1 CA B LYS 66 ? ? CB B LYS 66 ? ? CG B LYS 66 ? ? 127.27 113.40 13.87 2.20 N +530 1 CG B LYS 66 ? ? CD B LYS 66 ? ? CE B LYS 66 ? ? 88.62 111.90 -23.28 3.00 N +531 1 CD B LYS 66 ? ? CE B LYS 66 ? ? NZ B LYS 66 ? ? 90.86 111.70 -20.84 2.30 N +532 1 O B LYS 66 ? ? C B LYS 66 ? ? N B VAL 67 ? ? 133.58 122.70 10.88 1.60 Y +533 1 CG1 B VAL 67 ? ? CB B VAL 67 ? ? CG2 B VAL 67 ? ? 123.93 110.90 13.03 1.60 N +534 1 CD1 B LEU 68 ? ? CG B LEU 68 ? ? CD2 B LEU 68 ? ? 140.82 110.50 30.32 3.00 N +535 1 CB B LEU 68 ? ? CG B LEU 68 ? ? CD1 B LEU 68 ? ? 89.92 111.00 -21.08 1.70 N +536 1 CA B GLY 69 ? ? C B GLY 69 ? ? N B ALA 70 ? ? 102.13 117.20 -15.07 2.20 Y +537 1 CG B PHE 71 ? ? CD1 B PHE 71 ? ? CE1 B PHE 71 ? ? 127.68 120.80 6.88 1.10 N +538 1 CG B PHE 71 ? ? CD2 B PHE 71 ? ? CE2 B PHE 71 ? ? 112.68 120.80 -8.12 1.10 N +539 1 CZ B PHE 71 ? ? CE2 B PHE 71 ? ? CD2 B PHE 71 ? ? 130.29 120.10 10.19 1.20 N +540 1 CB B SER 72 ? ? CA B SER 72 ? ? C B SER 72 ? ? 130.02 110.10 19.92 1.90 N +541 1 CB B ASP 73 ? ? CG B ASP 73 ? ? OD1 B ASP 73 ? ? 126.82 118.30 8.52 0.90 N +542 1 CB B ASP 73 ? ? CG B ASP 73 ? ? OD2 B ASP 73 ? ? 108.10 118.30 -10.20 0.90 N +543 1 CA B ASP 73 ? ? C B ASP 73 ? ? N B GLY 74 ? ? 132.81 116.20 16.61 2.00 Y +544 1 O B ASP 73 ? ? C B ASP 73 ? ? N B GLY 74 ? ? 96.80 123.20 -26.40 1.70 Y +545 1 C B ASP 73 ? ? N B GLY 74 ? ? CA B GLY 74 ? ? 135.08 122.30 12.78 2.10 Y +546 1 N B GLY 74 ? ? CA B GLY 74 ? ? C B GLY 74 ? ? 129.54 113.10 16.44 2.50 N +547 1 CA B GLY 74 ? ? C B GLY 74 ? ? O B GLY 74 ? ? 150.49 120.60 29.89 1.80 N +548 1 CB B ALA 76 ? ? CA B ALA 76 ? ? C B ALA 76 ? ? 90.89 110.10 -19.21 1.50 N +549 1 N B ALA 76 ? ? CA B ALA 76 ? ? C B ALA 76 ? ? 127.47 111.00 16.47 2.70 N +550 1 CA B ALA 76 ? ? C B ALA 76 ? ? O B ALA 76 ? ? 134.51 120.10 14.41 2.10 N +551 1 CB B HIS 77 ? ? CG B HIS 77 ? ? CD2 B HIS 77 ? ? 108.71 129.70 -20.99 1.60 N +552 1 CB B HIS 77 ? ? CG B HIS 77 ? ? ND1 B HIS 77 ? ? 140.30 123.20 17.10 2.50 N +553 1 ND1 B HIS 77 ? ? CE1 B HIS 77 ? ? NE2 B HIS 77 ? ? 126.06 111.50 14.56 1.30 N +554 1 CE1 B HIS 77 ? ? NE2 B HIS 77 ? ? CD2 B HIS 77 ? ? 119.75 109.00 10.75 0.70 N +555 1 CG B HIS 77 ? ? CD2 B HIS 77 ? ? NE2 B HIS 77 ? ? 82.91 106.70 -23.79 1.20 N +556 1 CB B LEU 78 ? ? CA B LEU 78 ? ? C B LEU 78 ? ? 90.05 110.20 -20.15 1.90 N +557 1 CA B LEU 78 ? ? CB B LEU 78 ? ? CG B LEU 78 ? ? 97.25 115.30 -18.05 2.30 N +558 1 CB B LEU 78 ? ? CG B LEU 78 ? ? CD2 B LEU 78 ? ? 130.65 111.00 19.65 1.70 N +559 1 CA B LEU 78 ? ? C B LEU 78 ? ? O B LEU 78 ? ? 106.89 120.10 -13.21 2.10 N +560 1 N B ASP 79 ? ? CA B ASP 79 ? ? CB B ASP 79 ? ? 96.43 110.60 -14.17 1.80 N +561 1 OD1 B ASP 79 ? ? CG B ASP 79 ? ? OD2 B ASP 79 ? ? 108.75 123.30 -14.55 1.90 N +562 1 CB B ASP 79 ? ? CG B ASP 79 ? ? OD2 B ASP 79 ? ? 123.99 118.30 5.69 0.90 N +563 1 O B ASP 79 ? ? C B ASP 79 ? ? N B ASN 80 ? ? 103.90 122.70 -18.80 1.60 Y +564 1 CB B ASN 80 ? ? CG B ASN 80 ? ? OD1 B ASN 80 ? ? 99.80 121.60 -21.80 2.00 N +565 1 CB B ASN 80 ? ? CG B ASN 80 ? ? ND2 B ASN 80 ? ? 96.38 116.70 -20.32 2.40 N +566 1 N B ASN 80 ? ? CA B ASN 80 ? ? C B ASN 80 ? ? 92.62 111.00 -18.38 2.70 N +567 1 CA B ASN 80 ? ? C B ASN 80 ? ? O B ASN 80 ? ? 104.02 120.10 -16.08 2.10 N +568 1 C B ASN 80 ? ? N B LEU 81 ? ? CA B LEU 81 ? ? 105.80 121.70 -15.90 2.50 Y +569 1 CB B LEU 81 ? ? CA B LEU 81 ? ? C B LEU 81 ? ? 130.30 110.20 20.10 1.90 N +570 1 N B LEU 81 ? ? CA B LEU 81 ? ? CB B LEU 81 ? ? 90.71 110.40 -19.69 2.00 N +571 1 CA B LEU 81 ? ? CB B LEU 81 ? ? CG B LEU 81 ? ? 136.56 115.30 21.26 2.30 N +572 1 CB B LEU 81 ? ? CG B LEU 81 ? ? CD1 B LEU 81 ? ? 121.89 111.00 10.89 1.70 N +573 1 N B LYS 82 ? ? CA B LYS 82 ? ? CB B LYS 82 ? ? 89.19 110.60 -21.41 1.80 N +574 1 O B LYS 82 ? ? C B LYS 82 ? ? N B GLY 83 ? ? 111.49 123.20 -11.71 1.70 Y +575 1 N B THR 84 ? ? CA B THR 84 ? ? CB B THR 84 ? ? 123.27 110.30 12.97 1.90 N +576 1 CA B THR 84 ? ? C B THR 84 ? ? O B THR 84 ? ? 135.17 120.10 15.07 2.10 N +577 1 O B THR 84 ? ? C B THR 84 ? ? N B PHE 85 ? ? 111.85 122.70 -10.85 1.60 Y +578 1 CB B PHE 85 ? ? CG B PHE 85 ? ? CD2 B PHE 85 ? ? 113.11 120.80 -7.69 0.70 N +579 1 CB B PHE 85 ? ? CG B PHE 85 ? ? CD1 B PHE 85 ? ? 126.62 120.80 5.82 0.70 N +580 1 CG B PHE 85 ? ? CD2 B PHE 85 ? ? CE2 B PHE 85 ? ? 107.55 120.80 -13.25 1.10 N +581 1 CD1 B PHE 85 ? ? CE1 B PHE 85 ? ? CZ B PHE 85 ? ? 132.61 120.10 12.51 1.20 N +582 1 CE1 B PHE 85 ? ? CZ B PHE 85 ? ? CE2 B PHE 85 ? ? 101.58 120.00 -18.42 1.80 N +583 1 CZ B PHE 85 ? ? CE2 B PHE 85 ? ? CD2 B PHE 85 ? ? 139.32 120.10 19.22 1.20 N +584 1 CB B THR 87 ? ? CA B THR 87 ? ? C B THR 87 ? ? 90.47 111.60 -21.13 2.70 N +585 1 OG1 B THR 87 ? ? CB B THR 87 ? ? CG2 B THR 87 ? ? 77.55 110.00 -32.45 2.30 N +586 1 CA B THR 87 ? ? CB B THR 87 ? ? OG1 B THR 87 ? ? 88.47 109.00 -20.53 2.10 N +587 1 CA B THR 87 ? ? CB B THR 87 ? ? CG2 B THR 87 ? ? 94.64 112.40 -17.76 1.40 N +588 1 CB B LEU 88 ? ? CG B LEU 88 ? ? CD1 B LEU 88 ? ? 99.73 111.00 -11.27 1.70 N +589 1 CB B LEU 88 ? ? CG B LEU 88 ? ? CD2 B LEU 88 ? ? 96.67 111.00 -14.33 1.70 N +590 1 N B SER 89 ? ? CA B SER 89 ? ? CB B SER 89 ? ? 98.15 110.50 -12.35 1.50 N +591 1 CA B GLU 90 ? ? CB B GLU 90 ? ? CG B GLU 90 ? ? 98.79 113.40 -14.61 2.20 N +592 1 OE1 B GLU 90 ? ? CD B GLU 90 ? ? OE2 B GLU 90 ? ? 130.61 123.30 7.31 1.20 N +593 1 CG B GLU 90 ? ? CD B GLU 90 ? ? OE1 B GLU 90 ? ? 98.66 118.30 -19.64 2.00 N +594 1 CG B GLU 90 ? ? CD B GLU 90 ? ? OE2 B GLU 90 ? ? 104.95 118.30 -13.35 2.00 N +595 1 N B GLU 90 ? ? CA B GLU 90 ? ? C B GLU 90 ? ? 138.56 111.00 27.56 2.70 N +596 1 CA B GLU 90 ? ? C B GLU 90 ? ? O B GLU 90 ? ? 133.73 120.10 13.63 2.10 N +597 1 CA B GLU 90 ? ? C B GLU 90 ? ? N B LEU 91 ? ? 97.42 117.20 -19.78 2.20 Y +598 1 C B LEU 91 ? ? N B HIS 92 ? ? CA B HIS 92 ? ? 105.54 121.70 -16.16 2.50 Y +599 1 CE1 B HIS 92 ? ? NE2 B HIS 92 ? ? CD2 B HIS 92 ? ? 114.26 109.00 5.26 0.70 N +600 1 O B CYS 93 ? ? C B CYS 93 ? ? N B ASP 94 ? ? 132.64 122.70 9.94 1.60 Y +601 1 OD1 B ASP 94 ? ? CG B ASP 94 ? ? OD2 B ASP 94 ? ? 154.79 123.30 31.49 1.90 N +602 1 CB B ASP 94 ? ? CG B ASP 94 ? ? OD1 B ASP 94 ? ? 97.42 118.30 -20.88 0.90 N +603 1 CB B ASP 94 ? ? CG B ASP 94 ? ? OD2 B ASP 94 ? ? 105.76 118.30 -12.54 0.90 N +604 1 CA B ASP 94 ? ? C B ASP 94 ? ? N B LYS 95 ? ? 135.16 117.20 17.96 2.20 Y +605 1 O B ASP 94 ? ? C B ASP 94 ? ? N B LYS 95 ? ? 106.74 122.70 -15.96 1.60 Y +606 1 N B LYS 95 ? ? CA B LYS 95 ? ? CB B LYS 95 ? ? 97.56 110.60 -13.04 1.80 N +607 1 N B LYS 95 ? ? CA B LYS 95 ? ? C B LYS 95 ? ? 127.81 111.00 16.81 2.70 N +608 1 O B LYS 95 ? ? C B LYS 95 ? ? N B LEU 96 ? ? 112.27 122.70 -10.43 1.60 Y +609 1 CB B LEU 96 ? ? CG B LEU 96 ? ? CD2 B LEU 96 ? ? 91.83 111.00 -19.17 1.70 N +610 1 CG B HIS 97 ? ? CD2 B HIS 97 ? ? NE2 B HIS 97 ? ? 97.74 106.70 -8.96 1.20 N +611 1 OD1 B ASP 99 ? ? CG B ASP 99 ? ? OD2 B ASP 99 ? ? 137.79 123.30 14.49 1.90 N +612 1 CB B ASP 99 ? ? CG B ASP 99 ? ? OD1 B ASP 99 ? ? 111.27 118.30 -7.03 0.90 N +613 1 CB B ASP 99 ? ? CG B ASP 99 ? ? OD2 B ASP 99 ? ? 110.87 118.30 -7.43 0.90 N +614 1 N B ASP 99 ? ? CA B ASP 99 ? ? C B ASP 99 ? ? 93.60 111.00 -17.40 2.70 N +615 1 OE1 B GLU 101 ? ? CD B GLU 101 ? ? OE2 B GLU 101 ? ? 178.51 123.30 55.21 1.20 N +616 1 CG B GLU 101 ? ? CD B GLU 101 ? ? OE1 B GLU 101 ? ? 105.23 118.30 -13.07 2.00 N +617 1 CG B GLU 101 ? ? CD B GLU 101 ? ? OE2 B GLU 101 ? ? 75.82 118.30 -42.48 2.00 N +618 1 O B GLU 101 ? ? C B GLU 101 ? ? N B ASN 102 ? ? 112.24 122.70 -10.46 1.60 Y +619 1 N B PHE 103 ? ? CA B PHE 103 ? ? CB B PHE 103 ? ? 122.38 110.60 11.78 1.80 N +620 1 CD1 B PHE 103 ? ? CG B PHE 103 ? ? CD2 B PHE 103 ? ? 126.29 118.30 7.99 1.30 N +621 1 CB B PHE 103 ? ? CG B PHE 103 ? ? CD1 B PHE 103 ? ? 114.99 120.80 -5.81 0.70 N +622 1 CG B PHE 103 ? ? CD2 B PHE 103 ? ? CE2 B PHE 103 ? ? 113.88 120.80 -6.92 1.10 N +623 1 CG B ARG 104 ? ? CD B ARG 104 ? ? NE B ARG 104 ? ? 99.13 111.80 -12.67 2.10 N +624 1 CD B ARG 104 ? ? NE B ARG 104 ? ? CZ B ARG 104 ? ? 71.54 123.60 -52.06 1.40 N +625 1 NH1 B ARG 104 ? ? CZ B ARG 104 ? ? NH2 B ARG 104 ? ? 131.45 119.40 12.05 1.10 N +626 1 NE B ARG 104 ? ? CZ B ARG 104 ? ? NH2 B ARG 104 ? ? 102.98 120.30 -17.32 0.50 N +627 1 OD1 B ASN 108 ? ? CG B ASN 108 ? ? ND2 B ASN 108 ? ? 164.26 121.90 42.36 2.30 N +628 1 CB B ASN 108 ? ? CG B ASN 108 ? ? ND2 B ASN 108 ? ? 84.52 116.70 -32.18 2.40 N +629 1 O B VAL 111 ? ? C B VAL 111 ? ? N B CYS 112 ? ? 108.74 122.70 -13.96 1.60 Y +630 1 N B CYS 112 ? ? CA B CYS 112 ? ? CB B CYS 112 ? ? 123.02 110.80 12.22 1.50 N +631 1 CA B VAL 113 ? ? C B VAL 113 ? ? N B LEU 114 ? ? 132.06 117.20 14.86 2.20 Y +632 1 CB B LEU 114 ? ? CA B LEU 114 ? ? C B LEU 114 ? ? 125.99 110.20 15.79 1.90 N +633 1 N B ALA 115 ? ? CA B ALA 115 ? ? CB B ALA 115 ? ? 98.40 110.10 -11.70 1.40 N +634 1 CB B HIS 117 ? ? CG B HIS 117 ? ? CD2 B HIS 117 ? ? 145.12 131.40 13.72 1.20 N +635 1 ND1 B HIS 117 ? ? CG B HIS 117 ? ? CD2 B HIS 117 ? ? 124.61 108.80 15.81 1.40 N +636 1 CB B HIS 117 ? ? CG B HIS 117 ? ? ND1 B HIS 117 ? ? 90.13 121.40 -31.27 1.30 N +637 1 CE1 B HIS 117 ? ? NE2 B HIS 117 ? ? CD2 B HIS 117 ? ? 116.65 109.00 7.65 0.70 N +638 1 CG B HIS 117 ? ? CD2 B HIS 117 ? ? NE2 B HIS 117 ? ? 79.80 106.70 -26.90 1.20 N +639 1 CB B PHE 118 ? ? CG B PHE 118 ? ? CD2 B PHE 118 ? ? 132.09 120.80 11.29 0.70 N +640 1 CD1 B PHE 118 ? ? CG B PHE 118 ? ? CD2 B PHE 118 ? ? 107.83 118.30 -10.47 1.30 N +641 1 CE1 B PHE 118 ? ? CZ B PHE 118 ? ? CE2 B PHE 118 ? ? 103.59 120.00 -16.41 1.80 N +642 1 CZ B PHE 118 ? ? CE2 B PHE 118 ? ? CD2 B PHE 118 ? ? 127.80 120.10 7.70 1.20 N +643 1 CB B LYS 120 ? ? CA B LYS 120 ? ? C B LYS 120 ? ? 98.13 110.40 -12.27 2.00 N +644 1 CG B LYS 120 ? ? CD B LYS 120 ? ? CE B LYS 120 ? ? 93.53 111.90 -18.37 3.00 N +645 1 CG B GLU 121 ? ? CD B GLU 121 ? ? OE1 B GLU 121 ? ? 90.94 118.30 -27.36 2.00 N +646 1 CG B GLU 121 ? ? CD B GLU 121 ? ? OE2 B GLU 121 ? ? 85.18 118.30 -33.12 2.00 N +647 1 CB B PHE 122 ? ? CG B PHE 122 ? ? CD2 B PHE 122 ? ? 114.14 120.80 -6.66 0.70 N +648 1 CD1 B PHE 122 ? ? CE1 B PHE 122 ? ? CZ B PHE 122 ? ? 110.93 120.10 -9.17 1.20 N +649 1 C B PRO 124 ? ? N B PRO 125 ? ? CA B PRO 125 ? ? 133.07 119.30 13.77 1.50 Y +650 1 CA B PRO 125 ? ? N B PRO 125 ? ? CD B PRO 125 ? ? 97.77 111.70 -13.93 1.40 N +651 1 N B PRO 125 ? ? CA B PRO 125 ? ? CB B PRO 125 ? ? 118.99 103.30 15.69 1.20 N +652 1 CG1 B VAL 126 ? ? CB B VAL 126 ? ? CG2 B VAL 126 ? ? 95.74 110.90 -15.16 1.60 N +653 1 CA B VAL 126 ? ? C B VAL 126 ? ? N B GLN 127 ? ? 132.33 117.20 15.13 2.20 Y +654 1 O B VAL 126 ? ? C B VAL 126 ? ? N B GLN 127 ? ? 111.24 122.70 -11.46 1.60 Y +655 1 CA B GLN 127 ? ? C B GLN 127 ? ? O B GLN 127 ? ? 137.22 120.10 17.12 2.10 N +656 1 O B GLN 127 ? ? C B GLN 127 ? ? N B ALA 128 ? ? 107.79 122.70 -14.91 1.60 Y +657 1 CB B TYR 130 ? ? CG B TYR 130 ? ? CD2 B TYR 130 ? ? 116.79 121.00 -4.21 0.60 N +658 1 CB B TYR 130 ? ? CG B TYR 130 ? ? CD1 B TYR 130 ? ? 126.60 121.00 5.60 0.60 N +659 1 CD1 B TYR 130 ? ? CE1 B TYR 130 ? ? CZ B TYR 130 ? ? 126.62 119.80 6.82 0.90 N +660 1 CZ B TYR 130 ? ? CE2 B TYR 130 ? ? CD2 B TYR 130 ? ? 111.95 119.80 -7.85 0.90 N +661 1 CG B LYS 132 ? ? CD B LYS 132 ? ? CE B LYS 132 ? ? 92.40 111.90 -19.50 3.00 N +662 1 CD B LYS 132 ? ? CE B LYS 132 ? ? NZ B LYS 132 ? ? 79.06 111.70 -32.64 2.30 N +663 1 N B VAL 134 ? ? CA B VAL 134 ? ? CB B VAL 134 ? ? 135.16 111.50 23.66 2.20 N +664 1 CA B VAL 134 ? ? CB B VAL 134 ? ? CG1 B VAL 134 ? ? 96.72 110.90 -14.18 1.50 N +665 1 O B VAL 134 ? ? C B VAL 134 ? ? N B ALA 135 ? ? 109.92 122.70 -12.78 1.60 Y +666 1 CA B ALA 138 ? ? C B ALA 138 ? ? O B ALA 138 ? ? 133.71 120.10 13.61 2.10 N +667 1 CB B ASN 139 ? ? CA B ASN 139 ? ? C B ASN 139 ? ? 91.33 110.40 -19.07 2.00 N +668 1 CA B ASN 139 ? ? CB B ASN 139 ? ? CG B ASN 139 ? ? 98.69 113.40 -14.71 2.20 N +669 1 OD1 B ASN 139 ? ? CG B ASN 139 ? ? ND2 B ASN 139 ? ? 62.94 121.90 -58.96 2.30 N +670 1 CB B ASN 139 ? ? CG B ASN 139 ? ? OD1 B ASN 139 ? ? 155.55 121.60 33.95 2.00 N +671 1 O B ALA 140 ? ? C B ALA 140 ? ? N B LEU 141 ? ? 110.79 122.70 -11.91 1.60 Y +672 1 CB B LEU 141 ? ? CA B LEU 141 ? ? C B LEU 141 ? ? 122.77 110.20 12.57 1.90 N +673 1 O B LEU 141 ? ? C B LEU 141 ? ? N B ALA 142 ? ? 112.25 122.70 -10.45 1.60 Y +674 1 N B ALA 142 ? ? CA B ALA 142 ? ? CB B ALA 142 ? ? 119.02 110.10 8.92 1.40 N +675 1 CA B ALA 142 ? ? C B ALA 142 ? ? O B ALA 142 ? ? 105.94 120.10 -14.16 2.10 N +676 1 O B ALA 142 ? ? C B ALA 142 ? ? N B HIS 143 ? ? 138.52 122.70 15.82 1.60 Y +677 1 CB B HIS 143 ? ? CG B HIS 143 ? ? CD2 B HIS 143 ? ? 113.44 129.70 -16.26 1.60 N +678 1 ND1 B HIS 143 ? ? CG B HIS 143 ? ? CD2 B HIS 143 ? ? 154.78 108.80 45.98 1.40 N +679 1 CB B HIS 143 ? ? CG B HIS 143 ? ? ND1 B HIS 143 ? ? 89.66 121.40 -31.74 1.30 N +680 1 CG B HIS 143 ? ? ND1 B HIS 143 ? ? CE1 B HIS 143 ? ? 59.66 105.70 -46.04 1.30 N +681 1 ND1 B HIS 143 ? ? CE1 B HIS 143 ? ? NE2 B HIS 143 ? ? 121.85 111.50 10.35 1.30 N +682 1 CG B LYS 144 ? ? CD B LYS 144 ? ? CE B LYS 144 ? ? 165.57 111.90 53.67 3.00 N +683 1 CA B LYS 144 ? ? C B LYS 144 ? ? N B TYR 145 ? ? 137.95 117.20 20.75 2.20 Y +684 1 O B LYS 144 ? ? C B LYS 144 ? ? N B TYR 145 ? ? 105.00 122.70 -17.70 1.60 Y +685 1 C B LYS 144 ? ? N B TYR 145 ? ? CA B TYR 145 ? ? 144.11 121.70 22.41 2.50 Y +686 1 N B TYR 145 ? ? CA B TYR 145 ? ? CB B TYR 145 ? ? 131.06 110.60 20.46 1.80 N +687 1 CB B TYR 145 ? ? CG B TYR 145 ? ? CD2 B TYR 145 ? ? 107.46 121.00 -13.54 0.60 N +688 1 CD1 B TYR 145 ? ? CG B TYR 145 ? ? CD2 B TYR 145 ? ? 133.07 117.90 15.17 1.10 N +689 1 CG B TYR 145 ? ? CD2 B TYR 145 ? ? CE2 B TYR 145 ? ? 109.69 121.30 -11.61 0.80 N +690 1 CA B TYR 145 ? ? C B TYR 145 ? ? O B TYR 145 ? ? 99.74 120.10 -20.36 2.10 N +691 1 O B TYR 145 ? ? C B TYR 145 ? ? N B HIS 146 ? ? 132.68 122.70 9.98 1.60 Y +692 1 CA B HIS 146 ? ? CB B HIS 146 ? ? CG B HIS 146 ? ? 99.50 113.60 -14.10 1.70 N +693 1 CB B HIS 146 ? ? CG B HIS 146 ? ? CD2 B HIS 146 ? ? 92.07 129.70 -37.63 1.60 N +694 1 ND1 B HIS 146 ? ? CG B HIS 146 ? ? CD2 B HIS 146 ? ? 87.90 106.00 -18.10 1.40 N +695 1 CB B HIS 146 ? ? CG B HIS 146 ? ? ND1 B HIS 146 ? ? 100.45 121.40 -20.95 1.30 N +696 1 ND1 B HIS 146 ? ? CE1 B HIS 146 ? ? NE2 B HIS 146 ? ? 79.07 108.50 -29.43 1.10 N +697 1 CG B HIS 146 ? ? CD2 B HIS 146 ? ? NE2 B HIS 146 ? ? 82.55 106.70 -24.15 1.20 N +698 1 CB C VAL 1 ? ? CA C VAL 1 ? ? C C VAL 1 ? ? 99.62 111.40 -11.78 1.90 N +699 1 N C VAL 1 ? ? CA C VAL 1 ? ? CB C VAL 1 ? ? 69.02 111.50 -42.48 2.20 N +700 1 CG1 C VAL 1 ? ? CB C VAL 1 ? ? CG2 C VAL 1 ? ? 53.57 110.90 -57.33 1.60 N +701 1 CA C VAL 1 ? ? CB C VAL 1 ? ? CG1 C VAL 1 ? ? 72.02 110.90 -38.88 1.50 N +702 1 CA C VAL 1 ? ? CB C VAL 1 ? ? CG2 C VAL 1 ? ? 76.74 110.90 -34.16 1.50 N +703 1 N C VAL 1 ? ? CA C VAL 1 ? ? C C VAL 1 ? ? 87.48 111.00 -23.52 2.70 N +704 1 CA C VAL 1 ? ? C C VAL 1 ? ? O C VAL 1 ? ? 133.61 120.10 13.51 2.10 N +705 1 CB C LEU 2 ? ? CG C LEU 2 ? ? CD2 C LEU 2 ? ? 121.77 111.00 10.77 1.70 N +706 1 CA C LEU 2 ? ? C C LEU 2 ? ? O C LEU 2 ? ? 96.74 120.10 -23.36 2.10 N +707 1 O C LEU 2 ? ? C C LEU 2 ? ? N C SER 3 ? ? 138.85 122.70 16.15 1.60 Y +708 1 CB C SER 3 ? ? CA C SER 3 ? ? C C SER 3 ? ? 124.60 110.10 14.50 1.90 N +709 1 O C SER 3 ? ? C C SER 3 ? ? N C PRO 4 ? ? 106.73 121.10 -14.37 1.90 Y +710 1 C C SER 3 ? ? N C PRO 4 ? ? CA C PRO 4 ? ? 128.32 119.30 9.02 1.50 Y +711 1 C C SER 3 ? ? N C PRO 4 ? ? CD C PRO 4 ? ? 110.74 128.40 -17.66 2.10 Y +712 1 CA C PRO 4 ? ? C C PRO 4 ? ? N C ALA 5 ? ? 102.44 117.20 -14.76 2.20 Y +713 1 O C PRO 4 ? ? C C PRO 4 ? ? N C ALA 5 ? ? 138.37 122.70 15.67 1.60 Y +714 1 N C ALA 5 ? ? CA C ALA 5 ? ? CB C ALA 5 ? ? 123.14 110.10 13.04 1.40 N +715 1 CA C ALA 5 ? ? C C ALA 5 ? ? N C ASP 6 ? ? 103.52 117.20 -13.68 2.20 Y +716 1 CB C ASP 6 ? ? CG C ASP 6 ? ? OD2 C ASP 6 ? ? 112.39 118.30 -5.91 0.90 N +717 1 CB C LYS 7 ? ? CA C LYS 7 ? ? C C LYS 7 ? ? 126.79 110.40 16.39 2.00 N +718 1 CD C LYS 7 ? ? CE C LYS 7 ? ? NZ C LYS 7 ? ? 147.18 111.70 35.48 2.30 N +719 1 CA C LYS 7 ? ? C C LYS 7 ? ? O C LYS 7 ? ? 141.55 120.10 21.45 2.10 N +720 1 CA C LYS 7 ? ? C C LYS 7 ? ? N C THR 8 ? ? 102.62 117.20 -14.58 2.20 Y +721 1 CG1 C VAL 10 ? ? CB C VAL 10 ? ? CG2 C VAL 10 ? ? 100.29 110.90 -10.61 1.60 N +722 1 O C VAL 10 ? ? C C VAL 10 ? ? N C LYS 11 ? ? 139.86 122.70 17.16 1.60 Y +723 1 CB C LYS 11 ? ? CA C LYS 11 ? ? C C LYS 11 ? ? 123.13 110.40 12.73 2.00 N +724 1 CA C LYS 11 ? ? CB C LYS 11 ? ? CG C LYS 11 ? ? 132.50 113.40 19.10 2.20 N +725 1 O C LYS 11 ? ? C C LYS 11 ? ? N C ALA 12 ? ? 112.92 122.70 -9.78 1.60 Y +726 1 CB C ALA 12 ? ? CA C ALA 12 ? ? C C ALA 12 ? ? 98.31 110.10 -11.79 1.50 N +727 1 N C ALA 12 ? ? CA C ALA 12 ? ? C C ALA 12 ? ? 135.37 111.00 24.37 2.70 N +728 1 CA C ALA 12 ? ? C C ALA 12 ? ? O C ALA 12 ? ? 150.55 120.10 30.45 2.10 N +729 1 O C ALA 12 ? ? C C ALA 12 ? ? N C ALA 13 ? ? 103.92 122.70 -18.78 1.60 Y +730 1 CB C ALA 13 ? ? CA C ALA 13 ? ? C C ALA 13 ? ? 119.65 110.10 9.55 1.50 N +731 1 CD1 C TRP 14 ? ? CG C TRP 14 ? ? CD2 C TRP 14 ? ? 116.24 106.30 9.94 0.80 N +732 1 CB C TRP 14 ? ? CG C TRP 14 ? ? CD1 C TRP 14 ? ? 110.72 127.00 -16.28 1.30 N +733 1 CG C TRP 14 ? ? CD1 C TRP 14 ? ? NE1 C TRP 14 ? ? 89.98 110.10 -20.12 1.00 N +734 1 CD1 C TRP 14 ? ? NE1 C TRP 14 ? ? CE2 C TRP 14 ? ? 127.89 109.00 18.89 0.90 N +735 1 NE1 C TRP 14 ? ? CE2 C TRP 14 ? ? CZ2 C TRP 14 ? ? 145.54 130.40 15.14 1.10 N +736 1 CD2 C TRP 14 ? ? CE2 C TRP 14 ? ? CZ2 C TRP 14 ? ? 110.73 122.30 -11.57 1.20 N +737 1 CE2 C TRP 14 ? ? CD2 C TRP 14 ? ? CG C TRP 14 ? ? 101.05 107.30 -6.25 0.80 N +738 1 CD2 C TRP 14 ? ? CE3 C TRP 14 ? ? CZ3 C TRP 14 ? ? 127.90 118.80 9.10 1.30 N +739 1 CE3 C TRP 14 ? ? CZ3 C TRP 14 ? ? CH2 C TRP 14 ? ? 102.92 121.20 -18.28 1.10 N +740 1 CH2 C TRP 14 ? ? CZ2 C TRP 14 ? ? CE2 C TRP 14 ? ? 129.48 117.40 12.08 1.00 N +741 1 CA C TRP 14 ? ? C C TRP 14 ? ? N C GLY 15 ? ? 137.76 116.20 21.56 2.00 Y +742 1 O C TRP 14 ? ? C C TRP 14 ? ? N C GLY 15 ? ? 95.90 123.20 -27.30 1.70 Y +743 1 C C TRP 14 ? ? N C GLY 15 ? ? CA C GLY 15 ? ? 156.60 122.30 34.30 2.10 Y +744 1 O C GLY 15 ? ? C C GLY 15 ? ? N C LYS 16 ? ? 111.03 122.70 -11.67 1.60 Y +745 1 C C GLY 15 ? ? N C LYS 16 ? ? CA C LYS 16 ? ? 153.81 121.70 32.11 2.50 Y +746 1 N C LYS 16 ? ? CA C LYS 16 ? ? CB C LYS 16 ? ? 142.40 110.60 31.80 1.80 N +747 1 CB C LYS 16 ? ? CG C LYS 16 ? ? CD C LYS 16 ? ? 76.80 111.60 -34.80 2.60 N +748 1 CD C LYS 16 ? ? CE C LYS 16 ? ? NZ C LYS 16 ? ? 84.96 111.70 -26.74 2.30 N +749 1 N C LYS 16 ? ? CA C LYS 16 ? ? C C LYS 16 ? ? 93.78 111.00 -17.22 2.70 N +750 1 CB C VAL 17 ? ? CA C VAL 17 ? ? C C VAL 17 ? ? 126.01 111.40 14.61 1.90 N +751 1 CG1 C VAL 17 ? ? CB C VAL 17 ? ? CG2 C VAL 17 ? ? 127.78 110.90 16.88 1.60 N +752 1 CA C VAL 17 ? ? C C VAL 17 ? ? O C VAL 17 ? ? 134.90 120.10 14.80 2.10 N +753 1 CA C VAL 17 ? ? C C VAL 17 ? ? N C GLY 18 ? ? 101.25 116.20 -14.95 2.00 Y +754 1 C C VAL 17 ? ? N C GLY 18 ? ? CA C GLY 18 ? ? 105.42 122.30 -16.88 2.10 Y +755 1 CA C GLY 18 ? ? C C GLY 18 ? ? N C ALA 19 ? ? 98.27 117.20 -18.93 2.20 Y +756 1 C C GLY 18 ? ? N C ALA 19 ? ? CA C ALA 19 ? ? 105.74 121.70 -15.96 2.50 Y +757 1 O C ALA 19 ? ? C C ALA 19 ? ? N C HIS 20 ? ? 102.16 122.70 -20.54 1.60 Y +758 1 CB C HIS 20 ? ? CG C HIS 20 ? ? ND1 C HIS 20 ? ? 95.46 121.40 -25.94 1.30 N +759 1 CG C HIS 20 ? ? ND1 C HIS 20 ? ? CE1 C HIS 20 ? ? 89.62 105.70 -16.08 1.30 N +760 1 ND1 C HIS 20 ? ? CE1 C HIS 20 ? ? NE2 C HIS 20 ? ? 98.37 108.50 -10.13 1.10 N +761 1 CE1 C HIS 20 ? ? NE2 C HIS 20 ? ? CD2 C HIS 20 ? ? 116.05 109.00 7.05 0.70 N +762 1 N C ALA 21 ? ? CA C ALA 21 ? ? CB C ALA 21 ? ? 100.69 110.10 -9.41 1.40 N +763 1 CA C ALA 21 ? ? C C ALA 21 ? ? N C GLY 22 ? ? 128.44 116.20 12.24 2.00 Y +764 1 CA C GLY 22 ? ? C C GLY 22 ? ? N C GLU 23 ? ? 140.09 117.20 22.89 2.20 Y +765 1 O C GLY 22 ? ? C C GLY 22 ? ? N C GLU 23 ? ? 95.95 122.70 -26.75 1.60 Y +766 1 C C GLY 22 ? ? N C GLU 23 ? ? CA C GLU 23 ? ? 142.23 121.70 20.53 2.50 Y +767 1 CB C GLU 23 ? ? CG C GLU 23 ? ? CD C GLU 23 ? ? 93.48 114.20 -20.72 2.70 N +768 1 OE1 C GLU 23 ? ? CD C GLU 23 ? ? OE2 C GLU 23 ? ? 89.06 123.30 -34.24 1.20 N +769 1 CG C GLU 23 ? ? CD C GLU 23 ? ? OE1 C GLU 23 ? ? 78.20 118.30 -40.10 2.00 N +770 1 CG C GLU 23 ? ? CD C GLU 23 ? ? OE2 C GLU 23 ? ? 87.19 118.30 -31.11 2.00 N +771 1 CB C TYR 24 ? ? CG C TYR 24 ? ? CD2 C TYR 24 ? ? 113.61 121.00 -7.39 0.60 N +772 1 CD1 C TYR 24 ? ? CG C TYR 24 ? ? CD2 C TYR 24 ? ? 132.59 117.90 14.69 1.10 N +773 1 CB C TYR 24 ? ? CG C TYR 24 ? ? CD1 C TYR 24 ? ? 113.59 121.00 -7.41 0.60 N +774 1 CG C TYR 24 ? ? CD1 C TYR 24 ? ? CE1 C TYR 24 ? ? 103.50 121.30 -17.80 0.80 N +775 1 CG C TYR 24 ? ? CD2 C TYR 24 ? ? CE2 C TYR 24 ? ? 115.46 121.30 -5.84 0.80 N +776 1 OH C TYR 24 ? ? CZ C TYR 24 ? ? CE2 C TYR 24 ? ? 100.24 120.10 -19.86 2.70 N +777 1 CE1 C TYR 24 ? ? CZ C TYR 24 ? ? CE2 C TYR 24 ? ? 144.85 119.80 25.05 1.60 N +778 1 CZ C TYR 24 ? ? CE2 C TYR 24 ? ? CD2 C TYR 24 ? ? 102.62 119.80 -17.18 0.90 N +779 1 CA C GLY 25 ? ? C C GLY 25 ? ? N C ALA 26 ? ? 135.28 117.20 18.08 2.20 Y +780 1 O C GLY 25 ? ? C C GLY 25 ? ? N C ALA 26 ? ? 100.81 122.70 -21.89 1.60 Y +781 1 C C GLY 25 ? ? N C ALA 26 ? ? CA C ALA 26 ? ? 136.86 121.70 15.16 2.50 Y +782 1 CA C ALA 26 ? ? C C ALA 26 ? ? O C ALA 26 ? ? 136.82 120.10 16.72 2.10 N +783 1 CA C LEU 29 ? ? C C LEU 29 ? ? O C LEU 29 ? ? 134.25 120.10 14.15 2.10 N +784 1 O C LEU 29 ? ? C C LEU 29 ? ? N C GLU 30 ? ? 105.17 122.70 -17.53 1.60 Y +785 1 OE1 C GLU 30 ? ? CD C GLU 30 ? ? OE2 C GLU 30 ? ? 162.05 123.30 38.75 1.20 N +786 1 CG C GLU 30 ? ? CD C GLU 30 ? ? OE1 C GLU 30 ? ? 92.94 118.30 -25.36 2.00 N +787 1 CG C GLU 30 ? ? CD C GLU 30 ? ? OE2 C GLU 30 ? ? 96.74 118.30 -21.56 2.00 N +788 1 NH1 C ARG 31 ? ? CZ C ARG 31 ? ? NH2 C ARG 31 ? ? 126.76 119.40 7.36 1.10 N +789 1 NE C ARG 31 ? ? CZ C ARG 31 ? ? NH2 C ARG 31 ? ? 113.95 120.30 -6.35 0.50 N +790 1 CB C PHE 33 ? ? CG C PHE 33 ? ? CD1 C PHE 33 ? ? 111.35 120.80 -9.45 0.70 N +791 1 CG C PHE 33 ? ? CD2 C PHE 33 ? ? CE2 C PHE 33 ? ? 107.05 120.80 -13.75 1.10 N +792 1 CZ C PHE 33 ? ? CE2 C PHE 33 ? ? CD2 C PHE 33 ? ? 128.35 120.10 8.25 1.20 N +793 1 CG C PHE 36 ? ? CD2 C PHE 36 ? ? CE2 C PHE 36 ? ? 111.42 120.80 -9.38 1.10 N +794 1 C C PHE 36 ? ? N C PRO 37 ? ? CD C PRO 37 ? ? 141.87 128.40 13.47 2.10 Y +795 1 CA C PRO 37 ? ? N C PRO 37 ? ? CD C PRO 37 ? ? 103.26 111.70 -8.44 1.40 N +796 1 N C PRO 37 ? ? CD C PRO 37 ? ? CG C PRO 37 ? ? 113.90 103.20 10.70 1.50 N +797 1 CB C THR 38 ? ? CA C THR 38 ? ? C C THR 38 ? ? 129.50 111.60 17.90 2.70 N +798 1 N C THR 38 ? ? CA C THR 38 ? ? CB C THR 38 ? ? 98.73 110.30 -11.57 1.90 N +799 1 OG1 C THR 38 ? ? CB C THR 38 ? ? CG2 C THR 38 ? ? 56.18 110.00 -53.82 2.30 N +800 1 CA C THR 38 ? ? CB C THR 38 ? ? OG1 C THR 38 ? ? 89.98 109.00 -19.02 2.10 N +801 1 CA C THR 38 ? ? CB C THR 38 ? ? CG2 C THR 38 ? ? 99.08 112.40 -13.32 1.40 N +802 1 CD C LYS 40 ? ? CE C LYS 40 ? ? NZ C LYS 40 ? ? 94.60 111.70 -17.10 2.30 N +803 1 CA C THR 41 ? ? C C THR 41 ? ? N C TYR 42 ? ? 141.42 117.20 24.22 2.20 Y +804 1 O C THR 41 ? ? C C THR 41 ? ? N C TYR 42 ? ? 103.89 122.70 -18.81 1.60 Y +805 1 CA C TYR 42 ? ? CB C TYR 42 ? ? CG C TYR 42 ? ? 99.10 113.40 -14.30 1.90 N +806 1 CB C TYR 42 ? ? CG C TYR 42 ? ? CD2 C TYR 42 ? ? 124.92 121.00 3.92 0.60 N +807 1 CD1 C TYR 42 ? ? CE1 C TYR 42 ? ? CZ C TYR 42 ? ? 126.70 119.80 6.90 0.90 N +808 1 CB C PHE 43 ? ? CG C PHE 43 ? ? CD2 C PHE 43 ? ? 113.84 120.80 -6.96 0.70 N +809 1 CD1 C PHE 43 ? ? CG C PHE 43 ? ? CD2 C PHE 43 ? ? 126.16 118.30 7.86 1.30 N +810 1 CG C PHE 43 ? ? CD1 C PHE 43 ? ? CE1 C PHE 43 ? ? 112.26 120.80 -8.54 1.10 N +811 1 CG C PHE 43 ? ? CD2 C PHE 43 ? ? CE2 C PHE 43 ? ? 105.39 120.80 -15.41 1.10 N +812 1 CD1 C PHE 43 ? ? CE1 C PHE 43 ? ? CZ C PHE 43 ? ? 129.62 120.10 9.52 1.20 N +813 1 CE1 C PHE 43 ? ? CZ C PHE 43 ? ? CE2 C PHE 43 ? ? 107.68 120.00 -12.32 1.80 N +814 1 CZ C PHE 43 ? ? CE2 C PHE 43 ? ? CD2 C PHE 43 ? ? 136.74 120.10 16.64 1.20 N +815 1 C C PHE 43 ? ? N C PRO 44 ? ? CA C PRO 44 ? ? 109.88 119.30 -9.42 1.50 Y +816 1 CA C PRO 44 ? ? N C PRO 44 ? ? CD C PRO 44 ? ? 124.30 111.70 12.60 1.40 N +817 1 N C PRO 44 ? ? CA C PRO 44 ? ? CB C PRO 44 ? ? 90.38 103.30 -12.92 1.20 N +818 1 N C PRO 44 ? ? CD C PRO 44 ? ? CG C PRO 44 ? ? 92.24 103.20 -10.96 1.50 N +819 1 CA C HIS 45 ? ? CB C HIS 45 ? ? CG C HIS 45 ? ? 131.99 113.60 18.39 1.70 N +820 1 CB C HIS 45 ? ? CG C HIS 45 ? ? ND1 C HIS 45 ? ? 106.33 121.40 -15.07 1.30 N +821 1 CG C HIS 45 ? ? ND1 C HIS 45 ? ? CE1 C HIS 45 ? ? 86.09 105.70 -19.61 1.30 N +822 1 ND1 C HIS 45 ? ? CE1 C HIS 45 ? ? NE2 C HIS 45 ? ? 134.60 111.50 23.10 1.30 N +823 1 O C HIS 45 ? ? C C HIS 45 ? ? N C PHE 46 ? ? 137.30 122.70 14.60 1.60 Y +824 1 CB C PHE 46 ? ? CG C PHE 46 ? ? CD2 C PHE 46 ? ? 138.39 120.80 17.59 0.70 N +825 1 CD1 C PHE 46 ? ? CG C PHE 46 ? ? CD2 C PHE 46 ? ? 100.92 118.30 -17.38 1.30 N +826 1 CD1 C PHE 46 ? ? CE1 C PHE 46 ? ? CZ C PHE 46 ? ? 130.30 120.10 10.20 1.20 N +827 1 CE1 C PHE 46 ? ? CZ C PHE 46 ? ? CE2 C PHE 46 ? ? 90.65 120.00 -29.35 1.80 N +828 1 CZ C PHE 46 ? ? CE2 C PHE 46 ? ? CD2 C PHE 46 ? ? 147.54 120.10 27.44 1.20 N +829 1 O C PHE 46 ? ? C C PHE 46 ? ? N C ASP 47 ? ? 102.07 122.70 -20.63 1.60 Y +830 1 N C ASP 47 ? ? CA C ASP 47 ? ? CB C ASP 47 ? ? 97.88 110.60 -12.72 1.80 N +831 1 CA C ASP 47 ? ? CB C ASP 47 ? ? CG C ASP 47 ? ? 99.42 113.40 -13.98 2.20 N +832 1 CB C ASP 47 ? ? CG C ASP 47 ? ? OD1 C ASP 47 ? ? 101.99 118.30 -16.31 0.90 N +833 1 CB C ASP 47 ? ? CG C ASP 47 ? ? OD2 C ASP 47 ? ? 100.82 118.30 -17.48 0.90 N +834 1 CA C ASP 47 ? ? C C ASP 47 ? ? N C LEU 48 ? ? 103.45 117.20 -13.75 2.20 Y +835 1 CB C LEU 48 ? ? CG C LEU 48 ? ? CD1 C LEU 48 ? ? 131.36 111.00 20.36 1.70 N +836 1 O C LEU 48 ? ? C C LEU 48 ? ? N C SER 49 ? ? 100.97 122.70 -21.73 1.60 Y +837 1 C C LEU 48 ? ? N C SER 49 ? ? CA C SER 49 ? ? 144.92 121.70 23.22 2.50 Y +838 1 CB C SER 49 ? ? CA C SER 49 ? ? C C SER 49 ? ? 131.29 110.10 21.19 1.90 N +839 1 N C SER 49 ? ? CA C SER 49 ? ? CB C SER 49 ? ? 122.41 110.50 11.91 1.50 N +840 1 N C SER 49 ? ? CA C SER 49 ? ? C C SER 49 ? ? 91.91 111.00 -19.09 2.70 N +841 1 CA C SER 49 ? ? C C SER 49 ? ? O C SER 49 ? ? 140.28 120.10 20.18 2.10 N +842 1 O C SER 49 ? ? C C SER 49 ? ? N C HIS 50 ? ? 110.63 122.70 -12.07 1.60 Y +843 1 CA C HIS 50 ? ? CB C HIS 50 ? ? CG C HIS 50 ? ? 103.09 113.60 -10.51 1.70 N +844 1 CB C HIS 50 ? ? CG C HIS 50 ? ? CD2 C HIS 50 ? ? 156.98 131.40 25.58 1.20 N +845 1 ND1 C HIS 50 ? ? CG C HIS 50 ? ? CD2 C HIS 50 ? ? 94.41 106.00 -11.59 1.40 N +846 1 CB C HIS 50 ? ? CG C HIS 50 ? ? ND1 C HIS 50 ? ? 108.47 121.40 -12.93 1.30 N +847 1 ND1 C HIS 50 ? ? CE1 C HIS 50 ? ? NE2 C HIS 50 ? ? 121.52 111.50 10.02 1.30 N +848 1 CE1 C HIS 50 ? ? NE2 C HIS 50 ? ? CD2 C HIS 50 ? ? 86.32 106.60 -20.28 2.50 N +849 1 CG C HIS 50 ? ? CD2 C HIS 50 ? ? NE2 C HIS 50 ? ? 133.13 109.20 23.93 1.90 N +850 1 CA C HIS 50 ? ? C C HIS 50 ? ? O C HIS 50 ? ? 106.90 120.10 -13.20 2.10 N +851 1 O C HIS 50 ? ? C C HIS 50 ? ? N C GLY 51 ? ? 138.12 123.20 14.92 1.70 Y +852 1 CA C GLY 51 ? ? C C GLY 51 ? ? O C GLY 51 ? ? 133.98 120.60 13.38 1.80 N +853 1 CA C SER 52 ? ? C C SER 52 ? ? N C ALA 53 ? ? 132.30 117.20 15.10 2.20 Y +854 1 O C SER 52 ? ? C C SER 52 ? ? N C ALA 53 ? ? 103.09 122.70 -19.61 1.60 Y +855 1 CB C ALA 53 ? ? CA C ALA 53 ? ? C C ALA 53 ? ? 127.99 110.10 17.89 1.50 N +856 1 CA C ALA 53 ? ? C C ALA 53 ? ? N C GLN 54 ? ? 97.92 117.20 -19.28 2.20 Y +857 1 O C ALA 53 ? ? C C ALA 53 ? ? N C GLN 54 ? ? 141.13 122.70 18.43 1.60 Y +858 1 CA C GLN 54 ? ? C C GLN 54 ? ? N C VAL 55 ? ? 103.56 117.20 -13.64 2.20 Y +859 1 O C GLN 54 ? ? C C GLN 54 ? ? N C VAL 55 ? ? 135.71 122.70 13.01 1.60 Y +860 1 CA C VAL 55 ? ? CB C VAL 55 ? ? CG1 C VAL 55 ? ? 100.86 110.90 -10.04 1.50 N +861 1 CB C LYS 56 ? ? CG C LYS 56 ? ? CD C LYS 56 ? ? 86.59 111.60 -25.01 2.60 N +862 1 CG C LYS 56 ? ? CD C LYS 56 ? ? CE C LYS 56 ? ? 66.36 111.90 -45.54 3.00 N +863 1 CD C LYS 56 ? ? CE C LYS 56 ? ? NZ C LYS 56 ? ? 74.85 111.70 -36.85 2.30 N +864 1 CA C LYS 56 ? ? C C LYS 56 ? ? O C LYS 56 ? ? 135.57 120.10 15.47 2.10 N +865 1 O C LYS 56 ? ? C C LYS 56 ? ? N C GLY 57 ? ? 105.68 123.20 -17.52 1.70 Y +866 1 CG C HIS 58 ? ? ND1 C HIS 58 ? ? CE1 C HIS 58 ? ? 93.11 105.70 -12.59 1.30 N +867 1 ND1 C HIS 58 ? ? CE1 C HIS 58 ? ? NE2 C HIS 58 ? ? 121.88 111.50 10.38 1.30 N +868 1 CE1 C HIS 58 ? ? NE2 C HIS 58 ? ? CD2 C HIS 58 ? ? 90.60 106.60 -16.00 2.50 N +869 1 CG C HIS 58 ? ? CD2 C HIS 58 ? ? NE2 C HIS 58 ? ? 121.04 109.20 11.84 1.90 N +870 1 O C HIS 58 ? ? C C HIS 58 ? ? N C GLY 59 ? ? 134.61 123.20 11.41 1.70 Y +871 1 CA C LYS 60 ? ? CB C LYS 60 ? ? CG C LYS 60 ? ? 97.59 113.40 -15.81 2.20 N +872 1 CD C LYS 60 ? ? CE C LYS 60 ? ? NZ C LYS 60 ? ? 89.51 111.70 -22.19 2.30 N +873 1 CD C LYS 61 ? ? CE C LYS 61 ? ? NZ C LYS 61 ? ? 74.17 111.70 -37.53 2.30 N +874 1 O C LYS 61 ? ? C C LYS 61 ? ? N C VAL 62 ? ? 132.93 122.70 10.23 1.60 Y +875 1 CA C VAL 62 ? ? C C VAL 62 ? ? N C ALA 63 ? ? 98.55 117.20 -18.65 2.20 Y +876 1 CA C ALA 63 ? ? C C ALA 63 ? ? O C ALA 63 ? ? 136.06 120.10 15.96 2.10 N +877 1 O C ALA 63 ? ? C C ALA 63 ? ? N C ASP 64 ? ? 105.53 122.70 -17.17 1.60 Y +878 1 CA C ASP 64 ? ? CB C ASP 64 ? ? CG C ASP 64 ? ? 127.89 113.40 14.49 2.20 N +879 1 OD1 C ASP 64 ? ? CG C ASP 64 ? ? OD2 C ASP 64 ? ? 141.55 123.30 18.25 1.90 N +880 1 CB C ASP 64 ? ? CG C ASP 64 ? ? OD1 C ASP 64 ? ? 106.89 118.30 -11.41 0.90 N +881 1 CB C ASP 64 ? ? CG C ASP 64 ? ? OD2 C ASP 64 ? ? 103.45 118.30 -14.85 0.90 N +882 1 CB C ALA 65 ? ? CA C ALA 65 ? ? C C ALA 65 ? ? 100.70 110.10 -9.40 1.50 N +883 1 CA C THR 67 ? ? CB C THR 67 ? ? CG2 C THR 67 ? ? 101.89 112.40 -10.51 1.40 N +884 1 CB C ALA 69 ? ? CA C ALA 69 ? ? C C ALA 69 ? ? 119.47 110.10 9.37 1.50 N +885 1 O C ALA 69 ? ? C C ALA 69 ? ? N C VAL 70 ? ? 136.13 122.70 13.43 1.60 Y +886 1 CA C VAL 70 ? ? C C VAL 70 ? ? O C VAL 70 ? ? 99.96 120.10 -20.14 2.10 N +887 1 O C VAL 70 ? ? C C VAL 70 ? ? N C ALA 71 ? ? 142.96 122.70 20.26 1.60 Y +888 1 CB C ALA 71 ? ? CA C ALA 71 ? ? C C ALA 71 ? ? 133.35 110.10 23.25 1.50 N +889 1 O C ALA 71 ? ? C C ALA 71 ? ? N C HIS 72 ? ? 99.80 122.70 -22.90 1.60 Y +890 1 C C ALA 71 ? ? N C HIS 72 ? ? CA C HIS 72 ? ? 146.12 121.70 24.42 2.50 Y +891 1 CB C HIS 72 ? ? CG C HIS 72 ? ? CD2 C HIS 72 ? ? 145.80 131.40 14.40 1.20 N +892 1 ND1 C HIS 72 ? ? CG C HIS 72 ? ? CD2 C HIS 72 ? ? 85.54 106.00 -20.46 1.40 N +893 1 ND1 C HIS 72 ? ? CE1 C HIS 72 ? ? NE2 C HIS 72 ? ? 134.89 111.50 23.39 1.30 N +894 1 CE1 C HIS 72 ? ? NE2 C HIS 72 ? ? CD2 C HIS 72 ? ? 91.46 106.60 -15.14 2.50 N +895 1 N C HIS 72 ? ? CA C HIS 72 ? ? C C HIS 72 ? ? 139.60 111.00 28.60 2.70 N +896 1 CA C HIS 72 ? ? C C HIS 72 ? ? O C HIS 72 ? ? 135.94 120.10 15.84 2.10 N +897 1 O C HIS 72 ? ? C C HIS 72 ? ? N C VAL 73 ? ? 108.06 122.70 -14.64 1.60 Y +898 1 CG1 C VAL 73 ? ? CB C VAL 73 ? ? CG2 C VAL 73 ? ? 145.55 110.90 34.65 1.60 N +899 1 CA C VAL 73 ? ? CB C VAL 73 ? ? CG1 C VAL 73 ? ? 88.89 110.90 -22.01 1.50 N +900 1 O C VAL 73 ? ? C C VAL 73 ? ? N C ASP 74 ? ? 139.62 122.70 16.92 1.60 Y +901 1 N C ASP 74 ? ? CA C ASP 74 ? ? CB C ASP 74 ? ? 99.47 110.60 -11.13 1.80 N +902 1 CA C ASP 74 ? ? CB C ASP 74 ? ? CG C ASP 74 ? ? 131.12 113.40 17.72 2.20 N +903 1 OD1 C ASP 74 ? ? CG C ASP 74 ? ? OD2 C ASP 74 ? ? 89.55 123.30 -33.75 1.90 N +904 1 CB C ASP 74 ? ? CG C ASP 74 ? ? OD1 C ASP 74 ? ? 125.02 118.30 6.72 0.90 N +905 1 CB C ASP 74 ? ? CG C ASP 74 ? ? OD2 C ASP 74 ? ? 141.74 118.30 23.44 0.90 N +906 1 CA C ASP 74 ? ? C C ASP 74 ? ? N C ASP 75 ? ? 101.29 117.20 -15.91 2.20 Y +907 1 O C ASP 74 ? ? C C ASP 74 ? ? N C ASP 75 ? ? 136.59 122.70 13.89 1.60 Y +908 1 OD1 C ASP 75 ? ? CG C ASP 75 ? ? OD2 C ASP 75 ? ? 152.64 123.30 29.34 1.90 N +909 1 CB C ASP 75 ? ? CG C ASP 75 ? ? OD1 C ASP 75 ? ? 111.54 118.30 -6.76 0.90 N +910 1 CB C ASP 75 ? ? CG C ASP 75 ? ? OD2 C ASP 75 ? ? 89.17 118.30 -29.13 0.90 N +911 1 N C MET 76 ? ? CA C MET 76 ? ? CB C MET 76 ? ? 98.25 110.60 -12.35 1.80 N +912 1 C C MET 76 ? ? N C PRO 77 ? ? CA C PRO 77 ? ? 109.75 119.30 -9.55 1.50 Y +913 1 N C PRO 77 ? ? CA C PRO 77 ? ? C C PRO 77 ? ? 135.04 112.10 22.94 2.60 N +914 1 CA C PRO 77 ? ? C C PRO 77 ? ? O C PRO 77 ? ? 134.83 120.20 14.63 2.40 N +915 1 O C PRO 77 ? ? C C PRO 77 ? ? N C ASN 78 ? ? 108.51 122.70 -14.19 1.60 Y +916 1 N C ASN 78 ? ? CA C ASN 78 ? ? C C ASN 78 ? ? 130.00 111.00 19.00 2.70 N +917 1 CA C ASN 78 ? ? C C ASN 78 ? ? O C ASN 78 ? ? 149.00 120.10 28.90 2.10 N +918 1 O C ASN 78 ? ? C C ASN 78 ? ? N C ALA 79 ? ? 105.51 122.70 -17.19 1.60 Y +919 1 CB C ALA 79 ? ? CA C ALA 79 ? ? C C ALA 79 ? ? 95.24 110.10 -14.86 1.50 N +920 1 CB C LEU 80 ? ? CG C LEU 80 ? ? CD2 C LEU 80 ? ? 100.20 111.00 -10.80 1.70 N +921 1 N C SER 81 ? ? CA C SER 81 ? ? CB C SER 81 ? ? 93.84 110.50 -16.66 1.50 N +922 1 CA C SER 81 ? ? CB C SER 81 ? ? OG C SER 81 ? ? 88.78 111.20 -22.42 2.70 N +923 1 CA C ALA 82 ? ? C C ALA 82 ? ? O C ALA 82 ? ? 138.54 120.10 18.44 2.10 N +924 1 CB C LEU 83 ? ? CA C LEU 83 ? ? C C LEU 83 ? ? 94.59 110.20 -15.61 1.90 N +925 1 N C LEU 83 ? ? CA C LEU 83 ? ? CB C LEU 83 ? ? 97.00 110.40 -13.40 2.00 N +926 1 CB C SER 84 ? ? CA C SER 84 ? ? C C SER 84 ? ? 93.58 110.10 -16.52 1.90 N +927 1 N C SER 84 ? ? CA C SER 84 ? ? CB C SER 84 ? ? 129.28 110.50 18.78 1.50 N +928 1 CA C SER 84 ? ? CB C SER 84 ? ? OG C SER 84 ? ? 83.72 111.20 -27.48 2.70 N +929 1 CB C ASP 85 ? ? CG C ASP 85 ? ? OD1 C ASP 85 ? ? 132.20 118.30 13.90 0.90 N +930 1 CB C ASP 85 ? ? CG C ASP 85 ? ? OD2 C ASP 85 ? ? 106.71 118.30 -11.59 0.90 N +931 1 CA C LEU 86 ? ? C C LEU 86 ? ? O C LEU 86 ? ? 139.12 120.10 19.02 2.10 N +932 1 CA C LEU 86 ? ? C C LEU 86 ? ? N C HIS 87 ? ? 101.78 117.20 -15.42 2.20 Y +933 1 CE1 C HIS 87 ? ? NE2 C HIS 87 ? ? CD2 C HIS 87 ? ? 117.38 109.00 8.38 0.70 N +934 1 O C HIS 87 ? ? C C HIS 87 ? ? N C ALA 88 ? ? 136.97 122.70 14.27 1.60 Y +935 1 CB C HIS 89 ? ? CG C HIS 89 ? ? CD2 C HIS 89 ? ? 113.85 129.70 -15.85 1.60 N +936 1 CG C HIS 89 ? ? ND1 C HIS 89 ? ? CE1 C HIS 89 ? ? 90.55 105.70 -15.15 1.30 N +937 1 ND1 C HIS 89 ? ? CE1 C HIS 89 ? ? NE2 C HIS 89 ? ? 133.90 111.50 22.40 1.30 N +938 1 N C LYS 90 ? ? CA C LYS 90 ? ? CB C LYS 90 ? ? 128.00 110.60 17.40 1.80 N +939 1 CB C LYS 90 ? ? CG C LYS 90 ? ? CD C LYS 90 ? ? 86.42 111.60 -25.18 2.60 N +940 1 CG C LYS 90 ? ? CD C LYS 90 ? ? CE C LYS 90 ? ? 87.59 111.90 -24.31 3.00 N +941 1 CD C LYS 90 ? ? CE C LYS 90 ? ? NZ C LYS 90 ? ? 86.07 111.70 -25.63 2.30 N +942 1 N C LEU 91 ? ? CA C LEU 91 ? ? CB C LEU 91 ? ? 97.68 110.40 -12.72 2.00 N +943 1 CD C ARG 92 ? ? NE C ARG 92 ? ? CZ C ARG 92 ? ? 75.38 123.60 -48.22 1.40 N +944 1 NE C ARG 92 ? ? CZ C ARG 92 ? ? NH1 C ARG 92 ? ? 92.19 120.30 -28.11 0.50 N +945 1 NE C ARG 92 ? ? CZ C ARG 92 ? ? NH2 C ARG 92 ? ? 37.43 120.30 -82.87 0.50 N +946 1 CB C ASP 94 ? ? CG C ASP 94 ? ? OD1 C ASP 94 ? ? 124.68 118.30 6.38 0.90 N +947 1 CB C ASP 94 ? ? CG C ASP 94 ? ? OD2 C ASP 94 ? ? 109.91 118.30 -8.39 0.90 N +948 1 CA C PRO 95 ? ? C C PRO 95 ? ? N C VAL 96 ? ? 135.44 117.20 18.24 2.20 Y +949 1 O C PRO 95 ? ? C C PRO 95 ? ? N C VAL 96 ? ? 110.78 122.70 -11.92 1.60 Y +950 1 CA C VAL 96 ? ? CB C VAL 96 ? ? CG1 C VAL 96 ? ? 101.27 110.90 -9.63 1.50 N +951 1 CA C VAL 96 ? ? CB C VAL 96 ? ? CG2 C VAL 96 ? ? 125.02 110.90 14.12 1.50 N +952 1 CB C PHE 98 ? ? CG C PHE 98 ? ? CD1 C PHE 98 ? ? 116.36 120.80 -4.44 0.70 N +953 1 CG C PHE 98 ? ? CD2 C PHE 98 ? ? CE2 C PHE 98 ? ? 107.96 120.80 -12.84 1.10 N +954 1 CE1 C PHE 98 ? ? CZ C PHE 98 ? ? CE2 C PHE 98 ? ? 105.78 120.00 -14.22 1.80 N +955 1 CZ C PHE 98 ? ? CE2 C PHE 98 ? ? CD2 C PHE 98 ? ? 137.66 120.10 17.56 1.20 N +956 1 CA C LYS 99 ? ? CB C LYS 99 ? ? CG C LYS 99 ? ? 128.62 113.40 15.22 2.20 N +957 1 CB C LYS 99 ? ? CG C LYS 99 ? ? CD C LYS 99 ? ? 129.76 111.60 18.16 2.60 N +958 1 CG C LYS 99 ? ? CD C LYS 99 ? ? CE C LYS 99 ? ? 89.26 111.90 -22.64 3.00 N +959 1 CA C LYS 99 ? ? C C LYS 99 ? ? N C LEU 100 ? ? 101.01 117.20 -16.19 2.20 Y +960 1 CB C LEU 100 ? ? CA C LEU 100 ? ? C C LEU 100 ? ? 121.89 110.20 11.69 1.90 N +961 1 CG C HIS 103 ? ? ND1 C HIS 103 ? ? CE1 C HIS 103 ? ? 93.55 105.70 -12.15 1.30 N +962 1 ND1 C HIS 103 ? ? CE1 C HIS 103 ? ? NE2 C HIS 103 ? ? 123.21 111.50 11.71 1.30 N +963 1 O C HIS 103 ? ? C C HIS 103 ? ? N C CYS 104 ? ? 112.60 122.70 -10.10 1.60 Y +964 1 CD1 C LEU 105 ? ? CG C LEU 105 ? ? CD2 C LEU 105 ? ? 82.32 110.50 -28.18 3.00 N +965 1 CB C LEU 105 ? ? CG C LEU 105 ? ? CD2 C LEU 105 ? ? 90.12 111.00 -20.88 1.70 N +966 1 C C LEU 106 ? ? N C VAL 107 ? ? CA C VAL 107 ? ? 140.49 121.70 18.79 2.50 Y +967 1 N C VAL 107 ? ? CA C VAL 107 ? ? CB C VAL 107 ? ? 125.61 111.50 14.11 2.20 N +968 1 CA C VAL 107 ? ? C C VAL 107 ? ? O C VAL 107 ? ? 134.58 120.10 14.48 2.10 N +969 1 O C VAL 107 ? ? C C VAL 107 ? ? N C THR 108 ? ? 110.92 122.70 -11.78 1.60 Y +970 1 CB C LEU 109 ? ? CA C LEU 109 ? ? C C LEU 109 ? ? 128.23 110.20 18.03 1.90 N +971 1 CD1 C LEU 109 ? ? CG C LEU 109 ? ? CD2 C LEU 109 ? ? 129.40 110.50 18.90 3.00 N +972 1 CB C ALA 110 ? ? CA C ALA 110 ? ? C C ALA 110 ? ? 121.33 110.10 11.23 1.50 N +973 1 O C ALA 110 ? ? C C ALA 110 ? ? N C ALA 111 ? ? 110.16 122.70 -12.54 1.60 Y +974 1 CA C HIS 112 ? ? CB C HIS 112 ? ? CG C HIS 112 ? ? 102.81 113.60 -10.79 1.70 N +975 1 CB C HIS 112 ? ? CG C HIS 112 ? ? CD2 C HIS 112 ? ? 144.61 131.40 13.21 1.20 N +976 1 ND1 C HIS 112 ? ? CG C HIS 112 ? ? CD2 C HIS 112 ? ? 89.66 106.00 -16.34 1.40 N +977 1 CG C HIS 112 ? ? CD2 C HIS 112 ? ? NE2 C HIS 112 ? ? 122.43 109.20 13.23 1.90 N +978 1 CA C HIS 112 ? ? C C HIS 112 ? ? N C LEU 113 ? ? 136.42 117.20 19.22 2.20 Y +979 1 O C HIS 112 ? ? C C HIS 112 ? ? N C LEU 113 ? ? 107.95 122.70 -14.75 1.60 Y +980 1 C C HIS 112 ? ? N C LEU 113 ? ? CA C LEU 113 ? ? 144.26 121.70 22.56 2.50 Y +981 1 CB C LEU 113 ? ? CG C LEU 113 ? ? CD1 C LEU 113 ? ? 89.44 111.00 -21.56 1.70 N +982 1 CB C LEU 113 ? ? CG C LEU 113 ? ? CD2 C LEU 113 ? ? 131.66 111.00 20.66 1.70 N +983 1 CA C LEU 113 ? ? C C LEU 113 ? ? O C LEU 113 ? ? 98.07 120.10 -22.03 2.10 N +984 1 C C LEU 113 ? ? N C PRO 114 ? ? CA C PRO 114 ? ? 134.97 119.30 15.67 1.50 Y +985 1 CB C PRO 114 ? ? CA C PRO 114 ? ? C C PRO 114 ? ? 140.45 111.70 28.75 2.10 N +986 1 N C PRO 114 ? ? CD C PRO 114 ? ? CG C PRO 114 ? ? 90.46 103.20 -12.74 1.50 N +987 1 N C PRO 114 ? ? CA C PRO 114 ? ? C C PRO 114 ? ? 91.63 112.10 -20.47 2.60 N +988 1 O C PRO 114 ? ? C C PRO 114 ? ? N C ALA 115 ? ? 103.75 122.70 -18.95 1.60 Y +989 1 N C ALA 115 ? ? CA C ALA 115 ? ? CB C ALA 115 ? ? 120.96 110.10 10.86 1.40 N +990 1 O C ALA 115 ? ? C C ALA 115 ? ? N C GLU 116 ? ? 105.22 122.70 -17.48 1.60 Y +991 1 CB C GLU 116 ? ? CA C GLU 116 ? ? C C GLU 116 ? ? 89.56 110.40 -20.84 2.00 N +992 1 CB C GLU 116 ? ? CG C GLU 116 ? ? CD C GLU 116 ? ? 81.86 114.20 -32.34 2.70 N +993 1 CG C GLU 116 ? ? CD C GLU 116 ? ? OE1 C GLU 116 ? ? 142.07 118.30 23.77 2.00 N +994 1 CG C GLU 116 ? ? CD C GLU 116 ? ? OE2 C GLU 116 ? ? 82.79 118.30 -35.51 2.00 N +995 1 CB C PHE 117 ? ? CG C PHE 117 ? ? CD2 C PHE 117 ? ? 127.07 120.80 6.27 0.70 N +996 1 CG C PHE 117 ? ? CD2 C PHE 117 ? ? CE2 C PHE 117 ? ? 129.80 120.80 9.00 1.10 N +997 1 CE1 C PHE 117 ? ? CZ C PHE 117 ? ? CE2 C PHE 117 ? ? 132.90 120.00 12.90 1.80 N +998 1 CZ C PHE 117 ? ? CE2 C PHE 117 ? ? CD2 C PHE 117 ? ? 110.45 120.10 -9.65 1.20 N +999 1 N C THR 118 ? ? CA C THR 118 ? ? CB C THR 118 ? ? 96.88 110.30 -13.42 1.90 N +1000 1 CA C THR 118 ? ? CB C THR 118 ? ? CG2 C THR 118 ? ? 128.13 112.40 15.73 1.40 N +1001 1 O C THR 118 ? ? C C THR 118 ? ? N C PRO 119 ? ? 133.03 121.10 11.93 1.90 Y +1002 1 CB C HIS 122 ? ? CA C HIS 122 ? ? C C HIS 122 ? ? 122.69 110.40 12.29 2.00 N +1003 1 O C SER 124 ? ? C C SER 124 ? ? N C LEU 125 ? ? 136.19 122.70 13.49 1.60 Y +1004 1 CB C ASP 126 ? ? CG C ASP 126 ? ? OD1 C ASP 126 ? ? 107.11 118.30 -11.19 0.90 N +1005 1 CB C PHE 128 ? ? CG C PHE 128 ? ? CD2 C PHE 128 ? ? 106.66 120.80 -14.14 0.70 N +1006 1 CD1 C PHE 128 ? ? CG C PHE 128 ? ? CD2 C PHE 128 ? ? 142.71 118.30 24.41 1.30 N +1007 1 CB C PHE 128 ? ? CG C PHE 128 ? ? CD1 C PHE 128 ? ? 110.55 120.80 -10.25 0.70 N +1008 1 CG C PHE 128 ? ? CD1 C PHE 128 ? ? CE1 C PHE 128 ? ? 100.79 120.80 -20.01 1.10 N +1009 1 CG C PHE 128 ? ? CD2 C PHE 128 ? ? CE2 C PHE 128 ? ? 103.15 120.80 -17.65 1.10 N +1010 1 CD1 C PHE 128 ? ? CE1 C PHE 128 ? ? CZ C PHE 128 ? ? 130.66 120.10 10.56 1.20 N +1011 1 O C PHE 128 ? ? C C PHE 128 ? ? N C LEU 129 ? ? 133.62 122.70 10.92 1.60 Y +1012 1 O C LEU 129 ? ? C C LEU 129 ? ? N C ALA 130 ? ? 111.51 122.70 -11.19 1.60 Y +1013 1 N C ALA 130 ? ? CA C ALA 130 ? ? CB C ALA 130 ? ? 119.39 110.10 9.29 1.40 N +1014 1 CB C SER 131 ? ? CA C SER 131 ? ? C C SER 131 ? ? 97.25 110.10 -12.85 1.90 N +1015 1 CA C SER 131 ? ? C C SER 131 ? ? O C SER 131 ? ? 100.97 120.10 -19.13 2.10 N +1016 1 O C SER 131 ? ? C C SER 131 ? ? N C VAL 132 ? ? 138.73 122.70 16.03 1.60 Y +1017 1 N C SER 133 ? ? CA C SER 133 ? ? CB C SER 133 ? ? 120.04 110.50 9.54 1.50 N +1018 1 OG1 C THR 137 ? ? CB C THR 137 ? ? CG2 C THR 137 ? ? 129.84 110.00 19.84 2.30 N +1019 1 CA C THR 137 ? ? CB C THR 137 ? ? CG2 C THR 137 ? ? 101.94 112.40 -10.46 1.40 N +1020 1 CB C SER 138 ? ? CA C SER 138 ? ? C C SER 138 ? ? 98.61 110.10 -11.49 1.90 N +1021 1 N C SER 138 ? ? CA C SER 138 ? ? CB C SER 138 ? ? 96.22 110.50 -14.28 1.50 N +1022 1 CA C SER 138 ? ? CB C SER 138 ? ? OG C SER 138 ? ? 53.75 111.20 -57.45 2.70 N +1023 1 CA C SER 138 ? ? C C SER 138 ? ? O C SER 138 ? ? 103.08 120.10 -17.02 2.10 N +1024 1 O C SER 138 ? ? C C SER 138 ? ? N C LYS 139 ? ? 137.89 122.70 15.19 1.60 Y +1025 1 CA C LYS 139 ? ? CB C LYS 139 ? ? CG C LYS 139 ? ? 99.02 113.40 -14.38 2.20 N +1026 1 CD C LYS 139 ? ? CE C LYS 139 ? ? NZ C LYS 139 ? ? 73.58 111.70 -38.12 2.30 N +1027 1 CD1 C TYR 140 ? ? CG C TYR 140 ? ? CD2 C TYR 140 ? ? 110.66 117.90 -7.24 1.10 N +1028 1 CB C TYR 140 ? ? CG C TYR 140 ? ? CD1 C TYR 140 ? ? 128.75 121.00 7.75 0.60 N +1029 1 O C TYR 140 ? ? C C TYR 140 ? ? N C ARG 141 ? ? 133.11 122.70 10.41 1.60 Y +1030 1 CB C ARG 141 ? ? CG C ARG 141 ? ? CD C ARG 141 ? ? 95.55 111.60 -16.05 2.60 N +1031 1 CG C ARG 141 ? ? CD C ARG 141 ? ? NE C ARG 141 ? ? 97.56 111.80 -14.24 2.10 N +1032 1 NH1 C ARG 141 ? ? CZ C ARG 141 ? ? NH2 C ARG 141 ? ? 127.53 119.40 8.13 1.10 N +1033 1 NE C ARG 141 ? ? CZ C ARG 141 ? ? NH2 C ARG 141 ? ? 103.00 120.30 -17.30 0.50 N +1034 1 CA C ARG 141 ? ? C C ARG 141 ? ? O C ARG 141 ? ? 103.04 120.10 -17.06 2.10 N +1035 1 CB D VAL 1 ? ? CA D VAL 1 ? ? C D VAL 1 ? ? 98.02 111.40 -13.38 1.90 N +1036 1 CG1 D VAL 1 ? ? CB D VAL 1 ? ? CG2 D VAL 1 ? ? 100.34 110.90 -10.56 1.60 N +1037 1 CA D VAL 1 ? ? C D VAL 1 ? ? O D VAL 1 ? ? 100.55 120.10 -19.55 2.10 N +1038 1 CA D VAL 1 ? ? C D VAL 1 ? ? N D HIS 2 ? ? 84.06 117.20 -33.14 2.20 Y +1039 1 O D VAL 1 ? ? C D VAL 1 ? ? N D HIS 2 ? ? 146.46 122.70 23.76 1.60 Y +1040 1 C D VAL 1 ? ? N D HIS 2 ? ? CA D HIS 2 ? ? 106.40 121.70 -15.30 2.50 Y +1041 1 CB D HIS 2 ? ? CA D HIS 2 ? ? C D HIS 2 ? ? 126.69 110.40 16.29 2.00 N +1042 1 CB D HIS 2 ? ? CG D HIS 2 ? ? CD2 D HIS 2 ? ? 167.99 131.40 36.59 1.20 N +1043 1 ND1 D HIS 2 ? ? CG D HIS 2 ? ? CD2 D HIS 2 ? ? 94.29 106.00 -11.71 1.40 N +1044 1 CB D HIS 2 ? ? CG D HIS 2 ? ? ND1 D HIS 2 ? ? 94.33 121.40 -27.07 1.30 N +1045 1 ND1 D HIS 2 ? ? CE1 D HIS 2 ? ? NE2 D HIS 2 ? ? 85.03 108.50 -23.47 1.10 N +1046 1 CE1 D HIS 2 ? ? NE2 D HIS 2 ? ? CD2 D HIS 2 ? ? 145.24 109.00 36.24 0.70 N +1047 1 N D HIS 2 ? ? CA D HIS 2 ? ? C D HIS 2 ? ? 130.99 111.00 19.99 2.70 N +1048 1 CA D HIS 2 ? ? C D HIS 2 ? ? O D HIS 2 ? ? 95.47 120.10 -24.63 2.10 N +1049 1 O D HIS 2 ? ? C D HIS 2 ? ? N D LEU 3 ? ? 144.14 122.70 21.44 1.60 Y +1050 1 C D HIS 2 ? ? N D LEU 3 ? ? CA D LEU 3 ? ? 99.56 121.70 -22.14 2.50 Y +1051 1 N D LEU 3 ? ? CA D LEU 3 ? ? CB D LEU 3 ? ? 131.21 110.40 20.81 2.00 N +1052 1 CA D LEU 3 ? ? CB D LEU 3 ? ? CG D LEU 3 ? ? 92.04 115.30 -23.26 2.30 N +1053 1 CD1 D LEU 3 ? ? CG D LEU 3 ? ? CD2 D LEU 3 ? ? 87.52 110.50 -22.98 3.00 N +1054 1 CB D LEU 3 ? ? CG D LEU 3 ? ? CD1 D LEU 3 ? ? 98.99 111.00 -12.01 1.70 N +1055 1 N D LEU 3 ? ? CA D LEU 3 ? ? C D LEU 3 ? ? 82.71 111.00 -28.29 2.70 N +1056 1 CA D LEU 3 ? ? C D LEU 3 ? ? O D LEU 3 ? ? 98.05 120.10 -22.05 2.10 N +1057 1 O D LEU 3 ? ? C D LEU 3 ? ? N D THR 4 ? ? 76.00 122.70 -46.70 1.60 Y +1058 1 C D LEU 3 ? ? N D THR 4 ? ? CA D THR 4 ? ? 143.80 121.70 22.10 2.50 Y +1059 1 OG1 D THR 4 ? ? CB D THR 4 ? ? CG2 D THR 4 ? ? 125.56 110.00 15.56 2.30 N +1060 1 CA D THR 4 ? ? C D THR 4 ? ? O D THR 4 ? ? 95.46 120.10 -24.64 2.10 N +1061 1 CA D THR 4 ? ? C D THR 4 ? ? N D PRO 5 ? ? 134.66 117.10 17.56 2.80 Y +1062 1 C D THR 4 ? ? N D PRO 5 ? ? CA D PRO 5 ? ? 103.81 119.30 -15.49 1.50 Y +1063 1 CB D PRO 5 ? ? CA D PRO 5 ? ? C D PRO 5 ? ? 86.78 111.70 -24.92 2.10 N +1064 1 N D PRO 5 ? ? CA D PRO 5 ? ? CB D PRO 5 ? ? 76.49 103.30 -26.81 1.20 N +1065 1 O D PRO 5 ? ? C D PRO 5 ? ? N D GLU 6 ? ? 111.05 122.70 -11.65 1.60 Y +1066 1 CB D GLU 6 ? ? CA D GLU 6 ? ? C D GLU 6 ? ? 87.32 110.40 -23.08 2.00 N +1067 1 N D GLU 6 ? ? CA D GLU 6 ? ? CB D GLU 6 ? ? 124.93 110.60 14.33 1.80 N +1068 1 OE1 D GLU 6 ? ? CD D GLU 6 ? ? OE2 D GLU 6 ? ? 43.74 123.30 -79.56 1.20 N +1069 1 CG D GLU 6 ? ? CD D GLU 6 ? ? OE2 D GLU 6 ? ? 87.51 118.30 -30.79 2.00 N +1070 1 N D GLU 6 ? ? CA D GLU 6 ? ? C D GLU 6 ? ? 94.16 111.00 -16.84 2.70 N +1071 1 CA D GLU 6 ? ? C D GLU 6 ? ? O D GLU 6 ? ? 99.25 120.10 -20.85 2.10 N +1072 1 CA D GLU 6 ? ? C D GLU 6 ? ? N D GLU 7 ? ? 99.10 117.20 -18.10 2.20 Y +1073 1 O D GLU 6 ? ? C D GLU 6 ? ? N D GLU 7 ? ? 158.66 122.70 35.96 1.60 Y +1074 1 C D GLU 6 ? ? N D GLU 7 ? ? CA D GLU 7 ? ? 103.43 121.70 -18.27 2.50 Y +1075 1 CA D GLU 7 ? ? CB D GLU 7 ? ? CG D GLU 7 ? ? 100.08 113.40 -13.32 2.20 N +1076 1 CB D GLU 7 ? ? CG D GLU 7 ? ? CD D GLU 7 ? ? 97.61 114.20 -16.59 2.70 N +1077 1 OE1 D GLU 7 ? ? CD D GLU 7 ? ? OE2 D GLU 7 ? ? 113.31 123.30 -9.99 1.20 N +1078 1 CG D GLU 7 ? ? CD D GLU 7 ? ? OE1 D GLU 7 ? ? 92.96 118.30 -25.34 2.00 N +1079 1 CG D GLU 7 ? ? CD D GLU 7 ? ? OE2 D GLU 7 ? ? 143.31 118.30 25.01 2.00 N +1080 1 CA D GLU 7 ? ? C D GLU 7 ? ? O D GLU 7 ? ? 104.92 120.10 -15.18 2.10 N +1081 1 O D GLU 7 ? ? C D GLU 7 ? ? N D LYS 8 ? ? 139.67 122.70 16.97 1.60 Y +1082 1 N D LYS 8 ? ? CA D LYS 8 ? ? CB D LYS 8 ? ? 92.44 110.60 -18.16 1.80 N +1083 1 CA D LYS 8 ? ? CB D LYS 8 ? ? CG D LYS 8 ? ? 77.90 113.40 -35.50 2.20 N +1084 1 CA D LYS 8 ? ? C D LYS 8 ? ? O D LYS 8 ? ? 133.86 120.10 13.76 2.10 N +1085 1 O D LYS 8 ? ? C D LYS 8 ? ? N D SER 9 ? ? 101.25 122.70 -21.45 1.60 Y +1086 1 CA D SER 9 ? ? CB D SER 9 ? ? OG D SER 9 ? ? 133.20 111.20 22.00 2.70 N +1087 1 O D SER 9 ? ? C D SER 9 ? ? N D ALA 10 ? ? 139.76 122.70 17.06 1.60 Y +1088 1 C D SER 9 ? ? N D ALA 10 ? ? CA D ALA 10 ? ? 102.20 121.70 -19.50 2.50 Y +1089 1 CB D ALA 10 ? ? CA D ALA 10 ? ? C D ALA 10 ? ? 90.12 110.10 -19.98 1.50 N +1090 1 N D ALA 10 ? ? CA D ALA 10 ? ? CB D ALA 10 ? ? 97.36 110.10 -12.74 1.40 N +1091 1 O D VAL 11 ? ? C D VAL 11 ? ? N D THR 12 ? ? 138.50 122.70 15.80 1.60 Y +1092 1 N D THR 12 ? ? CA D THR 12 ? ? CB D THR 12 ? ? 98.76 110.30 -11.54 1.90 N +1093 1 CA D THR 12 ? ? CB D THR 12 ? ? OG1 D THR 12 ? ? 87.15 109.00 -21.85 2.10 N +1094 1 CA D THR 12 ? ? CB D THR 12 ? ? CG2 D THR 12 ? ? 90.35 112.40 -22.05 1.40 N +1095 1 O D THR 12 ? ? C D THR 12 ? ? N D ALA 13 ? ? 105.18 122.70 -17.52 1.60 Y +1096 1 N D ALA 13 ? ? CA D ALA 13 ? ? CB D ALA 13 ? ? 132.46 110.10 22.36 1.40 N +1097 1 CA D ALA 13 ? ? C D ALA 13 ? ? O D ALA 13 ? ? 134.81 120.10 14.71 2.10 N +1098 1 CA D ALA 13 ? ? C D ALA 13 ? ? N D LEU 14 ? ? 102.72 117.20 -14.48 2.20 Y +1099 1 CB D LEU 14 ? ? CG D LEU 14 ? ? CD1 D LEU 14 ? ? 94.01 111.00 -16.99 1.70 N +1100 1 O D LEU 14 ? ? C D LEU 14 ? ? N D TRP 15 ? ? 133.64 122.70 10.94 1.60 Y +1101 1 NE1 D TRP 15 ? ? CE2 D TRP 15 ? ? CZ2 D TRP 15 ? ? 139.03 130.40 8.63 1.10 N +1102 1 NE1 D TRP 15 ? ? CE2 D TRP 15 ? ? CD2 D TRP 15 ? ? 101.18 107.30 -6.12 1.00 N +1103 1 CZ3 D TRP 15 ? ? CH2 D TRP 15 ? ? CZ2 D TRP 15 ? ? 129.34 121.60 7.74 1.20 N +1104 1 CA D GLY 16 ? ? C D GLY 16 ? ? N D LYS 17 ? ? 136.28 117.20 19.08 2.20 Y +1105 1 O D GLY 16 ? ? C D GLY 16 ? ? N D LYS 17 ? ? 109.80 122.70 -12.90 1.60 Y +1106 1 C D GLY 16 ? ? N D LYS 17 ? ? CA D LYS 17 ? ? 144.90 121.70 23.20 2.50 Y +1107 1 N D LYS 17 ? ? CA D LYS 17 ? ? CB D LYS 17 ? ? 121.44 110.60 10.84 1.80 N +1108 1 CB D LYS 17 ? ? CG D LYS 17 ? ? CD D LYS 17 ? ? 92.29 111.60 -19.31 2.60 N +1109 1 CG D LYS 17 ? ? CD D LYS 17 ? ? CE D LYS 17 ? ? 135.55 111.90 23.65 3.00 N +1110 1 CD D LYS 17 ? ? CE D LYS 17 ? ? NZ D LYS 17 ? ? 91.08 111.70 -20.62 2.30 N +1111 1 CA D LYS 17 ? ? C D LYS 17 ? ? O D LYS 17 ? ? 156.50 120.10 36.40 2.10 N +1112 1 O D LYS 17 ? ? C D LYS 17 ? ? N D VAL 18 ? ? 88.00 122.70 -34.70 1.60 Y +1113 1 CG1 D VAL 18 ? ? CB D VAL 18 ? ? CG2 D VAL 18 ? ? 100.71 110.90 -10.19 1.60 N +1114 1 CA D VAL 18 ? ? CB D VAL 18 ? ? CG1 D VAL 18 ? ? 127.43 110.90 16.53 1.50 N +1115 1 CA D VAL 18 ? ? C D VAL 18 ? ? O D VAL 18 ? ? 100.12 120.10 -19.98 2.10 N +1116 1 O D VAL 18 ? ? C D VAL 18 ? ? N D ASN 19 ? ? 149.56 122.70 26.86 1.60 Y +1117 1 CB D ASN 19 ? ? CA D ASN 19 ? ? C D ASN 19 ? ? 123.78 110.40 13.38 2.00 N +1118 1 OD1 D ASN 19 ? ? CG D ASN 19 ? ? ND2 D ASN 19 ? ? 78.71 121.90 -43.19 2.30 N +1119 1 CB D ASN 19 ? ? CG D ASN 19 ? ? OD1 D ASN 19 ? ? 102.65 121.60 -18.95 2.00 N +1120 1 CB D ASN 19 ? ? CG D ASN 19 ? ? ND2 D ASN 19 ? ? 100.13 116.70 -16.57 2.40 N +1121 1 CA D ASN 19 ? ? C D ASN 19 ? ? O D ASN 19 ? ? 107.20 120.10 -12.90 2.10 N +1122 1 CA D ASN 19 ? ? C D ASN 19 ? ? N D VAL 20 ? ? 139.55 117.20 22.35 2.20 Y +1123 1 CB D VAL 20 ? ? CA D VAL 20 ? ? C D VAL 20 ? ? 126.87 111.40 15.47 1.90 N +1124 1 CG1 D VAL 20 ? ? CB D VAL 20 ? ? CG2 D VAL 20 ? ? 162.83 110.90 51.93 1.60 N +1125 1 CA D VAL 20 ? ? CB D VAL 20 ? ? CG1 D VAL 20 ? ? 93.21 110.90 -17.69 1.50 N +1126 1 CA D VAL 20 ? ? CB D VAL 20 ? ? CG2 D VAL 20 ? ? 71.55 110.90 -39.35 1.50 N +1127 1 CA D VAL 20 ? ? C D VAL 20 ? ? O D VAL 20 ? ? 149.04 120.10 28.94 2.10 N +1128 1 O D VAL 20 ? ? C D VAL 20 ? ? N D ASP 21 ? ? 102.51 122.70 -20.19 1.60 Y +1129 1 OD1 D ASP 21 ? ? CG D ASP 21 ? ? OD2 D ASP 21 ? ? 102.49 123.30 -20.81 1.90 N +1130 1 CB D ASP 21 ? ? CG D ASP 21 ? ? OD1 D ASP 21 ? ? 127.62 118.30 9.32 0.90 N +1131 1 CB D ASP 21 ? ? CG D ASP 21 ? ? OD2 D ASP 21 ? ? 107.81 118.30 -10.49 0.90 N +1132 1 N D ASP 21 ? ? CA D ASP 21 ? ? C D ASP 21 ? ? 142.79 111.00 31.79 2.70 N +1133 1 O D ASP 21 ? ? C D ASP 21 ? ? N D GLU 22 ? ? 108.45 122.70 -14.25 1.60 Y +1134 1 CG D GLU 22 ? ? CD D GLU 22 ? ? OE2 D GLU 22 ? ? 91.72 118.30 -26.58 2.00 N +1135 1 CG1 D VAL 23 ? ? CB D VAL 23 ? ? CG2 D VAL 23 ? ? 121.43 110.90 10.53 1.60 N +1136 1 CA D VAL 23 ? ? CB D VAL 23 ? ? CG2 D VAL 23 ? ? 97.04 110.90 -13.86 1.50 N +1137 1 CA D GLY 24 ? ? C D GLY 24 ? ? N D GLY 25 ? ? 128.95 116.20 12.75 2.00 Y +1138 1 O D GLY 24 ? ? C D GLY 24 ? ? N D GLY 25 ? ? 102.30 123.20 -20.90 1.70 Y +1139 1 C D GLY 24 ? ? N D GLY 25 ? ? CA D GLY 25 ? ? 135.25 122.30 12.95 2.10 Y +1140 1 CB D GLU 26 ? ? CG D GLU 26 ? ? CD D GLU 26 ? ? 46.05 114.20 -68.15 2.70 N +1141 1 OE1 D GLU 26 ? ? CD D GLU 26 ? ? OE2 D GLU 26 ? ? 81.99 123.30 -41.31 1.20 N +1142 1 CG D GLU 26 ? ? CD D GLU 26 ? ? OE1 D GLU 26 ? ? 67.20 118.30 -51.10 2.00 N +1143 1 CG D GLU 26 ? ? CD D GLU 26 ? ? OE2 D GLU 26 ? ? 74.76 118.30 -43.54 2.00 N +1144 1 O D GLU 26 ? ? C D GLU 26 ? ? N D ALA 27 ? ? 133.38 122.70 10.68 1.60 Y +1145 1 CD D ARG 30 ? ? NE D ARG 30 ? ? CZ D ARG 30 ? ? 137.27 123.60 13.67 1.40 N +1146 1 NH1 D ARG 30 ? ? CZ D ARG 30 ? ? NH2 D ARG 30 ? ? 103.55 119.40 -15.85 1.10 N +1147 1 NE D ARG 30 ? ? CZ D ARG 30 ? ? NH1 D ARG 30 ? ? 135.26 120.30 14.96 0.50 N +1148 1 CA D LEU 31 ? ? C D LEU 31 ? ? N D LEU 32 ? ? 103.62 117.20 -13.58 2.20 Y +1149 1 CB D LEU 32 ? ? CG D LEU 32 ? ? CD2 D LEU 32 ? ? 133.85 111.00 22.85 1.70 N +1150 1 CB D TYR 35 ? ? CG D TYR 35 ? ? CD2 D TYR 35 ? ? 126.60 121.00 5.60 0.60 N +1151 1 CB D TYR 35 ? ? CG D TYR 35 ? ? CD1 D TYR 35 ? ? 115.77 121.00 -5.23 0.60 N +1152 1 CG D TYR 35 ? ? CD1 D TYR 35 ? ? CE1 D TYR 35 ? ? 127.10 121.30 5.80 0.80 N +1153 1 CD1 D TYR 35 ? ? CE1 D TYR 35 ? ? CZ D TYR 35 ? ? 110.61 119.80 -9.19 0.90 N +1154 1 N D PRO 36 ? ? CD D PRO 36 ? ? CG D PRO 36 ? ? 114.01 103.20 10.81 1.50 N +1155 1 CE3 D TRP 37 ? ? CZ3 D TRP 37 ? ? CH2 D TRP 37 ? ? 112.20 121.20 -9.00 1.10 N +1156 1 CZ3 D TRP 37 ? ? CH2 D TRP 37 ? ? CZ2 D TRP 37 ? ? 137.32 121.60 15.72 1.20 N +1157 1 CH2 D TRP 37 ? ? CZ2 D TRP 37 ? ? CE2 D TRP 37 ? ? 104.88 117.40 -12.52 1.00 N +1158 1 CA D THR 38 ? ? CB D THR 38 ? ? CG2 D THR 38 ? ? 102.40 112.40 -10.00 1.40 N +1159 1 N D GLN 39 ? ? CA D GLN 39 ? ? CB D GLN 39 ? ? 99.45 110.60 -11.15 1.80 N +1160 1 O D GLN 39 ? ? C D GLN 39 ? ? N D ARG 40 ? ? 111.69 122.70 -11.01 1.60 Y +1161 1 CA D ARG 40 ? ? CB D ARG 40 ? ? CG D ARG 40 ? ? 133.93 113.40 20.53 2.20 N +1162 1 NH1 D ARG 40 ? ? CZ D ARG 40 ? ? NH2 D ARG 40 ? ? 126.76 119.40 7.36 1.10 N +1163 1 NE D ARG 40 ? ? CZ D ARG 40 ? ? NH1 D ARG 40 ? ? 114.61 120.30 -5.69 0.50 N +1164 1 NE D ARG 40 ? ? CZ D ARG 40 ? ? NH2 D ARG 40 ? ? 101.06 120.30 -19.24 0.50 N +1165 1 CA D ARG 40 ? ? C D ARG 40 ? ? N D PHE 41 ? ? 134.39 117.20 17.19 2.20 Y +1166 1 O D ARG 40 ? ? C D ARG 40 ? ? N D PHE 41 ? ? 109.00 122.70 -13.70 1.60 Y +1167 1 CB D PHE 41 ? ? CG D PHE 41 ? ? CD1 D PHE 41 ? ? 116.43 120.80 -4.37 0.70 N +1168 1 CG D PHE 41 ? ? CD1 D PHE 41 ? ? CE1 D PHE 41 ? ? 98.15 120.80 -22.65 1.10 N +1169 1 CD1 D PHE 41 ? ? CE1 D PHE 41 ? ? CZ D PHE 41 ? ? 142.29 120.10 22.19 1.20 N +1170 1 CZ D PHE 41 ? ? CE2 D PHE 41 ? ? CD2 D PHE 41 ? ? 105.99 120.10 -14.11 1.20 N +1171 1 CA D PHE 41 ? ? C D PHE 41 ? ? O D PHE 41 ? ? 100.90 120.10 -19.20 2.10 N +1172 1 O D PHE 41 ? ? C D PHE 41 ? ? N D PHE 42 ? ? 146.41 122.70 23.71 1.60 Y +1173 1 C D PHE 41 ? ? N D PHE 42 ? ? CA D PHE 42 ? ? 105.00 121.70 -16.70 2.50 Y +1174 1 CB D PHE 42 ? ? CG D PHE 42 ? ? CD2 D PHE 42 ? ? 129.33 120.80 8.53 0.70 N +1175 1 CB D PHE 42 ? ? CG D PHE 42 ? ? CD1 D PHE 42 ? ? 105.47 120.80 -15.33 0.70 N +1176 1 CG D PHE 42 ? ? CD1 D PHE 42 ? ? CE1 D PHE 42 ? ? 100.41 120.80 -20.39 1.10 N +1177 1 CD1 D PHE 42 ? ? CE1 D PHE 42 ? ? CZ D PHE 42 ? ? 134.31 120.10 14.21 1.20 N +1178 1 C D PHE 42 ? ? N D GLU 43 ? ? CA D GLU 43 ? ? 104.72 121.70 -16.98 2.50 Y +1179 1 CB D GLU 43 ? ? CA D GLU 43 ? ? C D GLU 43 ? ? 87.83 110.40 -22.57 2.00 N +1180 1 CA D GLU 43 ? ? CB D GLU 43 ? ? CG D GLU 43 ? ? 165.87 113.40 52.47 2.20 N +1181 1 CB D GLU 43 ? ? CG D GLU 43 ? ? CD D GLU 43 ? ? 94.87 114.20 -19.33 2.70 N +1182 1 OE1 D GLU 43 ? ? CD D GLU 43 ? ? OE2 D GLU 43 ? ? 88.12 123.30 -35.18 1.20 N +1183 1 CG D GLU 43 ? ? CD D GLU 43 ? ? OE2 D GLU 43 ? ? 145.80 118.30 27.50 2.00 N +1184 1 CA D GLU 43 ? ? C D GLU 43 ? ? N D SER 44 ? ? 98.30 117.20 -18.90 2.20 Y +1185 1 O D GLU 43 ? ? C D GLU 43 ? ? N D SER 44 ? ? 147.38 122.70 24.68 1.60 Y +1186 1 CA D SER 44 ? ? C D SER 44 ? ? N D PHE 45 ? ? 136.68 117.20 19.48 2.20 Y +1187 1 O D SER 44 ? ? C D SER 44 ? ? N D PHE 45 ? ? 94.75 122.70 -27.95 1.60 Y +1188 1 CB D PHE 45 ? ? CG D PHE 45 ? ? CD2 D PHE 45 ? ? 135.48 120.80 14.68 0.70 N +1189 1 CB D PHE 45 ? ? CG D PHE 45 ? ? CD1 D PHE 45 ? ? 113.12 120.80 -7.68 0.70 N +1190 1 CG D PHE 45 ? ? CD1 D PHE 45 ? ? CE1 D PHE 45 ? ? 112.91 120.80 -7.89 1.10 N +1191 1 CG D PHE 45 ? ? CD2 D PHE 45 ? ? CE2 D PHE 45 ? ? 134.99 120.80 14.19 1.10 N +1192 1 CE1 D PHE 45 ? ? CZ D PHE 45 ? ? CE2 D PHE 45 ? ? 108.62 120.00 -11.38 1.80 N +1193 1 CA D PHE 45 ? ? C D PHE 45 ? ? O D PHE 45 ? ? 96.02 120.10 -24.08 2.10 N +1194 1 O D PHE 45 ? ? C D PHE 45 ? ? N D GLY 46 ? ? 144.26 123.20 21.06 1.70 Y +1195 1 C D PHE 45 ? ? N D GLY 46 ? ? CA D GLY 46 ? ? 107.73 122.30 -14.57 2.10 Y +1196 1 CA D GLY 46 ? ? C D GLY 46 ? ? O D GLY 46 ? ? 91.84 120.60 -28.76 1.80 N +1197 1 O D GLY 46 ? ? C D GLY 46 ? ? N D ASP 47 ? ? 144.17 122.70 21.47 1.60 Y +1198 1 C D GLY 46 ? ? N D ASP 47 ? ? CA D ASP 47 ? ? 76.58 121.70 -45.12 2.50 Y +1199 1 CB D ASP 47 ? ? CA D ASP 47 ? ? C D ASP 47 ? ? 80.27 110.40 -30.13 2.00 N +1200 1 N D ASP 47 ? ? CA D ASP 47 ? ? CB D ASP 47 ? ? 67.84 110.60 -42.76 1.80 N +1201 1 CA D ASP 47 ? ? CB D ASP 47 ? ? CG D ASP 47 ? ? 95.63 113.40 -17.77 2.20 N +1202 1 OD1 D ASP 47 ? ? CG D ASP 47 ? ? OD2 D ASP 47 ? ? 145.42 123.30 22.12 1.90 N +1203 1 CB D ASP 47 ? ? CG D ASP 47 ? ? OD1 D ASP 47 ? ? 97.68 118.30 -20.62 0.90 N +1204 1 N D ASP 47 ? ? CA D ASP 47 ? ? C D ASP 47 ? ? 69.76 111.00 -41.24 2.70 N +1205 1 CA D ASP 47 ? ? C D ASP 47 ? ? N D LEU 48 ? ? 82.02 117.20 -35.18 2.20 Y +1206 1 O D ASP 47 ? ? C D ASP 47 ? ? N D LEU 48 ? ? 163.93 122.70 41.23 1.60 Y +1207 1 C D ASP 47 ? ? N D LEU 48 ? ? CA D LEU 48 ? ? 103.31 121.70 -18.39 2.50 Y +1208 1 CA D LEU 48 ? ? CB D LEU 48 ? ? CG D LEU 48 ? ? 98.02 115.30 -17.28 2.30 N +1209 1 CB D LEU 48 ? ? CG D LEU 48 ? ? CD1 D LEU 48 ? ? 100.62 111.00 -10.38 1.70 N +1210 1 CB D LEU 48 ? ? CG D LEU 48 ? ? CD2 D LEU 48 ? ? 126.95 111.00 15.95 1.70 N +1211 1 C D LEU 48 ? ? N D SER 49 ? ? CA D SER 49 ? ? 104.84 121.70 -16.86 2.50 Y +1212 1 CB D SER 49 ? ? CA D SER 49 ? ? C D SER 49 ? ? 89.04 110.10 -21.06 1.90 N +1213 1 CA D SER 49 ? ? C D SER 49 ? ? N D THR 50 ? ? 103.01 117.20 -14.19 2.20 Y +1214 1 C D SER 49 ? ? N D THR 50 ? ? CA D THR 50 ? ? 90.25 121.70 -31.45 2.50 Y +1215 1 CB D THR 50 ? ? CA D THR 50 ? ? C D THR 50 ? ? 81.22 111.60 -30.38 2.70 N +1216 1 N D THR 50 ? ? CA D THR 50 ? ? CB D THR 50 ? ? 82.45 110.30 -27.85 1.90 N +1217 1 CA D THR 50 ? ? CB D THR 50 ? ? OG1 D THR 50 ? ? 125.15 109.00 16.15 2.10 N +1218 1 CA D THR 50 ? ? CB D THR 50 ? ? CG2 D THR 50 ? ? 101.86 112.40 -10.54 1.40 N +1219 1 N D PRO 51 ? ? CD D PRO 51 ? ? CG D PRO 51 ? ? 89.48 103.20 -13.72 1.50 N +1220 1 CA D PRO 51 ? ? C D PRO 51 ? ? O D PRO 51 ? ? 135.94 120.20 15.74 2.40 N +1221 1 O D PRO 51 ? ? C D PRO 51 ? ? N D ASP 52 ? ? 112.25 122.70 -10.45 1.60 Y +1222 1 N D ASP 52 ? ? CA D ASP 52 ? ? CB D ASP 52 ? ? 89.20 110.60 -21.40 1.80 N +1223 1 CA D ASP 52 ? ? CB D ASP 52 ? ? CG D ASP 52 ? ? 128.46 113.40 15.06 2.20 N +1224 1 OD1 D ASP 52 ? ? CG D ASP 52 ? ? OD2 D ASP 52 ? ? 100.45 123.30 -22.85 1.90 N +1225 1 CB D ASP 52 ? ? CG D ASP 52 ? ? OD1 D ASP 52 ? ? 95.06 118.30 -23.24 0.90 N +1226 1 CB D ASP 52 ? ? CG D ASP 52 ? ? OD2 D ASP 52 ? ? 89.71 118.30 -28.59 0.90 N +1227 1 CA D ASP 52 ? ? C D ASP 52 ? ? O D ASP 52 ? ? 101.31 120.10 -18.79 2.10 N +1228 1 O D ASP 52 ? ? C D ASP 52 ? ? N D ALA 53 ? ? 135.92 122.70 13.22 1.60 Y +1229 1 CB D ALA 53 ? ? CA D ALA 53 ? ? C D ALA 53 ? ? 96.69 110.10 -13.41 1.50 N +1230 1 N D ALA 53 ? ? CA D ALA 53 ? ? CB D ALA 53 ? ? 127.34 110.10 17.24 1.40 N +1231 1 CA D ALA 53 ? ? C D ALA 53 ? ? O D ALA 53 ? ? 139.33 120.10 19.23 2.10 N +1232 1 CA D VAL 54 ? ? CB D VAL 54 ? ? CG1 D VAL 54 ? ? 95.21 110.90 -15.69 1.50 N +1233 1 O D VAL 54 ? ? C D VAL 54 ? ? N D MET 55 ? ? 107.33 122.70 -15.37 1.60 Y +1234 1 CB D MET 55 ? ? CG D MET 55 ? ? SD D MET 55 ? ? 137.22 112.40 24.82 3.00 N +1235 1 CA D MET 55 ? ? C D MET 55 ? ? O D MET 55 ? ? 102.10 120.10 -18.00 2.10 N +1236 1 CA D MET 55 ? ? C D MET 55 ? ? N D GLY 56 ? ? 94.18 116.20 -22.02 2.00 Y +1237 1 O D MET 55 ? ? C D MET 55 ? ? N D GLY 56 ? ? 160.37 123.20 37.17 1.70 Y +1238 1 C D MET 55 ? ? N D GLY 56 ? ? CA D GLY 56 ? ? 78.33 122.30 -43.97 2.10 Y +1239 1 CA D GLY 56 ? ? C D GLY 56 ? ? O D GLY 56 ? ? 132.91 120.60 12.31 1.80 N +1240 1 O D GLY 56 ? ? C D GLY 56 ? ? N D ASN 57 ? ? 93.29 122.70 -29.41 1.60 Y +1241 1 CA D ASN 57 ? ? C D ASN 57 ? ? O D ASN 57 ? ? 143.56 120.10 23.46 2.10 N +1242 1 O D ASN 57 ? ? C D ASN 57 ? ? N D PRO 58 ? ? 104.47 121.10 -16.63 1.90 Y +1243 1 C D ASN 57 ? ? N D PRO 58 ? ? CD D PRO 58 ? ? 143.69 128.40 15.29 2.10 Y +1244 1 CA D PRO 58 ? ? N D PRO 58 ? ? CD D PRO 58 ? ? 95.59 111.70 -16.11 1.40 N +1245 1 CA D PRO 58 ? ? CB D PRO 58 ? ? CG D PRO 58 ? ? 71.72 104.80 -33.08 1.90 N +1246 1 CB D PRO 58 ? ? CG D PRO 58 ? ? CD D PRO 58 ? ? 152.36 106.50 45.86 3.90 N +1247 1 N D PRO 58 ? ? CD D PRO 58 ? ? CG D PRO 58 ? ? 56.72 103.20 -46.48 1.50 N +1248 1 CD D LYS 59 ? ? CE D LYS 59 ? ? NZ D LYS 59 ? ? 96.99 111.70 -14.71 2.30 N +1249 1 CA D LYS 59 ? ? C D LYS 59 ? ? N D VAL 60 ? ? 98.86 117.20 -18.34 2.20 Y +1250 1 O D LYS 59 ? ? C D LYS 59 ? ? N D VAL 60 ? ? 145.89 122.70 23.19 1.60 Y +1251 1 CB D VAL 60 ? ? CA D VAL 60 ? ? C D VAL 60 ? ? 130.09 111.40 18.69 1.90 N +1252 1 CG1 D VAL 60 ? ? CB D VAL 60 ? ? CG2 D VAL 60 ? ? 127.31 110.90 16.41 1.60 N +1253 1 CA D VAL 60 ? ? CB D VAL 60 ? ? CG1 D VAL 60 ? ? 98.44 110.90 -12.46 1.50 N +1254 1 CA D VAL 60 ? ? CB D VAL 60 ? ? CG2 D VAL 60 ? ? 120.45 110.90 9.55 1.50 N +1255 1 O D VAL 60 ? ? C D VAL 60 ? ? N D LYS 61 ? ? 111.88 122.70 -10.82 1.60 Y +1256 1 CA D HIS 63 ? ? CB D HIS 63 ? ? CG D HIS 63 ? ? 133.46 113.60 19.86 1.70 N +1257 1 CB D HIS 63 ? ? CG D HIS 63 ? ? CD2 D HIS 63 ? ? 116.20 129.70 -13.50 1.60 N +1258 1 ND1 D HIS 63 ? ? CG D HIS 63 ? ? CD2 D HIS 63 ? ? 123.36 108.80 14.56 1.40 N +1259 1 CB D HIS 63 ? ? CG D HIS 63 ? ? ND1 D HIS 63 ? ? 109.17 121.40 -12.23 1.30 N +1260 1 CG D HIS 63 ? ? ND1 D HIS 63 ? ? CE1 D HIS 63 ? ? 91.20 105.70 -14.50 1.30 N +1261 1 ND1 D HIS 63 ? ? CE1 D HIS 63 ? ? NE2 D HIS 63 ? ? 98.99 108.50 -9.51 1.10 N +1262 1 CE1 D HIS 63 ? ? NE2 D HIS 63 ? ? CD2 D HIS 63 ? ? 117.62 109.00 8.62 0.70 N +1263 1 CG D HIS 63 ? ? CD2 D HIS 63 ? ? NE2 D HIS 63 ? ? 85.45 106.70 -21.25 1.20 N +1264 1 O D HIS 63 ? ? C D HIS 63 ? ? N D GLY 64 ? ? 136.73 123.20 13.53 1.70 Y +1265 1 CA D GLY 64 ? ? C D GLY 64 ? ? O D GLY 64 ? ? 131.98 120.60 11.38 1.80 N +1266 1 N D LYS 65 ? ? CA D LYS 65 ? ? CB D LYS 65 ? ? 97.56 110.60 -13.04 1.80 N +1267 1 CA D LYS 65 ? ? CB D LYS 65 ? ? CG D LYS 65 ? ? 92.33 113.40 -21.07 2.20 N +1268 1 CB D LYS 65 ? ? CG D LYS 65 ? ? CD D LYS 65 ? ? 79.34 111.60 -32.26 2.60 N +1269 1 CG D LYS 65 ? ? CD D LYS 65 ? ? CE D LYS 65 ? ? 76.43 111.90 -35.47 3.00 N +1270 1 CD D LYS 65 ? ? CE D LYS 65 ? ? NZ D LYS 65 ? ? 83.93 111.70 -27.77 2.30 N +1271 1 CB D LYS 66 ? ? CA D LYS 66 ? ? C D LYS 66 ? ? 123.37 110.40 12.97 2.00 N +1272 1 CA D LYS 66 ? ? CB D LYS 66 ? ? CG D LYS 66 ? ? 143.51 113.40 30.11 2.20 N +1273 1 CG D LYS 66 ? ? CD D LYS 66 ? ? CE D LYS 66 ? ? 88.63 111.90 -23.27 3.00 N +1274 1 N D VAL 67 ? ? CA D VAL 67 ? ? CB D VAL 67 ? ? 91.07 111.50 -20.43 2.20 N +1275 1 CG1 D VAL 67 ? ? CB D VAL 67 ? ? CG2 D VAL 67 ? ? 132.28 110.90 21.38 1.60 N +1276 1 CA D VAL 67 ? ? CB D VAL 67 ? ? CG1 D VAL 67 ? ? 94.61 110.90 -16.29 1.50 N +1277 1 CB D LEU 68 ? ? CG D LEU 68 ? ? CD1 D LEU 68 ? ? 124.77 111.00 13.77 1.70 N +1278 1 CB D PHE 71 ? ? CG D PHE 71 ? ? CD2 D PHE 71 ? ? 110.03 120.80 -10.77 0.70 N +1279 1 CD1 D PHE 71 ? ? CG D PHE 71 ? ? CD2 D PHE 71 ? ? 138.37 118.30 20.07 1.30 N +1280 1 CB D PHE 71 ? ? CG D PHE 71 ? ? CD1 D PHE 71 ? ? 110.75 120.80 -10.05 0.70 N +1281 1 CG D PHE 71 ? ? CD1 D PHE 71 ? ? CE1 D PHE 71 ? ? 106.98 120.80 -13.82 1.10 N +1282 1 CG D PHE 71 ? ? CD2 D PHE 71 ? ? CE2 D PHE 71 ? ? 96.62 120.80 -24.18 1.10 N +1283 1 CD1 D PHE 71 ? ? CE1 D PHE 71 ? ? CZ D PHE 71 ? ? 128.39 120.10 8.29 1.20 N +1284 1 CZ D PHE 71 ? ? CE2 D PHE 71 ? ? CD2 D PHE 71 ? ? 130.24 120.10 10.14 1.20 N +1285 1 N D SER 72 ? ? CA D SER 72 ? ? CB D SER 72 ? ? 140.43 110.50 29.93 1.50 N +1286 1 CA D SER 72 ? ? CB D SER 72 ? ? OG D SER 72 ? ? 89.98 111.20 -21.22 2.70 N +1287 1 CA D SER 72 ? ? C D SER 72 ? ? O D SER 72 ? ? 142.02 120.10 21.92 2.10 N +1288 1 CA D SER 72 ? ? C D SER 72 ? ? N D ASP 73 ? ? 100.62 117.20 -16.58 2.20 Y +1289 1 CA D ASP 73 ? ? CB D ASP 73 ? ? CG D ASP 73 ? ? 83.50 113.40 -29.90 2.20 N +1290 1 OD1 D ASP 73 ? ? CG D ASP 73 ? ? OD2 D ASP 73 ? ? 71.12 123.30 -52.18 1.90 N +1291 1 CB D ASP 73 ? ? CG D ASP 73 ? ? OD1 D ASP 73 ? ? 157.24 118.30 38.94 0.90 N +1292 1 CB D ASP 73 ? ? CG D ASP 73 ? ? OD2 D ASP 73 ? ? 89.55 118.30 -28.75 0.90 N +1293 1 N D ASP 73 ? ? CA D ASP 73 ? ? C D ASP 73 ? ? 138.43 111.00 27.43 2.70 N +1294 1 CA D ASP 73 ? ? C D ASP 73 ? ? O D ASP 73 ? ? 147.28 120.10 27.18 2.10 N +1295 1 O D ASP 73 ? ? C D ASP 73 ? ? N D GLY 74 ? ? 99.51 123.20 -23.69 1.70 Y +1296 1 CA D GLY 74 ? ? C D GLY 74 ? ? O D GLY 74 ? ? 131.94 120.60 11.34 1.80 N +1297 1 CB D LEU 75 ? ? CA D LEU 75 ? ? C D LEU 75 ? ? 122.88 110.20 12.68 1.90 N +1298 1 CB D LEU 75 ? ? CG D LEU 75 ? ? CD2 D LEU 75 ? ? 131.93 111.00 20.93 1.70 N +1299 1 CB D ALA 76 ? ? CA D ALA 76 ? ? C D ALA 76 ? ? 129.70 110.10 19.60 1.50 N +1300 1 N D ALA 76 ? ? CA D ALA 76 ? ? CB D ALA 76 ? ? 80.22 110.10 -29.88 1.40 N +1301 1 N D ALA 76 ? ? CA D ALA 76 ? ? C D ALA 76 ? ? 92.58 111.00 -18.42 2.70 N +1302 1 CA D ALA 76 ? ? C D ALA 76 ? ? O D ALA 76 ? ? 105.95 120.10 -14.15 2.10 N +1303 1 CA D ALA 76 ? ? C D ALA 76 ? ? N D HIS 77 ? ? 151.45 117.20 34.25 2.20 Y +1304 1 O D ALA 76 ? ? C D ALA 76 ? ? N D HIS 77 ? ? 97.77 122.70 -24.93 1.60 Y +1305 1 CB D HIS 77 ? ? CA D HIS 77 ? ? C D HIS 77 ? ? 84.39 110.40 -26.01 2.00 N +1306 1 ND1 D HIS 77 ? ? CG D HIS 77 ? ? CD2 D HIS 77 ? ? 128.65 108.80 19.85 1.40 N +1307 1 CB D HIS 77 ? ? CG D HIS 77 ? ? ND1 D HIS 77 ? ? 110.11 121.40 -11.29 1.30 N +1308 1 CG D HIS 77 ? ? ND1 D HIS 77 ? ? CE1 D HIS 77 ? ? 97.64 105.70 -8.06 1.30 N +1309 1 ND1 D HIS 77 ? ? CE1 D HIS 77 ? ? NE2 D HIS 77 ? ? 90.43 108.50 -18.07 1.10 N +1310 1 CE1 D HIS 77 ? ? NE2 D HIS 77 ? ? CD2 D HIS 77 ? ? 132.89 109.00 23.89 0.70 N +1311 1 CG D HIS 77 ? ? CD2 D HIS 77 ? ? NE2 D HIS 77 ? ? 79.89 106.70 -26.81 1.20 N +1312 1 CA D HIS 77 ? ? C D HIS 77 ? ? O D HIS 77 ? ? 145.78 120.10 25.68 2.10 N +1313 1 CA D HIS 77 ? ? C D HIS 77 ? ? N D LEU 78 ? ? 97.44 117.20 -19.76 2.20 Y +1314 1 CB D LEU 78 ? ? CG D LEU 78 ? ? CD1 D LEU 78 ? ? 94.53 111.00 -16.47 1.70 N +1315 1 CB D LEU 78 ? ? CG D LEU 78 ? ? CD2 D LEU 78 ? ? 142.62 111.00 31.62 1.70 N +1316 1 N D LEU 78 ? ? CA D LEU 78 ? ? C D LEU 78 ? ? 143.43 111.00 32.43 2.70 N +1317 1 CA D LEU 78 ? ? C D LEU 78 ? ? O D LEU 78 ? ? 153.76 120.10 33.66 2.10 N +1318 1 CA D LEU 78 ? ? C D LEU 78 ? ? N D ASP 79 ? ? 91.47 117.20 -25.73 2.20 Y +1319 1 C D LEU 78 ? ? N D ASP 79 ? ? CA D ASP 79 ? ? 102.38 121.70 -19.32 2.50 Y +1320 1 CB D ASP 79 ? ? CA D ASP 79 ? ? C D ASP 79 ? ? 80.94 110.40 -29.46 2.00 N +1321 1 N D ASP 79 ? ? CA D ASP 79 ? ? CB D ASP 79 ? ? 87.40 110.60 -23.20 1.80 N +1322 1 OD1 D ASP 79 ? ? CG D ASP 79 ? ? OD2 D ASP 79 ? ? 82.07 123.30 -41.23 1.90 N +1323 1 CB D ASP 79 ? ? CG D ASP 79 ? ? OD1 D ASP 79 ? ? 109.77 118.30 -8.53 0.90 N +1324 1 CB D ASP 79 ? ? CG D ASP 79 ? ? OD2 D ASP 79 ? ? 92.06 118.30 -26.24 0.90 N +1325 1 CA D ASP 79 ? ? C D ASP 79 ? ? N D ASN 80 ? ? 90.66 117.20 -26.54 2.20 Y +1326 1 C D ASP 79 ? ? N D ASN 80 ? ? CA D ASN 80 ? ? 95.02 121.70 -26.68 2.50 Y +1327 1 CB D ASN 80 ? ? CA D ASN 80 ? ? C D ASN 80 ? ? 96.34 110.40 -14.06 2.00 N +1328 1 CA D ASN 80 ? ? CB D ASN 80 ? ? CG D ASN 80 ? ? 175.84 113.40 62.44 2.20 N +1329 1 OD1 D ASN 80 ? ? CG D ASN 80 ? ? ND2 D ASN 80 ? ? 154.40 121.90 32.50 2.30 N +1330 1 CB D ASN 80 ? ? CG D ASN 80 ? ? OD1 D ASN 80 ? ? 109.22 121.60 -12.38 2.00 N +1331 1 CB D ASN 80 ? ? CG D ASN 80 ? ? ND2 D ASN 80 ? ? 91.49 116.70 -25.21 2.40 N +1332 1 CA D ASN 80 ? ? C D ASN 80 ? ? N D LEU 81 ? ? 90.94 117.20 -26.26 2.20 Y +1333 1 C D ASN 80 ? ? N D LEU 81 ? ? CA D LEU 81 ? ? 105.08 121.70 -16.62 2.50 Y +1334 1 CB D LEU 81 ? ? CG D LEU 81 ? ? CD2 D LEU 81 ? ? 122.47 111.00 11.47 1.70 N +1335 1 CG D LYS 82 ? ? CD D LYS 82 ? ? CE D LYS 82 ? ? 77.80 111.90 -34.10 3.00 N +1336 1 CD D LYS 82 ? ? CE D LYS 82 ? ? NZ D LYS 82 ? ? 57.02 111.70 -54.68 2.30 N +1337 1 O D LYS 82 ? ? C D LYS 82 ? ? N D GLY 83 ? ? 106.18 123.20 -17.02 1.70 Y +1338 1 O D GLY 83 ? ? C D GLY 83 ? ? N D THR 84 ? ? 103.63 122.70 -19.07 1.60 Y +1339 1 CA D THR 84 ? ? CB D THR 84 ? ? CG2 D THR 84 ? ? 126.47 112.40 14.07 1.40 N +1340 1 CA D THR 84 ? ? C D THR 84 ? ? N D PHE 85 ? ? 102.37 117.20 -14.83 2.20 Y +1341 1 CA D PHE 85 ? ? CB D PHE 85 ? ? CG D PHE 85 ? ? 98.93 113.90 -14.97 2.40 N +1342 1 CB D PHE 85 ? ? CG D PHE 85 ? ? CD2 D PHE 85 ? ? 125.61 120.80 4.81 0.70 N +1343 1 CB D PHE 85 ? ? CG D PHE 85 ? ? CD1 D PHE 85 ? ? 113.12 120.80 -7.68 0.70 N +1344 1 CE1 D PHE 85 ? ? CZ D PHE 85 ? ? CE2 D PHE 85 ? ? 107.84 120.00 -12.16 1.80 N +1345 1 CZ D PHE 85 ? ? CE2 D PHE 85 ? ? CD2 D PHE 85 ? ? 131.55 120.10 11.45 1.20 N +1346 1 O D PHE 85 ? ? C D PHE 85 ? ? N D ALA 86 ? ? 109.75 122.70 -12.95 1.60 Y +1347 1 CB D ALA 86 ? ? CA D ALA 86 ? ? C D ALA 86 ? ? 97.93 110.10 -12.17 1.50 N +1348 1 CA D SER 89 ? ? C D SER 89 ? ? O D SER 89 ? ? 139.75 120.10 19.65 2.10 N +1349 1 O D SER 89 ? ? C D SER 89 ? ? N D GLU 90 ? ? 110.58 122.70 -12.12 1.60 Y +1350 1 CA D GLU 90 ? ? CB D GLU 90 ? ? CG D GLU 90 ? ? 95.18 113.40 -18.22 2.20 N +1351 1 CB D GLU 90 ? ? CG D GLU 90 ? ? CD D GLU 90 ? ? 89.48 114.20 -24.72 2.70 N +1352 1 OE1 D GLU 90 ? ? CD D GLU 90 ? ? OE2 D GLU 90 ? ? 105.65 123.30 -17.65 1.20 N +1353 1 CG D GLU 90 ? ? CD D GLU 90 ? ? OE1 D GLU 90 ? ? 74.24 118.30 -44.06 2.00 N +1354 1 CG D GLU 90 ? ? CD D GLU 90 ? ? OE2 D GLU 90 ? ? 96.79 118.30 -21.51 2.00 N +1355 1 C D GLU 90 ? ? N D LEU 91 ? ? CA D LEU 91 ? ? 105.73 121.70 -15.97 2.50 Y +1356 1 CA D LEU 91 ? ? C D LEU 91 ? ? O D LEU 91 ? ? 134.05 120.10 13.95 2.10 N +1357 1 CB D HIS 92 ? ? CA D HIS 92 ? ? C D HIS 92 ? ? 94.20 110.40 -16.20 2.00 N +1358 1 N D HIS 92 ? ? CA D HIS 92 ? ? CB D HIS 92 ? ? 96.53 110.60 -14.07 1.80 N +1359 1 CA D HIS 92 ? ? CB D HIS 92 ? ? CG D HIS 92 ? ? 103.40 113.60 -10.20 1.70 N +1360 1 CB D HIS 92 ? ? CG D HIS 92 ? ? CD2 D HIS 92 ? ? 150.95 131.40 19.55 1.20 N +1361 1 CB D HIS 92 ? ? CG D HIS 92 ? ? ND1 D HIS 92 ? ? 110.96 121.40 -10.44 1.30 N +1362 1 CG D HIS 92 ? ? ND1 D HIS 92 ? ? CE1 D HIS 92 ? ? 95.92 105.70 -9.78 1.30 N +1363 1 ND1 D HIS 92 ? ? CE1 D HIS 92 ? ? NE2 D HIS 92 ? ? 127.86 111.50 16.36 1.30 N +1364 1 CE1 D HIS 92 ? ? NE2 D HIS 92 ? ? CD2 D HIS 92 ? ? 89.86 106.60 -16.74 2.50 N +1365 1 CG D HIS 92 ? ? CD2 D HIS 92 ? ? NE2 D HIS 92 ? ? 124.38 109.20 15.18 1.90 N +1366 1 CA D HIS 92 ? ? C D HIS 92 ? ? O D HIS 92 ? ? 105.28 120.10 -14.82 2.10 N +1367 1 CB D CYS 93 ? ? CA D CYS 93 ? ? C D CYS 93 ? ? 126.78 111.50 15.28 1.20 N +1368 1 N D CYS 93 ? ? CA D CYS 93 ? ? CB D CYS 93 ? ? 96.00 110.60 -14.60 1.80 N +1369 1 CA D CYS 93 ? ? CB D CYS 93 ? ? SG D CYS 93 ? ? 98.36 114.00 -15.64 1.80 N +1370 1 CA D CYS 93 ? ? C D CYS 93 ? ? N D ASP 94 ? ? 101.53 117.20 -15.67 2.20 Y +1371 1 O D CYS 93 ? ? C D CYS 93 ? ? N D ASP 94 ? ? 142.12 122.70 19.42 1.60 Y +1372 1 C D CYS 93 ? ? N D ASP 94 ? ? CA D ASP 94 ? ? 106.46 121.70 -15.24 2.50 Y +1373 1 N D ASP 94 ? ? CA D ASP 94 ? ? CB D ASP 94 ? ? 97.01 110.60 -13.59 1.80 N +1374 1 OD1 D ASP 94 ? ? CG D ASP 94 ? ? OD2 D ASP 94 ? ? 153.47 123.30 30.17 1.90 N +1375 1 CB D ASP 94 ? ? CG D ASP 94 ? ? OD1 D ASP 94 ? ? 96.27 118.30 -22.03 0.90 N +1376 1 CB D ASP 94 ? ? CG D ASP 94 ? ? OD2 D ASP 94 ? ? 101.45 118.30 -16.85 0.90 N +1377 1 CB D LYS 95 ? ? CG D LYS 95 ? ? CD D LYS 95 ? ? 89.54 111.60 -22.06 2.60 N +1378 1 CA D LYS 95 ? ? C D LYS 95 ? ? O D LYS 95 ? ? 139.19 120.10 19.09 2.10 N +1379 1 O D LYS 95 ? ? C D LYS 95 ? ? N D LEU 96 ? ? 106.92 122.70 -15.78 1.60 Y +1380 1 O D LEU 96 ? ? C D LEU 96 ? ? N D HIS 97 ? ? 132.67 122.70 9.97 1.60 Y +1381 1 CB D HIS 97 ? ? CG D HIS 97 ? ? CD2 D HIS 97 ? ? 118.37 129.70 -11.33 1.60 N +1382 1 ND1 D HIS 97 ? ? CG D HIS 97 ? ? CD2 D HIS 97 ? ? 119.37 108.80 10.57 1.40 N +1383 1 ND1 D HIS 97 ? ? CE1 D HIS 97 ? ? NE2 D HIS 97 ? ? 88.40 108.50 -20.10 1.10 N +1384 1 CE1 D HIS 97 ? ? NE2 D HIS 97 ? ? CD2 D HIS 97 ? ? 134.71 109.00 25.71 0.70 N +1385 1 CG D HIS 97 ? ? CD2 D HIS 97 ? ? NE2 D HIS 97 ? ? 85.52 106.70 -21.18 1.20 N +1386 1 CA D VAL 98 ? ? CB D VAL 98 ? ? CG2 D VAL 98 ? ? 99.74 110.90 -11.16 1.50 N +1387 1 OD1 D ASP 99 ? ? CG D ASP 99 ? ? OD2 D ASP 99 ? ? 141.06 123.30 17.76 1.90 N +1388 1 CB D ASP 99 ? ? CG D ASP 99 ? ? OD1 D ASP 99 ? ? 106.74 118.30 -11.56 0.90 N +1389 1 CB D ASP 99 ? ? CG D ASP 99 ? ? OD2 D ASP 99 ? ? 111.36 118.30 -6.94 0.90 N +1390 1 CA D PRO 100 ? ? N D PRO 100 ? ? CD D PRO 100 ? ? 102.47 111.70 -9.23 1.40 N +1391 1 CB D PRO 100 ? ? CA D PRO 100 ? ? C D PRO 100 ? ? 128.06 111.70 16.36 2.10 N +1392 1 O D PRO 100 ? ? C D PRO 100 ? ? N D GLU 101 ? ? 133.48 122.70 10.78 1.60 Y +1393 1 OE1 D GLU 101 ? ? CD D GLU 101 ? ? OE2 D GLU 101 ? ? 156.95 123.30 33.65 1.20 N +1394 1 CG D GLU 101 ? ? CD D GLU 101 ? ? OE1 D GLU 101 ? ? 89.57 118.30 -28.73 2.00 N +1395 1 CG D GLU 101 ? ? CD D GLU 101 ? ? OE2 D GLU 101 ? ? 80.87 118.30 -37.43 2.00 N +1396 1 CA D ASN 102 ? ? C D ASN 102 ? ? N D PHE 103 ? ? 130.46 117.20 13.26 2.20 Y +1397 1 N D PHE 103 ? ? CA D PHE 103 ? ? CB D PHE 103 ? ? 122.48 110.60 11.88 1.80 N +1398 1 CG D ARG 104 ? ? CD D ARG 104 ? ? NE D ARG 104 ? ? 89.31 111.80 -22.49 2.10 N +1399 1 CD D ARG 104 ? ? NE D ARG 104 ? ? CZ D ARG 104 ? ? 86.37 123.60 -37.23 1.40 N +1400 1 NE D ARG 104 ? ? CZ D ARG 104 ? ? NH1 D ARG 104 ? ? 91.08 120.30 -29.22 0.50 N +1401 1 NE D ARG 104 ? ? CZ D ARG 104 ? ? NH2 D ARG 104 ? ? 76.84 120.30 -43.46 0.50 N +1402 1 CA D LEU 105 ? ? CB D LEU 105 ? ? CG D LEU 105 ? ? 130.03 115.30 14.73 2.30 N +1403 1 CB D LEU 105 ? ? CG D LEU 105 ? ? CD1 D LEU 105 ? ? 129.77 111.00 18.77 1.70 N +1404 1 OD1 D ASN 108 ? ? CG D ASN 108 ? ? ND2 D ASN 108 ? ? 141.93 121.90 20.03 2.30 N +1405 1 CB D ASN 108 ? ? CG D ASN 108 ? ? ND2 D ASN 108 ? ? 97.59 116.70 -19.11 2.40 N +1406 1 CA D LEU 110 ? ? C D LEU 110 ? ? O D LEU 110 ? ? 137.02 120.10 16.92 2.10 N +1407 1 O D LEU 110 ? ? C D LEU 110 ? ? N D VAL 111 ? ? 110.91 122.70 -11.79 1.60 Y +1408 1 CA D CYS 112 ? ? C D CYS 112 ? ? N D VAL 113 ? ? 101.28 117.20 -15.92 2.20 Y +1409 1 ND1 D HIS 116 ? ? CG D HIS 116 ? ? CD2 D HIS 116 ? ? 121.74 108.80 12.94 1.40 N +1410 1 CB D HIS 117 ? ? CG D HIS 117 ? ? CD2 D HIS 117 ? ? 147.08 131.40 15.68 1.20 N +1411 1 ND1 D HIS 117 ? ? CG D HIS 117 ? ? CD2 D HIS 117 ? ? 90.52 106.00 -15.48 1.40 N +1412 1 CG D HIS 117 ? ? ND1 D HIS 117 ? ? CE1 D HIS 117 ? ? 92.64 105.70 -13.06 1.30 N +1413 1 ND1 D HIS 117 ? ? CE1 D HIS 117 ? ? NE2 D HIS 117 ? ? 121.46 111.50 9.96 1.30 N +1414 1 CE1 D HIS 117 ? ? NE2 D HIS 117 ? ? CD2 D HIS 117 ? ? 115.01 109.00 6.01 0.70 N +1415 1 O D HIS 117 ? ? C D HIS 117 ? ? N D PHE 118 ? ? 110.72 122.70 -11.98 1.60 Y +1416 1 CB D PHE 118 ? ? CG D PHE 118 ? ? CD2 D PHE 118 ? ? 111.97 120.80 -8.83 0.70 N +1417 1 CB D PHE 118 ? ? CG D PHE 118 ? ? CD1 D PHE 118 ? ? 135.16 120.80 14.36 0.70 N +1418 1 CG D PHE 118 ? ? CD1 D PHE 118 ? ? CE1 D PHE 118 ? ? 141.50 120.80 20.70 1.10 N +1419 1 CG D PHE 118 ? ? CD2 D PHE 118 ? ? CE2 D PHE 118 ? ? 111.74 120.80 -9.06 1.10 N +1420 1 CD1 D PHE 118 ? ? CE1 D PHE 118 ? ? CZ D PHE 118 ? ? 104.02 120.10 -16.08 1.20 N +1421 1 CA D GLY 119 ? ? C D GLY 119 ? ? O D GLY 119 ? ? 135.81 120.60 15.21 1.80 N +1422 1 CB D LYS 120 ? ? CG D LYS 120 ? ? CD D LYS 120 ? ? 134.73 111.60 23.13 2.60 N +1423 1 O D LYS 120 ? ? C D LYS 120 ? ? N D GLU 121 ? ? 103.76 122.70 -18.94 1.60 Y +1424 1 OE1 D GLU 121 ? ? CD D GLU 121 ? ? OE2 D GLU 121 ? ? 105.47 123.30 -17.83 1.20 N +1425 1 CG D GLU 121 ? ? CD D GLU 121 ? ? OE1 D GLU 121 ? ? 94.16 118.30 -24.14 2.00 N +1426 1 CG D GLU 121 ? ? CD D GLU 121 ? ? OE2 D GLU 121 ? ? 92.17 118.30 -26.13 2.00 N +1427 1 O D GLU 121 ? ? C D GLU 121 ? ? N D PHE 122 ? ? 135.49 122.70 12.79 1.60 Y +1428 1 N D PHE 122 ? ? CA D PHE 122 ? ? CB D PHE 122 ? ? 99.11 110.60 -11.49 1.80 N +1429 1 CD1 D PHE 122 ? ? CG D PHE 122 ? ? CD2 D PHE 122 ? ? 108.31 118.30 -9.99 1.30 N +1430 1 CB D PHE 122 ? ? CG D PHE 122 ? ? CD1 D PHE 122 ? ? 126.75 120.80 5.95 0.70 N +1431 1 CG D PHE 122 ? ? CD1 D PHE 122 ? ? CE1 D PHE 122 ? ? 128.68 120.80 7.88 1.10 N +1432 1 CG D PHE 122 ? ? CD2 D PHE 122 ? ? CE2 D PHE 122 ? ? 130.91 120.80 10.11 1.10 N +1433 1 CD1 D PHE 122 ? ? CE1 D PHE 122 ? ? CZ D PHE 122 ? ? 108.96 120.10 -11.14 1.20 N +1434 1 CE1 D PHE 122 ? ? CZ D PHE 122 ? ? CE2 D PHE 122 ? ? 135.68 120.00 15.68 1.80 N +1435 1 CZ D PHE 122 ? ? CE2 D PHE 122 ? ? CD2 D PHE 122 ? ? 106.81 120.10 -13.29 1.20 N +1436 1 CA D VAL 126 ? ? CB D VAL 126 ? ? CG1 D VAL 126 ? ? 100.79 110.90 -10.11 1.50 N +1437 1 CA D VAL 126 ? ? CB D VAL 126 ? ? CG2 D VAL 126 ? ? 94.50 110.90 -16.40 1.50 N +1438 1 O D VAL 126 ? ? C D VAL 126 ? ? N D GLN 127 ? ? 134.41 122.70 11.71 1.60 Y +1439 1 CB D TYR 130 ? ? CG D TYR 130 ? ? CD2 D TYR 130 ? ? 128.33 121.00 7.33 0.60 N +1440 1 CG D TYR 130 ? ? CD1 D TYR 130 ? ? CE1 D TYR 130 ? ? 135.02 121.30 13.72 0.80 N +1441 1 CD1 D TYR 130 ? ? CE1 D TYR 130 ? ? CZ D TYR 130 ? ? 104.80 119.80 -15.00 0.90 N +1442 1 CZ D TYR 130 ? ? CE2 D TYR 130 ? ? CD2 D TYR 130 ? ? 126.37 119.80 6.57 0.90 N +1443 1 OE1 D GLN 131 ? ? CD D GLN 131 ? ? NE2 D GLN 131 ? ? 138.73 121.90 16.83 2.30 N +1444 1 CG D GLN 131 ? ? CD D GLN 131 ? ? OE1 D GLN 131 ? ? 106.49 121.60 -15.11 2.00 N +1445 1 CA D GLN 131 ? ? C D GLN 131 ? ? O D GLN 131 ? ? 133.10 120.10 13.00 2.10 N +1446 1 CD D LYS 132 ? ? CE D LYS 132 ? ? NZ D LYS 132 ? ? 71.58 111.70 -40.12 2.30 N +1447 1 CG1 D VAL 133 ? ? CB D VAL 133 ? ? CG2 D VAL 133 ? ? 126.81 110.90 15.91 1.60 N +1448 1 N D ALA 135 ? ? CA D ALA 135 ? ? CB D ALA 135 ? ? 119.13 110.10 9.03 1.40 N +1449 1 CB D VAL 137 ? ? CA D VAL 137 ? ? C D VAL 137 ? ? 98.11 111.40 -13.29 1.90 N +1450 1 CG1 D VAL 137 ? ? CB D VAL 137 ? ? CG2 D VAL 137 ? ? 121.40 110.90 10.50 1.60 N +1451 1 O D VAL 137 ? ? C D VAL 137 ? ? N D ALA 138 ? ? 107.27 122.70 -15.43 1.60 Y +1452 1 CB D ASN 139 ? ? CG D ASN 139 ? ? OD1 D ASN 139 ? ? 91.23 121.60 -30.37 2.00 N +1453 1 CA D ASN 139 ? ? C D ASN 139 ? ? O D ASN 139 ? ? 133.25 120.10 13.15 2.10 N +1454 1 CD1 D LEU 141 ? ? CG D LEU 141 ? ? CD2 D LEU 141 ? ? 91.91 110.50 -18.59 3.00 N +1455 1 CB D LEU 141 ? ? CG D LEU 141 ? ? CD1 D LEU 141 ? ? 98.77 111.00 -12.23 1.70 N +1456 1 CB D LEU 141 ? ? CG D LEU 141 ? ? CD2 D LEU 141 ? ? 97.96 111.00 -13.04 1.70 N +1457 1 CB D HIS 143 ? ? CG D HIS 143 ? ? CD2 D HIS 143 ? ? 113.24 129.70 -16.46 1.60 N +1458 1 ND1 D HIS 143 ? ? CG D HIS 143 ? ? CD2 D HIS 143 ? ? 118.83 108.80 10.03 1.40 N +1459 1 CG D HIS 143 ? ? ND1 D HIS 143 ? ? CE1 D HIS 143 ? ? 93.37 105.70 -12.33 1.30 N +1460 1 CE1 D HIS 143 ? ? NE2 D HIS 143 ? ? CD2 D HIS 143 ? ? 113.34 109.00 4.34 0.70 N +1461 1 CG D HIS 143 ? ? CD2 D HIS 143 ? ? NE2 D HIS 143 ? ? 92.99 106.70 -13.71 1.20 N +1462 1 O D HIS 143 ? ? C D HIS 143 ? ? N D LYS 144 ? ? 135.70 122.70 13.00 1.60 Y +1463 1 CB D LYS 144 ? ? CA D LYS 144 ? ? C D LYS 144 ? ? 124.69 110.40 14.29 2.00 N +1464 1 N D LYS 144 ? ? CA D LYS 144 ? ? CB D LYS 144 ? ? 122.35 110.60 11.75 1.80 N +1465 1 CG D LYS 144 ? ? CD D LYS 144 ? ? CE D LYS 144 ? ? 135.79 111.90 23.89 3.00 N +1466 1 CD D LYS 144 ? ? CE D LYS 144 ? ? NZ D LYS 144 ? ? 133.89 111.70 22.19 2.30 N +1467 1 O D LYS 144 ? ? C D LYS 144 ? ? N D TYR 145 ? ? 111.13 122.70 -11.57 1.60 Y +1468 1 CB D TYR 145 ? ? CG D TYR 145 ? ? CD2 D TYR 145 ? ? 109.95 121.00 -11.05 0.60 N +1469 1 CB D TYR 145 ? ? CG D TYR 145 ? ? CD1 D TYR 145 ? ? 134.82 121.00 13.82 0.60 N +1470 1 CG D TYR 145 ? ? CD1 D TYR 145 ? ? CE1 D TYR 145 ? ? 131.30 121.30 10.00 0.80 N +1471 1 CG D TYR 145 ? ? CD2 D TYR 145 ? ? CE2 D TYR 145 ? ? 113.88 121.30 -7.42 0.80 N +1472 1 CD1 D TYR 145 ? ? CE1 D TYR 145 ? ? CZ D TYR 145 ? ? 114.03 119.80 -5.77 0.90 N +1473 1 N D HIS 146 ? ? CA D HIS 146 ? ? CB D HIS 146 ? ? 95.37 110.60 -15.23 1.80 N +1474 1 CB D HIS 146 ? ? CG D HIS 146 ? ? CD2 D HIS 146 ? ? 155.87 131.40 24.47 1.20 N +1475 1 ND1 D HIS 146 ? ? CG D HIS 146 ? ? CD2 D HIS 146 ? ? 73.64 106.00 -32.36 1.40 N +1476 1 ND1 D HIS 146 ? ? CE1 D HIS 146 ? ? NE2 D HIS 146 ? ? 132.02 111.50 20.52 1.30 N +1477 1 CE1 D HIS 146 ? ? NE2 D HIS 146 ? ? CD2 D HIS 146 ? ? 73.11 106.60 -33.49 2.50 N +1478 1 CG D HIS 146 ? ? CD2 D HIS 146 ? ? NE2 D HIS 146 ? ? 138.24 109.20 29.04 1.90 N +1479 1 CA D HIS 146 ? ? C D HIS 146 ? ? O D HIS 146 ? ? 136.28 120.10 16.18 2.10 N +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 SER A 3 ? ? -60.78 -176.03 +2 1 LYS A 16 ? ? -1.55 -55.42 +3 1 ALA A 21 ? ? -47.38 -76.55 +4 1 LEU A 48 ? ? -103.92 40.81 +5 1 SER A 52 ? ? -47.77 150.86 +6 1 HIS A 122 ? ? -41.04 -70.13 +7 1 THR B 4 ? ? -55.04 -176.35 +8 1 GLU B 7 ? ? -64.23 -71.41 +9 1 PHE B 45 ? ? -52.07 -9.17 +10 1 ASN B 80 ? ? -142.39 59.75 +11 1 TYR B 145 ? ? -35.62 130.61 +12 1 SER C 3 ? ? -57.25 172.94 +13 1 VAL C 17 ? ? -65.43 -70.33 +14 1 LEU C 48 ? ? -92.57 32.02 +15 1 ASP C 75 ? ? -151.27 72.44 +16 1 LYS C 90 ? ? -122.54 -77.09 +17 1 LEU C 113 ? ? -107.89 71.19 +18 1 LEU D 3 ? ? -100.25 -163.79 +19 1 ASN D 19 ? ? -63.10 94.49 +20 1 GLN D 39 ? ? -67.48 0.49 +21 1 SER D 72 ? ? -40.75 -71.69 +22 1 ASP D 73 ? ? -22.71 -43.08 +23 1 ALA D 76 ? ? -63.28 7.67 +24 1 HIS D 77 ? ? -172.71 62.56 +25 1 LEU D 78 ? ? -25.62 -50.94 +26 1 ASN D 80 ? ? -167.02 85.07 +27 1 HIS D 97 ? ? 76.11 35.29 +# +loop_ +_pdbx_validate_peptide_omega.id +_pdbx_validate_peptide_omega.PDB_model_num +_pdbx_validate_peptide_omega.auth_comp_id_1 +_pdbx_validate_peptide_omega.auth_asym_id_1 +_pdbx_validate_peptide_omega.auth_seq_id_1 +_pdbx_validate_peptide_omega.PDB_ins_code_1 +_pdbx_validate_peptide_omega.label_alt_id_1 +_pdbx_validate_peptide_omega.auth_comp_id_2 +_pdbx_validate_peptide_omega.auth_asym_id_2 +_pdbx_validate_peptide_omega.auth_seq_id_2 +_pdbx_validate_peptide_omega.PDB_ins_code_2 +_pdbx_validate_peptide_omega.label_alt_id_2 +_pdbx_validate_peptide_omega.omega +1 1 GLY A 18 ? ? ALA A 19 ? ? -145.53 +2 1 SER B 49 ? ? THR B 50 ? ? 113.84 +3 1 LEU D 3 ? ? THR D 4 ? ? 148.66 +4 1 VAL D 18 ? ? ASN D 19 ? ? 148.41 +5 1 LEU D 48 ? ? SER D 49 ? ? -144.38 +6 1 SER D 49 ? ? THR D 50 ? ? 143.57 +# +loop_ +_pdbx_validate_chiral.id +_pdbx_validate_chiral.PDB_model_num +_pdbx_validate_chiral.auth_atom_id +_pdbx_validate_chiral.label_alt_id +_pdbx_validate_chiral.auth_asym_id +_pdbx_validate_chiral.auth_comp_id +_pdbx_validate_chiral.auth_seq_id +_pdbx_validate_chiral.PDB_ins_code +_pdbx_validate_chiral.details +_pdbx_validate_chiral.omega +1 1 CB ? A THR 137 ? 'WRONG HAND' . +2 1 CB ? B THR 12 ? PLANAR . +3 1 CB ? B THR 50 ? PLANAR . +4 1 CA ? C ASN 78 ? PLANAR . +5 1 CB ? C THR 118 ? 'WRONG HAND' . +6 1 CA ? D HIS 2 ? PLANAR . +7 1 CA ? D SER 72 ? PLANAR . +8 1 CA ? D ASP 73 ? PLANAR . +9 1 CA ? D LEU 78 ? PLANAR . +10 1 CA ? D LYS 144 ? PLANAR . +# +loop_ +_pdbx_validate_planes.id +_pdbx_validate_planes.PDB_model_num +_pdbx_validate_planes.auth_comp_id +_pdbx_validate_planes.auth_asym_id +_pdbx_validate_planes.auth_seq_id +_pdbx_validate_planes.PDB_ins_code +_pdbx_validate_planes.label_alt_id +_pdbx_validate_planes.rmsd +_pdbx_validate_planes.type +1 1 HIS A 20 ? ? 0.175 'SIDE CHAIN' +2 1 GLU A 23 ? ? 0.248 'SIDE CHAIN' +3 1 TYR A 24 ? ? 0.104 'SIDE CHAIN' +4 1 PHE A 36 ? ? 0.086 'SIDE CHAIN' +5 1 HIS A 45 ? ? 0.112 'SIDE CHAIN' +6 1 HIS A 50 ? ? 0.199 'SIDE CHAIN' +7 1 GLN A 54 ? ? 0.099 'SIDE CHAIN' +8 1 ASP A 64 ? ? 0.137 'SIDE CHAIN' +9 1 HIS A 72 ? ? 0.240 'SIDE CHAIN' +10 1 ASN A 78 ? ? 0.078 'SIDE CHAIN' +11 1 ASP A 85 ? ? 0.088 'SIDE CHAIN' +12 1 ARG A 92 ? ? 0.084 'SIDE CHAIN' +13 1 ASP A 126 ? ? 0.099 'SIDE CHAIN' +14 1 ARG A 141 ? ? 0.084 'SIDE CHAIN' +15 1 HIS B 2 ? ? 0.161 'SIDE CHAIN' +16 1 GLU B 6 ? ? 0.159 'SIDE CHAIN' +17 1 ASN B 19 ? ? 0.077 'SIDE CHAIN' +18 1 ASP B 21 ? ? 0.154 'SIDE CHAIN' +19 1 GLU B 22 ? ? 0.514 'SIDE CHAIN' +20 1 GLU B 26 ? ? 0.375 'SIDE CHAIN' +21 1 ASP B 47 ? ? 0.135 'SIDE CHAIN' +22 1 ASP B 52 ? ? 0.194 'SIDE CHAIN' +23 1 HIS B 63 ? ? 0.110 'SIDE CHAIN' +24 1 ASP B 79 ? ? 0.111 'SIDE CHAIN' +25 1 ASN B 80 ? ? 0.198 'SIDE CHAIN' +26 1 GLU B 90 ? ? 0.147 'SIDE CHAIN' +27 1 ARG B 104 ? ? 0.386 'SIDE CHAIN' +28 1 HIS B 117 ? ? 0.223 'SIDE CHAIN' +29 1 PHE B 118 ? ? 0.130 'SIDE CHAIN' +30 1 GLU B 121 ? ? 0.264 'SIDE CHAIN' +31 1 HIS B 143 ? ? 0.095 'SIDE CHAIN' +32 1 HIS B 146 ? ? 0.307 'SIDE CHAIN' +33 1 ASN C 9 ? ? 0.081 'SIDE CHAIN' +34 1 HIS C 20 ? ? 0.144 'SIDE CHAIN' +35 1 GLU C 23 ? ? 0.301 'SIDE CHAIN' +36 1 HIS C 45 ? ? 0.095 'SIDE CHAIN' +37 1 PHE C 46 ? ? 0.104 'SIDE CHAIN' +38 1 ASP C 47 ? ? 0.154 'SIDE CHAIN' +39 1 ASP C 64 ? ? 0.079 'SIDE CHAIN' +40 1 ASP C 75 ? ? 0.073 'SIDE CHAIN' +41 1 ASN C 78 ? ? 0.112 'SIDE CHAIN' +42 1 ARG C 92 ? ? 0.200 'SIDE CHAIN' +43 1 GLU C 116 ? ? 0.093 'SIDE CHAIN' +44 1 ASP C 126 ? ? 0.111 'SIDE CHAIN' +45 1 ARG C 141 ? ? 0.078 'SIDE CHAIN' +46 1 HIS D 2 ? ? 0.103 'SIDE CHAIN' +47 1 GLU D 6 ? ? 0.165 'SIDE CHAIN' +48 1 GLU D 7 ? ? 0.103 'SIDE CHAIN' +49 1 ASN D 19 ? ? 0.383 'SIDE CHAIN' +50 1 ASP D 21 ? ? 0.177 'SIDE CHAIN' +51 1 GLU D 22 ? ? 0.211 'SIDE CHAIN' +52 1 GLU D 26 ? ? 0.537 'SIDE CHAIN' +53 1 ARG D 40 ? ? 0.124 'SIDE CHAIN' +54 1 GLU D 43 ? ? 0.153 'SIDE CHAIN' +55 1 ASP D 52 ? ? 0.332 'SIDE CHAIN' +56 1 HIS D 63 ? ? 0.182 'SIDE CHAIN' +57 1 HIS D 77 ? ? 0.139 'SIDE CHAIN' +58 1 ASP D 79 ? ? 0.334 'SIDE CHAIN' +59 1 GLU D 90 ? ? 0.345 'SIDE CHAIN' +60 1 HIS D 92 ? ? 0.076 'SIDE CHAIN' +61 1 ASP D 94 ? ? 0.080 'SIDE CHAIN' +62 1 GLU D 101 ? ? 0.105 'SIDE CHAIN' +63 1 ARG D 104 ? ? 0.295 'SIDE CHAIN' +64 1 ASN D 108 ? ? 0.102 'SIDE CHAIN' +65 1 HIS D 117 ? ? 0.080 'SIDE CHAIN' +66 1 PHE D 118 ? ? 0.098 'SIDE CHAIN' +67 1 GLU D 121 ? ? 0.317 'SIDE CHAIN' +68 1 GLN D 127 ? ? 0.072 'SIDE CHAIN' +69 1 ASN D 139 ? ? 0.210 'SIDE CHAIN' +70 1 HIS D 143 ? ? 0.091 'SIDE CHAIN' +71 1 HIS D 146 ? ? 0.100 'SIDE CHAIN' +# +loop_ +_pdbx_validate_main_chain_plane.id +_pdbx_validate_main_chain_plane.PDB_model_num +_pdbx_validate_main_chain_plane.auth_comp_id +_pdbx_validate_main_chain_plane.auth_asym_id +_pdbx_validate_main_chain_plane.auth_seq_id +_pdbx_validate_main_chain_plane.PDB_ins_code +_pdbx_validate_main_chain_plane.label_alt_id +_pdbx_validate_main_chain_plane.improper_torsion_angle +1 1 VAL A 1 ? ? -12.67 +2 1 SER A 3 ? ? -13.97 +3 1 PRO A 4 ? ? -17.03 +4 1 ASN A 9 ? ? 10.02 +5 1 LYS A 11 ? ? -14.61 +6 1 ALA A 12 ? ? -29.90 +7 1 GLY A 15 ? ? 25.11 +8 1 ALA A 19 ? ? -16.93 +9 1 ALA A 21 ? ? 26.58 +10 1 GLY A 22 ? ? 15.67 +11 1 THR A 41 ? ? 10.64 +12 1 PHE A 46 ? ? -11.01 +13 1 LEU A 48 ? ? -25.05 +14 1 SER A 52 ? ? -10.25 +15 1 LYS A 56 ? ? 14.68 +16 1 GLY A 59 ? ? -10.73 +17 1 LYS A 61 ? ? -11.08 +18 1 ALA A 63 ? ? -17.65 +19 1 ASP A 74 ? ? 18.33 +20 1 ASP A 75 ? ? -17.01 +21 1 MET A 76 ? ? -10.25 +22 1 ASN A 78 ? ? -10.99 +23 1 SER A 81 ? ? -10.91 +24 1 ALA A 82 ? ? 11.25 +25 1 LEU A 83 ? ? -10.57 +26 1 ASP A 85 ? ? -12.17 +27 1 ALA A 88 ? ? 11.86 +28 1 LYS A 90 ? ? -14.78 +29 1 ASN A 97 ? ? -10.44 +30 1 LYS A 99 ? ? -15.41 +31 1 LEU A 101 ? ? -11.02 +32 1 ALA A 111 ? ? 10.65 +33 1 PRO A 114 ? ? -12.35 +34 1 THR A 118 ? ? -18.84 +35 1 HIS A 122 ? ? 17.51 +36 1 VAL B 1 ? ? 34.90 +37 1 LEU B 3 ? ? 14.22 +38 1 THR B 4 ? ? -16.95 +39 1 GLU B 7 ? ? 12.88 +40 1 LEU B 14 ? ? 12.18 +41 1 ASP B 21 ? ? -10.64 +42 1 THR B 38 ? ? 14.85 +43 1 GLU B 43 ? ? -24.17 +44 1 SER B 44 ? ? 54.71 +45 1 ASP B 47 ? ? 16.36 +46 1 SER B 49 ? ? -74.48 +47 1 GLY B 56 ? ? -31.34 +48 1 LYS B 59 ? ? -12.58 +49 1 VAL B 60 ? ? 10.99 +50 1 LYS B 61 ? ? -14.98 +51 1 ALA B 62 ? ? 10.48 +52 1 HIS B 63 ? ? -10.21 +53 1 LEU B 78 ? ? -25.61 +54 1 ASP B 79 ? ? 22.49 +55 1 ASN B 80 ? ? -11.79 +56 1 THR B 84 ? ? 10.66 +57 1 GLU B 90 ? ? -10.53 +58 1 PRO B 100 ? ? -11.05 +59 1 GLU B 101 ? ? -10.34 +60 1 LEU B 114 ? ? 12.27 +61 1 THR B 123 ? ? -10.83 +62 1 VAL B 126 ? ? -11.55 +63 1 GLN B 131 ? ? -10.66 +64 1 ASN B 139 ? ? -17.45 +65 1 LEU B 141 ? ? 16.09 +66 1 SER C 3 ? ? -12.01 +67 1 ALA C 5 ? ? 12.74 +68 1 TRP C 14 ? ? -12.08 +69 1 VAL C 17 ? ? 12.35 +70 1 GLY C 18 ? ? -13.66 +71 1 ALA C 21 ? ? -14.11 +72 1 GLY C 25 ? ? -12.76 +73 1 PRO C 44 ? ? -13.48 +74 1 HIS C 45 ? ? 12.45 +75 1 PHE C 46 ? ? -11.87 +76 1 ASP C 47 ? ? 19.28 +77 1 LEU C 48 ? ? -13.66 +78 1 ALA C 69 ? ? 11.77 +79 1 ALA C 71 ? ? 22.20 +80 1 HIS C 72 ? ? 13.20 +81 1 ASP C 74 ? ? 12.28 +82 1 ASP C 75 ? ? -23.65 +83 1 LEU C 80 ? ? -11.13 +84 1 LEU C 83 ? ? -10.02 +85 1 ALA C 88 ? ? 13.90 +86 1 PRO C 95 ? ? -13.46 +87 1 LEU C 109 ? ? 16.41 +88 1 ALA C 110 ? ? 13.99 +89 1 ALA C 111 ? ? 15.44 +90 1 HIS C 112 ? ? 15.15 +91 1 LEU C 113 ? ? -20.93 +92 1 PRO C 114 ? ? -32.95 +93 1 GLU C 116 ? ? -12.28 +94 1 PRO C 119 ? ? 11.38 +95 1 LEU C 125 ? ? -10.18 +96 1 VAL C 135 ? ? 14.69 +97 1 SER C 138 ? ? 10.61 +98 1 VAL D 1 ? ? -18.81 +99 1 HIS D 2 ? ? -12.80 +100 1 LEU D 3 ? ? -69.38 +101 1 PRO D 5 ? ? -10.97 +102 1 LYS D 8 ? ? -16.55 +103 1 LYS D 17 ? ? 10.50 +104 1 ASP D 21 ? ? -17.94 +105 1 GLU D 22 ? ? 23.45 +106 1 VAL D 33 ? ? 10.98 +107 1 VAL D 34 ? ? 11.45 +108 1 PHE D 42 ? ? 10.17 +109 1 GLY D 46 ? ? -18.78 +110 1 LEU D 48 ? ? 13.68 +111 1 SER D 49 ? ? -21.45 +112 1 ASP D 52 ? ? 12.37 +113 1 GLY D 56 ? ? 17.15 +114 1 VAL D 60 ? ? 10.38 +115 1 GLY D 64 ? ? -10.32 +116 1 LYS D 66 ? ? 16.86 +117 1 ASP D 73 ? ? -11.35 +118 1 LEU D 75 ? ? 15.45 +119 1 ALA D 76 ? ? -28.03 +120 1 ASP D 79 ? ? -15.12 +121 1 ASN D 80 ? ? -17.80 +122 1 GLY D 83 ? ? -24.31 +123 1 THR D 84 ? ? 22.99 +124 1 HIS D 92 ? ? -12.20 +125 1 LEU D 96 ? ? 11.44 +126 1 HIS D 117 ? ? 12.21 +127 1 LYS D 120 ? ? -25.39 +128 1 VAL D 137 ? ? -19.80 +129 1 LYS D 144 ? ? 17.04 +# +loop_ +_pdbx_validate_polymer_linkage.id +_pdbx_validate_polymer_linkage.PDB_model_num +_pdbx_validate_polymer_linkage.auth_atom_id_1 +_pdbx_validate_polymer_linkage.auth_asym_id_1 +_pdbx_validate_polymer_linkage.auth_comp_id_1 +_pdbx_validate_polymer_linkage.auth_seq_id_1 +_pdbx_validate_polymer_linkage.PDB_ins_code_1 +_pdbx_validate_polymer_linkage.label_alt_id_1 +_pdbx_validate_polymer_linkage.auth_atom_id_2 +_pdbx_validate_polymer_linkage.auth_asym_id_2 +_pdbx_validate_polymer_linkage.auth_comp_id_2 +_pdbx_validate_polymer_linkage.auth_seq_id_2 +_pdbx_validate_polymer_linkage.PDB_ins_code_2 +_pdbx_validate_polymer_linkage.label_alt_id_2 +_pdbx_validate_polymer_linkage.dist +1 1 C A LEU 2 ? ? N A SER 3 ? ? 1.02 +2 1 C A SER 3 ? ? N A PRO 4 ? ? 1.62 +3 1 C A GLY 15 ? ? N A LYS 16 ? ? 0.92 +4 1 C A PRO 44 ? ? N A HIS 45 ? ? 1.19 +5 1 C A HIS 45 ? ? N A PHE 46 ? ? 1.62 +6 1 C A ASP 47 ? ? N A LEU 48 ? ? 1.13 +7 1 C A HIS 50 ? ? N A GLY 51 ? ? 0.96 +8 1 C A ASP 74 ? ? N A ASP 75 ? ? 0.92 +9 1 C A ALA 120 ? ? N A VAL 121 ? ? 1.17 +10 1 C A LYS 127 ? ? N A PHE 128 ? ? 1.16 +11 1 C B VAL 1 ? ? N B HIS 2 ? ? 0.79 +12 1 C B HIS 2 ? ? N B LEU 3 ? ? 1.12 +13 1 C B GLU 6 ? ? N B GLU 7 ? ? 1.20 +14 1 C B ARG 40 ? ? N B PHE 41 ? ? 1.13 +15 1 C B GLY 46 ? ? N B ASP 47 ? ? 1.07 +16 1 C B PHE 71 ? ? N B SER 72 ? ? 1.05 +17 1 C B GLY 74 ? ? N B LEU 75 ? ? 1.70 +18 1 C B ALA 76 ? ? N B HIS 77 ? ? 1.64 +19 1 C B LEU 81 ? ? N B LYS 82 ? ? 1.66 +20 1 C B THR 123 ? ? N B PRO 124 ? ? 1.19 +21 1 C B PRO 124 ? ? N B PRO 125 ? ? 1.20 +22 1 C B ALA 142 ? ? N B HIS 143 ? ? 1.15 +23 1 C B TYR 145 ? ? N B HIS 146 ? ? 0.97 +24 1 C C LEU 2 ? ? N C SER 3 ? ? 1.20 +25 1 C C GLY 15 ? ? N C LYS 16 ? ? 1.09 +26 1 C C ALA 21 ? ? N C GLY 22 ? ? 1.17 +27 1 C C PRO 44 ? ? N C HIS 45 ? ? 1.11 +28 1 C C VAL 70 ? ? N C ALA 71 ? ? 0.99 +29 1 C C ALA 82 ? ? N C LEU 83 ? ? 1.69 +30 1 C C HIS 112 ? ? N C LEU 113 ? ? 1.17 +31 1 C C THR 118 ? ? N C PRO 119 ? ? 1.07 +32 1 C C SER 133 ? ? N C THR 134 ? ? 1.18 +33 1 C D VAL 1 ? ? N D HIS 2 ? ? 1.18 +34 1 C D THR 4 ? ? N D PRO 5 ? ? 0.97 +35 1 C D GLU 7 ? ? N D LYS 8 ? ? 1.18 +36 1 C D LYS 17 ? ? N D VAL 18 ? ? 1.61 +37 1 C D VAL 18 ? ? N D ASN 19 ? ? 1.18 +38 1 C D ASN 19 ? ? N D VAL 20 ? ? 1.15 +39 1 C D ARG 30 ? ? N D LEU 31 ? ? 1.19 +40 1 C D PHE 45 ? ? N D GLY 46 ? ? 0.87 +41 1 C D ASP 47 ? ? N D LEU 48 ? ? 1.19 +42 1 C D PRO 58 ? ? N D LYS 59 ? ? 1.16 +43 1 C D ASP 73 ? ? N D GLY 74 ? ? 1.61 +44 1 C D LYS 95 ? ? N D LEU 96 ? ? 1.64 +45 1 C D ALA 140 ? ? N D LEU 141 ? ? 1.20 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +ALA N N N N 1 +ALA CA C N S 2 +ALA C C N N 3 +ALA O O N N 4 +ALA CB C N N 5 +ALA OXT O N N 6 +ALA H H N N 7 +ALA H2 H N N 8 +ALA HA H N N 9 +ALA HB1 H N N 10 +ALA HB2 H N N 11 +ALA HB3 H N N 12 +ALA HXT H N N 13 +ARG N N N N 14 +ARG CA C N S 15 +ARG C C N N 16 +ARG O O N N 17 +ARG CB C N N 18 +ARG CG C N N 19 +ARG CD C N N 20 +ARG NE N N N 21 +ARG CZ C N N 22 +ARG NH1 N N N 23 +ARG NH2 N N N 24 +ARG OXT O N N 25 +ARG H H N N 26 +ARG H2 H N N 27 +ARG HA H N N 28 +ARG HB2 H N N 29 +ARG HB3 H N N 30 +ARG HG2 H N N 31 +ARG HG3 H N N 32 +ARG HD2 H N N 33 +ARG HD3 H N N 34 +ARG HE H N N 35 +ARG HH11 H N N 36 +ARG HH12 H N N 37 +ARG HH21 H N N 38 +ARG HH22 H N N 39 +ARG HXT H N N 40 +ASN N N N N 41 +ASN CA C N S 42 +ASN C C N N 43 +ASN O O N N 44 +ASN CB C N N 45 +ASN CG C N N 46 +ASN OD1 O N N 47 +ASN ND2 N N N 48 +ASN OXT O N N 49 +ASN H H N N 50 +ASN H2 H N N 51 +ASN HA H N N 52 +ASN HB2 H N N 53 +ASN HB3 H N N 54 +ASN HD21 H N N 55 +ASN HD22 H N N 56 +ASN HXT H N N 57 +ASP N N N N 58 +ASP CA C N S 59 +ASP C C N N 60 +ASP O O N N 61 +ASP CB C N N 62 +ASP CG C N N 63 +ASP OD1 O N N 64 +ASP OD2 O N N 65 +ASP OXT O N N 66 +ASP H H N N 67 +ASP H2 H N N 68 +ASP HA H N N 69 +ASP HB2 H N N 70 +ASP HB3 H N N 71 +ASP HD2 H N N 72 +ASP HXT H N N 73 +CYS N N N N 74 +CYS CA C N R 75 +CYS C C N N 76 +CYS O O N N 77 +CYS CB C N N 78 +CYS SG S N N 79 +CYS OXT O N N 80 +CYS H H N N 81 +CYS H2 H N N 82 +CYS HA H N N 83 +CYS HB2 H N N 84 +CYS HB3 H N N 85 +CYS HG H N N 86 +CYS HXT H N N 87 +GLN N N N N 88 +GLN CA C N S 89 +GLN C C N N 90 +GLN O O N N 91 +GLN CB C N N 92 +GLN CG C N N 93 +GLN CD C N N 94 +GLN OE1 O N N 95 +GLN NE2 N N N 96 +GLN OXT O N N 97 +GLN H H N N 98 +GLN H2 H N N 99 +GLN HA H N N 100 +GLN HB2 H N N 101 +GLN HB3 H N N 102 +GLN HG2 H N N 103 +GLN HG3 H N N 104 +GLN HE21 H N N 105 +GLN HE22 H N N 106 +GLN HXT H N N 107 +GLU N N N N 108 +GLU CA C N S 109 +GLU C C N N 110 +GLU O O N N 111 +GLU CB C N N 112 +GLU CG C N N 113 +GLU CD C N N 114 +GLU OE1 O N N 115 +GLU OE2 O N N 116 +GLU OXT O N N 117 +GLU H H N N 118 +GLU H2 H N N 119 +GLU HA H N N 120 +GLU HB2 H N N 121 +GLU HB3 H N N 122 +GLU HG2 H N N 123 +GLU HG3 H N N 124 +GLU HE2 H N N 125 +GLU HXT H N N 126 +GLY N N N N 127 +GLY CA C N N 128 +GLY C C N N 129 +GLY O O N N 130 +GLY OXT O N N 131 +GLY H H N N 132 +GLY H2 H N N 133 +GLY HA2 H N N 134 +GLY HA3 H N N 135 +GLY HXT H N N 136 +HEM CHA C N N 137 +HEM CHB C N N 138 +HEM CHC C N N 139 +HEM CHD C N N 140 +HEM C1A C Y N 141 +HEM C2A C Y N 142 +HEM C3A C Y N 143 +HEM C4A C Y N 144 +HEM CMA C N N 145 +HEM CAA C N N 146 +HEM CBA C N N 147 +HEM CGA C N N 148 +HEM O1A O N N 149 +HEM O2A O N N 150 +HEM C1B C N N 151 +HEM C2B C N N 152 +HEM C3B C N N 153 +HEM C4B C N N 154 +HEM CMB C N N 155 +HEM CAB C N N 156 +HEM CBB C N N 157 +HEM C1C C Y N 158 +HEM C2C C Y N 159 +HEM C3C C Y N 160 +HEM C4C C Y N 161 +HEM CMC C N N 162 +HEM CAC C N N 163 +HEM CBC C N N 164 +HEM C1D C N N 165 +HEM C2D C N N 166 +HEM C3D C N N 167 +HEM C4D C N N 168 +HEM CMD C N N 169 +HEM CAD C N N 170 +HEM CBD C N N 171 +HEM CGD C N N 172 +HEM O1D O N N 173 +HEM O2D O N N 174 +HEM NA N Y N 175 +HEM NB N N N 176 +HEM NC N Y N 177 +HEM ND N N N 178 +HEM FE FE N N 179 +HEM HHB H N N 180 +HEM HHC H N N 181 +HEM HHD H N N 182 +HEM HMA H N N 183 +HEM HMAA H N N 184 +HEM HMAB H N N 185 +HEM HAA H N N 186 +HEM HAAA H N N 187 +HEM HBA H N N 188 +HEM HBAA H N N 189 +HEM HMB H N N 190 +HEM HMBA H N N 191 +HEM HMBB H N N 192 +HEM HAB H N N 193 +HEM HBB H N N 194 +HEM HBBA H N N 195 +HEM HMC H N N 196 +HEM HMCA H N N 197 +HEM HMCB H N N 198 +HEM HAC H N N 199 +HEM HBC H N N 200 +HEM HBCA H N N 201 +HEM HMD H N N 202 +HEM HMDA H N N 203 +HEM HMDB H N N 204 +HEM HAD H N N 205 +HEM HADA H N N 206 +HEM HBD H N N 207 +HEM HBDA H N N 208 +HEM H2A H N N 209 +HEM H2D H N N 210 +HEM HHA H N N 211 +HIS N N N N 212 +HIS CA C N S 213 +HIS C C N N 214 +HIS O O N N 215 +HIS CB C N N 216 +HIS CG C Y N 217 +HIS ND1 N Y N 218 +HIS CD2 C Y N 219 +HIS CE1 C Y N 220 +HIS NE2 N Y N 221 +HIS OXT O N N 222 +HIS H H N N 223 +HIS H2 H N N 224 +HIS HA H N N 225 +HIS HB2 H N N 226 +HIS HB3 H N N 227 +HIS HD1 H N N 228 +HIS HD2 H N N 229 +HIS HE1 H N N 230 +HIS HE2 H N N 231 +HIS HXT H N N 232 +HOH O O N N 233 +HOH H1 H N N 234 +HOH H2 H N N 235 +LEU N N N N 236 +LEU CA C N S 237 +LEU C C N N 238 +LEU O O N N 239 +LEU CB C N N 240 +LEU CG C N N 241 +LEU CD1 C N N 242 +LEU CD2 C N N 243 +LEU OXT O N N 244 +LEU H H N N 245 +LEU H2 H N N 246 +LEU HA H N N 247 +LEU HB2 H N N 248 +LEU HB3 H N N 249 +LEU HG H N N 250 +LEU HD11 H N N 251 +LEU HD12 H N N 252 +LEU HD13 H N N 253 +LEU HD21 H N N 254 +LEU HD22 H N N 255 +LEU HD23 H N N 256 +LEU HXT H N N 257 +LYS N N N N 258 +LYS CA C N S 259 +LYS C C N N 260 +LYS O O N N 261 +LYS CB C N N 262 +LYS CG C N N 263 +LYS CD C N N 264 +LYS CE C N N 265 +LYS NZ N N N 266 +LYS OXT O N N 267 +LYS H H N N 268 +LYS H2 H N N 269 +LYS HA H N N 270 +LYS HB2 H N N 271 +LYS HB3 H N N 272 +LYS HG2 H N N 273 +LYS HG3 H N N 274 +LYS HD2 H N N 275 +LYS HD3 H N N 276 +LYS HE2 H N N 277 +LYS HE3 H N N 278 +LYS HZ1 H N N 279 +LYS HZ2 H N N 280 +LYS HZ3 H N N 281 +LYS HXT H N N 282 +MET N N N N 283 +MET CA C N S 284 +MET C C N N 285 +MET O O N N 286 +MET CB C N N 287 +MET CG C N N 288 +MET SD S N N 289 +MET CE C N N 290 +MET OXT O N N 291 +MET H H N N 292 +MET H2 H N N 293 +MET HA H N N 294 +MET HB2 H N N 295 +MET HB3 H N N 296 +MET HG2 H N N 297 +MET HG3 H N N 298 +MET HE1 H N N 299 +MET HE2 H N N 300 +MET HE3 H N N 301 +MET HXT H N N 302 +PHE N N N N 303 +PHE CA C N S 304 +PHE C C N N 305 +PHE O O N N 306 +PHE CB C N N 307 +PHE CG C Y N 308 +PHE CD1 C Y N 309 +PHE CD2 C Y N 310 +PHE CE1 C Y N 311 +PHE CE2 C Y N 312 +PHE CZ C Y N 313 +PHE OXT O N N 314 +PHE H H N N 315 +PHE H2 H N N 316 +PHE HA H N N 317 +PHE HB2 H N N 318 +PHE HB3 H N N 319 +PHE HD1 H N N 320 +PHE HD2 H N N 321 +PHE HE1 H N N 322 +PHE HE2 H N N 323 +PHE HZ H N N 324 +PHE HXT H N N 325 +PO4 P P N N 326 +PO4 O1 O N N 327 +PO4 O2 O N N 328 +PO4 O3 O N N 329 +PO4 O4 O N N 330 +PRO N N N N 331 +PRO CA C N S 332 +PRO C C N N 333 +PRO O O N N 334 +PRO CB C N N 335 +PRO CG C N N 336 +PRO CD C N N 337 +PRO OXT O N N 338 +PRO H H N N 339 +PRO HA H N N 340 +PRO HB2 H N N 341 +PRO HB3 H N N 342 +PRO HG2 H N N 343 +PRO HG3 H N N 344 +PRO HD2 H N N 345 +PRO HD3 H N N 346 +PRO HXT H N N 347 +SER N N N N 348 +SER CA C N S 349 +SER C C N N 350 +SER O O N N 351 +SER CB C N N 352 +SER OG O N N 353 +SER OXT O N N 354 +SER H H N N 355 +SER H2 H N N 356 +SER HA H N N 357 +SER HB2 H N N 358 +SER HB3 H N N 359 +SER HG H N N 360 +SER HXT H N N 361 +THR N N N N 362 +THR CA C N S 363 +THR C C N N 364 +THR O O N N 365 +THR CB C N R 366 +THR OG1 O N N 367 +THR CG2 C N N 368 +THR OXT O N N 369 +THR H H N N 370 +THR H2 H N N 371 +THR HA H N N 372 +THR HB H N N 373 +THR HG1 H N N 374 +THR HG21 H N N 375 +THR HG22 H N N 376 +THR HG23 H N N 377 +THR HXT H N N 378 +TRP N N N N 379 +TRP CA C N S 380 +TRP C C N N 381 +TRP O O N N 382 +TRP CB C N N 383 +TRP CG C Y N 384 +TRP CD1 C Y N 385 +TRP CD2 C Y N 386 +TRP NE1 N Y N 387 +TRP CE2 C Y N 388 +TRP CE3 C Y N 389 +TRP CZ2 C Y N 390 +TRP CZ3 C Y N 391 +TRP CH2 C Y N 392 +TRP OXT O N N 393 +TRP H H N N 394 +TRP H2 H N N 395 +TRP HA H N N 396 +TRP HB2 H N N 397 +TRP HB3 H N N 398 +TRP HD1 H N N 399 +TRP HE1 H N N 400 +TRP HE3 H N N 401 +TRP HZ2 H N N 402 +TRP HZ3 H N N 403 +TRP HH2 H N N 404 +TRP HXT H N N 405 +TYR N N N N 406 +TYR CA C N S 407 +TYR C C N N 408 +TYR O O N N 409 +TYR CB C N N 410 +TYR CG C Y N 411 +TYR CD1 C Y N 412 +TYR CD2 C Y N 413 +TYR CE1 C Y N 414 +TYR CE2 C Y N 415 +TYR CZ C Y N 416 +TYR OH O N N 417 +TYR OXT O N N 418 +TYR H H N N 419 +TYR H2 H N N 420 +TYR HA H N N 421 +TYR HB2 H N N 422 +TYR HB3 H N N 423 +TYR HD1 H N N 424 +TYR HD2 H N N 425 +TYR HE1 H N N 426 +TYR HE2 H N N 427 +TYR HH H N N 428 +TYR HXT H N N 429 +VAL N N N N 430 +VAL CA C N S 431 +VAL C C N N 432 +VAL O O N N 433 +VAL CB C N N 434 +VAL CG1 C N N 435 +VAL CG2 C N N 436 +VAL OXT O N N 437 +VAL H H N N 438 +VAL H2 H N N 439 +VAL HA H N N 440 +VAL HB H N N 441 +VAL HG11 H N N 442 +VAL HG12 H N N 443 +VAL HG13 H N N 444 +VAL HG21 H N N 445 +VAL HG22 H N N 446 +VAL HG23 H N N 447 +VAL HXT H N N 448 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +ALA N CA sing N N 1 +ALA N H sing N N 2 +ALA N H2 sing N N 3 +ALA CA C sing N N 4 +ALA CA CB sing N N 5 +ALA CA HA sing N N 6 +ALA C O doub N N 7 +ALA C OXT sing N N 8 +ALA CB HB1 sing N N 9 +ALA CB HB2 sing N N 10 +ALA CB HB3 sing N N 11 +ALA OXT HXT sing N N 12 +ARG N CA sing N N 13 +ARG N H sing N N 14 +ARG N H2 sing N N 15 +ARG CA C sing N N 16 +ARG CA CB sing N N 17 +ARG CA HA sing N N 18 +ARG C O doub N N 19 +ARG C OXT sing N N 20 +ARG CB CG sing N N 21 +ARG CB HB2 sing N N 22 +ARG CB HB3 sing N N 23 +ARG CG CD sing N N 24 +ARG CG HG2 sing N N 25 +ARG CG HG3 sing N N 26 +ARG CD NE sing N N 27 +ARG CD HD2 sing N N 28 +ARG CD HD3 sing N N 29 +ARG NE CZ sing N N 30 +ARG NE HE sing N N 31 +ARG CZ NH1 sing N N 32 +ARG CZ NH2 doub N N 33 +ARG NH1 HH11 sing N N 34 +ARG NH1 HH12 sing N N 35 +ARG NH2 HH21 sing N N 36 +ARG NH2 HH22 sing N N 37 +ARG OXT HXT sing N N 38 +ASN N CA sing N N 39 +ASN N H sing N N 40 +ASN N H2 sing N N 41 +ASN CA C sing N N 42 +ASN CA CB sing N N 43 +ASN CA HA sing N N 44 +ASN C O doub N N 45 +ASN C OXT sing N N 46 +ASN CB CG sing N N 47 +ASN CB HB2 sing N N 48 +ASN CB HB3 sing N N 49 +ASN CG OD1 doub N N 50 +ASN CG ND2 sing N N 51 +ASN ND2 HD21 sing N N 52 +ASN ND2 HD22 sing N N 53 +ASN OXT HXT sing N N 54 +ASP N CA sing N N 55 +ASP N H sing N N 56 +ASP N H2 sing N N 57 +ASP CA C sing N N 58 +ASP CA CB sing N N 59 +ASP CA HA sing N N 60 +ASP C O doub N N 61 +ASP C OXT sing N N 62 +ASP CB CG sing N N 63 +ASP CB HB2 sing N N 64 +ASP CB HB3 sing N N 65 +ASP CG OD1 doub N N 66 +ASP CG OD2 sing N N 67 +ASP OD2 HD2 sing N N 68 +ASP OXT HXT sing N N 69 +CYS N CA sing N N 70 +CYS N H sing N N 71 +CYS N H2 sing N N 72 +CYS CA C sing N N 73 +CYS CA CB sing N N 74 +CYS CA HA sing N N 75 +CYS C O doub N N 76 +CYS C OXT sing N N 77 +CYS CB SG sing N N 78 +CYS CB HB2 sing N N 79 +CYS CB HB3 sing N N 80 +CYS SG HG sing N N 81 +CYS OXT HXT sing N N 82 +GLN N CA sing N N 83 +GLN N H sing N N 84 +GLN N H2 sing N N 85 +GLN CA C sing N N 86 +GLN CA CB sing N N 87 +GLN CA HA sing N N 88 +GLN C O doub N N 89 +GLN C OXT sing N N 90 +GLN CB CG sing N N 91 +GLN CB HB2 sing N N 92 +GLN CB HB3 sing N N 93 +GLN CG CD sing N N 94 +GLN CG HG2 sing N N 95 +GLN CG HG3 sing N N 96 +GLN CD OE1 doub N N 97 +GLN CD NE2 sing N N 98 +GLN NE2 HE21 sing N N 99 +GLN NE2 HE22 sing N N 100 +GLN OXT HXT sing N N 101 +GLU N CA sing N N 102 +GLU N H sing N N 103 +GLU N H2 sing N N 104 +GLU CA C sing N N 105 +GLU CA CB sing N N 106 +GLU CA HA sing N N 107 +GLU C O doub N N 108 +GLU C OXT sing N N 109 +GLU CB CG sing N N 110 +GLU CB HB2 sing N N 111 +GLU CB HB3 sing N N 112 +GLU CG CD sing N N 113 +GLU CG HG2 sing N N 114 +GLU CG HG3 sing N N 115 +GLU CD OE1 doub N N 116 +GLU CD OE2 sing N N 117 +GLU OE2 HE2 sing N N 118 +GLU OXT HXT sing N N 119 +GLY N CA sing N N 120 +GLY N H sing N N 121 +GLY N H2 sing N N 122 +GLY CA C sing N N 123 +GLY CA HA2 sing N N 124 +GLY CA HA3 sing N N 125 +GLY C O doub N N 126 +GLY C OXT sing N N 127 +GLY OXT HXT sing N N 128 +HEM CHA C1A sing N N 129 +HEM CHA C4D doub N N 130 +HEM CHA HHA sing N N 131 +HEM CHB C4A sing N N 132 +HEM CHB C1B doub N N 133 +HEM CHB HHB sing N N 134 +HEM CHC C4B sing N N 135 +HEM CHC C1C doub N N 136 +HEM CHC HHC sing N N 137 +HEM CHD C4C doub N N 138 +HEM CHD C1D sing N N 139 +HEM CHD HHD sing N N 140 +HEM C1A C2A doub Y N 141 +HEM C1A NA sing Y N 142 +HEM C2A C3A sing Y N 143 +HEM C2A CAA sing N N 144 +HEM C3A C4A doub Y N 145 +HEM C3A CMA sing N N 146 +HEM C4A NA sing Y N 147 +HEM CMA HMA sing N N 148 +HEM CMA HMAA sing N N 149 +HEM CMA HMAB sing N N 150 +HEM CAA CBA sing N N 151 +HEM CAA HAA sing N N 152 +HEM CAA HAAA sing N N 153 +HEM CBA CGA sing N N 154 +HEM CBA HBA sing N N 155 +HEM CBA HBAA sing N N 156 +HEM CGA O1A doub N N 157 +HEM CGA O2A sing N N 158 +HEM C1B C2B sing N N 159 +HEM C1B NB sing N N 160 +HEM C2B C3B doub N N 161 +HEM C2B CMB sing N N 162 +HEM C3B C4B sing N N 163 +HEM C3B CAB sing N N 164 +HEM C4B NB doub N N 165 +HEM CMB HMB sing N N 166 +HEM CMB HMBA sing N N 167 +HEM CMB HMBB sing N N 168 +HEM CAB CBB doub N N 169 +HEM CAB HAB sing N N 170 +HEM CBB HBB sing N N 171 +HEM CBB HBBA sing N N 172 +HEM C1C C2C sing Y N 173 +HEM C1C NC sing Y N 174 +HEM C2C C3C doub Y N 175 +HEM C2C CMC sing N N 176 +HEM C3C C4C sing Y N 177 +HEM C3C CAC sing N N 178 +HEM C4C NC sing Y N 179 +HEM CMC HMC sing N N 180 +HEM CMC HMCA sing N N 181 +HEM CMC HMCB sing N N 182 +HEM CAC CBC doub N N 183 +HEM CAC HAC sing N N 184 +HEM CBC HBC sing N N 185 +HEM CBC HBCA sing N N 186 +HEM C1D C2D sing N N 187 +HEM C1D ND doub N N 188 +HEM C2D C3D doub N N 189 +HEM C2D CMD sing N N 190 +HEM C3D C4D sing N N 191 +HEM C3D CAD sing N N 192 +HEM C4D ND sing N N 193 +HEM CMD HMD sing N N 194 +HEM CMD HMDA sing N N 195 +HEM CMD HMDB sing N N 196 +HEM CAD CBD sing N N 197 +HEM CAD HAD sing N N 198 +HEM CAD HADA sing N N 199 +HEM CBD CGD sing N N 200 +HEM CBD HBD sing N N 201 +HEM CBD HBDA sing N N 202 +HEM CGD O1D doub N N 203 +HEM CGD O2D sing N N 204 +HEM O2A H2A sing N N 205 +HEM O2D H2D sing N N 206 +HEM FE NA sing N N 207 +HEM FE NB sing N N 208 +HEM FE NC sing N N 209 +HEM FE ND sing N N 210 +HIS N CA sing N N 211 +HIS N H sing N N 212 +HIS N H2 sing N N 213 +HIS CA C sing N N 214 +HIS CA CB sing N N 215 +HIS CA HA sing N N 216 +HIS C O doub N N 217 +HIS C OXT sing N N 218 +HIS CB CG sing N N 219 +HIS CB HB2 sing N N 220 +HIS CB HB3 sing N N 221 +HIS CG ND1 sing Y N 222 +HIS CG CD2 doub Y N 223 +HIS ND1 CE1 doub Y N 224 +HIS ND1 HD1 sing N N 225 +HIS CD2 NE2 sing Y N 226 +HIS CD2 HD2 sing N N 227 +HIS CE1 NE2 sing Y N 228 +HIS CE1 HE1 sing N N 229 +HIS NE2 HE2 sing N N 230 +HIS OXT HXT sing N N 231 +HOH O H1 sing N N 232 +HOH O H2 sing N N 233 +LEU N CA sing N N 234 +LEU N H sing N N 235 +LEU N H2 sing N N 236 +LEU CA C sing N N 237 +LEU CA CB sing N N 238 +LEU CA HA sing N N 239 +LEU C O doub N N 240 +LEU C OXT sing N N 241 +LEU CB CG sing N N 242 +LEU CB HB2 sing N N 243 +LEU CB HB3 sing N N 244 +LEU CG CD1 sing N N 245 +LEU CG CD2 sing N N 246 +LEU CG HG sing N N 247 +LEU CD1 HD11 sing N N 248 +LEU CD1 HD12 sing N N 249 +LEU CD1 HD13 sing N N 250 +LEU CD2 HD21 sing N N 251 +LEU CD2 HD22 sing N N 252 +LEU CD2 HD23 sing N N 253 +LEU OXT HXT sing N N 254 +LYS N CA sing N N 255 +LYS N H sing N N 256 +LYS N H2 sing N N 257 +LYS CA C sing N N 258 +LYS CA CB sing N N 259 +LYS CA HA sing N N 260 +LYS C O doub N N 261 +LYS C OXT sing N N 262 +LYS CB CG sing N N 263 +LYS CB HB2 sing N N 264 +LYS CB HB3 sing N N 265 +LYS CG CD sing N N 266 +LYS CG HG2 sing N N 267 +LYS CG HG3 sing N N 268 +LYS CD CE sing N N 269 +LYS CD HD2 sing N N 270 +LYS CD HD3 sing N N 271 +LYS CE NZ sing N N 272 +LYS CE HE2 sing N N 273 +LYS CE HE3 sing N N 274 +LYS NZ HZ1 sing N N 275 +LYS NZ HZ2 sing N N 276 +LYS NZ HZ3 sing N N 277 +LYS OXT HXT sing N N 278 +MET N CA sing N N 279 +MET N H sing N N 280 +MET N H2 sing N N 281 +MET CA C sing N N 282 +MET CA CB sing N N 283 +MET CA HA sing N N 284 +MET C O doub N N 285 +MET C OXT sing N N 286 +MET CB CG sing N N 287 +MET CB HB2 sing N N 288 +MET CB HB3 sing N N 289 +MET CG SD sing N N 290 +MET CG HG2 sing N N 291 +MET CG HG3 sing N N 292 +MET SD CE sing N N 293 +MET CE HE1 sing N N 294 +MET CE HE2 sing N N 295 +MET CE HE3 sing N N 296 +MET OXT HXT sing N N 297 +PHE N CA sing N N 298 +PHE N H sing N N 299 +PHE N H2 sing N N 300 +PHE CA C sing N N 301 +PHE CA CB sing N N 302 +PHE CA HA sing N N 303 +PHE C O doub N N 304 +PHE C OXT sing N N 305 +PHE CB CG sing N N 306 +PHE CB HB2 sing N N 307 +PHE CB HB3 sing N N 308 +PHE CG CD1 doub Y N 309 +PHE CG CD2 sing Y N 310 +PHE CD1 CE1 sing Y N 311 +PHE CD1 HD1 sing N N 312 +PHE CD2 CE2 doub Y N 313 +PHE CD2 HD2 sing N N 314 +PHE CE1 CZ doub Y N 315 +PHE CE1 HE1 sing N N 316 +PHE CE2 CZ sing Y N 317 +PHE CE2 HE2 sing N N 318 +PHE CZ HZ sing N N 319 +PHE OXT HXT sing N N 320 +PO4 P O1 doub N N 321 +PO4 P O2 sing N N 322 +PO4 P O3 sing N N 323 +PO4 P O4 sing N N 324 +PRO N CA sing N N 325 +PRO N CD sing N N 326 +PRO N H sing N N 327 +PRO CA C sing N N 328 +PRO CA CB sing N N 329 +PRO CA HA sing N N 330 +PRO C O doub N N 331 +PRO C OXT sing N N 332 +PRO CB CG sing N N 333 +PRO CB HB2 sing N N 334 +PRO CB HB3 sing N N 335 +PRO CG CD sing N N 336 +PRO CG HG2 sing N N 337 +PRO CG HG3 sing N N 338 +PRO CD HD2 sing N N 339 +PRO CD HD3 sing N N 340 +PRO OXT HXT sing N N 341 +SER N CA sing N N 342 +SER N H sing N N 343 +SER N H2 sing N N 344 +SER CA C sing N N 345 +SER CA CB sing N N 346 +SER CA HA sing N N 347 +SER C O doub N N 348 +SER C OXT sing N N 349 +SER CB OG sing N N 350 +SER CB HB2 sing N N 351 +SER CB HB3 sing N N 352 +SER OG HG sing N N 353 +SER OXT HXT sing N N 354 +THR N CA sing N N 355 +THR N H sing N N 356 +THR N H2 sing N N 357 +THR CA C sing N N 358 +THR CA CB sing N N 359 +THR CA HA sing N N 360 +THR C O doub N N 361 +THR C OXT sing N N 362 +THR CB OG1 sing N N 363 +THR CB CG2 sing N N 364 +THR CB HB sing N N 365 +THR OG1 HG1 sing N N 366 +THR CG2 HG21 sing N N 367 +THR CG2 HG22 sing N N 368 +THR CG2 HG23 sing N N 369 +THR OXT HXT sing N N 370 +TRP N CA sing N N 371 +TRP N H sing N N 372 +TRP N H2 sing N N 373 +TRP CA C sing N N 374 +TRP CA CB sing N N 375 +TRP CA HA sing N N 376 +TRP C O doub N N 377 +TRP C OXT sing N N 378 +TRP CB CG sing N N 379 +TRP CB HB2 sing N N 380 +TRP CB HB3 sing N N 381 +TRP CG CD1 doub Y N 382 +TRP CG CD2 sing Y N 383 +TRP CD1 NE1 sing Y N 384 +TRP CD1 HD1 sing N N 385 +TRP CD2 CE2 doub Y N 386 +TRP CD2 CE3 sing Y N 387 +TRP NE1 CE2 sing Y N 388 +TRP NE1 HE1 sing N N 389 +TRP CE2 CZ2 sing Y N 390 +TRP CE3 CZ3 doub Y N 391 +TRP CE3 HE3 sing N N 392 +TRP CZ2 CH2 doub Y N 393 +TRP CZ2 HZ2 sing N N 394 +TRP CZ3 CH2 sing Y N 395 +TRP CZ3 HZ3 sing N N 396 +TRP CH2 HH2 sing N N 397 +TRP OXT HXT sing N N 398 +TYR N CA sing N N 399 +TYR N H sing N N 400 +TYR N H2 sing N N 401 +TYR CA C sing N N 402 +TYR CA CB sing N N 403 +TYR CA HA sing N N 404 +TYR C O doub N N 405 +TYR C OXT sing N N 406 +TYR CB CG sing N N 407 +TYR CB HB2 sing N N 408 +TYR CB HB3 sing N N 409 +TYR CG CD1 doub Y N 410 +TYR CG CD2 sing Y N 411 +TYR CD1 CE1 sing Y N 412 +TYR CD1 HD1 sing N N 413 +TYR CD2 CE2 doub Y N 414 +TYR CD2 HD2 sing N N 415 +TYR CE1 CZ doub Y N 416 +TYR CE1 HE1 sing N N 417 +TYR CE2 CZ sing Y N 418 +TYR CE2 HE2 sing N N 419 +TYR CZ OH sing N N 420 +TYR OH HH sing N N 421 +TYR OXT HXT sing N N 422 +VAL N CA sing N N 423 +VAL N H sing N N 424 +VAL N H2 sing N N 425 +VAL CA C sing N N 426 +VAL CA CB sing N N 427 +VAL CA HA sing N N 428 +VAL C O doub N N 429 +VAL C OXT sing N N 430 +VAL CB CG1 sing N N 431 +VAL CB CG2 sing N N 432 +VAL CB HB sing N N 433 +VAL CG1 HG11 sing N N 434 +VAL CG1 HG12 sing N N 435 +VAL CG1 HG13 sing N N 436 +VAL CG2 HG21 sing N N 437 +VAL CG2 HG22 sing N N 438 +VAL CG2 HG23 sing N N 439 +VAL OXT HXT sing N N 440 +# +_atom_sites.entry_id 4HHB +_atom_sites.fract_transf_matrix[1][1] 0.015835 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.002604 +_atom_sites.fract_transf_vector[1] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.011963 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_vector[2] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.018837 +_atom_sites.fract_transf_vector[3] 0.000000 +# +_atom_sites_footnote.id 1 +_atom_sites_footnote.text 'PROBABLY PHOSPHATE GROUP.' +# +loop_ +_atom_type.symbol +C +FE +N +O +P +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . VAL A 1 1 ? 19.323 29.727 42.781 1.00 49.05 ? 1 VAL A N 1 +ATOM 2 C CA . VAL A 1 1 ? 20.141 30.469 42.414 1.00 43.14 ? 1 VAL A CA 1 +ATOM 3 C C . VAL A 1 1 ? 21.664 29.857 42.548 1.00 24.80 ? 1 VAL A C 1 +ATOM 4 O O . VAL A 1 1 ? 21.985 29.541 43.704 1.00 37.68 ? 1 VAL A O 1 +ATOM 5 C CB . VAL A 1 1 ? 19.887 31.918 43.524 1.00 72.12 ? 1 VAL A CB 1 +ATOM 6 C CG1 . VAL A 1 1 ? 20.656 32.850 42.999 1.00 61.79 ? 1 VAL A CG1 1 +ATOM 7 C CG2 . VAL A 1 1 ? 18.692 31.583 43.506 1.00 80.12 ? 1 VAL A CG2 1 +ATOM 8 N N . LEU A 1 2 ? 22.284 30.338 41.520 1.00 26.44 ? 2 LEU A N 1 +ATOM 9 C CA . LEU A 1 2 ? 23.773 29.985 41.873 1.00 26.32 ? 2 LEU A CA 1 +ATOM 10 C C . LEU A 1 2 ? 24.698 31.236 42.725 1.00 32.96 ? 2 LEU A C 1 +ATOM 11 O O . LEU A 1 2 ? 24.359 32.232 42.013 1.00 31.90 ? 2 LEU A O 1 +ATOM 12 C CB . LEU A 1 2 ? 24.180 29.902 40.374 1.00 29.23 ? 2 LEU A CB 1 +ATOM 13 C CG . LEU A 1 2 ? 24.177 28.761 39.582 1.00 37.71 ? 2 LEU A CG 1 +ATOM 14 C CD1 . LEU A 1 2 ? 24.140 27.432 40.098 1.00 39.10 ? 2 LEU A CD1 1 +ATOM 15 C CD2 . LEU A 1 2 ? 24.210 28.919 37.923 1.00 37.47 ? 2 LEU A CD2 1 +ATOM 16 N N . SER A 1 3 ? 25.002 30.808 43.594 1.00 28.01 ? 3 SER A N 1 +ATOM 17 C CA . SER A 1 3 ? 25.913 31.899 44.386 1.00 26.03 ? 3 SER A CA 1 +ATOM 18 C C . SER A 1 3 ? 26.954 32.120 43.503 1.00 25.99 ? 3 SER A C 1 +ATOM 19 O O . SER A 1 3 ? 27.580 31.417 42.575 1.00 25.98 ? 3 SER A O 1 +ATOM 20 C CB . SER A 1 3 ? 26.339 31.102 45.563 1.00 23.41 ? 3 SER A CB 1 +ATOM 21 O OG . SER A 1 3 ? 27.242 30.187 45.530 1.00 30.00 ? 3 SER A OG 1 +ATOM 22 N N . PRO A 1 4 ? 28.057 33.118 44.145 1.00 37.49 ? 4 PRO A N 1 +ATOM 23 C CA . PRO A 1 4 ? 28.906 33.371 43.168 1.00 38.81 ? 4 PRO A CA 1 +ATOM 24 C C . PRO A 1 4 ? 30.214 32.554 43.225 1.00 25.63 ? 4 PRO A C 1 +ATOM 25 O O . PRO A 1 4 ? 30.831 31.987 42.344 1.00 34.38 ? 4 PRO A O 1 +ATOM 26 C CB . PRO A 1 4 ? 29.916 34.531 43.968 1.00 50.44 ? 4 PRO A CB 1 +ATOM 27 C CG . PRO A 1 4 ? 28.712 35.195 44.473 1.00 43.42 ? 4 PRO A CG 1 +ATOM 28 C CD . PRO A 1 4 ? 27.379 34.390 44.646 1.00 42.77 ? 4 PRO A CD 1 +ATOM 29 N N . ALA A 1 5 ? 30.083 31.678 44.550 1.00 24.33 ? 5 ALA A N 1 +ATOM 30 C CA . ALA A 1 5 ? 31.123 30.854 44.608 1.00 24.06 ? 5 ALA A CA 1 +ATOM 31 C C . ALA A 1 5 ? 30.675 29.484 43.759 1.00 20.01 ? 5 ALA A C 1 +ATOM 32 O O . ALA A 1 5 ? 31.598 28.842 43.152 1.00 24.46 ? 5 ALA A O 1 +ATOM 33 C CB . ALA A 1 5 ? 31.015 30.218 46.253 1.00 28.15 ? 5 ALA A CB 1 +ATOM 34 N N . ASP A 1 6 ? 29.272 29.194 43.577 1.00 21.19 ? 6 ASP A N 1 +ATOM 35 C CA . ASP A 1 6 ? 28.883 28.227 42.499 1.00 23.14 ? 6 ASP A CA 1 +ATOM 36 C C . ASP A 1 6 ? 29.575 28.619 41.206 1.00 15.75 ? 6 ASP A C 1 +ATOM 37 O O . ASP A 1 6 ? 30.048 27.586 40.573 1.00 18.92 ? 6 ASP A O 1 +ATOM 38 C CB . ASP A 1 6 ? 27.485 28.065 42.473 1.00 18.68 ? 6 ASP A CB 1 +ATOM 39 C CG . ASP A 1 6 ? 26.874 27.385 43.720 1.00 21.70 ? 6 ASP A CG 1 +ATOM 40 O OD1 . ASP A 1 6 ? 27.375 26.460 44.316 1.00 19.76 ? 6 ASP A OD1 1 +ATOM 41 O OD2 . ASP A 1 6 ? 25.719 27.885 43.957 1.00 21.26 ? 6 ASP A OD2 1 +ATOM 42 N N . LYS A 1 7 ? 29.277 29.964 40.920 1.00 15.62 ? 7 LYS A N 1 +ATOM 43 C CA . LYS A 1 7 ? 30.058 30.174 39.521 1.00 26.74 ? 7 LYS A CA 1 +ATOM 44 C C . LYS A 1 7 ? 31.481 29.979 39.107 1.00 24.82 ? 7 LYS A C 1 +ATOM 45 O O . LYS A 1 7 ? 31.841 29.367 38.199 1.00 21.36 ? 7 LYS A O 1 +ATOM 46 C CB . LYS A 1 7 ? 29.362 31.513 39.112 1.00 28.73 ? 7 LYS A CB 1 +ATOM 47 C CG . LYS A 1 7 ? 27.887 31.712 39.434 1.00 34.11 ? 7 LYS A CG 1 +ATOM 48 C CD . LYS A 1 7 ? 27.434 33.307 39.171 1.00 46.50 ? 7 LYS A CD 1 +ATOM 49 C CE . LYS A 1 7 ? 26.166 33.430 39.863 1.00 40.75 ? 7 LYS A CE 1 +ATOM 50 N NZ . LYS A 1 7 ? 26.143 34.856 39.243 1.00 50.05 ? 7 LYS A NZ 1 +ATOM 51 N N . THR A 1 8 ? 32.142 30.276 40.526 1.00 20.80 ? 8 THR A N 1 +ATOM 52 C CA . THR A 1 8 ? 33.577 29.907 40.396 1.00 23.21 ? 8 THR A CA 1 +ATOM 53 C C . THR A 1 8 ? 34.010 28.663 40.095 1.00 17.85 ? 8 THR A C 1 +ATOM 54 O O . THR A 1 8 ? 34.804 28.109 39.456 1.00 20.04 ? 8 THR A O 1 +ATOM 55 C CB . THR A 1 8 ? 34.201 30.764 41.734 1.00 31.90 ? 8 THR A CB 1 +ATOM 56 O OG1 . THR A 1 8 ? 33.986 31.993 41.596 1.00 31.01 ? 8 THR A OG1 1 +ATOM 57 C CG2 . THR A 1 8 ? 35.426 30.415 41.716 1.00 43.78 ? 8 THR A CG2 1 +ATOM 58 N N . ASN A 1 9 ? 33.146 27.738 40.929 1.00 16.13 ? 9 ASN A N 1 +ATOM 59 C CA . ASN A 1 9 ? 33.275 26.383 40.940 1.00 17.84 ? 9 ASN A CA 1 +ATOM 60 C C . ASN A 1 9 ? 33.113 25.658 39.458 1.00 14.45 ? 9 ASN A C 1 +ATOM 61 O O . ASN A 1 9 ? 33.642 24.721 39.133 1.00 21.78 ? 9 ASN A O 1 +ATOM 62 C CB . ASN A 1 9 ? 32.451 25.650 41.980 1.00 20.10 ? 9 ASN A CB 1 +ATOM 63 C CG . ASN A 1 9 ? 32.954 26.032 43.366 1.00 34.82 ? 9 ASN A CG 1 +ATOM 64 O OD1 . ASN A 1 9 ? 34.126 26.287 43.620 1.00 26.93 ? 9 ASN A OD1 1 +ATOM 65 N ND2 . ASN A 1 9 ? 32.273 25.663 44.310 1.00 28.08 ? 9 ASN A ND2 1 +ATOM 66 N N . VAL A 1 10 ? 31.933 26.055 38.904 1.00 19.64 ? 10 VAL A N 1 +ATOM 67 C CA . VAL A 1 10 ? 31.494 25.556 37.564 1.00 13.04 ? 10 VAL A CA 1 +ATOM 68 C C . VAL A 1 10 ? 32.720 26.076 36.532 1.00 18.71 ? 10 VAL A C 1 +ATOM 69 O O . VAL A 1 10 ? 33.036 25.252 35.673 1.00 22.34 ? 10 VAL A O 1 +ATOM 70 C CB . VAL A 1 10 ? 30.155 26.031 37.319 1.00 19.07 ? 10 VAL A CB 1 +ATOM 71 C CG1 . VAL A 1 10 ? 29.865 25.687 35.930 1.00 21.59 ? 10 VAL A CG1 1 +ATOM 72 C CG2 . VAL A 1 10 ? 29.160 25.612 38.122 1.00 22.75 ? 10 VAL A CG2 1 +ATOM 73 N N . LYS A 1 11 ? 32.991 27.369 36.724 1.00 18.31 ? 11 LYS A N 1 +ATOM 74 C CA . LYS A 1 11 ? 33.940 27.959 35.592 1.00 24.80 ? 11 LYS A CA 1 +ATOM 75 C C . LYS A 1 11 ? 35.319 27.185 35.909 1.00 19.51 ? 11 LYS A C 1 +ATOM 76 O O . LYS A 1 11 ? 36.019 26.715 34.889 1.00 22.33 ? 11 LYS A O 1 +ATOM 77 C CB . LYS A 1 11 ? 34.208 29.311 35.820 1.00 39.77 ? 11 LYS A CB 1 +ATOM 78 C CG . LYS A 1 11 ? 33.202 30.123 35.532 1.00 34.41 ? 11 LYS A CG 1 +ATOM 79 C CD . LYS A 1 11 ? 33.427 31.408 35.371 1.00 46.95 ? 11 LYS A CD 1 +ATOM 80 C CE . LYS A 1 11 ? 31.840 32.105 34.452 1.00 49.55 ? 11 LYS A CE 1 +ATOM 81 N NZ . LYS A 1 11 ? 31.837 33.372 34.990 1.00 78.67 ? 11 LYS A NZ 1 +ATOM 82 N N . ALA A 1 12 ? 35.559 26.560 37.085 1.00 20.60 ? 12 ALA A N 1 +ATOM 83 C CA . ALA A 1 12 ? 36.832 26.247 36.892 1.00 25.98 ? 12 ALA A CA 1 +ATOM 84 C C . ALA A 1 12 ? 36.793 24.842 36.939 1.00 38.04 ? 12 ALA A C 1 +ATOM 85 O O . ALA A 1 12 ? 37.604 24.054 36.025 1.00 31.19 ? 12 ALA A O 1 +ATOM 86 C CB . ALA A 1 12 ? 37.186 26.023 38.483 1.00 28.13 ? 12 ALA A CB 1 +ATOM 87 N N . ALA A 1 13 ? 35.697 24.001 36.953 1.00 21.69 ? 13 ALA A N 1 +ATOM 88 C CA . ALA A 1 13 ? 35.708 22.676 36.618 1.00 19.11 ? 13 ALA A CA 1 +ATOM 89 C C . ALA A 1 13 ? 35.554 22.420 34.918 1.00 22.93 ? 13 ALA A C 1 +ATOM 90 O O . ALA A 1 13 ? 36.099 21.504 34.436 1.00 24.98 ? 13 ALA A O 1 +ATOM 91 C CB . ALA A 1 13 ? 34.415 22.026 37.306 1.00 23.17 ? 13 ALA A CB 1 +ATOM 92 N N . TRP A 1 14 ? 34.674 23.405 34.488 1.00 22.14 ? 14 TRP A N 1 +ATOM 93 C CA . TRP A 1 14 ? 34.467 23.218 33.030 1.00 21.27 ? 14 TRP A CA 1 +ATOM 94 C C . TRP A 1 14 ? 35.810 23.715 32.187 1.00 28.97 ? 14 TRP A C 1 +ATOM 95 O O . TRP A 1 14 ? 36.104 23.111 31.138 1.00 27.61 ? 14 TRP A O 1 +ATOM 96 C CB . TRP A 1 14 ? 32.998 24.227 32.631 1.00 29.00 ? 14 TRP A CB 1 +ATOM 97 C CG . TRP A 1 14 ? 32.826 23.615 31.585 1.00 25.79 ? 14 TRP A CG 1 +ATOM 98 C CD1 . TRP A 1 14 ? 32.942 24.430 30.133 1.00 22.38 ? 14 TRP A CD1 1 +ATOM 99 C CD2 . TRP A 1 14 ? 31.864 22.532 31.263 1.00 20.46 ? 14 TRP A CD2 1 +ATOM 100 N NE1 . TRP A 1 14 ? 32.091 23.452 29.315 1.00 29.74 ? 14 TRP A NE1 1 +ATOM 101 C CE2 . TRP A 1 14 ? 31.537 22.524 29.666 1.00 27.75 ? 14 TRP A CE2 1 +ATOM 102 C CE3 . TRP A 1 14 ? 31.357 21.442 31.937 1.00 34.00 ? 14 TRP A CE3 1 +ATOM 103 C CZ2 . TRP A 1 14 ? 30.923 21.636 29.268 1.00 34.81 ? 14 TRP A CZ2 1 +ATOM 104 C CZ3 . TRP A 1 14 ? 30.604 20.519 31.143 1.00 42.11 ? 14 TRP A CZ3 1 +ATOM 105 C CH2 . TRP A 1 14 ? 30.479 20.726 29.816 1.00 47.54 ? 14 TRP A CH2 1 +ATOM 106 N N . GLY A 1 15 ? 36.554 24.532 33.024 1.00 40.92 ? 15 GLY A N 1 +ATOM 107 C CA . GLY A 1 15 ? 37.583 25.041 32.159 1.00 38.97 ? 15 GLY A CA 1 +ATOM 108 C C . GLY A 1 15 ? 38.439 23.595 32.385 1.00 34.61 ? 15 GLY A C 1 +ATOM 109 O O . GLY A 1 15 ? 39.292 23.569 30.952 1.00 36.24 ? 15 GLY A O 1 +ATOM 110 N N . LYS A 1 16 ? 38.813 23.060 33.031 1.00 35.37 ? 16 LYS A N 1 +ATOM 111 C CA . LYS A 1 16 ? 39.261 21.595 33.148 1.00 29.09 ? 16 LYS A CA 1 +ATOM 112 C C . LYS A 1 16 ? 39.041 20.671 31.899 1.00 27.28 ? 16 LYS A C 1 +ATOM 113 O O . LYS A 1 16 ? 39.653 19.882 31.488 1.00 36.62 ? 16 LYS A O 1 +ATOM 114 C CB . LYS A 1 16 ? 39.285 20.770 34.453 1.00 30.47 ? 16 LYS A CB 1 +ATOM 115 C CG . LYS A 1 16 ? 40.457 19.570 34.277 1.00 47.02 ? 16 LYS A CG 1 +ATOM 116 C CD . LYS A 1 16 ? 42.065 20.737 34.566 1.00 66.41 ? 16 LYS A CD 1 +ATOM 117 C CE . LYS A 1 16 ? 42.400 18.931 34.013 1.00 65.00 ? 16 LYS A CE 1 +ATOM 118 N NZ . LYS A 1 16 ? 42.386 17.736 34.775 1.00 69.28 ? 16 LYS A NZ 1 +ATOM 119 N N . VAL A 1 17 ? 37.560 20.787 31.598 1.00 40.63 ? 17 VAL A N 1 +ATOM 120 C CA . VAL A 1 17 ? 36.916 20.003 30.839 1.00 32.19 ? 17 VAL A CA 1 +ATOM 121 C C . VAL A 1 17 ? 37.714 20.042 29.052 1.00 51.53 ? 17 VAL A C 1 +ATOM 122 O O . VAL A 1 17 ? 38.053 19.397 28.891 1.00 36.95 ? 17 VAL A O 1 +ATOM 123 C CB . VAL A 1 17 ? 35.556 19.802 30.826 1.00 24.77 ? 17 VAL A CB 1 +ATOM 124 C CG1 . VAL A 1 17 ? 34.992 19.492 29.499 1.00 21.73 ? 17 VAL A CG1 1 +ATOM 125 C CG2 . VAL A 1 17 ? 34.793 19.260 32.089 1.00 23.90 ? 17 VAL A CG2 1 +ATOM 126 N N . GLY A 1 18 ? 37.672 21.623 29.262 1.00 36.07 ? 18 GLY A N 1 +ATOM 127 C CA . GLY A 1 18 ? 38.436 22.192 28.188 1.00 37.64 ? 18 GLY A CA 1 +ATOM 128 C C . GLY A 1 18 ? 37.724 21.396 26.664 1.00 27.84 ? 18 GLY A C 1 +ATOM 129 O O . GLY A 1 18 ? 36.434 21.732 26.580 1.00 34.16 ? 18 GLY A O 1 +ATOM 130 N N . ALA A 1 19 ? 38.690 20.739 26.186 1.00 35.70 ? 19 ALA A N 1 +ATOM 131 C CA . ALA A 1 19 ? 38.676 20.710 24.774 1.00 37.59 ? 19 ALA A CA 1 +ATOM 132 C C . ALA A 1 19 ? 38.192 19.125 24.814 1.00 34.69 ? 19 ALA A C 1 +ATOM 133 O O . ALA A 1 19 ? 37.606 18.539 23.606 1.00 48.59 ? 19 ALA A O 1 +ATOM 134 C CB . ALA A 1 19 ? 39.890 20.486 23.851 1.00 46.19 ? 19 ALA A CB 1 +ATOM 135 N N . HIS A 1 20 ? 37.787 18.414 25.852 1.00 20.24 ? 20 HIS A N 1 +ATOM 136 C CA . HIS A 1 20 ? 37.288 17.018 25.894 1.00 19.03 ? 20 HIS A CA 1 +ATOM 137 C C . HIS A 1 20 ? 35.735 17.350 25.947 1.00 17.82 ? 20 HIS A C 1 +ATOM 138 O O . HIS A 1 20 ? 35.006 16.255 26.085 1.00 20.59 ? 20 HIS A O 1 +ATOM 139 C CB . HIS A 1 20 ? 37.591 16.412 27.081 1.00 31.92 ? 20 HIS A CB 1 +ATOM 140 C CG . HIS A 1 20 ? 38.818 15.858 27.318 1.00 45.35 ? 20 HIS A CG 1 +ATOM 141 N ND1 . HIS A 1 20 ? 39.616 15.003 26.078 1.00 52.86 ? 20 HIS A ND1 1 +ATOM 142 C CD2 . HIS A 1 20 ? 39.956 16.803 27.705 1.00 43.12 ? 20 HIS A CD2 1 +ATOM 143 C CE1 . HIS A 1 20 ? 40.744 15.113 26.724 1.00 68.75 ? 20 HIS A CE1 1 +ATOM 144 N NE2 . HIS A 1 20 ? 41.076 15.758 27.450 1.00 55.89 ? 20 HIS A NE2 1 +ATOM 145 N N . ALA A 1 21 ? 35.289 18.461 25.830 1.00 29.55 ? 21 ALA A N 1 +ATOM 146 C CA . ALA A 1 21 ? 33.825 18.860 26.213 1.00 29.36 ? 21 ALA A CA 1 +ATOM 147 C C . ALA A 1 21 ? 32.921 17.251 25.240 1.00 46.23 ? 21 ALA A C 1 +ATOM 148 O O . ALA A 1 21 ? 32.024 17.267 25.826 1.00 27.88 ? 21 ALA A O 1 +ATOM 149 C CB . ALA A 1 21 ? 33.439 20.204 26.284 1.00 28.64 ? 21 ALA A CB 1 +ATOM 150 N N . GLY A 1 22 ? 33.121 17.872 24.106 1.00 27.74 ? 22 GLY A N 1 +ATOM 151 C CA . GLY A 1 22 ? 32.458 16.809 23.303 1.00 29.10 ? 22 GLY A CA 1 +ATOM 152 C C . GLY A 1 22 ? 32.386 15.634 23.526 1.00 40.30 ? 22 GLY A C 1 +ATOM 153 O O . GLY A 1 22 ? 31.679 14.644 23.206 1.00 33.08 ? 22 GLY A O 1 +ATOM 154 N N . GLU A 1 23 ? 33.633 14.841 23.696 1.00 22.76 ? 23 GLU A N 1 +ATOM 155 C CA . GLU A 1 23 ? 33.758 13.411 23.993 1.00 14.60 ? 23 GLU A CA 1 +ATOM 156 C C . GLU A 1 23 ? 32.902 13.122 25.335 1.00 13.41 ? 23 GLU A C 1 +ATOM 157 O O . GLU A 1 23 ? 32.456 12.018 25.508 1.00 16.24 ? 23 GLU A O 1 +ATOM 158 C CB . GLU A 1 23 ? 35.369 13.376 24.231 1.00 20.16 ? 23 GLU A CB 1 +ATOM 159 C CG . GLU A 1 23 ? 35.681 11.895 24.352 1.00 40.65 ? 23 GLU A CG 1 +ATOM 160 C CD . GLU A 1 23 ? 37.773 11.969 24.493 1.00 70.75 ? 23 GLU A CD 1 +ATOM 161 O OE1 . GLU A 1 23 ? 37.498 11.638 26.157 1.00 57.57 ? 23 GLU A OE1 1 +ATOM 162 O OE2 . GLU A 1 23 ? 38.146 13.187 23.876 1.00 57.46 ? 23 GLU A OE2 1 +ATOM 163 N N . TYR A 1 24 ? 33.071 14.032 26.284 1.00 18.60 ? 24 TYR A N 1 +ATOM 164 C CA . TYR A 1 24 ? 32.420 13.791 27.541 1.00 26.35 ? 24 TYR A CA 1 +ATOM 165 C C . TYR A 1 24 ? 30.918 13.964 27.214 1.00 17.67 ? 24 TYR A C 1 +ATOM 166 O O . TYR A 1 24 ? 30.168 13.175 27.952 1.00 17.15 ? 24 TYR A O 1 +ATOM 167 C CB . TYR A 1 24 ? 32.643 15.082 28.524 1.00 21.47 ? 24 TYR A CB 1 +ATOM 168 C CG . TYR A 1 24 ? 34.174 14.736 29.162 1.00 17.94 ? 24 TYR A CG 1 +ATOM 169 C CD1 . TYR A 1 24 ? 34.650 15.558 30.037 1.00 25.54 ? 24 TYR A CD1 1 +ATOM 170 C CD2 . TYR A 1 24 ? 34.963 13.771 28.697 1.00 18.41 ? 24 TYR A CD2 1 +ATOM 171 C CE1 . TYR A 1 24 ? 36.047 15.300 30.438 1.00 27.77 ? 24 TYR A CE1 1 +ATOM 172 C CE2 . TYR A 1 24 ? 36.313 13.499 29.020 1.00 24.84 ? 24 TYR A CE2 1 +ATOM 173 C CZ . TYR A 1 24 ? 36.761 14.482 30.127 1.00 28.92 ? 24 TYR A CZ 1 +ATOM 174 O OH . TYR A 1 24 ? 38.077 14.435 30.223 1.00 33.79 ? 24 TYR A OH 1 +ATOM 175 N N . GLY A 1 25 ? 30.384 14.912 26.506 1.00 17.58 ? 25 GLY A N 1 +ATOM 176 C CA . GLY A 1 25 ? 28.988 15.021 25.961 1.00 16.95 ? 25 GLY A CA 1 +ATOM 177 C C . GLY A 1 25 ? 28.571 13.735 25.541 1.00 12.93 ? 25 GLY A C 1 +ATOM 178 O O . GLY A 1 25 ? 27.456 13.128 25.739 1.00 14.53 ? 25 GLY A O 1 +ATOM 179 N N . ALA A 1 26 ? 29.193 13.014 24.577 1.00 15.78 ? 26 ALA A N 1 +ATOM 180 C CA . ALA A 1 26 ? 28.959 11.960 24.052 1.00 18.05 ? 26 ALA A CA 1 +ATOM 181 C C . ALA A 1 26 ? 28.684 10.573 24.956 1.00 13.38 ? 26 ALA A C 1 +ATOM 182 O O . ALA A 1 26 ? 27.957 9.673 25.048 1.00 13.68 ? 26 ALA A O 1 +ATOM 183 C CB . ALA A 1 26 ? 29.782 11.279 23.082 1.00 21.17 ? 26 ALA A CB 1 +ATOM 184 N N . GLU A 1 27 ? 29.803 10.526 25.945 1.00 13.26 ? 27 GLU A N 1 +ATOM 185 C CA . GLU A 1 27 ? 29.741 9.512 27.000 1.00 15.73 ? 27 GLU A CA 1 +ATOM 186 C C . GLU A 1 27 ? 28.543 9.721 27.939 1.00 9.69 ? 27 GLU A C 1 +ATOM 187 O O . GLU A 1 27 ? 27.997 8.693 28.213 1.00 13.70 ? 27 GLU A O 1 +ATOM 188 C CB . GLU A 1 27 ? 31.163 9.735 27.677 1.00 17.47 ? 27 GLU A CB 1 +ATOM 189 C CG . GLU A 1 27 ? 31.163 8.726 28.840 1.00 16.72 ? 27 GLU A CG 1 +ATOM 190 C CD . GLU A 1 27 ? 32.614 8.732 29.717 1.00 28.34 ? 27 GLU A CD 1 +ATOM 191 O OE1 . GLU A 1 27 ? 32.419 8.475 30.828 1.00 20.53 ? 27 GLU A OE1 1 +ATOM 192 O OE2 . GLU A 1 27 ? 33.568 9.162 29.141 1.00 20.32 ? 27 GLU A OE2 1 +ATOM 193 N N . ALA A 1 28 ? 28.249 10.962 28.287 1.00 11.71 ? 28 ALA A N 1 +ATOM 194 C CA . ALA A 1 28 ? 27.105 11.207 29.104 1.00 14.08 ? 28 ALA A CA 1 +ATOM 195 C C . ALA A 1 28 ? 25.796 10.535 28.544 1.00 18.50 ? 28 ALA A C 1 +ATOM 196 O O . ALA A 1 28 ? 24.910 10.071 29.047 1.00 12.43 ? 28 ALA A O 1 +ATOM 197 C CB . ALA A 1 28 ? 26.926 12.630 29.458 1.00 19.09 ? 28 ALA A CB 1 +ATOM 198 N N . LEU A 1 29 ? 25.767 11.063 27.208 1.00 12.19 ? 29 LEU A N 1 +ATOM 199 C CA . LEU A 1 29 ? 24.518 10.331 26.454 1.00 17.48 ? 29 LEU A CA 1 +ATOM 200 C C . LEU A 1 29 ? 24.504 8.793 26.440 1.00 9.74 ? 29 LEU A C 1 +ATOM 201 O O . LEU A 1 29 ? 23.456 8.214 26.652 1.00 10.80 ? 29 LEU A O 1 +ATOM 202 C CB . LEU A 1 29 ? 24.500 10.976 24.784 1.00 12.13 ? 29 LEU A CB 1 +ATOM 203 C CG . LEU A 1 29 ? 24.327 12.461 24.812 1.00 14.66 ? 29 LEU A CG 1 +ATOM 204 C CD1 . LEU A 1 29 ? 24.649 12.677 23.315 1.00 16.80 ? 29 LEU A CD1 1 +ATOM 205 C CD2 . LEU A 1 29 ? 22.855 12.643 25.024 1.00 18.58 ? 29 LEU A CD2 1 +ATOM 206 N N . GLU A 1 30 ? 25.681 8.147 26.059 1.00 9.20 ? 30 GLU A N 1 +ATOM 207 C CA . GLU A 1 30 ? 25.685 6.735 26.191 1.00 11.66 ? 30 GLU A CA 1 +ATOM 208 C C . GLU A 1 30 ? 25.276 6.128 27.538 1.00 13.48 ? 30 GLU A C 1 +ATOM 209 O O . GLU A 1 30 ? 24.656 5.146 27.625 1.00 17.00 ? 30 GLU A O 1 +ATOM 210 C CB . GLU A 1 30 ? 26.982 6.289 25.644 1.00 19.11 ? 30 GLU A CB 1 +ATOM 211 C CG . GLU A 1 30 ? 26.952 4.956 25.891 1.00 27.23 ? 30 GLU A CG 1 +ATOM 212 C CD . GLU A 1 30 ? 28.610 4.344 24.951 1.00 43.77 ? 30 GLU A CD 1 +ATOM 213 O OE1 . GLU A 1 30 ? 29.403 5.267 24.919 1.00 45.21 ? 30 GLU A OE1 1 +ATOM 214 O OE2 . GLU A 1 30 ? 28.312 3.169 24.429 1.00 45.13 ? 30 GLU A OE2 1 +ATOM 215 N N . ARG A 1 31 ? 25.849 6.862 28.541 1.00 11.70 ? 31 ARG A N 1 +ATOM 216 C CA . ARG A 1 31 ? 25.494 6.477 29.930 1.00 13.69 ? 31 ARG A CA 1 +ATOM 217 C C . ARG A 1 31 ? 23.905 6.550 30.154 1.00 13.95 ? 31 ARG A C 1 +ATOM 218 O O . ARG A 1 31 ? 23.431 5.543 30.810 1.00 16.42 ? 31 ARG A O 1 +ATOM 219 C CB . ARG A 1 31 ? 26.183 7.223 30.999 1.00 9.32 ? 31 ARG A CB 1 +ATOM 220 C CG . ARG A 1 31 ? 27.719 6.823 30.974 1.00 14.85 ? 31 ARG A CG 1 +ATOM 221 C CD . ARG A 1 31 ? 28.365 7.741 31.920 1.00 20.12 ? 31 ARG A CD 1 +ATOM 222 N NE . ARG A 1 31 ? 30.007 7.518 32.167 1.00 14.83 ? 31 ARG A NE 1 +ATOM 223 C CZ . ARG A 1 31 ? 30.374 6.442 32.782 1.00 13.22 ? 31 ARG A CZ 1 +ATOM 224 N NH1 . ARG A 1 31 ? 29.644 5.568 33.401 1.00 11.40 ? 31 ARG A NH1 1 +ATOM 225 N NH2 . ARG A 1 31 ? 31.719 6.304 32.607 1.00 17.34 ? 31 ARG A NH2 1 +ATOM 226 N N . MET A 1 32 ? 23.371 7.664 29.683 1.00 11.37 ? 32 MET A N 1 +ATOM 227 C CA . MET A 1 32 ? 21.971 7.778 29.854 1.00 10.16 ? 32 MET A CA 1 +ATOM 228 C C . MET A 1 32 ? 21.193 6.745 29.104 1.00 12.10 ? 32 MET A C 1 +ATOM 229 O O . MET A 1 32 ? 20.200 6.115 29.637 1.00 12.78 ? 32 MET A O 1 +ATOM 230 C CB . MET A 1 32 ? 21.508 9.125 29.396 1.00 12.48 ? 32 MET A CB 1 +ATOM 231 C CG . MET A 1 32 ? 20.069 9.586 29.508 1.00 17.73 ? 32 MET A CG 1 +ATOM 232 S SD . MET A 1 32 ? 19.666 11.138 28.793 1.00 15.12 ? 32 MET A SD 1 +ATOM 233 C CE . MET A 1 32 ? 19.832 10.587 27.075 1.00 11.32 ? 32 MET A CE 1 +ATOM 234 N N . PHE A 1 33 ? 21.472 6.455 27.928 1.00 13.98 ? 33 PHE A N 1 +ATOM 235 C CA . PHE A 1 33 ? 20.804 5.332 27.135 1.00 16.07 ? 33 PHE A CA 1 +ATOM 236 C C . PHE A 1 33 ? 20.756 4.094 27.521 1.00 12.29 ? 33 PHE A C 1 +ATOM 237 O O . PHE A 1 33 ? 19.855 3.278 27.607 1.00 14.84 ? 33 PHE A O 1 +ATOM 238 C CB . PHE A 1 33 ? 21.258 5.369 25.686 1.00 11.16 ? 33 PHE A CB 1 +ATOM 239 C CG . PHE A 1 33 ? 20.998 6.601 24.949 1.00 10.01 ? 33 PHE A CG 1 +ATOM 240 C CD1 . PHE A 1 33 ? 20.035 7.373 24.921 1.00 13.62 ? 33 PHE A CD1 1 +ATOM 241 C CD2 . PHE A 1 33 ? 22.144 6.872 23.946 1.00 19.46 ? 33 PHE A CD2 1 +ATOM 242 C CE1 . PHE A 1 33 ? 19.777 8.553 24.028 1.00 17.65 ? 33 PHE A CE1 1 +ATOM 243 C CE2 . PHE A 1 33 ? 21.824 8.278 23.299 1.00 14.83 ? 33 PHE A CE2 1 +ATOM 244 C CZ . PHE A 1 33 ? 20.893 8.911 23.305 1.00 12.93 ? 33 PHE A CZ 1 +ATOM 245 N N . LEU A 1 34 ? 21.949 3.754 28.342 1.00 16.04 ? 34 LEU A N 1 +ATOM 246 C CA . LEU A 1 34 ? 22.106 2.381 28.856 1.00 14.57 ? 34 LEU A CA 1 +ATOM 247 C C . LEU A 1 34 ? 21.389 2.378 30.261 1.00 17.64 ? 34 LEU A C 1 +ATOM 248 O O . LEU A 1 34 ? 20.938 1.317 30.615 1.00 18.98 ? 34 LEU A O 1 +ATOM 249 C CB . LEU A 1 34 ? 23.446 1.993 29.003 1.00 18.08 ? 34 LEU A CB 1 +ATOM 250 C CG . LEU A 1 34 ? 24.291 1.614 28.022 1.00 28.60 ? 34 LEU A CG 1 +ATOM 251 C CD1 . LEU A 1 34 ? 25.845 1.477 27.982 1.00 25.37 ? 34 LEU A CD1 1 +ATOM 252 C CD2 . LEU A 1 34 ? 23.655 0.958 27.004 1.00 34.83 ? 34 LEU A CD2 1 +ATOM 253 N N . SER A 1 35 ? 21.549 3.520 31.132 1.00 15.41 ? 35 SER A N 1 +ATOM 254 C CA . SER A 1 35 ? 21.173 3.290 32.388 1.00 14.95 ? 35 SER A CA 1 +ATOM 255 C C . SER A 1 35 ? 19.624 3.547 32.560 1.00 15.69 ? 35 SER A C 1 +ATOM 256 O O . SER A 1 35 ? 18.876 3.117 33.486 1.00 14.29 ? 35 SER A O 1 +ATOM 257 C CB . SER A 1 35 ? 21.736 4.467 33.318 1.00 13.14 ? 35 SER A CB 1 +ATOM 258 O OG . SER A 1 35 ? 23.055 4.020 33.621 1.00 17.78 ? 35 SER A OG 1 +ATOM 259 N N . PHE A 1 36 ? 19.149 4.429 31.673 1.00 13.54 ? 36 PHE A N 1 +ATOM 260 C CA . PHE A 1 36 ? 17.700 4.829 31.549 1.00 13.46 ? 36 PHE A CA 1 +ATOM 261 C C . PHE A 1 36 ? 17.241 4.706 30.110 1.00 8.62 ? 36 PHE A C 1 +ATOM 262 O O . PHE A 1 36 ? 17.009 5.817 29.402 1.00 14.12 ? 36 PHE A O 1 +ATOM 263 C CB . PHE A 1 36 ? 17.696 6.285 31.968 1.00 16.50 ? 36 PHE A CB 1 +ATOM 264 C CG . PHE A 1 36 ? 18.345 6.800 33.314 1.00 13.63 ? 36 PHE A CG 1 +ATOM 265 C CD1 . PHE A 1 36 ? 19.617 7.297 33.349 1.00 11.92 ? 36 PHE A CD1 1 +ATOM 266 C CD2 . PHE A 1 36 ? 17.711 6.142 34.550 1.00 19.28 ? 36 PHE A CD2 1 +ATOM 267 C CE1 . PHE A 1 36 ? 20.188 7.527 34.572 1.00 15.75 ? 36 PHE A CE1 1 +ATOM 268 C CE2 . PHE A 1 36 ? 18.366 6.356 35.744 1.00 13.78 ? 36 PHE A CE2 1 +ATOM 269 C CZ . PHE A 1 36 ? 19.636 6.925 35.714 1.00 15.33 ? 36 PHE A CZ 1 +ATOM 270 N N . PRO A 1 37 ? 16.816 3.498 30.019 1.00 14.18 ? 37 PRO A N 1 +ATOM 271 C CA . PRO A 1 37 ? 16.354 3.248 28.493 1.00 17.12 ? 37 PRO A CA 1 +ATOM 272 C C . PRO A 1 37 ? 15.213 3.919 28.007 1.00 17.85 ? 37 PRO A C 1 +ATOM 273 O O . PRO A 1 37 ? 15.057 4.094 26.767 1.00 18.50 ? 37 PRO A O 1 +ATOM 274 C CB . PRO A 1 37 ? 16.249 1.724 28.442 1.00 23.37 ? 37 PRO A CB 1 +ATOM 275 C CG . PRO A 1 37 ? 16.392 1.253 29.803 1.00 28.27 ? 37 PRO A CG 1 +ATOM 276 C CD . PRO A 1 37 ? 16.930 2.479 30.711 1.00 20.43 ? 37 PRO A CD 1 +ATOM 277 N N . THR A 1 38 ? 14.357 4.466 28.929 1.00 18.86 ? 38 THR A N 1 +ATOM 278 C CA . THR A 1 38 ? 13.157 5.139 28.339 1.00 14.66 ? 38 THR A CA 1 +ATOM 279 C C . THR A 1 38 ? 13.600 6.361 27.574 1.00 12.72 ? 38 THR A C 1 +ATOM 280 O O . THR A 1 38 ? 12.939 6.947 26.810 1.00 15.75 ? 38 THR A O 1 +ATOM 281 C CB . THR A 1 38 ? 12.316 5.589 29.574 1.00 19.10 ? 38 THR A CB 1 +ATOM 282 O OG1 . THR A 1 38 ? 12.943 6.229 30.555 1.00 18.82 ? 38 THR A OG1 1 +ATOM 283 C CG2 . THR A 1 38 ? 11.781 4.216 30.042 1.00 22.69 ? 38 THR A CG2 1 +ATOM 284 N N . THR A 1 39 ? 14.859 6.930 27.855 1.00 14.27 ? 39 THR A N 1 +ATOM 285 C CA . THR A 1 39 ? 15.238 8.149 27.103 1.00 10.19 ? 39 THR A CA 1 +ATOM 286 C C . THR A 1 39 ? 15.500 7.830 25.576 1.00 10.17 ? 39 THR A C 1 +ATOM 287 O O . THR A 1 39 ? 15.558 8.745 24.910 1.00 14.01 ? 39 THR A O 1 +ATOM 288 C CB . THR A 1 39 ? 16.395 8.679 27.763 1.00 15.56 ? 39 THR A CB 1 +ATOM 289 O OG1 . THR A 1 39 ? 17.651 7.831 27.803 1.00 14.68 ? 39 THR A OG1 1 +ATOM 290 C CG2 . THR A 1 39 ? 16.291 9.101 29.229 1.00 20.52 ? 39 THR A CG2 1 +ATOM 291 N N . LYS A 1 40 ? 15.588 6.638 25.375 1.00 14.72 ? 40 LYS A N 1 +ATOM 292 C CA . LYS A 1 40 ? 15.881 6.424 24.003 1.00 15.89 ? 40 LYS A CA 1 +ATOM 293 C C . LYS A 1 40 ? 14.655 6.610 23.010 1.00 21.37 ? 40 LYS A C 1 +ATOM 294 O O . LYS A 1 40 ? 14.649 6.682 21.907 1.00 15.72 ? 40 LYS A O 1 +ATOM 295 C CB . LYS A 1 40 ? 16.170 4.717 23.736 1.00 11.64 ? 40 LYS A CB 1 +ATOM 296 C CG . LYS A 1 40 ? 17.561 4.446 24.277 1.00 16.19 ? 40 LYS A CG 1 +ATOM 297 C CD . LYS A 1 40 ? 17.961 3.027 23.949 1.00 23.35 ? 40 LYS A CD 1 +ATOM 298 C CE . LYS A 1 40 ? 17.340 2.023 24.619 1.00 24.42 ? 40 LYS A CE 1 +ATOM 299 N NZ . LYS A 1 40 ? 17.779 0.582 24.380 1.00 19.04 ? 40 LYS A NZ 1 +ATOM 300 N N . THR A 1 41 ? 13.439 6.783 23.700 1.00 13.16 ? 41 THR A N 1 +ATOM 301 C CA . THR A 1 41 ? 12.175 7.074 22.983 1.00 14.78 ? 41 THR A CA 1 +ATOM 302 C C . THR A 1 41 ? 12.378 8.219 22.300 1.00 15.32 ? 41 THR A C 1 +ATOM 303 O O . THR A 1 41 ? 11.504 8.711 21.390 1.00 15.67 ? 41 THR A O 1 +ATOM 304 C CB . THR A 1 41 ? 10.945 7.027 24.025 1.00 15.38 ? 41 THR A CB 1 +ATOM 305 O OG1 . THR A 1 41 ? 11.077 8.071 24.916 1.00 14.93 ? 41 THR A OG1 1 +ATOM 306 C CG2 . THR A 1 41 ? 10.726 5.714 24.494 1.00 16.57 ? 41 THR A CG2 1 +ATOM 307 N N . TYR A 1 42 ? 13.250 9.259 22.591 1.00 10.46 ? 42 TYR A N 1 +ATOM 308 C CA . TYR A 1 42 ? 13.209 10.568 21.934 1.00 12.73 ? 42 TYR A CA 1 +ATOM 309 C C . TYR A 1 42 ? 14.312 10.499 20.614 1.00 7.07 ? 42 TYR A C 1 +ATOM 310 O O . TYR A 1 42 ? 14.483 11.535 19.973 1.00 12.11 ? 42 TYR A O 1 +ATOM 311 C CB . TYR A 1 42 ? 13.924 11.525 22.878 1.00 14.67 ? 42 TYR A CB 1 +ATOM 312 C CG . TYR A 1 42 ? 12.738 11.878 23.857 1.00 13.54 ? 42 TYR A CG 1 +ATOM 313 C CD1 . TYR A 1 42 ? 11.677 12.803 23.635 1.00 19.68 ? 42 TYR A CD1 1 +ATOM 314 C CD2 . TYR A 1 42 ? 12.746 11.193 25.161 1.00 18.38 ? 42 TYR A CD2 1 +ATOM 315 C CE1 . TYR A 1 42 ? 10.720 12.820 24.659 1.00 23.98 ? 42 TYR A CE1 1 +ATOM 316 C CE2 . TYR A 1 42 ? 11.767 11.459 26.089 1.00 13.41 ? 42 TYR A CE2 1 +ATOM 317 C CZ . TYR A 1 42 ? 10.738 12.296 25.816 1.00 18.96 ? 42 TYR A CZ 1 +ATOM 318 O OH . TYR A 1 42 ? 9.783 12.529 26.788 1.00 19.81 ? 42 TYR A OH 1 +ATOM 319 N N . PHE A 1 43 ? 15.042 9.334 20.605 1.00 17.11 ? 43 PHE A N 1 +ATOM 320 C CA . PHE A 1 43 ? 16.101 9.057 19.587 1.00 18.18 ? 43 PHE A CA 1 +ATOM 321 C C . PHE A 1 43 ? 15.721 7.963 18.679 1.00 24.86 ? 43 PHE A C 1 +ATOM 322 O O . PHE A 1 43 ? 16.638 7.262 18.347 1.00 22.13 ? 43 PHE A O 1 +ATOM 323 C CB . PHE A 1 43 ? 17.409 9.021 20.171 1.00 15.44 ? 43 PHE A CB 1 +ATOM 324 C CG . PHE A 1 43 ? 17.903 10.358 20.901 1.00 14.36 ? 43 PHE A CG 1 +ATOM 325 C CD1 . PHE A 1 43 ? 17.434 10.488 22.309 1.00 14.47 ? 43 PHE A CD1 1 +ATOM 326 C CD2 . PHE A 1 43 ? 18.498 11.389 20.463 1.00 16.54 ? 43 PHE A CD2 1 +ATOM 327 C CE1 . PHE A 1 43 ? 17.873 11.597 22.912 1.00 20.56 ? 43 PHE A CE1 1 +ATOM 328 C CE2 . PHE A 1 43 ? 18.922 12.637 21.114 1.00 17.61 ? 43 PHE A CE2 1 +ATOM 329 C CZ . PHE A 1 43 ? 18.577 12.548 22.483 1.00 18.88 ? 43 PHE A CZ 1 +ATOM 330 N N . PRO A 1 44 ? 14.492 7.767 18.271 1.00 18.09 ? 44 PRO A N 1 +ATOM 331 C CA . PRO A 1 44 ? 14.321 6.535 17.581 1.00 22.24 ? 44 PRO A CA 1 +ATOM 332 C C . PRO A 1 44 ? 14.918 6.772 15.872 1.00 24.15 ? 44 PRO A C 1 +ATOM 333 O O . PRO A 1 44 ? 15.206 5.837 15.268 1.00 24.01 ? 44 PRO A O 1 +ATOM 334 C CB . PRO A 1 44 ? 12.967 6.606 17.356 1.00 28.44 ? 44 PRO A CB 1 +ATOM 335 C CG . PRO A 1 44 ? 12.507 8.020 17.350 1.00 24.77 ? 44 PRO A CG 1 +ATOM 336 C CD . PRO A 1 44 ? 13.454 8.598 18.416 1.00 21.37 ? 44 PRO A CD 1 +ATOM 337 N N . HIS A 1 45 ? 15.240 7.893 15.634 1.00 22.61 ? 45 HIS A N 1 +ATOM 338 C CA . HIS A 1 45 ? 15.913 8.246 14.334 1.00 32.33 ? 45 HIS A CA 1 +ATOM 339 C C . HIS A 1 45 ? 17.383 8.157 14.233 1.00 27.50 ? 45 HIS A C 1 +ATOM 340 O O . HIS A 1 45 ? 18.037 8.482 13.320 1.00 22.34 ? 45 HIS A O 1 +ATOM 341 C CB . HIS A 1 45 ? 15.593 9.554 13.971 1.00 28.91 ? 45 HIS A CB 1 +ATOM 342 C CG . HIS A 1 45 ? 15.690 10.926 14.749 1.00 24.48 ? 45 HIS A CG 1 +ATOM 343 N ND1 . HIS A 1 45 ? 15.420 10.662 16.192 1.00 28.61 ? 45 HIS A ND1 1 +ATOM 344 C CD2 . HIS A 1 45 ? 16.610 11.875 14.613 1.00 25.11 ? 45 HIS A CD2 1 +ATOM 345 C CE1 . HIS A 1 45 ? 15.767 11.823 16.768 1.00 26.97 ? 45 HIS A CE1 1 +ATOM 346 N NE2 . HIS A 1 45 ? 16.593 12.571 15.731 1.00 30.40 ? 45 HIS A NE2 1 +ATOM 347 N N . PHE A 1 46 ? 18.207 7.804 15.579 1.00 17.28 ? 46 PHE A N 1 +ATOM 348 C CA . PHE A 1 46 ? 19.550 7.726 15.637 1.00 16.89 ? 46 PHE A CA 1 +ATOM 349 C C . PHE A 1 46 ? 19.866 6.269 15.514 1.00 16.17 ? 46 PHE A C 1 +ATOM 350 O O . PHE A 1 46 ? 19.344 5.340 16.122 1.00 18.14 ? 46 PHE A O 1 +ATOM 351 C CB . PHE A 1 46 ? 19.965 8.363 17.039 1.00 19.02 ? 46 PHE A CB 1 +ATOM 352 C CG . PHE A 1 46 ? 20.178 9.639 16.902 1.00 24.73 ? 46 PHE A CG 1 +ATOM 353 C CD1 . PHE A 1 46 ? 21.089 10.369 17.801 1.00 19.60 ? 46 PHE A CD1 1 +ATOM 354 C CD2 . PHE A 1 46 ? 19.861 10.447 16.188 1.00 32.07 ? 46 PHE A CD2 1 +ATOM 355 C CE1 . PHE A 1 46 ? 21.279 11.655 17.858 1.00 16.62 ? 46 PHE A CE1 1 +ATOM 356 C CE2 . PHE A 1 46 ? 20.068 11.984 16.052 1.00 32.95 ? 46 PHE A CE2 1 +ATOM 357 C CZ . PHE A 1 46 ? 20.756 12.736 16.886 1.00 26.82 ? 46 PHE A CZ 1 +ATOM 358 N N . ASP A 1 47 ? 21.231 6.185 15.016 1.00 19.28 ? 47 ASP A N 1 +ATOM 359 C CA . ASP A 1 47 ? 21.861 4.885 15.347 1.00 21.11 ? 47 ASP A CA 1 +ATOM 360 C C . ASP A 1 47 ? 22.630 5.090 16.893 1.00 19.86 ? 47 ASP A C 1 +ATOM 361 O O . ASP A 1 47 ? 23.376 5.998 16.879 1.00 21.26 ? 47 ASP A O 1 +ATOM 362 C CB . ASP A 1 47 ? 23.135 4.848 14.281 1.00 18.49 ? 47 ASP A CB 1 +ATOM 363 C CG . ASP A 1 47 ? 23.809 3.405 14.556 1.00 31.25 ? 47 ASP A CG 1 +ATOM 364 O OD1 . ASP A 1 47 ? 23.644 2.649 15.396 1.00 29.75 ? 47 ASP A OD1 1 +ATOM 365 O OD2 . ASP A 1 47 ? 24.860 3.621 13.910 1.00 43.41 ? 47 ASP A OD2 1 +ATOM 366 N N . LEU A 1 48 ? 22.082 4.402 17.609 1.00 24.03 ? 48 LEU A N 1 +ATOM 367 C CA . LEU A 1 48 ? 22.550 4.431 18.889 1.00 18.27 ? 48 LEU A CA 1 +ATOM 368 C C . LEU A 1 48 ? 23.448 3.263 19.460 1.00 36.02 ? 48 LEU A C 1 +ATOM 369 O O . LEU A 1 48 ? 23.927 3.481 20.472 1.00 39.74 ? 48 LEU A O 1 +ATOM 370 C CB . LEU A 1 48 ? 21.261 4.461 19.996 1.00 19.69 ? 48 LEU A CB 1 +ATOM 371 C CG . LEU A 1 48 ? 20.516 5.709 19.878 1.00 21.82 ? 48 LEU A CG 1 +ATOM 372 C CD1 . LEU A 1 48 ? 19.168 5.276 20.851 1.00 33.27 ? 48 LEU A CD1 1 +ATOM 373 C CD2 . LEU A 1 48 ? 20.850 6.912 19.997 1.00 24.10 ? 48 LEU A CD2 1 +ATOM 374 N N . SER A 1 49 ? 24.339 2.929 18.392 1.00 29.95 ? 49 SER A N 1 +ATOM 375 C CA . SER A 1 49 ? 25.535 1.858 18.561 1.00 36.57 ? 49 SER A CA 1 +ATOM 376 C C . SER A 1 49 ? 26.458 2.801 19.207 1.00 27.84 ? 49 SER A C 1 +ATOM 377 O O . SER A 1 49 ? 26.802 4.037 19.000 1.00 22.88 ? 49 SER A O 1 +ATOM 378 C CB . SER A 1 49 ? 25.373 1.033 17.483 1.00 37.22 ? 49 SER A CB 1 +ATOM 379 O OG . SER A 1 49 ? 25.921 1.581 16.702 1.00 43.53 ? 49 SER A OG 1 +ATOM 380 N N . HIS A 1 50 ? 27.455 1.965 20.106 1.00 28.70 ? 50 HIS A N 1 +ATOM 381 C CA . HIS A 1 50 ? 28.218 3.101 20.528 1.00 33.73 ? 50 HIS A CA 1 +ATOM 382 C C . HIS A 1 50 ? 29.310 3.619 19.727 1.00 26.32 ? 50 HIS A C 1 +ATOM 383 O O . HIS A 1 50 ? 29.775 2.696 18.663 1.00 31.00 ? 50 HIS A O 1 +ATOM 384 C CB . HIS A 1 50 ? 29.450 1.750 21.376 1.00 52.72 ? 50 HIS A CB 1 +ATOM 385 C CG . HIS A 1 50 ? 30.508 2.456 21.766 1.00 44.40 ? 50 HIS A CG 1 +ATOM 386 N ND1 . HIS A 1 50 ? 30.572 3.193 22.971 1.00 33.80 ? 50 HIS A ND1 1 +ATOM 387 C CD2 . HIS A 1 50 ? 31.879 1.639 21.968 1.00 47.43 ? 50 HIS A CD2 1 +ATOM 388 C CE1 . HIS A 1 50 ? 31.865 3.679 23.166 1.00 41.56 ? 50 HIS A CE1 1 +ATOM 389 N NE2 . HIS A 1 50 ? 32.604 2.825 22.372 1.00 46.05 ? 50 HIS A NE2 1 +ATOM 390 N N . GLY A 1 51 ? 29.701 4.489 19.628 1.00 24.77 ? 51 GLY A N 1 +ATOM 391 C CA . GLY A 1 51 ? 30.524 5.414 18.901 1.00 47.57 ? 51 GLY A CA 1 +ATOM 392 C C . GLY A 1 51 ? 29.939 6.009 17.597 1.00 38.90 ? 51 GLY A C 1 +ATOM 393 O O . GLY A 1 51 ? 30.692 6.324 16.802 1.00 36.29 ? 51 GLY A O 1 +ATOM 394 N N . SER A 1 52 ? 28.692 5.715 17.597 1.00 31.32 ? 52 SER A N 1 +ATOM 395 C CA . SER A 1 52 ? 28.020 6.525 16.203 1.00 26.23 ? 52 SER A CA 1 +ATOM 396 C C . SER A 1 52 ? 28.378 7.683 16.152 1.00 16.57 ? 52 SER A C 1 +ATOM 397 O O . SER A 1 52 ? 28.369 8.634 16.879 1.00 20.02 ? 52 SER A O 1 +ATOM 398 C CB . SER A 1 52 ? 26.583 6.055 16.229 1.00 27.24 ? 52 SER A CB 1 +ATOM 399 O OG . SER A 1 52 ? 25.890 7.062 16.774 1.00 23.82 ? 52 SER A OG 1 +ATOM 400 N N . ALA A 1 53 ? 28.439 8.171 14.779 1.00 17.74 ? 53 ALA A N 1 +ATOM 401 C CA . ALA A 1 53 ? 28.722 9.512 14.598 1.00 23.86 ? 53 ALA A CA 1 +ATOM 402 C C . ALA A 1 53 ? 27.534 10.514 14.908 1.00 16.18 ? 53 ALA A C 1 +ATOM 403 O O . ALA A 1 53 ? 27.765 11.610 15.323 1.00 19.42 ? 53 ALA A O 1 +ATOM 404 C CB . ALA A 1 53 ? 28.701 9.765 12.937 1.00 25.47 ? 53 ALA A CB 1 +ATOM 405 N N . GLN A 1 54 ? 26.241 9.921 15.021 1.00 20.85 ? 54 GLN A N 1 +ATOM 406 C CA . GLN A 1 54 ? 25.159 10.806 15.328 1.00 13.59 ? 54 GLN A CA 1 +ATOM 407 C C . GLN A 1 54 ? 25.363 11.099 16.958 1.00 19.26 ? 54 GLN A C 1 +ATOM 408 O O . GLN A 1 54 ? 24.921 12.247 17.202 1.00 20.48 ? 54 GLN A O 1 +ATOM 409 C CB . GLN A 1 54 ? 23.833 9.934 15.159 1.00 15.39 ? 54 GLN A CB 1 +ATOM 410 C CG . GLN A 1 54 ? 23.396 10.063 13.711 1.00 20.40 ? 54 GLN A CG 1 +ATOM 411 C CD . GLN A 1 54 ? 22.433 9.055 13.441 1.00 15.48 ? 54 GLN A CD 1 +ATOM 412 O OE1 . GLN A 1 54 ? 22.607 7.801 13.464 1.00 23.45 ? 54 GLN A OE1 1 +ATOM 413 N NE2 . GLN A 1 54 ? 21.468 9.362 12.404 1.00 19.86 ? 54 GLN A NE2 1 +ATOM 414 N N . VAL A 1 55 ? 25.628 10.046 17.643 1.00 16.87 ? 55 VAL A N 1 +ATOM 415 C CA . VAL A 1 55 ? 25.853 10.345 19.086 1.00 16.48 ? 55 VAL A CA 1 +ATOM 416 C C . VAL A 1 55 ? 26.934 11.263 19.445 1.00 17.36 ? 55 VAL A C 1 +ATOM 417 O O . VAL A 1 55 ? 26.957 12.206 20.118 1.00 18.40 ? 55 VAL A O 1 +ATOM 418 C CB . VAL A 1 55 ? 25.910 8.894 19.761 1.00 14.78 ? 55 VAL A CB 1 +ATOM 419 C CG1 . VAL A 1 55 ? 26.329 9.077 21.197 1.00 21.77 ? 55 VAL A CG1 1 +ATOM 420 C CG2 . VAL A 1 55 ? 24.596 8.299 19.723 1.00 16.83 ? 55 VAL A CG2 1 +ATOM 421 N N . LYS A 1 56 ? 28.140 10.992 18.743 1.00 16.43 ? 56 LYS A N 1 +ATOM 422 C CA . LYS A 1 56 ? 29.167 11.903 18.754 1.00 16.52 ? 56 LYS A CA 1 +ATOM 423 C C . LYS A 1 56 ? 28.842 13.208 18.768 1.00 21.58 ? 56 LYS A C 1 +ATOM 424 O O . LYS A 1 56 ? 29.300 14.272 19.188 1.00 20.11 ? 56 LYS A O 1 +ATOM 425 C CB . LYS A 1 56 ? 30.539 11.379 18.178 1.00 18.35 ? 56 LYS A CB 1 +ATOM 426 C CG . LYS A 1 56 ? 30.761 10.000 18.746 1.00 28.49 ? 56 LYS A CG 1 +ATOM 427 C CD . LYS A 1 56 ? 32.602 10.020 17.827 1.00 44.71 ? 56 LYS A CD 1 +ATOM 428 C CE . LYS A 1 56 ? 33.183 8.332 18.281 1.00 47.65 ? 56 LYS A CE 1 +ATOM 429 N NZ . LYS A 1 56 ? 34.579 8.484 17.517 1.00 52.31 ? 56 LYS A NZ 1 +ATOM 430 N N . GLY A 1 57 ? 28.245 13.452 17.358 1.00 17.21 ? 57 GLY A N 1 +ATOM 431 C CA . GLY A 1 57 ? 27.796 14.786 16.962 1.00 25.10 ? 57 GLY A CA 1 +ATOM 432 C C . GLY A 1 57 ? 26.736 15.547 17.979 1.00 19.44 ? 57 GLY A C 1 +ATOM 433 O O . GLY A 1 57 ? 27.113 16.686 18.224 1.00 20.54 ? 57 GLY A O 1 +ATOM 434 N N . HIS A 1 58 ? 25.914 14.696 18.379 1.00 18.79 ? 58 HIS A N 1 +ATOM 435 C CA . HIS A 1 58 ? 24.939 15.324 19.353 1.00 20.27 ? 58 HIS A CA 1 +ATOM 436 C C . HIS A 1 58 ? 25.745 15.724 20.868 1.00 13.51 ? 58 HIS A C 1 +ATOM 437 O O . HIS A 1 58 ? 25.371 16.810 21.249 1.00 17.47 ? 58 HIS A O 1 +ATOM 438 C CB . HIS A 1 58 ? 23.856 14.230 19.475 1.00 17.90 ? 58 HIS A CB 1 +ATOM 439 C CG . HIS A 1 58 ? 22.624 15.055 20.283 1.00 15.76 ? 58 HIS A CG 1 +ATOM 440 N ND1 . HIS A 1 58 ? 22.013 16.251 19.904 1.00 20.40 ? 58 HIS A ND1 1 +ATOM 441 C CD2 . HIS A 1 58 ? 22.075 14.631 21.390 1.00 20.31 ? 58 HIS A CD2 1 +ATOM 442 C CE1 . HIS A 1 58 ? 21.283 16.447 21.027 1.00 20.13 ? 58 HIS A CE1 1 +ATOM 443 N NE2 . HIS A 1 58 ? 21.201 15.523 21.766 1.00 21.08 ? 58 HIS A NE2 1 +ATOM 444 N N . GLY A 1 59 ? 26.499 14.754 21.076 1.00 14.95 ? 59 GLY A N 1 +ATOM 445 C CA . GLY A 1 59 ? 27.326 15.150 22.340 1.00 18.11 ? 59 GLY A CA 1 +ATOM 446 C C . GLY A 1 59 ? 28.073 16.237 22.353 1.00 19.85 ? 59 GLY A C 1 +ATOM 447 O O . GLY A 1 59 ? 28.089 17.241 23.214 1.00 15.36 ? 59 GLY A O 1 +ATOM 448 N N . LYS A 1 60 ? 28.653 16.636 21.141 1.00 17.17 ? 60 LYS A N 1 +ATOM 449 C CA . LYS A 1 60 ? 29.271 17.993 20.951 1.00 18.34 ? 60 LYS A CA 1 +ATOM 450 C C . LYS A 1 60 ? 28.618 19.182 21.070 1.00 18.03 ? 60 LYS A C 1 +ATOM 451 O O . LYS A 1 60 ? 28.786 20.158 21.544 1.00 18.72 ? 60 LYS A O 1 +ATOM 452 C CB . LYS A 1 60 ? 30.241 17.969 19.584 1.00 30.65 ? 60 LYS A CB 1 +ATOM 453 C CG . LYS A 1 60 ? 30.892 19.120 19.299 1.00 41.57 ? 60 LYS A CG 1 +ATOM 454 C CD . LYS A 1 60 ? 31.654 18.805 18.090 1.00 63.44 ? 60 LYS A CD 1 +ATOM 455 C CE . LYS A 1 60 ? 32.483 20.535 17.851 1.00 44.10 ? 60 LYS A CE 1 +ATOM 456 N NZ . LYS A 1 60 ? 33.349 19.000 15.825 1.00 49.08 ? 60 LYS A NZ 1 +ATOM 457 N N . LYS A 1 61 ? 27.305 18.891 20.381 1.00 16.33 ? 61 LYS A N 1 +ATOM 458 C CA . LYS A 1 61 ? 26.406 20.018 20.481 1.00 17.87 ? 61 LYS A CA 1 +ATOM 459 C C . LYS A 1 61 ? 25.667 20.310 21.972 1.00 14.89 ? 61 LYS A C 1 +ATOM 460 O O . LYS A 1 61 ? 25.719 21.471 22.204 1.00 19.71 ? 61 LYS A O 1 +ATOM 461 C CB . LYS A 1 61 ? 25.029 19.743 19.678 1.00 25.67 ? 61 LYS A CB 1 +ATOM 462 C CG . LYS A 1 61 ? 25.216 19.894 18.029 1.00 41.04 ? 61 LYS A CG 1 +ATOM 463 C CD . LYS A 1 61 ? 24.046 19.278 17.257 1.00 54.25 ? 61 LYS A CD 1 +ATOM 464 C CE . LYS A 1 61 ? 24.093 19.216 16.446 1.00 78.95 ? 61 LYS A CE 1 +ATOM 465 N NZ . LYS A 1 61 ? 22.888 18.634 15.330 1.00 43.58 ? 61 LYS A NZ 1 +ATOM 466 N N . VAL A 1 62 ? 25.705 19.160 22.515 1.00 15.10 ? 62 VAL A N 1 +ATOM 467 C CA . VAL A 1 62 ? 25.202 19.396 24.014 1.00 16.18 ? 62 VAL A CA 1 +ATOM 468 C C . VAL A 1 62 ? 26.390 20.196 25.013 1.00 18.93 ? 62 VAL A C 1 +ATOM 469 O O . VAL A 1 62 ? 25.976 21.171 25.503 1.00 16.64 ? 62 VAL A O 1 +ATOM 470 C CB . VAL A 1 62 ? 24.972 18.026 24.544 1.00 13.59 ? 62 VAL A CB 1 +ATOM 471 C CG1 . VAL A 1 62 ? 24.531 18.041 25.998 1.00 20.28 ? 62 VAL A CG1 1 +ATOM 472 C CG2 . VAL A 1 62 ? 23.606 17.650 23.950 1.00 17.24 ? 62 VAL A CG2 1 +ATOM 473 N N . ALA A 1 63 ? 27.460 19.600 24.531 1.00 18.60 ? 63 ALA A N 1 +ATOM 474 C CA . ALA A 1 63 ? 28.582 20.350 25.308 1.00 14.91 ? 63 ALA A CA 1 +ATOM 475 C C . ALA A 1 63 ? 29.003 21.573 24.888 1.00 18.47 ? 63 ALA A C 1 +ATOM 476 O O . ALA A 1 63 ? 29.102 22.574 25.751 1.00 18.58 ? 63 ALA A O 1 +ATOM 477 C CB . ALA A 1 63 ? 29.780 19.242 25.165 1.00 37.76 ? 63 ALA A CB 1 +ATOM 478 N N . ASP A 1 64 ? 28.781 22.101 23.577 1.00 16.80 ? 64 ASP A N 1 +ATOM 479 C CA . ASP A 1 64 ? 28.902 23.435 23.484 1.00 24.74 ? 64 ASP A CA 1 +ATOM 480 C C . ASP A 1 64 ? 27.900 24.509 23.946 1.00 17.12 ? 64 ASP A C 1 +ATOM 481 O O . ASP A 1 64 ? 28.207 25.466 24.430 1.00 22.08 ? 64 ASP A O 1 +ATOM 482 C CB . ASP A 1 64 ? 28.710 23.623 21.910 1.00 35.97 ? 64 ASP A CB 1 +ATOM 483 C CG . ASP A 1 64 ? 30.382 23.354 20.934 1.00 31.06 ? 64 ASP A CG 1 +ATOM 484 O OD1 . ASP A 1 64 ? 31.160 22.706 22.054 1.00 35.72 ? 64 ASP A OD1 1 +ATOM 485 O OD2 . ASP A 1 64 ? 29.911 23.194 19.746 1.00 43.58 ? 64 ASP A OD2 1 +ATOM 486 N N . ALA A 1 65 ? 26.556 23.841 23.922 1.00 13.28 ? 65 ALA A N 1 +ATOM 487 C CA . ALA A 1 65 ? 25.704 24.565 24.780 1.00 17.27 ? 65 ALA A CA 1 +ATOM 488 C C . ALA A 1 65 ? 25.941 24.743 26.360 1.00 13.03 ? 65 ALA A C 1 +ATOM 489 O O . ALA A 1 65 ? 25.682 25.885 26.689 1.00 17.77 ? 65 ALA A O 1 +ATOM 490 C CB . ALA A 1 65 ? 24.224 23.928 24.590 1.00 23.35 ? 65 ALA A CB 1 +ATOM 491 N N . LEU A 1 66 ? 26.522 23.690 26.759 1.00 15.51 ? 66 LEU A N 1 +ATOM 492 C CA . LEU A 1 66 ? 26.830 23.985 28.180 1.00 11.63 ? 66 LEU A CA 1 +ATOM 493 C C . LEU A 1 66 ? 27.994 24.879 28.298 1.00 19.15 ? 66 LEU A C 1 +ATOM 494 O O . LEU A 1 66 ? 28.003 25.809 29.226 1.00 19.52 ? 66 LEU A O 1 +ATOM 495 C CB . LEU A 1 66 ? 27.140 22.631 28.733 1.00 13.76 ? 66 LEU A CB 1 +ATOM 496 C CG . LEU A 1 66 ? 25.969 21.570 29.084 1.00 19.82 ? 66 LEU A CG 1 +ATOM 497 C CD1 . LEU A 1 66 ? 26.451 20.266 29.375 1.00 18.79 ? 66 LEU A CD1 1 +ATOM 498 C CD2 . LEU A 1 66 ? 24.927 22.136 29.936 1.00 21.54 ? 66 LEU A CD2 1 +ATOM 499 N N . THR A 1 67 ? 28.894 24.797 27.433 1.00 15.35 ? 67 THR A N 1 +ATOM 500 C CA . THR A 1 67 ? 29.987 25.722 27.322 1.00 19.22 ? 67 THR A CA 1 +ATOM 501 C C . THR A 1 67 ? 29.533 27.249 27.222 1.00 19.35 ? 67 THR A C 1 +ATOM 502 O O . THR A 1 67 ? 29.862 28.300 28.086 1.00 25.50 ? 67 THR A O 1 +ATOM 503 C CB . THR A 1 67 ? 31.052 25.304 26.397 1.00 27.92 ? 67 THR A CB 1 +ATOM 504 O OG1 . THR A 1 67 ? 31.573 24.356 26.523 1.00 31.77 ? 67 THR A OG1 1 +ATOM 505 C CG2 . THR A 1 67 ? 31.872 26.620 26.101 1.00 31.55 ? 67 THR A CG2 1 +ATOM 506 N N . ASN A 1 68 ? 28.527 27.377 26.364 1.00 18.73 ? 68 ASN A N 1 +ATOM 507 C CA . ASN A 1 68 ? 27.903 28.765 26.282 1.00 18.68 ? 68 ASN A CA 1 +ATOM 508 C C . ASN A 1 68 ? 27.199 29.150 27.441 1.00 24.52 ? 68 ASN A C 1 +ATOM 509 O O . ASN A 1 68 ? 27.276 30.433 27.981 1.00 25.75 ? 68 ASN A O 1 +ATOM 510 C CB . ASN A 1 68 ? 26.831 28.696 25.264 1.00 25.79 ? 68 ASN A CB 1 +ATOM 511 C CG . ASN A 1 68 ? 26.000 30.047 25.032 1.00 36.65 ? 68 ASN A CG 1 +ATOM 512 O OD1 . ASN A 1 68 ? 26.556 31.024 25.062 1.00 38.63 ? 68 ASN A OD1 1 +ATOM 513 N ND2 . ASN A 1 68 ? 24.805 30.037 24.375 1.00 39.67 ? 68 ASN A ND2 1 +ATOM 514 N N . ALA A 1 69 ? 26.532 28.200 28.365 1.00 17.85 ? 69 ALA A N 1 +ATOM 515 C CA . ALA A 1 69 ? 25.790 28.757 29.513 1.00 16.12 ? 69 ALA A CA 1 +ATOM 516 C C . ALA A 1 69 ? 26.891 29.054 30.649 1.00 15.28 ? 69 ALA A C 1 +ATOM 517 O O . ALA A 1 69 ? 26.657 29.867 31.341 1.00 20.90 ? 69 ALA A O 1 +ATOM 518 C CB . ALA A 1 69 ? 25.155 27.554 29.987 1.00 21.91 ? 69 ALA A CB 1 +ATOM 519 N N . VAL A 1 70 ? 28.057 28.189 30.632 1.00 18.42 ? 70 VAL A N 1 +ATOM 520 C CA . VAL A 1 70 ? 29.133 28.642 31.705 1.00 18.79 ? 70 VAL A CA 1 +ATOM 521 C C . VAL A 1 70 ? 29.720 29.997 31.369 1.00 21.40 ? 70 VAL A C 1 +ATOM 522 O O . VAL A 1 70 ? 29.832 30.776 32.297 1.00 22.44 ? 70 VAL A O 1 +ATOM 523 C CB . VAL A 1 70 ? 30.103 27.675 31.660 1.00 19.75 ? 70 VAL A CB 1 +ATOM 524 C CG1 . VAL A 1 70 ? 31.421 27.766 32.467 1.00 24.49 ? 70 VAL A CG1 1 +ATOM 525 C CG2 . VAL A 1 70 ? 29.603 26.303 32.220 1.00 30.23 ? 70 VAL A CG2 1 +ATOM 526 N N . ALA A 1 71 ? 29.816 30.392 30.095 1.00 20.17 ? 71 ALA A N 1 +ATOM 527 C CA . ALA A 1 71 ? 30.256 31.825 29.607 1.00 23.56 ? 71 ALA A CA 1 +ATOM 528 C C . ALA A 1 71 ? 29.353 32.490 30.015 1.00 25.98 ? 71 ALA A C 1 +ATOM 529 O O . ALA A 1 71 ? 29.851 33.820 30.274 1.00 33.09 ? 71 ALA A O 1 +ATOM 530 C CB . ALA A 1 71 ? 30.419 31.647 28.256 1.00 32.78 ? 71 ALA A CB 1 +ATOM 531 N N . HIS A 1 72 ? 28.051 32.486 30.131 1.00 23.78 ? 72 HIS A N 1 +ATOM 532 C CA . HIS A 1 72 ? 27.118 33.426 30.392 1.00 21.95 ? 72 HIS A CA 1 +ATOM 533 C C . HIS A 1 72 ? 26.318 33.218 31.471 1.00 20.17 ? 72 HIS A C 1 +ATOM 534 O O . HIS A 1 72 ? 25.022 33.226 31.566 1.00 23.99 ? 72 HIS A O 1 +ATOM 535 C CB . HIS A 1 72 ? 25.883 33.619 29.126 1.00 35.07 ? 72 HIS A CB 1 +ATOM 536 C CG . HIS A 1 72 ? 26.911 33.711 28.299 1.00 34.89 ? 72 HIS A CG 1 +ATOM 537 N ND1 . HIS A 1 72 ? 27.114 35.271 27.331 1.00 43.74 ? 72 HIS A ND1 1 +ATOM 538 C CD2 . HIS A 1 72 ? 27.382 33.349 26.946 1.00 29.96 ? 72 HIS A CD2 1 +ATOM 539 C CE1 . HIS A 1 72 ? 28.394 35.349 26.783 1.00 41.69 ? 72 HIS A CE1 1 +ATOM 540 N NE2 . HIS A 1 72 ? 28.236 34.244 25.890 1.00 44.85 ? 72 HIS A NE2 1 +ATOM 541 N N . VAL A 1 73 ? 26.878 32.677 32.654 1.00 23.31 ? 73 VAL A N 1 +ATOM 542 C CA . VAL A 1 73 ? 26.152 32.112 33.889 1.00 23.32 ? 73 VAL A CA 1 +ATOM 543 C C . VAL A 1 73 ? 25.301 32.867 34.300 1.00 32.07 ? 73 VAL A C 1 +ATOM 544 O O . VAL A 1 73 ? 24.197 32.912 34.748 1.00 42.18 ? 73 VAL A O 1 +ATOM 545 C CB . VAL A 1 73 ? 27.058 31.518 34.709 1.00 41.19 ? 73 VAL A CB 1 +ATOM 546 C CG1 . VAL A 1 73 ? 28.147 32.256 35.265 1.00 52.76 ? 73 VAL A CG1 1 +ATOM 547 C CG2 . VAL A 1 73 ? 26.694 30.313 35.284 1.00 47.91 ? 73 VAL A CG2 1 +ATOM 548 N N . ASP A 1 74 ? 25.723 34.236 34.274 1.00 30.40 ? 74 ASP A N 1 +ATOM 549 C CA . ASP A 1 74 ? 24.798 35.390 34.896 1.00 34.95 ? 74 ASP A CA 1 +ATOM 550 C C . ASP A 1 74 ? 23.635 35.478 33.755 1.00 50.97 ? 74 ASP A C 1 +ATOM 551 O O . ASP A 1 74 ? 22.893 36.427 34.367 1.00 49.62 ? 74 ASP A O 1 +ATOM 552 C CB . ASP A 1 74 ? 25.550 36.712 34.857 1.00 42.77 ? 74 ASP A CB 1 +ATOM 553 C CG . ASP A 1 74 ? 26.764 36.525 36.170 1.00 52.01 ? 74 ASP A CG 1 +ATOM 554 O OD1 . ASP A 1 74 ? 26.666 36.159 36.871 1.00 49.67 ? 74 ASP A OD1 1 +ATOM 555 O OD2 . ASP A 1 74 ? 28.285 36.614 35.781 1.00 51.46 ? 74 ASP A OD2 1 +ATOM 556 N N . ASP A 1 75 ? 23.431 35.326 32.866 1.00 36.55 ? 75 ASP A N 1 +ATOM 557 C CA . ASP A 1 75 ? 22.132 35.469 31.993 1.00 36.46 ? 75 ASP A CA 1 +ATOM 558 C C . ASP A 1 75 ? 22.081 34.217 30.986 1.00 19.07 ? 75 ASP A C 1 +ATOM 559 O O . ASP A 1 75 ? 21.728 34.406 29.722 1.00 22.77 ? 75 ASP A O 1 +ATOM 560 C CB . ASP A 1 75 ? 22.999 36.443 30.512 1.00 64.13 ? 75 ASP A CB 1 +ATOM 561 C CG . ASP A 1 75 ? 22.481 36.822 30.729 1.00 74.46 ? 75 ASP A CG 1 +ATOM 562 O OD1 . ASP A 1 75 ? 21.068 37.933 30.461 1.00 47.43 ? 75 ASP A OD1 1 +ATOM 563 O OD2 . ASP A 1 75 ? 22.442 37.209 28.730 1.00 60.83 ? 75 ASP A OD2 1 +ATOM 564 N N . MET A 1 76 ? 21.728 33.315 31.769 1.00 28.83 ? 76 MET A N 1 +ATOM 565 C CA . MET A 1 76 ? 21.515 32.000 30.873 1.00 25.75 ? 76 MET A CA 1 +ATOM 566 C C . MET A 1 76 ? 20.042 31.923 30.225 1.00 26.47 ? 76 MET A C 1 +ATOM 567 O O . MET A 1 76 ? 20.000 31.526 29.075 1.00 25.06 ? 76 MET A O 1 +ATOM 568 C CB . MET A 1 76 ? 21.373 30.888 32.076 1.00 26.87 ? 76 MET A CB 1 +ATOM 569 C CG . MET A 1 76 ? 22.421 30.504 32.032 1.00 44.91 ? 76 MET A CG 1 +ATOM 570 S SD . MET A 1 76 ? 22.668 28.752 33.000 1.00 43.69 ? 76 MET A SD 1 +ATOM 571 C CE . MET A 1 76 ? 22.741 28.828 34.435 1.00 47.45 ? 76 MET A CE 1 +ATOM 572 N N . PRO A 1 77 ? 19.180 32.562 30.779 1.00 24.72 ? 77 PRO A N 1 +ATOM 573 C CA . PRO A 1 77 ? 18.176 32.924 29.953 1.00 32.25 ? 77 PRO A CA 1 +ATOM 574 C C . PRO A 1 77 ? 18.283 33.291 28.734 1.00 33.71 ? 77 PRO A C 1 +ATOM 575 O O . PRO A 1 77 ? 17.566 32.773 27.608 1.00 27.50 ? 77 PRO A O 1 +ATOM 576 C CB . PRO A 1 77 ? 16.910 33.703 30.819 1.00 35.42 ? 77 PRO A CB 1 +ATOM 577 C CG . PRO A 1 77 ? 17.589 33.234 32.132 1.00 42.65 ? 77 PRO A CG 1 +ATOM 578 C CD . PRO A 1 77 ? 18.904 32.981 32.140 1.00 26.77 ? 77 PRO A CD 1 +ATOM 579 N N . ASN A 1 78 ? 18.884 34.434 28.426 1.00 28.71 ? 78 ASN A N 1 +ATOM 580 C CA . ASN A 1 78 ? 19.028 35.114 27.274 1.00 29.25 ? 78 ASN A CA 1 +ATOM 581 C C . ASN A 1 78 ? 20.042 34.292 26.488 1.00 25.30 ? 78 ASN A C 1 +ATOM 582 O O . ASN A 1 78 ? 19.826 33.801 25.201 1.00 31.49 ? 78 ASN A O 1 +ATOM 583 C CB . ASN A 1 78 ? 19.616 36.562 27.071 1.00 52.85 ? 78 ASN A CB 1 +ATOM 584 C CG . ASN A 1 78 ? 19.043 37.223 27.187 1.00 62.76 ? 78 ASN A CG 1 +ATOM 585 O OD1 . ASN A 1 78 ? 18.416 38.053 28.975 1.00 71.55 ? 78 ASN A OD1 1 +ATOM 586 N ND2 . ASN A 1 78 ? 18.035 37.532 26.804 1.00 72.60 ? 78 ASN A ND2 1 +ATOM 587 N N . ALA A 1 79 ? 21.001 33.685 27.082 1.00 21.06 ? 79 ALA A N 1 +ATOM 588 C CA . ALA A 1 79 ? 22.002 32.897 26.398 1.00 28.88 ? 79 ALA A CA 1 +ATOM 589 C C . ALA A 1 79 ? 21.427 31.515 25.591 1.00 27.69 ? 79 ALA A C 1 +ATOM 590 O O . ALA A 1 79 ? 21.833 31.257 24.500 1.00 25.51 ? 79 ALA A O 1 +ATOM 591 C CB . ALA A 1 79 ? 23.049 32.613 27.237 1.00 35.64 ? 79 ALA A CB 1 +ATOM 592 N N . LEU A 1 80 ? 20.637 30.953 26.329 1.00 22.21 ? 80 LEU A N 1 +ATOM 593 C CA . LEU A 1 80 ? 19.923 29.569 25.986 1.00 24.91 ? 80 LEU A CA 1 +ATOM 594 C C . LEU A 1 80 ? 18.656 29.915 25.159 1.00 29.49 ? 80 LEU A C 1 +ATOM 595 O O . LEU A 1 80 ? 17.846 28.929 25.043 1.00 21.47 ? 80 LEU A O 1 +ATOM 596 C CB . LEU A 1 80 ? 19.802 28.621 27.129 1.00 17.03 ? 80 LEU A CB 1 +ATOM 597 C CG . LEU A 1 80 ? 21.190 28.251 27.752 1.00 26.04 ? 80 LEU A CG 1 +ATOM 598 C CD1 . LEU A 1 80 ? 20.923 27.416 28.907 1.00 30.97 ? 80 LEU A CD1 1 +ATOM 599 C CD2 . LEU A 1 80 ? 21.925 27.484 26.552 1.00 40.31 ? 80 LEU A CD2 1 +ATOM 600 N N . SER A 1 81 ? 18.189 31.243 24.838 1.00 21.07 ? 81 SER A N 1 +ATOM 601 C CA . SER A 1 81 ? 16.735 31.300 24.540 1.00 18.09 ? 81 SER A CA 1 +ATOM 602 C C . SER A 1 81 ? 16.482 30.612 23.271 1.00 20.48 ? 81 SER A C 1 +ATOM 603 O O . SER A 1 81 ? 15.305 29.944 23.188 1.00 25.77 ? 81 SER A O 1 +ATOM 604 C CB . SER A 1 81 ? 17.030 33.153 23.839 1.00 32.64 ? 81 SER A CB 1 +ATOM 605 O OG . SER A 1 81 ? 15.549 33.222 23.885 1.00 44.30 ? 81 SER A OG 1 +ATOM 606 N N . ALA A 1 82 ? 17.241 30.273 22.317 1.00 23.80 ? 82 ALA A N 1 +ATOM 607 C CA . ALA A 1 82 ? 17.142 29.608 21.116 1.00 21.23 ? 82 ALA A CA 1 +ATOM 608 C C . ALA A 1 82 ? 16.699 28.277 21.510 1.00 19.91 ? 82 ALA A C 1 +ATOM 609 O O . ALA A 1 82 ? 15.902 27.485 20.957 1.00 24.36 ? 82 ALA A O 1 +ATOM 610 C CB . ALA A 1 82 ? 18.236 29.609 20.052 1.00 22.94 ? 82 ALA A CB 1 +ATOM 611 N N . LEU A 1 83 ? 17.653 27.657 22.340 1.00 18.35 ? 83 LEU A N 1 +ATOM 612 C CA . LEU A 1 83 ? 17.367 26.154 22.574 1.00 19.01 ? 83 LEU A CA 1 +ATOM 613 C C . LEU A 1 83 ? 16.368 25.989 23.593 1.00 18.91 ? 83 LEU A C 1 +ATOM 614 O O . LEU A 1 83 ? 15.610 24.935 23.499 1.00 18.17 ? 83 LEU A O 1 +ATOM 615 C CB . LEU A 1 83 ? 18.638 25.756 23.452 1.00 22.27 ? 83 LEU A CB 1 +ATOM 616 C CG . LEU A 1 83 ? 19.363 24.804 23.203 1.00 34.66 ? 83 LEU A CG 1 +ATOM 617 C CD1 . LEU A 1 83 ? 19.584 24.723 21.636 1.00 28.24 ? 83 LEU A CD1 1 +ATOM 618 C CD2 . LEU A 1 83 ? 21.040 24.899 23.408 1.00 38.79 ? 83 LEU A CD2 1 +ATOM 619 N N . SER A 1 84 ? 15.902 26.869 24.424 1.00 13.22 ? 84 SER A N 1 +ATOM 620 C CA . SER A 1 84 ? 14.661 26.676 25.091 1.00 14.54 ? 84 SER A CA 1 +ATOM 621 C C . SER A 1 84 ? 13.310 26.681 24.249 1.00 13.50 ? 84 SER A C 1 +ATOM 622 O O . SER A 1 84 ? 12.480 25.985 24.569 1.00 20.19 ? 84 SER A O 1 +ATOM 623 C CB . SER A 1 84 ? 14.135 27.827 26.398 1.00 25.45 ? 84 SER A CB 1 +ATOM 624 O OG . SER A 1 84 ? 14.979 28.671 26.146 1.00 36.19 ? 84 SER A OG 1 +ATOM 625 N N . ASP A 1 85 ? 13.484 27.575 23.204 1.00 15.99 ? 85 ASP A N 1 +ATOM 626 C CA . ASP A 1 85 ? 12.162 27.501 22.245 1.00 18.10 ? 85 ASP A CA 1 +ATOM 627 C C . ASP A 1 85 ? 12.138 26.277 21.471 1.00 20.71 ? 85 ASP A C 1 +ATOM 628 O O . ASP A 1 85 ? 11.231 25.609 21.457 1.00 20.01 ? 85 ASP A O 1 +ATOM 629 C CB . ASP A 1 85 ? 12.463 28.553 21.171 1.00 30.89 ? 85 ASP A CB 1 +ATOM 630 C CG . ASP A 1 85 ? 12.102 29.856 21.952 1.00 57.00 ? 85 ASP A CG 1 +ATOM 631 O OD1 . ASP A 1 85 ? 11.504 30.086 22.343 1.00 51.34 ? 85 ASP A OD1 1 +ATOM 632 O OD2 . ASP A 1 85 ? 12.666 31.158 20.962 1.00 50.68 ? 85 ASP A OD2 1 +ATOM 633 N N . LEU A 1 86 ? 13.374 25.607 21.110 1.00 20.13 ? 86 LEU A N 1 +ATOM 634 C CA . LEU A 1 86 ? 13.448 24.432 20.415 1.00 17.03 ? 86 LEU A CA 1 +ATOM 635 C C . LEU A 1 86 ? 12.876 23.268 21.176 1.00 14.48 ? 86 LEU A C 1 +ATOM 636 O O . LEU A 1 86 ? 12.215 22.352 20.743 1.00 18.46 ? 86 LEU A O 1 +ATOM 637 C CB . LEU A 1 86 ? 14.980 24.212 19.994 1.00 16.01 ? 86 LEU A CB 1 +ATOM 638 C CG . LEU A 1 86 ? 15.169 23.110 19.418 1.00 23.66 ? 86 LEU A CG 1 +ATOM 639 C CD1 . LEU A 1 86 ? 14.819 23.101 17.957 1.00 40.43 ? 86 LEU A CD1 1 +ATOM 640 C CD2 . LEU A 1 86 ? 16.643 22.388 19.121 1.00 33.72 ? 86 LEU A CD2 1 +ATOM 641 N N . HIS A 1 87 ? 13.369 23.355 22.561 1.00 12.17 ? 87 HIS A N 1 +ATOM 642 C CA . HIS A 1 87 ? 12.943 22.052 23.237 1.00 12.85 ? 87 HIS A CA 1 +ATOM 643 C C . HIS A 1 87 ? 11.269 22.286 23.707 1.00 15.39 ? 87 HIS A C 1 +ATOM 644 O O . HIS A 1 87 ? 10.689 21.261 23.717 1.00 15.03 ? 87 HIS A O 1 +ATOM 645 C CB . HIS A 1 87 ? 13.660 21.990 24.672 1.00 13.63 ? 87 HIS A CB 1 +ATOM 646 C CG . HIS A 1 87 ? 15.021 21.223 24.304 1.00 14.91 ? 87 HIS A CG 1 +ATOM 647 N ND1 . HIS A 1 87 ? 16.112 22.133 23.814 1.00 15.35 ? 87 HIS A ND1 1 +ATOM 648 C CD2 . HIS A 1 87 ? 15.621 20.053 24.418 1.00 17.85 ? 87 HIS A CD2 1 +ATOM 649 C CE1 . HIS A 1 87 ? 17.080 21.246 23.554 1.00 15.29 ? 87 HIS A CE1 1 +ATOM 650 N NE2 . HIS A 1 87 ? 16.894 20.030 24.002 1.00 15.64 ? 87 HIS A NE2 1 +ATOM 651 N N . ALA A 1 88 ? 11.017 23.539 23.811 1.00 19.56 ? 88 ALA A N 1 +ATOM 652 C CA . ALA A 1 88 ? 9.545 23.815 24.255 1.00 16.45 ? 88 ALA A CA 1 +ATOM 653 C C . ALA A 1 88 ? 8.528 23.379 22.921 1.00 28.29 ? 88 ALA A C 1 +ATOM 654 O O . ALA A 1 88 ? 7.580 23.093 23.293 1.00 25.27 ? 88 ALA A O 1 +ATOM 655 C CB . ALA A 1 88 ? 9.250 25.108 24.951 1.00 17.34 ? 88 ALA A CB 1 +ATOM 656 N N . HIS A 1 89 ? 9.023 23.978 21.881 1.00 21.56 ? 89 HIS A N 1 +ATOM 657 C CA . HIS A 1 89 ? 8.146 23.939 20.770 1.00 29.42 ? 89 HIS A CA 1 +ATOM 658 C C . HIS A 1 89 ? 8.153 22.948 19.753 1.00 27.17 ? 89 HIS A C 1 +ATOM 659 O O . HIS A 1 89 ? 7.206 22.405 19.052 1.00 22.35 ? 89 HIS A O 1 +ATOM 660 C CB . HIS A 1 89 ? 8.116 25.270 20.105 1.00 26.26 ? 89 HIS A CB 1 +ATOM 661 C CG . HIS A 1 89 ? 7.714 26.366 20.955 1.00 44.45 ? 89 HIS A CG 1 +ATOM 662 N ND1 . HIS A 1 89 ? 6.646 26.385 21.884 1.00 45.59 ? 89 HIS A ND1 1 +ATOM 663 C CD2 . HIS A 1 89 ? 8.393 27.678 21.360 1.00 45.61 ? 89 HIS A CD2 1 +ATOM 664 C CE1 . HIS A 1 89 ? 6.507 27.346 22.939 1.00 42.72 ? 89 HIS A CE1 1 +ATOM 665 N NE2 . HIS A 1 89 ? 7.546 27.974 22.269 1.00 43.49 ? 89 HIS A NE2 1 +ATOM 666 N N . LYS A 1 90 ? 9.239 22.247 19.555 1.00 18.65 ? 90 LYS A N 1 +ATOM 667 C CA . LYS A 1 90 ? 9.580 21.241 18.851 1.00 28.92 ? 90 LYS A CA 1 +ATOM 668 C C . LYS A 1 90 ? 9.844 19.831 19.166 1.00 28.09 ? 90 LYS A C 1 +ATOM 669 O O . LYS A 1 90 ? 9.116 18.958 19.169 1.00 25.04 ? 90 LYS A O 1 +ATOM 670 C CB . LYS A 1 90 ? 10.799 21.726 17.783 1.00 32.47 ? 90 LYS A CB 1 +ATOM 671 C CG . LYS A 1 90 ? 10.208 23.051 16.857 1.00 49.97 ? 90 LYS A CG 1 +ATOM 672 C CD . LYS A 1 90 ? 9.245 23.014 16.161 1.00 58.54 ? 90 LYS A CD 1 +ATOM 673 C CE . LYS A 1 90 ? 9.829 24.267 14.948 1.00 66.22 ? 90 LYS A CE 1 +ATOM 674 N NZ . LYS A 1 90 ? 7.249 23.686 14.601 1.00 63.54 ? 90 LYS A NZ 1 +ATOM 675 N N . LEU A 1 91 ? 10.820 19.765 20.120 1.00 17.50 ? 91 LEU A N 1 +ATOM 676 C CA . LEU A 1 91 ? 11.331 18.550 20.540 1.00 15.47 ? 91 LEU A CA 1 +ATOM 677 C C . LEU A 1 91 ? 10.393 17.922 21.662 1.00 18.54 ? 91 LEU A C 1 +ATOM 678 O O . LEU A 1 91 ? 10.088 16.751 21.575 1.00 17.03 ? 91 LEU A O 1 +ATOM 679 C CB . LEU A 1 91 ? 12.846 18.568 21.209 1.00 13.84 ? 91 LEU A CB 1 +ATOM 680 C CG . LEU A 1 91 ? 13.894 19.019 20.201 1.00 16.01 ? 91 LEU A CG 1 +ATOM 681 C CD1 . LEU A 1 91 ? 15.091 19.254 20.693 1.00 18.27 ? 91 LEU A CD1 1 +ATOM 682 C CD2 . LEU A 1 91 ? 13.860 18.151 19.034 1.00 22.12 ? 91 LEU A CD2 1 +ATOM 683 N N . ARG A 1 92 ? 10.096 18.794 22.561 1.00 18.03 ? 92 ARG A N 1 +ATOM 684 C CA . ARG A 1 92 ? 8.982 18.475 23.626 1.00 14.41 ? 92 ARG A CA 1 +ATOM 685 C C . ARG A 1 92 ? 9.315 17.390 24.390 1.00 15.84 ? 92 ARG A C 1 +ATOM 686 O O . ARG A 1 92 ? 8.545 16.391 24.699 1.00 17.92 ? 92 ARG A O 1 +ATOM 687 C CB . ARG A 1 92 ? 7.568 18.415 22.788 1.00 18.61 ? 92 ARG A CB 1 +ATOM 688 C CG . ARG A 1 92 ? 7.080 19.614 22.422 1.00 25.14 ? 92 ARG A CG 1 +ATOM 689 C CD . ARG A 1 92 ? 6.263 19.222 20.361 1.00 53.25 ? 92 ARG A CD 1 +ATOM 690 N NE . ARG A 1 92 ? 5.775 19.838 21.449 1.00 51.61 ? 92 ARG A NE 1 +ATOM 691 C CZ . ARG A 1 92 ? 4.678 19.502 19.150 1.00 59.18 ? 92 ARG A CZ 1 +ATOM 692 N NH1 . ARG A 1 92 ? 5.696 18.611 18.508 1.00 31.30 ? 92 ARG A NH1 1 +ATOM 693 N NH2 . ARG A 1 92 ? 3.901 19.647 19.471 1.00 36.70 ? 92 ARG A NH2 1 +ATOM 694 N N . VAL A 1 93 ? 10.450 17.265 24.950 1.00 14.32 ? 93 VAL A N 1 +ATOM 695 C CA . VAL A 1 93 ? 11.029 16.299 25.838 1.00 16.19 ? 93 VAL A CA 1 +ATOM 696 C C . VAL A 1 93 ? 10.463 16.413 27.093 1.00 13.83 ? 93 VAL A C 1 +ATOM 697 O O . VAL A 1 93 ? 10.481 17.529 27.810 1.00 14.88 ? 93 VAL A O 1 +ATOM 698 C CB . VAL A 1 93 ? 12.521 16.421 25.936 1.00 12.60 ? 93 VAL A CB 1 +ATOM 699 C CG1 . VAL A 1 93 ? 13.018 15.448 26.927 1.00 15.68 ? 93 VAL A CG1 1 +ATOM 700 C CG2 . VAL A 1 93 ? 13.175 16.259 24.534 1.00 15.91 ? 93 VAL A CG2 1 +ATOM 701 N N . ASP A 1 94 ? 9.877 15.404 27.801 1.00 14.66 ? 94 ASP A N 1 +ATOM 702 C CA . ASP A 1 94 ? 9.139 15.576 29.102 1.00 11.73 ? 94 ASP A CA 1 +ATOM 703 C C . ASP A 1 94 ? 10.382 16.098 30.122 1.00 12.54 ? 94 ASP A C 1 +ATOM 704 O O . ASP A 1 94 ? 11.372 15.545 30.049 1.00 16.42 ? 94 ASP A O 1 +ATOM 705 C CB . ASP A 1 94 ? 8.749 14.222 29.591 1.00 12.92 ? 94 ASP A CB 1 +ATOM 706 C CG . ASP A 1 94 ? 7.889 14.502 30.818 1.00 22.91 ? 94 ASP A CG 1 +ATOM 707 O OD1 . ASP A 1 94 ? 6.670 14.605 30.774 1.00 22.17 ? 94 ASP A OD1 1 +ATOM 708 O OD2 . ASP A 1 94 ? 8.490 14.600 31.919 1.00 19.01 ? 94 ASP A OD2 1 +ATOM 709 N N . PRO A 1 95 ? 10.036 16.903 31.026 1.00 16.46 ? 95 PRO A N 1 +ATOM 710 C CA . PRO A 1 95 ? 11.018 17.573 31.839 1.00 14.67 ? 95 PRO A CA 1 +ATOM 711 C C . PRO A 1 95 ? 11.600 16.528 32.668 1.00 17.74 ? 95 PRO A C 1 +ATOM 712 O O . PRO A 1 95 ? 12.831 16.813 33.158 1.00 22.38 ? 95 PRO A O 1 +ATOM 713 C CB . PRO A 1 95 ? 10.255 18.390 32.773 1.00 22.16 ? 95 PRO A CB 1 +ATOM 714 C CG . PRO A 1 95 ? 9.279 19.007 31.875 1.00 21.38 ? 95 PRO A CG 1 +ATOM 715 C CD . PRO A 1 95 ? 8.838 17.824 31.026 1.00 20.78 ? 95 PRO A CD 1 +ATOM 716 N N . VAL A 1 96 ? 11.094 15.369 32.998 1.00 13.01 ? 96 VAL A N 1 +ATOM 717 C CA . VAL A 1 96 ? 11.818 14.490 33.880 1.00 11.93 ? 96 VAL A CA 1 +ATOM 718 C C . VAL A 1 96 ? 13.110 14.055 33.442 1.00 21.27 ? 96 VAL A C 1 +ATOM 719 O O . VAL A 1 96 ? 14.061 13.636 34.018 1.00 16.07 ? 96 VAL A O 1 +ATOM 720 C CB . VAL A 1 96 ? 10.746 13.223 34.202 1.00 29.83 ? 96 VAL A CB 1 +ATOM 721 C CG1 . VAL A 1 96 ? 10.636 12.376 33.493 1.00 48.43 ? 96 VAL A CG1 1 +ATOM 722 C CG2 . VAL A 1 96 ? 11.211 12.884 35.042 1.00 70.91 ? 96 VAL A CG2 1 +ATOM 723 N N . ASN A 1 97 ? 13.198 14.031 32.013 1.00 15.63 ? 97 ASN A N 1 +ATOM 724 C CA . ASN A 1 97 ? 14.422 13.357 31.439 1.00 10.10 ? 97 ASN A CA 1 +ATOM 725 C C . ASN A 1 97 ? 15.668 14.400 31.471 1.00 4.91 ? 97 ASN A C 1 +ATOM 726 O O . ASN A 1 97 ? 16.742 13.804 31.479 1.00 9.67 ? 97 ASN A O 1 +ATOM 727 C CB . ASN A 1 97 ? 14.255 13.082 29.893 1.00 13.43 ? 97 ASN A CB 1 +ATOM 728 C CG . ASN A 1 97 ? 13.203 12.042 29.782 1.00 17.91 ? 97 ASN A CG 1 +ATOM 729 O OD1 . ASN A 1 97 ? 13.400 10.905 29.862 1.00 10.92 ? 97 ASN A OD1 1 +ATOM 730 N ND2 . ASN A 1 97 ? 11.883 12.627 29.469 1.00 21.96 ? 97 ASN A ND2 1 +ATOM 731 N N . PHE A 1 98 ? 15.454 15.613 31.826 1.00 9.20 ? 98 PHE A N 1 +ATOM 732 C CA . PHE A 1 98 ? 16.514 16.576 32.022 1.00 12.10 ? 98 PHE A CA 1 +ATOM 733 C C . PHE A 1 98 ? 17.359 16.153 33.342 1.00 12.02 ? 98 PHE A C 1 +ATOM 734 O O . PHE A 1 98 ? 18.668 16.201 33.344 1.00 11.50 ? 98 PHE A O 1 +ATOM 735 C CB . PHE A 1 98 ? 16.213 18.094 32.094 1.00 16.66 ? 98 PHE A CB 1 +ATOM 736 C CG . PHE A 1 98 ? 15.656 18.483 30.822 1.00 14.23 ? 98 PHE A CG 1 +ATOM 737 C CD1 . PHE A 1 98 ? 16.581 19.170 30.099 1.00 16.70 ? 98 PHE A CD1 1 +ATOM 738 C CD2 . PHE A 1 98 ? 14.368 18.262 30.377 1.00 12.76 ? 98 PHE A CD2 1 +ATOM 739 C CE1 . PHE A 1 98 ? 16.216 19.599 28.986 1.00 23.57 ? 98 PHE A CE1 1 +ATOM 740 C CE2 . PHE A 1 98 ? 14.023 18.675 29.011 1.00 15.74 ? 98 PHE A CE2 1 +ATOM 741 C CZ . PHE A 1 98 ? 14.964 19.283 28.484 1.00 17.50 ? 98 PHE A CZ 1 +ATOM 742 N N . LYS A 1 99 ? 16.726 15.616 34.363 1.00 13.69 ? 99 LYS A N 1 +ATOM 743 C CA . LYS A 1 99 ? 17.454 15.015 35.527 1.00 13.57 ? 99 LYS A CA 1 +ATOM 744 C C . LYS A 1 99 ? 18.070 13.857 35.323 1.00 14.35 ? 99 LYS A C 1 +ATOM 745 O O . LYS A 1 99 ? 19.246 13.843 35.836 1.00 13.29 ? 99 LYS A O 1 +ATOM 746 C CB . LYS A 1 99 ? 16.282 14.903 36.646 1.00 22.01 ? 99 LYS A CB 1 +ATOM 747 C CG . LYS A 1 99 ? 15.507 15.642 36.853 1.00 54.35 ? 99 LYS A CG 1 +ATOM 748 C CD . LYS A 1 99 ? 15.051 15.827 37.720 1.00 72.56 ? 99 LYS A CD 1 +ATOM 749 C CE . LYS A 1 99 ? 13.360 14.885 37.925 1.00 73.99 ? 99 LYS A CE 1 +ATOM 750 N NZ . LYS A 1 99 ? 12.431 16.281 39.350 1.00 80.12 ? 99 LYS A NZ 1 +ATOM 751 N N . LEU A 1 100 ? 17.756 13.069 34.307 1.00 9.89 ? 100 LEU A N 1 +ATOM 752 C CA . LEU A 1 100 ? 18.442 11.879 34.037 1.00 8.80 ? 100 LEU A CA 1 +ATOM 753 C C . LEU A 1 100 ? 19.685 12.195 33.255 1.00 9.28 ? 100 LEU A C 1 +ATOM 754 O O . LEU A 1 100 ? 20.768 11.674 33.627 1.00 12.09 ? 100 LEU A O 1 +ATOM 755 C CB . LEU A 1 100 ? 17.575 10.876 33.345 1.00 11.00 ? 100 LEU A CB 1 +ATOM 756 C CG . LEU A 1 100 ? 16.276 10.692 33.948 1.00 16.83 ? 100 LEU A CG 1 +ATOM 757 C CD1 . LEU A 1 100 ? 15.380 9.564 33.086 1.00 20.94 ? 100 LEU A CD1 1 +ATOM 758 C CD2 . LEU A 1 100 ? 16.543 9.775 35.154 1.00 18.49 ? 100 LEU A CD2 1 +ATOM 759 N N . LEU A 1 101 ? 19.694 13.056 32.271 1.00 8.39 ? 101 LEU A N 1 +ATOM 760 C CA . LEU A 1 101 ? 20.901 13.404 31.570 1.00 10.30 ? 101 LEU A CA 1 +ATOM 761 C C . LEU A 1 101 ? 21.812 14.257 32.401 1.00 14.49 ? 101 LEU A C 1 +ATOM 762 O O . LEU A 1 101 ? 23.089 14.040 32.549 1.00 16.14 ? 101 LEU A O 1 +ATOM 763 C CB . LEU A 1 101 ? 20.471 14.278 30.463 1.00 11.44 ? 101 LEU A CB 1 +ATOM 764 C CG . LEU A 1 101 ? 21.739 14.747 29.620 1.00 15.06 ? 101 LEU A CG 1 +ATOM 765 C CD1 . LEU A 1 101 ? 22.668 13.778 29.142 1.00 17.72 ? 101 LEU A CD1 1 +ATOM 766 C CD2 . LEU A 1 101 ? 21.165 15.689 28.431 1.00 19.38 ? 101 LEU A CD2 1 +ATOM 767 N N . SER A 1 102 ? 21.320 15.125 33.447 1.00 15.17 ? 102 SER A N 1 +ATOM 768 C CA . SER A 1 102 ? 22.133 15.859 34.357 1.00 9.19 ? 102 SER A CA 1 +ATOM 769 C C . SER A 1 102 ? 22.949 14.793 35.226 1.00 9.91 ? 102 SER A C 1 +ATOM 770 O O . SER A 1 102 ? 24.210 15.034 35.472 1.00 14.07 ? 102 SER A O 1 +ATOM 771 C CB . SER A 1 102 ? 21.243 16.667 35.243 1.00 12.36 ? 102 SER A CB 1 +ATOM 772 O OG . SER A 1 102 ? 20.692 17.778 34.508 1.00 16.52 ? 102 SER A OG 1 +ATOM 773 N N . HIS A 1 103 ? 22.269 13.787 35.810 1.00 12.27 ? 103 HIS A N 1 +ATOM 774 C CA . HIS A 1 103 ? 22.797 12.699 36.563 1.00 10.16 ? 103 HIS A CA 1 +ATOM 775 C C . HIS A 1 103 ? 24.082 12.227 35.911 1.00 13.13 ? 103 HIS A C 1 +ATOM 776 O O . HIS A 1 103 ? 25.238 11.935 36.322 1.00 13.37 ? 103 HIS A O 1 +ATOM 777 C CB . HIS A 1 103 ? 21.928 11.728 37.165 1.00 12.31 ? 103 HIS A CB 1 +ATOM 778 C CG . HIS A 1 103 ? 22.522 10.606 37.851 1.00 10.33 ? 103 HIS A CG 1 +ATOM 779 N ND1 . HIS A 1 103 ? 22.512 9.312 37.327 1.00 10.01 ? 103 HIS A ND1 1 +ATOM 780 C CD2 . HIS A 1 103 ? 23.251 10.666 39.003 1.00 9.56 ? 103 HIS A CD2 1 +ATOM 781 C CE1 . HIS A 1 103 ? 23.268 8.706 38.293 1.00 12.63 ? 103 HIS A CE1 1 +ATOM 782 N NE2 . HIS A 1 103 ? 23.816 9.433 39.328 1.00 10.77 ? 103 HIS A NE2 1 +ATOM 783 N N . CYS A 1 104 ? 23.785 11.793 34.589 1.00 11.06 ? 104 CYS A N 1 +ATOM 784 C CA . CYS A 1 104 ? 24.955 11.067 33.693 1.00 11.72 ? 104 CYS A CA 1 +ATOM 785 C C . CYS A 1 104 ? 25.930 12.114 33.326 1.00 9.58 ? 104 CYS A C 1 +ATOM 786 O O . CYS A 1 104 ? 27.037 11.591 33.242 1.00 14.10 ? 104 CYS A O 1 +ATOM 787 C CB . CYS A 1 104 ? 24.215 10.422 32.545 1.00 16.81 ? 104 CYS A CB 1 +ATOM 788 S SG . CYS A 1 104 ? 23.130 9.077 32.871 1.00 14.76 ? 104 CYS A SG 1 +ATOM 789 N N . LEU A 1 105 ? 25.686 13.340 33.245 1.00 7.99 ? 105 LEU A N 1 +ATOM 790 C CA . LEU A 1 105 ? 26.930 14.181 33.011 1.00 10.43 ? 105 LEU A CA 1 +ATOM 791 C C . LEU A 1 105 ? 27.781 14.431 34.330 1.00 11.96 ? 105 LEU A C 1 +ATOM 792 O O . LEU A 1 105 ? 28.916 14.332 34.133 1.00 15.19 ? 105 LEU A O 1 +ATOM 793 C CB . LEU A 1 105 ? 26.144 15.534 32.454 1.00 16.93 ? 105 LEU A CB 1 +ATOM 794 C CG . LEU A 1 105 ? 26.145 15.973 31.243 1.00 44.57 ? 105 LEU A CG 1 +ATOM 795 C CD1 . LEU A 1 105 ? 25.187 17.180 31.028 1.00 40.98 ? 105 LEU A CD1 1 +ATOM 796 C CD2 . LEU A 1 105 ? 27.021 15.889 30.436 1.00 33.21 ? 105 LEU A CD2 1 +ATOM 797 N N . LEU A 1 106 ? 27.003 14.439 35.449 1.00 10.40 ? 106 LEU A N 1 +ATOM 798 C CA . LEU A 1 106 ? 27.781 14.390 36.680 1.00 15.02 ? 106 LEU A CA 1 +ATOM 799 C C . LEU A 1 106 ? 28.498 13.290 36.921 1.00 13.79 ? 106 LEU A C 1 +ATOM 800 O O . LEU A 1 106 ? 29.832 13.331 37.231 1.00 13.12 ? 106 LEU A O 1 +ATOM 801 C CB . LEU A 1 106 ? 26.793 14.652 37.846 1.00 16.59 ? 106 LEU A CB 1 +ATOM 802 C CG . LEU A 1 106 ? 26.544 15.485 38.593 1.00 26.87 ? 106 LEU A CG 1 +ATOM 803 C CD1 . LEU A 1 106 ? 25.587 15.412 39.609 1.00 28.01 ? 106 LEU A CD1 1 +ATOM 804 C CD2 . LEU A 1 106 ? 27.348 16.855 38.542 1.00 18.73 ? 106 LEU A CD2 1 +ATOM 805 N N . VAL A 1 107 ? 28.140 12.045 36.588 1.00 9.58 ? 107 VAL A N 1 +ATOM 806 C CA . VAL A 1 107 ? 28.867 10.896 36.584 1.00 10.69 ? 107 VAL A CA 1 +ATOM 807 C C . VAL A 1 107 ? 29.996 10.906 35.663 1.00 12.39 ? 107 VAL A C 1 +ATOM 808 O O . VAL A 1 107 ? 31.155 10.432 35.980 1.00 13.09 ? 107 VAL A O 1 +ATOM 809 C CB . VAL A 1 107 ? 27.983 9.640 36.248 1.00 14.48 ? 107 VAL A CB 1 +ATOM 810 C CG1 . VAL A 1 107 ? 28.786 8.493 36.042 1.00 19.64 ? 107 VAL A CG1 1 +ATOM 811 C CG2 . VAL A 1 107 ? 26.924 9.344 37.458 1.00 13.81 ? 107 VAL A CG2 1 +ATOM 812 N N . THR A 1 108 ? 29.866 11.477 34.500 1.00 12.66 ? 108 THR A N 1 +ATOM 813 C CA . THR A 1 108 ? 30.981 11.523 33.513 1.00 11.04 ? 108 THR A CA 1 +ATOM 814 C C . THR A 1 108 ? 32.033 12.346 34.052 1.00 11.25 ? 108 THR A C 1 +ATOM 815 O O . THR A 1 108 ? 33.217 12.034 33.937 1.00 13.68 ? 108 THR A O 1 +ATOM 816 C CB . THR A 1 108 ? 30.229 12.009 32.077 1.00 8.55 ? 108 THR A CB 1 +ATOM 817 O OG1 . THR A 1 108 ? 29.394 10.995 31.572 1.00 9.51 ? 108 THR A OG1 1 +ATOM 818 C CG2 . THR A 1 108 ? 31.361 11.981 31.120 1.00 15.85 ? 108 THR A CG2 1 +ATOM 819 N N . LEU A 1 109 ? 31.639 13.594 34.560 1.00 11.20 ? 109 LEU A N 1 +ATOM 820 C CA . LEU A 1 109 ? 32.654 14.548 35.105 1.00 12.61 ? 109 LEU A CA 1 +ATOM 821 C C . LEU A 1 109 ? 33.444 13.819 36.314 1.00 16.09 ? 109 LEU A C 1 +ATOM 822 O O . LEU A 1 109 ? 34.680 13.951 36.361 1.00 14.60 ? 109 LEU A O 1 +ATOM 823 C CB . LEU A 1 109 ? 31.945 15.735 35.484 1.00 17.08 ? 109 LEU A CB 1 +ATOM 824 C CG . LEU A 1 109 ? 31.514 16.805 34.364 1.00 24.50 ? 109 LEU A CG 1 +ATOM 825 C CD1 . LEU A 1 109 ? 30.585 17.626 34.772 1.00 22.52 ? 109 LEU A CD1 1 +ATOM 826 C CD2 . LEU A 1 109 ? 32.083 16.763 33.252 1.00 32.08 ? 109 LEU A CD2 1 +ATOM 827 N N . ALA A 1 110 ? 32.593 13.124 37.089 1.00 13.55 ? 110 ALA A N 1 +ATOM 828 C CA . ALA A 1 110 ? 33.320 12.567 38.211 1.00 19.86 ? 110 ALA A CA 1 +ATOM 829 C C . ALA A 1 110 ? 34.311 11.619 37.928 1.00 18.59 ? 110 ALA A C 1 +ATOM 830 O O . ALA A 1 110 ? 35.463 11.335 38.363 1.00 14.76 ? 110 ALA A O 1 +ATOM 831 C CB . ALA A 1 110 ? 32.204 11.822 39.035 1.00 17.34 ? 110 ALA A CB 1 +ATOM 832 N N . ALA A 1 111 ? 34.188 10.725 36.841 1.00 15.15 ? 111 ALA A N 1 +ATOM 833 C CA . ALA A 1 111 ? 34.853 9.713 36.216 1.00 13.42 ? 111 ALA A CA 1 +ATOM 834 C C . ALA A 1 111 ? 36.249 10.312 35.639 1.00 16.84 ? 111 ALA A C 1 +ATOM 835 O O . ALA A 1 111 ? 37.082 9.553 35.401 1.00 21.50 ? 111 ALA A O 1 +ATOM 836 C CB . ALA A 1 111 ? 34.300 8.724 35.293 1.00 16.85 ? 111 ALA A CB 1 +ATOM 837 N N . HIS A 1 112 ? 36.122 11.507 35.127 1.00 17.71 ? 112 HIS A N 1 +ATOM 838 C CA . HIS A 1 112 ? 37.272 12.082 34.373 1.00 25.83 ? 112 HIS A CA 1 +ATOM 839 C C . HIS A 1 112 ? 37.896 13.229 35.271 1.00 21.86 ? 112 HIS A C 1 +ATOM 840 O O . HIS A 1 112 ? 39.065 13.433 34.663 1.00 23.07 ? 112 HIS A O 1 +ATOM 841 C CB . HIS A 1 112 ? 36.757 12.745 32.940 1.00 17.12 ? 112 HIS A CB 1 +ATOM 842 C CG . HIS A 1 112 ? 36.394 11.697 32.055 1.00 18.91 ? 112 HIS A CG 1 +ATOM 843 N ND1 . HIS A 1 112 ? 37.514 11.389 31.288 1.00 20.25 ? 112 HIS A ND1 1 +ATOM 844 C CD2 . HIS A 1 112 ? 35.227 11.180 31.616 1.00 13.97 ? 112 HIS A CD2 1 +ATOM 845 C CE1 . HIS A 1 112 ? 36.653 10.329 30.431 1.00 16.16 ? 112 HIS A CE1 1 +ATOM 846 N NE2 . HIS A 1 112 ? 35.281 10.132 30.712 1.00 16.17 ? 112 HIS A NE2 1 +ATOM 847 N N . LEU A 1 113 ? 37.428 13.701 36.294 1.00 16.18 ? 113 LEU A N 1 +ATOM 848 C CA . LEU A 1 113 ? 38.133 14.905 36.927 1.00 18.52 ? 113 LEU A CA 1 +ATOM 849 C C . LEU A 1 113 ? 38.386 14.437 38.302 1.00 15.09 ? 113 LEU A C 1 +ATOM 850 O O . LEU A 1 113 ? 37.851 15.105 39.218 1.00 22.00 ? 113 LEU A O 1 +ATOM 851 C CB . LEU A 1 113 ? 37.256 15.942 37.195 1.00 26.60 ? 113 LEU A CB 1 +ATOM 852 C CG . LEU A 1 113 ? 36.923 16.856 35.788 1.00 26.91 ? 113 LEU A CG 1 +ATOM 853 C CD1 . LEU A 1 113 ? 36.178 18.296 35.839 1.00 38.78 ? 113 LEU A CD1 1 +ATOM 854 C CD2 . LEU A 1 113 ? 38.017 16.930 34.744 1.00 35.29 ? 113 LEU A CD2 1 +ATOM 855 N N . PRO A 1 114 ? 39.101 13.423 38.641 1.00 18.92 ? 114 PRO A N 1 +ATOM 856 C CA . PRO A 1 114 ? 39.280 12.806 40.110 1.00 24.61 ? 114 PRO A CA 1 +ATOM 857 C C . PRO A 1 114 ? 39.927 14.077 40.967 1.00 23.92 ? 114 PRO A C 1 +ATOM 858 O O . PRO A 1 114 ? 39.316 14.285 41.886 1.00 21.99 ? 114 PRO A O 1 +ATOM 859 C CB . PRO A 1 114 ? 40.464 11.988 39.723 1.00 23.94 ? 114 PRO A CB 1 +ATOM 860 C CG . PRO A 1 114 ? 41.095 12.179 38.419 1.00 18.92 ? 114 PRO A CG 1 +ATOM 861 C CD . PRO A 1 114 ? 39.914 12.862 37.661 1.00 16.59 ? 114 PRO A CD 1 +ATOM 862 N N . ALA A 1 115 ? 40.743 14.991 40.381 1.00 18.42 ? 115 ALA A N 1 +ATOM 863 C CA . ALA A 1 115 ? 41.335 15.997 41.417 1.00 21.98 ? 115 ALA A CA 1 +ATOM 864 C C . ALA A 1 115 ? 40.245 17.067 41.773 1.00 22.41 ? 115 ALA A C 1 +ATOM 865 O O . ALA A 1 115 ? 40.199 17.647 42.733 1.00 22.94 ? 115 ALA A O 1 +ATOM 866 C CB . ALA A 1 115 ? 42.491 16.560 40.735 1.00 30.20 ? 115 ALA A CB 1 +ATOM 867 N N . GLU A 1 116 ? 39.477 17.420 40.797 1.00 15.58 ? 116 GLU A N 1 +ATOM 868 C CA . GLU A 1 116 ? 38.611 18.707 40.892 1.00 17.43 ? 116 GLU A CA 1 +ATOM 869 C C . GLU A 1 116 ? 37.138 18.361 41.386 1.00 15.97 ? 116 GLU A C 1 +ATOM 870 O O . GLU A 1 116 ? 36.423 19.338 41.741 1.00 23.49 ? 116 GLU A O 1 +ATOM 871 C CB . GLU A 1 116 ? 38.400 19.196 39.339 1.00 21.21 ? 116 GLU A CB 1 +ATOM 872 C CG . GLU A 1 116 ? 39.570 19.899 38.769 1.00 24.18 ? 116 GLU A CG 1 +ATOM 873 C CD . GLU A 1 116 ? 40.366 18.705 38.293 1.00 26.12 ? 116 GLU A CD 1 +ATOM 874 O OE1 . GLU A 1 116 ? 40.190 17.457 37.981 1.00 28.16 ? 116 GLU A OE1 1 +ATOM 875 O OE2 . GLU A 1 116 ? 41.594 19.102 37.666 1.00 33.82 ? 116 GLU A OE2 1 +ATOM 876 N N . PHE A 1 117 ? 36.708 17.170 41.386 1.00 16.62 ? 117 PHE A N 1 +ATOM 877 C CA . PHE A 1 117 ? 35.472 16.697 41.837 1.00 14.17 ? 117 PHE A CA 1 +ATOM 878 C C . PHE A 1 117 ? 35.217 16.603 43.446 1.00 17.74 ? 117 PHE A C 1 +ATOM 879 O O . PHE A 1 117 ? 34.799 15.572 43.821 1.00 19.92 ? 117 PHE A O 1 +ATOM 880 C CB . PHE A 1 117 ? 34.921 15.499 41.070 1.00 12.47 ? 117 PHE A CB 1 +ATOM 881 C CG . PHE A 1 117 ? 33.357 15.208 40.941 1.00 9.61 ? 117 PHE A CG 1 +ATOM 882 C CD1 . PHE A 1 117 ? 32.670 16.060 40.127 1.00 15.09 ? 117 PHE A CD1 1 +ATOM 883 C CD2 . PHE A 1 117 ? 32.869 14.247 41.802 1.00 15.73 ? 117 PHE A CD2 1 +ATOM 884 C CE1 . PHE A 1 117 ? 31.311 15.742 40.069 1.00 17.90 ? 117 PHE A CE1 1 +ATOM 885 C CE2 . PHE A 1 117 ? 31.353 14.125 41.867 1.00 23.05 ? 117 PHE A CE2 1 +ATOM 886 C CZ . PHE A 1 117 ? 30.731 14.870 40.934 1.00 14.00 ? 117 PHE A CZ 1 +ATOM 887 N N . THR A 1 118 ? 35.373 17.750 44.038 1.00 11.56 ? 118 THR A N 1 +ATOM 888 C CA . THR A 1 118 ? 35.254 17.744 45.458 1.00 10.93 ? 118 THR A CA 1 +ATOM 889 C C . THR A 1 118 ? 33.839 17.687 45.728 1.00 15.34 ? 118 THR A C 1 +ATOM 890 O O . THR A 1 118 ? 33.054 18.199 44.968 1.00 14.33 ? 118 THR A O 1 +ATOM 891 C CB . THR A 1 118 ? 35.811 19.052 45.798 1.00 22.78 ? 118 THR A CB 1 +ATOM 892 O OG1 . THR A 1 118 ? 35.369 20.263 45.417 1.00 25.00 ? 118 THR A OG1 1 +ATOM 893 C CG2 . THR A 1 118 ? 37.432 19.021 45.774 1.00 25.00 ? 118 THR A CG2 1 +ATOM 894 N N . PRO A 1 119 ? 33.493 17.762 47.020 1.00 16.93 ? 119 PRO A N 1 +ATOM 895 C CA . PRO A 1 119 ? 32.076 17.845 47.465 1.00 7.97 ? 119 PRO A CA 1 +ATOM 896 C C . PRO A 1 119 ? 31.470 19.036 47.093 1.00 9.71 ? 119 PRO A C 1 +ATOM 897 O O . PRO A 1 119 ? 30.316 19.256 46.665 1.00 13.14 ? 119 PRO A O 1 +ATOM 898 C CB . PRO A 1 119 ? 32.077 17.606 48.966 1.00 15.02 ? 119 PRO A CB 1 +ATOM 899 C CG . PRO A 1 119 ? 33.149 16.608 49.169 1.00 20.08 ? 119 PRO A CG 1 +ATOM 900 C CD . PRO A 1 119 ? 34.300 17.026 48.068 1.00 23.85 ? 119 PRO A CD 1 +ATOM 901 N N . ALA A 1 120 ? 32.224 20.164 47.313 1.00 18.30 ? 120 ALA A N 1 +ATOM 902 C CA . ALA A 1 120 ? 31.842 21.408 47.057 1.00 20.48 ? 120 ALA A CA 1 +ATOM 903 C C . ALA A 1 120 ? 31.621 21.740 45.501 1.00 11.11 ? 120 ALA A C 1 +ATOM 904 O O . ALA A 1 120 ? 30.559 22.242 45.018 1.00 14.90 ? 120 ALA A O 1 +ATOM 905 C CB . ALA A 1 120 ? 32.505 22.690 47.619 1.00 21.25 ? 120 ALA A CB 1 +ATOM 906 N N . VAL A 1 121 ? 32.342 21.214 44.747 1.00 15.02 ? 121 VAL A N 1 +ATOM 907 C CA . VAL A 1 121 ? 32.236 21.278 43.328 1.00 11.64 ? 121 VAL A CA 1 +ATOM 908 C C . VAL A 1 121 ? 31.024 20.437 42.763 1.00 13.80 ? 121 VAL A C 1 +ATOM 909 O O . VAL A 1 121 ? 30.291 20.874 41.941 1.00 15.60 ? 121 VAL A O 1 +ATOM 910 C CB . VAL A 1 121 ? 33.529 20.991 42.582 1.00 16.28 ? 121 VAL A CB 1 +ATOM 911 C CG1 . VAL A 1 121 ? 33.412 20.911 40.957 1.00 17.80 ? 121 VAL A CG1 1 +ATOM 912 C CG2 . VAL A 1 121 ? 34.616 22.049 42.812 1.00 19.30 ? 121 VAL A CG2 1 +ATOM 913 N N . HIS A 1 122 ? 30.968 19.297 43.270 1.00 15.45 ? 122 HIS A N 1 +ATOM 914 C CA . HIS A 1 122 ? 29.712 18.239 43.050 1.00 11.57 ? 122 HIS A CA 1 +ATOM 915 C C . HIS A 1 122 ? 28.559 19.258 43.157 1.00 13.88 ? 122 HIS A C 1 +ATOM 916 O O . HIS A 1 122 ? 27.615 19.099 42.440 1.00 13.87 ? 122 HIS A O 1 +ATOM 917 C CB . HIS A 1 122 ? 30.075 17.054 43.880 1.00 12.36 ? 122 HIS A CB 1 +ATOM 918 C CG . HIS A 1 122 ? 29.005 16.136 43.833 1.00 15.49 ? 122 HIS A CG 1 +ATOM 919 N ND1 . HIS A 1 122 ? 29.307 14.827 44.464 1.00 14.41 ? 122 HIS A ND1 1 +ATOM 920 C CD2 . HIS A 1 122 ? 27.852 16.006 43.165 1.00 16.00 ? 122 HIS A CD2 1 +ATOM 921 C CE1 . HIS A 1 122 ? 28.060 14.004 44.133 1.00 20.76 ? 122 HIS A CE1 1 +ATOM 922 N NE2 . HIS A 1 122 ? 27.179 14.693 43.361 1.00 17.17 ? 122 HIS A NE2 1 +ATOM 923 N N . ALA A 1 123 ? 28.406 19.715 44.364 1.00 12.31 ? 123 ALA A N 1 +ATOM 924 C CA . ALA A 1 123 ? 27.282 20.460 44.773 1.00 12.34 ? 123 ALA A CA 1 +ATOM 925 C C . ALA A 1 123 ? 26.955 21.613 43.753 1.00 12.36 ? 123 ALA A C 1 +ATOM 926 O O . ALA A 1 123 ? 25.734 21.801 43.251 1.00 16.22 ? 123 ALA A O 1 +ATOM 927 C CB . ALA A 1 123 ? 27.337 21.026 46.168 1.00 18.20 ? 123 ALA A CB 1 +ATOM 928 N N . SER A 1 124 ? 28.074 22.355 43.329 1.00 11.72 ? 124 SER A N 1 +ATOM 929 C CA . SER A 1 124 ? 27.869 23.445 42.517 1.00 15.71 ? 124 SER A CA 1 +ATOM 930 C C . SER A 1 124 ? 27.468 22.934 41.046 1.00 11.97 ? 124 SER A C 1 +ATOM 931 O O . SER A 1 124 ? 26.609 23.602 40.432 1.00 13.78 ? 124 SER A O 1 +ATOM 932 C CB . SER A 1 124 ? 29.091 24.305 42.331 1.00 17.31 ? 124 SER A CB 1 +ATOM 933 O OG . SER A 1 124 ? 29.403 24.925 43.592 1.00 19.36 ? 124 SER A OG 1 +ATOM 934 N N . LEU A 1 125 ? 28.120 21.852 40.685 1.00 11.45 ? 125 LEU A N 1 +ATOM 935 C CA . LEU A 1 125 ? 27.743 21.454 39.340 1.00 9.77 ? 125 LEU A CA 1 +ATOM 936 C C . LEU A 1 125 ? 26.437 20.912 39.292 1.00 13.87 ? 125 LEU A C 1 +ATOM 937 O O . LEU A 1 125 ? 25.705 21.020 38.235 1.00 12.03 ? 125 LEU A O 1 +ATOM 938 C CB . LEU A 1 125 ? 28.681 20.367 38.957 1.00 14.61 ? 125 LEU A CB 1 +ATOM 939 C CG . LEU A 1 125 ? 30.138 20.621 38.452 1.00 15.39 ? 125 LEU A CG 1 +ATOM 940 C CD1 . LEU A 1 125 ? 31.004 19.480 38.447 1.00 26.84 ? 125 LEU A CD1 1 +ATOM 941 C CD2 . LEU A 1 125 ? 30.095 21.415 37.241 1.00 19.46 ? 125 LEU A CD2 1 +ATOM 942 N N . ASP A 1 126 ? 25.835 20.210 40.266 1.00 13.89 ? 126 ASP A N 1 +ATOM 943 C CA . ASP A 1 126 ? 24.505 19.681 40.409 1.00 14.28 ? 126 ASP A CA 1 +ATOM 944 C C . ASP A 1 126 ? 23.589 20.757 40.242 1.00 13.60 ? 126 ASP A C 1 +ATOM 945 O O . ASP A 1 126 ? 22.492 20.897 39.594 1.00 12.25 ? 126 ASP A O 1 +ATOM 946 C CB . ASP A 1 126 ? 24.293 18.835 41.586 1.00 9.77 ? 126 ASP A CB 1 +ATOM 947 C CG . ASP A 1 126 ? 22.993 17.965 41.708 1.00 17.51 ? 126 ASP A CG 1 +ATOM 948 O OD1 . ASP A 1 126 ? 22.693 17.462 40.610 1.00 22.67 ? 126 ASP A OD1 1 +ATOM 949 O OD2 . ASP A 1 126 ? 22.121 18.221 42.404 1.00 20.83 ? 126 ASP A OD2 1 +ATOM 950 N N . LYS A 1 127 ? 23.791 21.958 40.968 1.00 11.87 ? 127 LYS A N 1 +ATOM 951 C CA . LYS A 1 127 ? 23.075 23.151 40.945 1.00 11.94 ? 127 LYS A CA 1 +ATOM 952 C C . LYS A 1 127 ? 23.108 23.675 39.518 1.00 16.34 ? 127 LYS A C 1 +ATOM 953 O O . LYS A 1 127 ? 21.995 24.194 39.091 1.00 15.26 ? 127 LYS A O 1 +ATOM 954 C CB . LYS A 1 127 ? 23.361 23.933 42.324 1.00 27.23 ? 127 LYS A CB 1 +ATOM 955 C CG . LYS A 1 127 ? 23.050 24.571 42.382 1.00 41.38 ? 127 LYS A CG 1 +ATOM 956 C CD . LYS A 1 127 ? 23.405 25.008 44.274 1.00 22.35 ? 127 LYS A CD 1 +ATOM 957 C CE . LYS A 1 127 ? 22.951 26.352 44.048 1.00 24.85 ? 127 LYS A CE 1 +ATOM 958 N NZ . LYS A 1 127 ? 23.359 27.311 45.174 1.00 27.43 ? 127 LYS A NZ 1 +ATOM 959 N N . PHE A 1 128 ? 24.149 23.834 39.026 1.00 9.60 ? 128 PHE A N 1 +ATOM 960 C CA . PHE A 1 128 ? 24.281 24.440 37.666 1.00 9.45 ? 128 PHE A CA 1 +ATOM 961 C C . PHE A 1 128 ? 23.510 23.612 36.660 1.00 11.35 ? 128 PHE A C 1 +ATOM 962 O O . PHE A 1 128 ? 22.731 24.239 35.874 1.00 13.72 ? 128 PHE A O 1 +ATOM 963 C CB . PHE A 1 128 ? 25.746 24.402 37.282 1.00 10.04 ? 128 PHE A CB 1 +ATOM 964 C CG . PHE A 1 128 ? 25.879 24.780 35.815 1.00 12.71 ? 128 PHE A CG 1 +ATOM 965 C CD1 . PHE A 1 128 ? 25.661 26.173 35.380 1.00 22.47 ? 128 PHE A CD1 1 +ATOM 966 C CD2 . PHE A 1 128 ? 26.305 23.939 35.044 1.00 15.10 ? 128 PHE A CD2 1 +ATOM 967 C CE1 . PHE A 1 128 ? 25.831 26.372 34.010 1.00 21.90 ? 128 PHE A CE1 1 +ATOM 968 C CE2 . PHE A 1 128 ? 26.807 24.009 33.619 1.00 24.41 ? 128 PHE A CE2 1 +ATOM 969 C CZ . PHE A 1 128 ? 26.482 25.336 33.332 1.00 19.00 ? 128 PHE A CZ 1 +ATOM 970 N N . LEU A 1 129 ? 23.514 22.246 36.770 1.00 10.92 ? 129 LEU A N 1 +ATOM 971 C CA . LEU A 1 129 ? 22.716 21.543 35.727 1.00 8.59 ? 129 LEU A CA 1 +ATOM 972 C C . LEU A 1 129 ? 21.353 21.554 35.966 1.00 15.58 ? 129 LEU A C 1 +ATOM 973 O O . LEU A 1 129 ? 20.533 21.614 35.038 1.00 12.33 ? 129 LEU A O 1 +ATOM 974 C CB . LEU A 1 129 ? 23.215 20.096 35.689 1.00 11.08 ? 129 LEU A CB 1 +ATOM 975 C CG . LEU A 1 129 ? 24.740 19.751 35.250 1.00 16.43 ? 129 LEU A CG 1 +ATOM 976 C CD1 . LEU A 1 129 ? 25.168 18.497 35.470 1.00 21.21 ? 129 LEU A CD1 1 +ATOM 977 C CD2 . LEU A 1 129 ? 24.681 20.243 33.623 1.00 24.11 ? 129 LEU A CD2 1 +ATOM 978 N N . ALA A 1 130 ? 20.872 21.754 37.150 1.00 13.59 ? 130 ALA A N 1 +ATOM 979 C CA . ALA A 1 130 ? 19.455 21.983 37.526 1.00 12.80 ? 130 ALA A CA 1 +ATOM 980 C C . ALA A 1 130 ? 18.959 23.277 36.957 1.00 13.10 ? 130 ALA A C 1 +ATOM 981 O O . ALA A 1 130 ? 17.877 23.520 36.410 1.00 16.72 ? 130 ALA A O 1 +ATOM 982 C CB . ALA A 1 130 ? 19.238 21.954 39.051 1.00 11.70 ? 130 ALA A CB 1 +ATOM 983 N N . SER A 1 131 ? 19.876 24.361 36.976 1.00 12.15 ? 131 SER A N 1 +ATOM 984 C CA . SER A 1 131 ? 19.427 25.616 36.430 1.00 17.97 ? 131 SER A CA 1 +ATOM 985 C C . SER A 1 131 ? 19.409 25.535 34.834 1.00 14.23 ? 131 SER A C 1 +ATOM 986 O O . SER A 1 131 ? 18.395 26.257 34.407 1.00 17.89 ? 131 SER A O 1 +ATOM 987 C CB . SER A 1 131 ? 20.555 26.729 36.834 1.00 19.09 ? 131 SER A CB 1 +ATOM 988 O OG . SER A 1 131 ? 20.389 26.812 38.036 1.00 34.89 ? 131 SER A OG 1 +ATOM 989 N N . VAL A 1 132 ? 20.409 24.938 34.376 1.00 11.02 ? 132 VAL A N 1 +ATOM 990 C CA . VAL A 1 132 ? 20.283 24.913 32.863 1.00 13.44 ? 132 VAL A CA 1 +ATOM 991 C C . VAL A 1 132 ? 19.029 24.122 32.606 1.00 13.26 ? 132 VAL A C 1 +ATOM 992 O O . VAL A 1 132 ? 18.248 24.688 31.621 1.00 14.28 ? 132 VAL A O 1 +ATOM 993 C CB . VAL A 1 132 ? 21.357 24.177 32.402 1.00 17.47 ? 132 VAL A CB 1 +ATOM 994 C CG1 . VAL A 1 132 ? 21.413 23.724 30.933 1.00 23.96 ? 132 VAL A CG1 1 +ATOM 995 C CG2 . VAL A 1 132 ? 22.716 24.922 32.465 1.00 15.24 ? 132 VAL A CG2 1 +ATOM 996 N N . SER A 1 133 ? 18.586 23.020 33.190 1.00 11.44 ? 133 SER A N 1 +ATOM 997 C CA . SER A 1 133 ? 17.360 22.290 32.998 1.00 14.28 ? 133 SER A CA 1 +ATOM 998 C C . SER A 1 133 ? 16.153 23.195 33.280 1.00 22.70 ? 133 SER A C 1 +ATOM 999 O O . SER A 1 133 ? 15.275 23.082 32.379 1.00 18.73 ? 133 SER A O 1 +ATOM 1000 C CB . SER A 1 133 ? 17.429 21.112 33.913 1.00 14.07 ? 133 SER A CB 1 +ATOM 1001 O OG . SER A 1 133 ? 18.393 20.163 33.582 1.00 16.41 ? 133 SER A OG 1 +ATOM 1002 N N . THR A 1 134 ? 16.105 24.077 34.173 1.00 14.75 ? 134 THR A N 1 +ATOM 1003 C CA . THR A 1 134 ? 14.989 24.856 34.285 1.00 11.93 ? 134 THR A CA 1 +ATOM 1004 C C . THR A 1 134 ? 14.917 25.790 33.367 1.00 12.33 ? 134 THR A C 1 +ATOM 1005 O O . THR A 1 134 ? 13.820 26.152 32.889 1.00 15.87 ? 134 THR A O 1 +ATOM 1006 C CB . THR A 1 134 ? 15.318 25.445 35.675 1.00 23.98 ? 134 THR A CB 1 +ATOM 1007 O OG1 . THR A 1 134 ? 15.160 24.821 36.657 1.00 24.65 ? 134 THR A OG1 1 +ATOM 1008 C CG2 . THR A 1 134 ? 14.308 26.695 35.959 1.00 35.48 ? 134 THR A CG2 1 +ATOM 1009 N N . VAL A 1 135 ? 15.901 26.476 32.741 1.00 16.85 ? 135 VAL A N 1 +ATOM 1010 C CA . VAL A 1 135 ? 15.860 27.465 31.729 1.00 15.02 ? 135 VAL A CA 1 +ATOM 1011 C C . VAL A 1 135 ? 15.576 26.659 30.467 1.00 18.49 ? 135 VAL A C 1 +ATOM 1012 O O . VAL A 1 135 ? 14.593 27.208 29.765 1.00 17.84 ? 135 VAL A O 1 +ATOM 1013 C CB . VAL A 1 135 ? 17.301 28.155 31.489 1.00 21.41 ? 135 VAL A CB 1 +ATOM 1014 C CG1 . VAL A 1 135 ? 17.360 28.820 30.158 1.00 28.88 ? 135 VAL A CG1 1 +ATOM 1015 C CG2 . VAL A 1 135 ? 17.666 28.942 32.668 1.00 18.54 ? 135 VAL A CG2 1 +ATOM 1016 N N . LEU A 1 136 ? 15.937 25.476 30.146 1.00 15.13 ? 136 LEU A N 1 +ATOM 1017 C CA . LEU A 1 136 ? 15.442 24.728 28.988 1.00 14.14 ? 136 LEU A CA 1 +ATOM 1018 C C . LEU A 1 136 ? 13.898 24.423 28.942 1.00 16.82 ? 136 LEU A C 1 +ATOM 1019 O O . LEU A 1 136 ? 13.356 24.038 27.808 1.00 16.56 ? 136 LEU A O 1 +ATOM 1020 C CB . LEU A 1 136 ? 16.388 23.591 28.673 1.00 19.05 ? 136 LEU A CB 1 +ATOM 1021 C CG . LEU A 1 136 ? 17.789 23.816 27.944 1.00 19.99 ? 136 LEU A CG 1 +ATOM 1022 C CD1 . LEU A 1 136 ? 18.498 22.572 28.082 1.00 23.33 ? 136 LEU A CD1 1 +ATOM 1023 C CD2 . LEU A 1 136 ? 17.951 24.924 27.051 1.00 20.84 ? 136 LEU A CD2 1 +ATOM 1024 N N . THR A 1 137 ? 13.409 24.308 30.091 1.00 14.14 ? 137 THR A N 1 +ATOM 1025 C CA . THR A 1 137 ? 11.868 23.759 30.279 1.00 17.11 ? 137 THR A CA 1 +ATOM 1026 C C . THR A 1 137 ? 11.174 24.984 30.546 1.00 15.43 ? 137 THR A C 1 +ATOM 1027 O O . THR A 1 137 ? 9.885 24.822 30.687 1.00 15.99 ? 137 THR A O 1 +ATOM 1028 C CB . THR A 1 137 ? 11.872 22.866 31.967 1.00 17.27 ? 137 THR A CB 1 +ATOM 1029 O OG1 . THR A 1 137 ? 12.346 21.655 30.930 1.00 28.37 ? 137 THR A OG1 1 +ATOM 1030 C CG2 . THR A 1 137 ? 12.708 23.088 32.483 1.00 47.04 ? 137 THR A CG2 1 +ATOM 1031 N N . SER A 1 138 ? 11.582 26.134 30.523 1.00 16.91 ? 138 SER A N 1 +ATOM 1032 C CA . SER A 1 138 ? 11.007 27.371 30.879 1.00 23.51 ? 138 SER A CA 1 +ATOM 1033 C C . SER A 1 138 ? 9.706 27.886 30.080 1.00 23.60 ? 138 SER A C 1 +ATOM 1034 O O . SER A 1 138 ? 8.807 28.281 30.694 1.00 27.80 ? 138 SER A O 1 +ATOM 1035 C CB . SER A 1 138 ? 12.256 29.024 30.432 1.00 22.76 ? 138 SER A CB 1 +ATOM 1036 O OG . SER A 1 138 ? 11.938 28.569 31.612 1.00 45.85 ? 138 SER A OG 1 +ATOM 1037 N N . LYS A 1 139 ? 9.814 27.464 28.890 1.00 19.13 ? 139 LYS A N 1 +ATOM 1038 C CA . LYS A 1 139 ? 8.804 28.073 27.820 1.00 21.43 ? 139 LYS A CA 1 +ATOM 1039 C C . LYS A 1 139 ? 7.846 26.906 27.589 1.00 18.35 ? 139 LYS A C 1 +ATOM 1040 O O . LYS A 1 139 ? 7.219 27.010 26.637 1.00 22.16 ? 139 LYS A O 1 +ATOM 1041 C CB . LYS A 1 139 ? 9.426 28.678 26.637 1.00 24.13 ? 139 LYS A CB 1 +ATOM 1042 C CG . LYS A 1 139 ? 10.268 29.778 26.985 1.00 28.98 ? 139 LYS A CG 1 +ATOM 1043 C CD . LYS A 1 139 ? 11.231 30.175 25.810 1.00 33.18 ? 139 LYS A CD 1 +ATOM 1044 C CE . LYS A 1 139 ? 11.836 31.387 26.028 1.00 52.82 ? 139 LYS A CE 1 +ATOM 1045 N NZ . LYS A 1 139 ? 13.057 31.429 24.501 1.00 55.02 ? 139 LYS A NZ 1 +ATOM 1046 N N . TYR A 1 140 ? 7.786 25.762 28.196 1.00 17.12 ? 140 TYR A N 1 +ATOM 1047 C CA . TYR A 1 140 ? 7.030 24.682 27.951 1.00 22.48 ? 140 TYR A CA 1 +ATOM 1048 C C . TYR A 1 140 ? 5.484 24.848 28.048 1.00 18.75 ? 140 TYR A C 1 +ATOM 1049 O O . TYR A 1 140 ? 4.740 24.283 27.139 1.00 22.47 ? 140 TYR A O 1 +ATOM 1050 C CB . TYR A 1 140 ? 7.248 23.357 28.784 1.00 23.15 ? 140 TYR A CB 1 +ATOM 1051 C CG . TYR A 1 140 ? 8.341 22.538 28.191 1.00 15.57 ? 140 TYR A CG 1 +ATOM 1052 C CD1 . TYR A 1 140 ? 8.262 21.025 28.230 1.00 16.98 ? 140 TYR A CD1 1 +ATOM 1053 C CD2 . TYR A 1 140 ? 9.581 22.957 27.681 1.00 18.11 ? 140 TYR A CD2 1 +ATOM 1054 C CE1 . TYR A 1 140 ? 9.324 20.260 27.686 1.00 19.97 ? 140 TYR A CE1 1 +ATOM 1055 C CE2 . TYR A 1 140 ? 10.629 22.029 27.267 1.00 14.94 ? 140 TYR A CE2 1 +ATOM 1056 C CZ . TYR A 1 140 ? 10.423 20.609 27.292 1.00 17.89 ? 140 TYR A CZ 1 +ATOM 1057 O OH . TYR A 1 140 ? 11.366 19.964 26.904 1.00 18.05 ? 140 TYR A OH 1 +ATOM 1058 N N . ARG A 1 141 ? 5.091 25.732 28.777 1.00 17.59 ? 141 ARG A N 1 +ATOM 1059 C CA . ARG A 1 141 ? 3.543 26.104 29.057 1.00 24.58 ? 141 ARG A CA 1 +ATOM 1060 C C . ARG A 1 141 ? 3.490 27.656 29.556 1.00 44.44 ? 141 ARG A C 1 +ATOM 1061 O O . ARG A 1 141 ? 4.424 27.979 30.158 1.00 21.81 ? 141 ARG A O 1 +ATOM 1062 C CB . ARG A 1 141 ? 2.907 25.003 29.515 1.00 33.40 ? 141 ARG A CB 1 +ATOM 1063 C CG . ARG A 1 141 ? 3.391 24.818 31.230 1.00 17.28 ? 141 ARG A CG 1 +ATOM 1064 C CD . ARG A 1 141 ? 2.255 23.813 31.672 1.00 14.66 ? 141 ARG A CD 1 +ATOM 1065 N NE . ARG A 1 141 ? 2.987 23.633 32.900 1.00 22.73 ? 141 ARG A NE 1 +ATOM 1066 C CZ . ARG A 1 141 ? 2.066 23.002 33.850 1.00 26.88 ? 141 ARG A CZ 1 +ATOM 1067 N NH1 . ARG A 1 141 ? 0.996 22.173 33.694 1.00 23.24 ? 141 ARG A NH1 1 +ATOM 1068 N NH2 . ARG A 1 141 ? 2.694 22.926 35.095 1.00 33.34 ? 141 ARG A NH2 1 +ATOM 1069 O OXT . ARG A 1 141 ? 2.359 27.895 29.445 1.00 31.52 ? 141 ARG A OXT 1 +ATOM 1070 N N . VAL B 2 1 ? 16.303 -7.918 42.567 1.00 46.08 ? 1 VAL B N 1 +ATOM 1071 C CA . VAL B 2 1 ? 15.768 -7.377 41.064 1.00 70.96 ? 1 VAL B CA 1 +ATOM 1072 C C . VAL B 2 1 ? 16.461 -8.681 39.591 1.00 69.74 ? 1 VAL B C 1 +ATOM 1073 O O . VAL B 2 1 ? 15.976 -10.100 40.396 1.00 71.82 ? 1 VAL B O 1 +ATOM 1074 C CB . VAL B 2 1 ? 16.598 -5.775 40.614 1.00 59.18 ? 1 VAL B CB 1 +ATOM 1075 C CG1 . VAL B 2 1 ? 14.879 -4.766 40.240 1.00 57.89 ? 1 VAL B CG1 1 +ATOM 1076 C CG2 . VAL B 2 1 ? 17.783 -5.679 40.973 1.00 44.20 ? 1 VAL B CG2 1 +ATOM 1077 N N . HIS B 2 2 ? 16.096 -8.250 39.043 1.00 53.55 ? 2 HIS B N 1 +ATOM 1078 C CA . HIS B 2 2 ? 16.878 -9.200 38.097 1.00 62.62 ? 2 HIS B CA 1 +ATOM 1079 C C . HIS B 2 2 ? 18.129 -8.434 36.985 1.00 51.71 ? 2 HIS B C 1 +ATOM 1080 O O . HIS B 2 2 ? 18.065 -7.419 35.976 1.00 48.42 ? 2 HIS B O 1 +ATOM 1081 C CB . HIS B 2 2 ? 15.819 -8.758 36.444 1.00 62.58 ? 2 HIS B CB 1 +ATOM 1082 C CG . HIS B 2 2 ? 15.894 -8.973 35.642 1.00 73.96 ? 2 HIS B CG 1 +ATOM 1083 N ND1 . HIS B 2 2 ? 16.285 -7.740 34.272 1.00 80.12 ? 2 HIS B ND1 1 +ATOM 1084 C CD2 . HIS B 2 2 ? 16.263 -10.962 35.294 1.00 63.02 ? 2 HIS B CD2 1 +ATOM 1085 C CE1 . HIS B 2 2 ? 16.985 -9.461 33.138 1.00 76.40 ? 2 HIS B CE1 1 +ATOM 1086 N NE2 . HIS B 2 2 ? 17.454 -10.935 33.581 1.00 62.86 ? 2 HIS B NE2 1 +ATOM 1087 N N . LEU B 2 3 ? 19.032 -8.933 37.415 1.00 43.89 ? 3 LEU B N 1 +ATOM 1088 C CA . LEU B 2 3 ? 20.285 -8.668 36.472 1.00 43.79 ? 3 LEU B CA 1 +ATOM 1089 C C . LEU B 2 3 ? 20.993 -10.025 35.882 1.00 32.77 ? 3 LEU B C 1 +ATOM 1090 O O . LEU B 2 3 ? 20.622 -11.123 36.345 1.00 41.84 ? 3 LEU B O 1 +ATOM 1091 C CB . LEU B 2 3 ? 21.338 -8.366 37.863 1.00 28.80 ? 3 LEU B CB 1 +ATOM 1092 C CG . LEU B 2 3 ? 21.053 -6.980 38.587 1.00 28.70 ? 3 LEU B CG 1 +ATOM 1093 C CD1 . LEU B 2 3 ? 21.999 -6.887 39.503 1.00 63.39 ? 3 LEU B CD1 1 +ATOM 1094 C CD2 . LEU B 2 3 ? 21.683 -6.067 37.645 1.00 32.10 ? 3 LEU B CD2 1 +ATOM 1095 N N . THR B 2 4 ? 21.283 -9.574 34.662 1.00 42.35 ? 4 THR B N 1 +ATOM 1096 C CA . THR B 2 4 ? 22.096 -10.826 34.241 1.00 41.74 ? 4 THR B CA 1 +ATOM 1097 C C . THR B 2 4 ? 23.082 -11.288 34.886 1.00 36.91 ? 4 THR B C 1 +ATOM 1098 O O . THR B 2 4 ? 23.751 -10.520 35.615 1.00 31.57 ? 4 THR B O 1 +ATOM 1099 C CB . THR B 2 4 ? 22.204 -10.187 32.827 1.00 38.91 ? 4 THR B CB 1 +ATOM 1100 O OG1 . THR B 2 4 ? 23.352 -9.327 32.684 1.00 52.85 ? 4 THR B OG1 1 +ATOM 1101 C CG2 . THR B 2 4 ? 21.258 -9.536 31.869 1.00 56.94 ? 4 THR B CG2 1 +ATOM 1102 N N . PRO B 2 5 ? 23.875 -12.390 34.465 1.00 45.56 ? 5 PRO B N 1 +ATOM 1103 C CA . PRO B 2 5 ? 24.679 -13.099 34.970 1.00 47.54 ? 5 PRO B CA 1 +ATOM 1104 C C . PRO B 2 5 ? 26.082 -12.002 35.046 1.00 37.80 ? 5 PRO B C 1 +ATOM 1105 O O . PRO B 2 5 ? 26.874 -11.968 35.960 1.00 33.06 ? 5 PRO B O 1 +ATOM 1106 C CB . PRO B 2 5 ? 25.273 -14.398 34.765 1.00 62.12 ? 5 PRO B CB 1 +ATOM 1107 C CG . PRO B 2 5 ? 23.928 -14.683 34.012 1.00 42.55 ? 5 PRO B CG 1 +ATOM 1108 C CD . PRO B 2 5 ? 22.934 -13.780 33.779 1.00 48.08 ? 5 PRO B CD 1 +ATOM 1109 N N . GLU B 2 6 ? 25.979 -11.464 33.785 1.00 27.00 ? 6 GLU B N 1 +ATOM 1110 C CA . GLU B 2 6 ? 27.151 -10.845 33.398 1.00 34.37 ? 6 GLU B CA 1 +ATOM 1111 C C . GLU B 2 6 ? 27.063 -9.364 34.364 1.00 23.02 ? 6 GLU B C 1 +ATOM 1112 O O . GLU B 2 6 ? 28.360 -8.802 34.768 1.00 28.54 ? 6 GLU B O 1 +ATOM 1113 C CB . GLU B 2 6 ? 27.123 -10.140 31.903 1.00 37.20 ? 6 GLU B CB 1 +ATOM 1114 C CG . GLU B 2 6 ? 26.412 -9.884 31.193 1.00 66.65 ? 6 GLU B CG 1 +ATOM 1115 C CD . GLU B 2 6 ? 25.132 -11.404 30.618 1.00 60.44 ? 6 GLU B CD 1 +ATOM 1116 O OE1 . GLU B 2 6 ? 25.989 -12.745 31.120 1.00 63.16 ? 6 GLU B OE1 1 +ATOM 1117 O OE2 . GLU B 2 6 ? 24.244 -11.626 30.873 1.00 70.62 ? 6 GLU B OE2 1 +ATOM 1118 N N . GLU B 2 7 ? 25.968 -8.945 34.599 1.00 31.47 ? 7 GLU B N 1 +ATOM 1119 C CA . GLU B 2 7 ? 25.410 -7.639 35.376 1.00 34.08 ? 7 GLU B CA 1 +ATOM 1120 C C . GLU B 2 7 ? 26.025 -8.114 36.822 1.00 21.49 ? 7 GLU B C 1 +ATOM 1121 O O . GLU B 2 7 ? 26.670 -7.205 37.380 1.00 27.04 ? 7 GLU B O 1 +ATOM 1122 C CB . GLU B 2 7 ? 24.500 -7.325 35.178 1.00 35.55 ? 7 GLU B CB 1 +ATOM 1123 C CG . GLU B 2 7 ? 24.024 -6.472 33.702 1.00 33.74 ? 7 GLU B CG 1 +ATOM 1124 C CD . GLU B 2 7 ? 22.752 -5.967 33.883 1.00 31.89 ? 7 GLU B CD 1 +ATOM 1125 O OE1 . GLU B 2 7 ? 22.611 -4.832 33.230 1.00 52.51 ? 7 GLU B OE1 1 +ATOM 1126 O OE2 . GLU B 2 7 ? 21.635 -6.665 34.260 1.00 32.56 ? 7 GLU B OE2 1 +ATOM 1127 N N . LYS B 2 8 ? 25.484 -9.070 37.386 1.00 26.08 ? 8 LYS B N 1 +ATOM 1128 C CA . LYS B 2 8 ? 25.777 -9.448 38.625 1.00 32.23 ? 8 LYS B CA 1 +ATOM 1129 C C . LYS B 2 8 ? 27.225 -9.572 38.754 1.00 26.59 ? 8 LYS B C 1 +ATOM 1130 O O . LYS B 2 8 ? 28.069 -9.108 39.858 1.00 26.11 ? 8 LYS B O 1 +ATOM 1131 C CB . LYS B 2 8 ? 24.916 -10.930 38.948 1.00 36.34 ? 8 LYS B CB 1 +ATOM 1132 C CG . LYS B 2 8 ? 25.315 -11.260 39.644 1.00 64.20 ? 8 LYS B CG 1 +ATOM 1133 C CD . LYS B 2 8 ? 25.115 -12.674 40.713 1.00 73.64 ? 8 LYS B CD 1 +ATOM 1134 C CE . LYS B 2 8 ? 25.818 -13.055 41.799 1.00 79.30 ? 8 LYS B CE 1 +ATOM 1135 N NZ . LYS B 2 8 ? 25.896 -15.297 42.163 1.00 66.73 ? 8 LYS B NZ 1 +ATOM 1136 N N . SER B 2 9 ? 28.090 -10.243 38.007 1.00 23.88 ? 9 SER B N 1 +ATOM 1137 C CA . SER B 2 9 ? 29.173 -10.409 38.052 1.00 36.76 ? 9 SER B CA 1 +ATOM 1138 C C . SER B 2 9 ? 30.351 -8.960 38.047 1.00 37.61 ? 9 SER B C 1 +ATOM 1139 O O . SER B 2 9 ? 31.227 -8.786 38.776 1.00 28.84 ? 9 SER B O 1 +ATOM 1140 C CB . SER B 2 9 ? 29.979 -11.803 37.274 1.00 36.63 ? 9 SER B CB 1 +ATOM 1141 O OG . SER B 2 9 ? 30.447 -10.713 36.371 1.00 64.02 ? 9 SER B OG 1 +ATOM 1142 N N . ALA B 2 10 ? 29.669 -8.043 37.212 1.00 21.54 ? 10 ALA B N 1 +ATOM 1143 C CA . ALA B 2 10 ? 30.388 -6.975 37.145 1.00 32.77 ? 10 ALA B CA 1 +ATOM 1144 C C . ALA B 2 10 ? 30.157 -5.965 38.591 1.00 23.64 ? 10 ALA B C 1 +ATOM 1145 O O . ALA B 2 10 ? 31.142 -5.271 39.029 1.00 26.26 ? 10 ALA B O 1 +ATOM 1146 C CB . ALA B 2 10 ? 29.710 -6.088 36.222 1.00 30.88 ? 10 ALA B CB 1 +ATOM 1147 N N . VAL B 2 11 ? 28.951 -6.098 39.209 1.00 22.75 ? 11 VAL B N 1 +ATOM 1148 C CA . VAL B 2 11 ? 28.708 -5.462 40.539 1.00 18.12 ? 11 VAL B CA 1 +ATOM 1149 C C . VAL B 2 11 ? 29.770 -5.947 41.527 1.00 18.13 ? 11 VAL B C 1 +ATOM 1150 O O . VAL B 2 11 ? 30.362 -5.128 42.234 1.00 19.40 ? 11 VAL B O 1 +ATOM 1151 C CB . VAL B 2 11 ? 27.347 -5.671 40.753 1.00 19.48 ? 11 VAL B CB 1 +ATOM 1152 C CG1 . VAL B 2 11 ? 27.022 -5.358 42.187 1.00 26.15 ? 11 VAL B CG1 1 +ATOM 1153 C CG2 . VAL B 2 11 ? 26.397 -4.744 39.946 1.00 23.37 ? 11 VAL B CG2 1 +ATOM 1154 N N . THR B 2 12 ? 29.713 -7.218 41.558 1.00 19.01 ? 12 THR B N 1 +ATOM 1155 C CA . THR B 2 12 ? 30.415 -8.061 42.603 1.00 25.04 ? 12 THR B CA 1 +ATOM 1156 C C . THR B 2 12 ? 31.891 -7.795 42.538 1.00 20.68 ? 12 THR B C 1 +ATOM 1157 O O . THR B 2 12 ? 32.691 -7.432 43.355 1.00 23.87 ? 12 THR B O 1 +ATOM 1158 C CB . THR B 2 12 ? 30.184 -9.749 42.564 1.00 42.63 ? 12 THR B CB 1 +ATOM 1159 O OG1 . THR B 2 12 ? 29.010 -9.686 42.902 1.00 42.78 ? 12 THR B OG1 1 +ATOM 1160 C CG2 . THR B 2 12 ? 30.685 -9.913 42.330 1.00 67.38 ? 12 THR B CG2 1 +ATOM 1161 N N . ALA B 2 13 ? 32.449 -7.807 41.322 1.00 22.79 ? 13 ALA B N 1 +ATOM 1162 C CA . ALA B 2 13 ? 33.717 -7.491 41.106 1.00 26.66 ? 13 ALA B CA 1 +ATOM 1163 C C . ALA B 2 13 ? 34.359 -6.293 41.381 1.00 26.26 ? 13 ALA B C 1 +ATOM 1164 O O . ALA B 2 13 ? 35.239 -6.032 42.098 1.00 27.07 ? 13 ALA B O 1 +ATOM 1165 C CB . ALA B 2 13 ? 34.055 -7.685 39.478 1.00 26.35 ? 13 ALA B CB 1 +ATOM 1166 N N . LEU B 2 14 ? 33.622 -5.060 40.984 1.00 15.70 ? 14 LEU B N 1 +ATOM 1167 C CA . LEU B 2 14 ? 34.030 -3.783 41.613 1.00 15.10 ? 14 LEU B CA 1 +ATOM 1168 C C . LEU B 2 14 ? 34.027 -3.705 43.040 1.00 17.25 ? 14 LEU B C 1 +ATOM 1169 O O . LEU B 2 14 ? 34.634 -2.952 43.648 1.00 15.43 ? 14 LEU B O 1 +ATOM 1170 C CB . LEU B 2 14 ? 33.058 -2.776 40.745 1.00 16.82 ? 14 LEU B CB 1 +ATOM 1171 C CG . LEU B 2 14 ? 33.542 -1.403 40.711 1.00 27.27 ? 14 LEU B CG 1 +ATOM 1172 C CD1 . LEU B 2 14 ? 34.749 -1.222 40.263 1.00 40.43 ? 14 LEU B CD1 1 +ATOM 1173 C CD2 . LEU B 2 14 ? 32.306 -0.474 40.615 1.00 24.81 ? 14 LEU B CD2 1 +ATOM 1174 N N . TRP B 2 15 ? 32.809 -4.226 43.599 1.00 17.75 ? 15 TRP B N 1 +ATOM 1175 C CA . TRP B 2 15 ? 32.612 -4.051 45.053 1.00 20.73 ? 15 TRP B CA 1 +ATOM 1176 C C . TRP B 2 15 ? 33.812 -4.677 45.876 1.00 17.66 ? 15 TRP B C 1 +ATOM 1177 O O . TRP B 2 15 ? 33.987 -4.054 46.970 1.00 18.75 ? 15 TRP B O 1 +ATOM 1178 C CB . TRP B 2 15 ? 31.325 -4.555 45.370 1.00 17.11 ? 15 TRP B CB 1 +ATOM 1179 C CG . TRP B 2 15 ? 30.929 -4.067 46.853 1.00 17.91 ? 15 TRP B CG 1 +ATOM 1180 C CD1 . TRP B 2 15 ? 30.923 -4.649 47.964 1.00 21.87 ? 15 TRP B CD1 1 +ATOM 1181 C CD2 . TRP B 2 15 ? 30.336 -2.821 47.043 1.00 17.58 ? 15 TRP B CD2 1 +ATOM 1182 N NE1 . TRP B 2 15 ? 30.408 -3.970 49.009 1.00 18.04 ? 15 TRP B NE1 1 +ATOM 1183 C CE2 . TRP B 2 15 ? 30.114 -2.620 48.507 1.00 16.29 ? 15 TRP B CE2 1 +ATOM 1184 C CE3 . TRP B 2 15 ? 30.087 -1.669 46.224 1.00 16.29 ? 15 TRP B CE3 1 +ATOM 1185 C CZ2 . TRP B 2 15 ? 29.510 -1.446 49.040 1.00 25.87 ? 15 TRP B CZ2 1 +ATOM 1186 C CZ3 . TRP B 2 15 ? 29.529 -0.511 46.874 1.00 17.96 ? 15 TRP B CZ3 1 +ATOM 1187 C CH2 . TRP B 2 15 ? 29.203 -0.550 48.185 1.00 24.12 ? 15 TRP B CH2 1 +ATOM 1188 N N . GLY B 2 16 ? 34.336 -5.678 45.229 1.00 18.59 ? 16 GLY B N 1 +ATOM 1189 C CA . GLY B 2 16 ? 35.598 -6.298 45.942 1.00 18.72 ? 16 GLY B CA 1 +ATOM 1190 C C . GLY B 2 16 ? 36.617 -5.354 46.070 1.00 24.14 ? 16 GLY B C 1 +ATOM 1191 O O . GLY B 2 16 ? 37.530 -5.584 46.969 1.00 24.08 ? 16 GLY B O 1 +ATOM 1192 N N . LYS B 2 17 ? 36.637 -4.322 45.404 1.00 16.20 ? 17 LYS B N 1 +ATOM 1193 C CA . LYS B 2 17 ? 37.615 -3.342 45.409 1.00 17.17 ? 17 LYS B CA 1 +ATOM 1194 C C . LYS B 2 17 ? 37.215 -2.258 46.175 1.00 17.84 ? 17 LYS B C 1 +ATOM 1195 O O . LYS B 2 17 ? 38.137 -1.233 46.497 1.00 23.03 ? 17 LYS B O 1 +ATOM 1196 C CB . LYS B 2 17 ? 37.958 -2.612 44.129 1.00 27.63 ? 17 LYS B CB 1 +ATOM 1197 C CG . LYS B 2 17 ? 38.327 -3.900 43.129 1.00 26.84 ? 17 LYS B CG 1 +ATOM 1198 C CD . LYS B 2 17 ? 38.750 -3.495 41.930 1.00 36.92 ? 17 LYS B CD 1 +ATOM 1199 C CE . LYS B 2 17 ? 39.022 -4.655 40.729 1.00 48.09 ? 17 LYS B CE 1 +ATOM 1200 N NZ . LYS B 2 17 ? 39.714 -3.537 39.951 1.00 51.60 ? 17 LYS B NZ 1 +ATOM 1201 N N . VAL B 2 18 ? 36.179 -2.026 46.917 1.00 19.79 ? 18 VAL B N 1 +ATOM 1202 C CA . VAL B 2 18 ? 35.593 -0.920 47.607 1.00 15.59 ? 18 VAL B CA 1 +ATOM 1203 C C . VAL B 2 18 ? 36.055 -0.982 49.098 1.00 24.20 ? 18 VAL B C 1 +ATOM 1204 O O . VAL B 2 18 ? 35.902 -1.947 49.847 1.00 22.49 ? 18 VAL B O 1 +ATOM 1205 C CB . VAL B 2 18 ? 34.087 -1.068 47.678 1.00 13.43 ? 18 VAL B CB 1 +ATOM 1206 C CG1 . VAL B 2 18 ? 33.594 -0.078 48.591 1.00 20.38 ? 18 VAL B CG1 1 +ATOM 1207 C CG2 . VAL B 2 18 ? 33.857 -0.367 46.132 1.00 25.54 ? 18 VAL B CG2 1 +ATOM 1208 N N . ASN B 2 19 ? 36.559 0.125 49.695 1.00 20.52 ? 19 ASN B N 1 +ATOM 1209 C CA . ASN B 2 19 ? 36.789 0.138 51.218 1.00 15.58 ? 19 ASN B CA 1 +ATOM 1210 C C . ASN B 2 19 ? 35.410 0.735 51.766 1.00 13.56 ? 19 ASN B C 1 +ATOM 1211 O O . ASN B 2 19 ? 35.137 1.986 51.540 1.00 14.77 ? 19 ASN B O 1 +ATOM 1212 C CB . ASN B 2 19 ? 37.893 1.288 51.572 1.00 26.08 ? 19 ASN B CB 1 +ATOM 1213 C CG . ASN B 2 19 ? 37.831 1.586 53.047 1.00 29.11 ? 19 ASN B CG 1 +ATOM 1214 O OD1 . ASN B 2 19 ? 37.206 1.253 53.841 1.00 27.77 ? 19 ASN B OD1 1 +ATOM 1215 N ND2 . ASN B 2 19 ? 39.275 1.902 53.239 1.00 33.88 ? 19 ASN B ND2 1 +ATOM 1216 N N . VAL B 2 20 ? 34.753 -0.142 52.343 1.00 18.83 ? 20 VAL B N 1 +ATOM 1217 C CA . VAL B 2 20 ? 33.259 0.118 52.703 1.00 19.05 ? 20 VAL B CA 1 +ATOM 1218 C C . VAL B 2 20 ? 33.227 1.099 53.561 1.00 20.02 ? 20 VAL B C 1 +ATOM 1219 O O . VAL B 2 20 ? 32.447 2.243 53.553 1.00 17.50 ? 20 VAL B O 1 +ATOM 1220 C CB . VAL B 2 20 ? 32.666 -1.256 53.173 1.00 25.16 ? 20 VAL B CB 1 +ATOM 1221 C CG1 . VAL B 2 20 ? 31.255 -0.837 53.554 1.00 29.32 ? 20 VAL B CG1 1 +ATOM 1222 C CG2 . VAL B 2 20 ? 32.505 -2.176 51.988 1.00 21.26 ? 20 VAL B CG2 1 +ATOM 1223 N N . ASP B 2 21 ? 34.050 1.489 54.502 1.00 19.64 ? 21 ASP B N 1 +ATOM 1224 C CA . ASP B 2 21 ? 34.001 2.521 55.583 1.00 20.67 ? 21 ASP B CA 1 +ATOM 1225 C C . ASP B 2 21 ? 34.452 3.735 54.924 1.00 18.97 ? 21 ASP B C 1 +ATOM 1226 O O . ASP B 2 21 ? 33.658 4.760 55.107 1.00 21.29 ? 21 ASP B O 1 +ATOM 1227 C CB . ASP B 2 21 ? 35.051 2.151 56.566 1.00 34.10 ? 21 ASP B CB 1 +ATOM 1228 C CG . ASP B 2 21 ? 34.623 0.846 57.786 1.00 53.28 ? 21 ASP B CG 1 +ATOM 1229 O OD1 . ASP B 2 21 ? 33.411 0.788 57.706 1.00 40.86 ? 21 ASP B OD1 1 +ATOM 1230 O OD2 . ASP B 2 21 ? 35.575 1.132 58.854 1.00 50.69 ? 21 ASP B OD2 1 +ATOM 1231 N N . GLU B 2 22 ? 35.321 3.783 53.983 1.00 17.77 ? 22 GLU B N 1 +ATOM 1232 C CA . GLU B 2 22 ? 35.793 5.201 53.370 1.00 21.32 ? 22 GLU B CA 1 +ATOM 1233 C C . GLU B 2 22 ? 34.589 5.722 52.414 1.00 17.53 ? 22 GLU B C 1 +ATOM 1234 O O . GLU B 2 22 ? 34.195 6.805 52.511 1.00 21.51 ? 22 GLU B O 1 +ATOM 1235 C CB . GLU B 2 22 ? 36.981 4.797 52.589 1.00 24.38 ? 22 GLU B CB 1 +ATOM 1236 C CG . GLU B 2 22 ? 37.299 5.809 51.812 1.00 38.60 ? 22 GLU B CG 1 +ATOM 1237 C CD . GLU B 2 22 ? 38.280 6.403 50.355 1.00 75.75 ? 22 GLU B CD 1 +ATOM 1238 O OE1 . GLU B 2 22 ? 38.370 4.765 49.700 1.00 53.89 ? 22 GLU B OE1 1 +ATOM 1239 O OE2 . GLU B 2 22 ? 39.831 5.356 51.346 1.00 65.14 ? 22 GLU B OE2 1 +ATOM 1240 N N . VAL B 2 23 ? 34.196 4.700 51.552 1.00 19.15 ? 23 VAL B N 1 +ATOM 1241 C CA . VAL B 2 23 ? 33.129 5.010 50.536 1.00 16.52 ? 23 VAL B CA 1 +ATOM 1242 C C . VAL B 2 23 ? 31.770 5.361 51.431 1.00 19.25 ? 23 VAL B C 1 +ATOM 1243 O O . VAL B 2 23 ? 30.985 6.303 50.887 1.00 16.10 ? 23 VAL B O 1 +ATOM 1244 C CB . VAL B 2 23 ? 32.876 3.855 49.527 1.00 21.83 ? 23 VAL B CB 1 +ATOM 1245 C CG1 . VAL B 2 23 ? 31.629 4.093 48.860 1.00 26.98 ? 23 VAL B CG1 1 +ATOM 1246 C CG2 . VAL B 2 23 ? 34.272 3.980 48.837 1.00 24.14 ? 23 VAL B CG2 1 +ATOM 1247 N N . GLY B 2 24 ? 31.547 4.709 52.448 1.00 11.83 ? 24 GLY B N 1 +ATOM 1248 C CA . GLY B 2 24 ? 30.456 5.040 53.221 1.00 15.96 ? 24 GLY B CA 1 +ATOM 1249 C C . GLY B 2 24 ? 30.324 6.411 53.808 1.00 15.32 ? 24 GLY B C 1 +ATOM 1250 O O . GLY B 2 24 ? 29.443 7.250 53.740 1.00 13.59 ? 24 GLY B O 1 +ATOM 1251 N N . GLY B 2 25 ? 31.404 6.844 54.406 1.00 19.52 ? 25 GLY B N 1 +ATOM 1252 C CA . GLY B 2 25 ? 31.752 8.157 54.855 1.00 15.79 ? 25 GLY B CA 1 +ATOM 1253 C C . GLY B 2 25 ? 31.577 9.245 53.717 1.00 12.82 ? 25 GLY B C 1 +ATOM 1254 O O . GLY B 2 25 ? 31.023 10.283 53.890 1.00 18.05 ? 25 GLY B O 1 +ATOM 1255 N N . GLU B 2 26 ? 32.153 8.944 52.627 1.00 12.16 ? 26 GLU B N 1 +ATOM 1256 C CA . GLU B 2 26 ? 32.201 9.859 51.429 1.00 11.32 ? 26 GLU B CA 1 +ATOM 1257 C C . GLU B 2 26 ? 30.652 10.015 50.962 1.00 13.79 ? 26 GLU B C 1 +ATOM 1258 O O . GLU B 2 26 ? 30.385 11.219 50.649 1.00 14.59 ? 26 GLU B O 1 +ATOM 1259 C CB . GLU B 2 26 ? 33.076 9.362 50.445 1.00 13.18 ? 26 GLU B CB 1 +ATOM 1260 C CG . GLU B 2 26 ? 33.694 10.657 49.486 1.00 29.90 ? 26 GLU B CG 1 +ATOM 1261 C CD . GLU B 2 26 ? 34.351 11.713 48.885 1.00 51.34 ? 26 GLU B CD 1 +ATOM 1262 O OE1 . GLU B 2 26 ? 34.229 10.380 46.396 1.00 54.93 ? 26 GLU B OE1 1 +ATOM 1263 O OE2 . GLU B 2 26 ? 34.999 9.374 48.820 1.00 37.93 ? 26 GLU B OE2 1 +ATOM 1264 N N . ALA B 2 27 ? 30.077 8.909 50.820 1.00 13.14 ? 27 ALA B N 1 +ATOM 1265 C CA . ALA B 2 27 ? 28.738 9.136 50.184 1.00 9.05 ? 27 ALA B CA 1 +ATOM 1266 C C . ALA B 2 27 ? 27.731 9.816 51.071 1.00 10.83 ? 27 ALA B C 1 +ATOM 1267 O O . ALA B 2 27 ? 26.877 10.576 50.701 1.00 11.12 ? 27 ALA B O 1 +ATOM 1268 C CB . ALA B 2 27 ? 28.284 7.747 49.981 1.00 14.07 ? 27 ALA B CB 1 +ATOM 1269 N N . LEU B 2 28 ? 27.660 9.478 52.412 1.00 11.19 ? 28 LEU B N 1 +ATOM 1270 C CA . LEU B 2 28 ? 27.003 10.113 53.451 1.00 14.47 ? 28 LEU B CA 1 +ATOM 1271 C C . LEU B 2 28 ? 27.149 11.493 53.423 1.00 12.13 ? 28 LEU B C 1 +ATOM 1272 O O . LEU B 2 28 ? 26.371 12.453 53.501 1.00 12.32 ? 28 LEU B O 1 +ATOM 1273 C CB . LEU B 2 28 ? 26.755 9.380 54.731 1.00 9.21 ? 28 LEU B CB 1 +ATOM 1274 C CG . LEU B 2 28 ? 25.416 10.158 55.511 1.00 20.67 ? 28 LEU B CG 1 +ATOM 1275 C CD1 . LEU B 2 28 ? 24.240 9.610 55.014 1.00 17.60 ? 28 LEU B CD1 1 +ATOM 1276 C CD2 . LEU B 2 28 ? 25.816 9.463 56.759 1.00 34.99 ? 28 LEU B CD2 1 +ATOM 1277 N N . GLY B 2 29 ? 28.511 11.899 53.530 1.00 10.00 ? 29 GLY B N 1 +ATOM 1278 C CA . GLY B 2 29 ? 28.799 13.234 53.611 1.00 15.27 ? 29 GLY B CA 1 +ATOM 1279 C C . GLY B 2 29 ? 28.443 14.055 52.306 1.00 10.88 ? 29 GLY B C 1 +ATOM 1280 O O . GLY B 2 29 ? 27.873 15.137 52.427 1.00 14.42 ? 29 GLY B O 1 +ATOM 1281 N N . ARG B 2 30 ? 28.639 13.435 51.164 1.00 11.39 ? 30 ARG B N 1 +ATOM 1282 C CA . ARG B 2 30 ? 28.338 14.277 50.006 1.00 14.49 ? 30 ARG B CA 1 +ATOM 1283 C C . ARG B 2 30 ? 26.690 14.296 49.889 1.00 10.79 ? 30 ARG B C 1 +ATOM 1284 O O . ARG B 2 30 ? 26.308 15.377 49.394 1.00 13.81 ? 30 ARG B O 1 +ATOM 1285 C CB . ARG B 2 30 ? 28.901 13.526 48.744 1.00 19.88 ? 30 ARG B CB 1 +ATOM 1286 C CG . ARG B 2 30 ? 30.349 13.968 48.318 1.00 16.11 ? 30 ARG B CG 1 +ATOM 1287 C CD . ARG B 2 30 ? 30.710 13.159 47.119 1.00 14.71 ? 30 ARG B CD 1 +ATOM 1288 N NE . ARG B 2 30 ? 32.141 13.197 46.967 1.00 21.05 ? 30 ARG B NE 1 +ATOM 1289 C CZ . ARG B 2 30 ? 32.889 13.884 46.230 1.00 18.56 ? 30 ARG B CZ 1 +ATOM 1290 N NH1 . ARG B 2 30 ? 32.234 14.727 45.337 1.00 19.13 ? 30 ARG B NH1 1 +ATOM 1291 N NH2 . ARG B 2 30 ? 34.158 14.074 46.112 1.00 19.91 ? 30 ARG B NH2 1 +ATOM 1292 N N . LEU B 2 31 ? 25.987 13.300 50.388 1.00 12.04 ? 31 LEU B N 1 +ATOM 1293 C CA . LEU B 2 31 ? 24.600 13.446 50.509 1.00 10.54 ? 31 LEU B CA 1 +ATOM 1294 C C . LEU B 2 31 ? 24.360 14.737 51.155 1.00 13.93 ? 31 LEU B C 1 +ATOM 1295 O O . LEU B 2 31 ? 23.435 15.571 50.831 1.00 14.67 ? 31 LEU B O 1 +ATOM 1296 C CB . LEU B 2 31 ? 23.868 12.237 51.013 1.00 12.99 ? 31 LEU B CB 1 +ATOM 1297 C CG . LEU B 2 31 ? 22.362 12.369 51.327 1.00 10.97 ? 31 LEU B CG 1 +ATOM 1298 C CD1 . LEU B 2 31 ? 21.826 12.312 49.933 1.00 19.46 ? 31 LEU B CD1 1 +ATOM 1299 C CD2 . LEU B 2 31 ? 21.879 11.343 52.340 1.00 13.98 ? 31 LEU B CD2 1 +ATOM 1300 N N . LEU B 2 32 ? 24.922 14.962 52.322 1.00 10.13 ? 32 LEU B N 1 +ATOM 1301 C CA . LEU B 2 32 ? 24.470 15.949 53.149 1.00 11.52 ? 32 LEU B CA 1 +ATOM 1302 C C . LEU B 2 32 ? 24.933 17.315 52.659 1.00 12.11 ? 32 LEU B C 1 +ATOM 1303 O O . LEU B 2 32 ? 24.443 18.456 52.983 1.00 15.31 ? 32 LEU B O 1 +ATOM 1304 C CB . LEU B 2 32 ? 25.121 15.866 54.637 1.00 11.75 ? 32 LEU B CB 1 +ATOM 1305 C CG . LEU B 2 32 ? 24.360 14.943 55.432 1.00 16.68 ? 32 LEU B CG 1 +ATOM 1306 C CD1 . LEU B 2 32 ? 23.493 14.045 55.244 1.00 22.26 ? 32 LEU B CD1 1 +ATOM 1307 C CD2 . LEU B 2 32 ? 25.146 14.592 56.667 1.00 28.90 ? 32 LEU B CD2 1 +ATOM 1308 N N . VAL B 2 33 ? 26.012 17.361 51.869 1.00 10.32 ? 33 VAL B N 1 +ATOM 1309 C CA . VAL B 2 33 ? 26.547 18.516 51.251 1.00 11.98 ? 33 VAL B CA 1 +ATOM 1310 C C . VAL B 2 33 ? 25.600 18.923 49.944 1.00 12.10 ? 33 VAL B C 1 +ATOM 1311 O O . VAL B 2 33 ? 25.430 20.179 49.799 1.00 13.28 ? 33 VAL B O 1 +ATOM 1312 C CB . VAL B 2 33 ? 28.032 18.376 50.810 1.00 14.87 ? 33 VAL B CB 1 +ATOM 1313 C CG1 . VAL B 2 33 ? 28.558 19.530 50.033 1.00 11.54 ? 33 VAL B CG1 1 +ATOM 1314 C CG2 . VAL B 2 33 ? 28.713 18.354 52.037 1.00 16.57 ? 33 VAL B CG2 1 +ATOM 1315 N N . VAL B 2 34 ? 25.514 17.948 49.127 1.00 13.66 ? 34 VAL B N 1 +ATOM 1316 C CA . VAL B 2 34 ? 24.831 18.380 47.752 1.00 9.59 ? 34 VAL B CA 1 +ATOM 1317 C C . VAL B 2 34 ? 23.288 18.584 47.955 1.00 8.72 ? 34 VAL B C 1 +ATOM 1318 O O . VAL B 2 34 ? 22.847 19.475 47.304 1.00 9.42 ? 34 VAL B O 1 +ATOM 1319 C CB . VAL B 2 34 ? 25.122 17.183 46.892 1.00 9.09 ? 34 VAL B CB 1 +ATOM 1320 C CG1 . VAL B 2 34 ? 24.476 17.449 45.540 1.00 9.82 ? 34 VAL B CG1 1 +ATOM 1321 C CG2 . VAL B 2 34 ? 26.505 17.045 46.733 1.00 17.00 ? 34 VAL B CG2 1 +ATOM 1322 N N . TYR B 2 35 ? 22.718 17.864 48.951 1.00 10.80 ? 35 TYR B N 1 +ATOM 1323 C CA . TYR B 2 35 ? 21.254 17.977 49.191 1.00 13.73 ? 35 TYR B CA 1 +ATOM 1324 C C . TYR B 2 35 ? 21.038 18.380 50.736 1.00 14.87 ? 35 TYR B C 1 +ATOM 1325 O O . TYR B 2 35 ? 20.720 17.388 51.398 1.00 16.30 ? 35 TYR B O 1 +ATOM 1326 C CB . TYR B 2 35 ? 20.565 16.644 48.903 1.00 14.97 ? 35 TYR B CB 1 +ATOM 1327 C CG . TYR B 2 35 ? 20.853 16.234 47.500 1.00 16.57 ? 35 TYR B CG 1 +ATOM 1328 C CD1 . TYR B 2 35 ? 20.362 16.953 46.315 1.00 17.11 ? 35 TYR B CD1 1 +ATOM 1329 C CD2 . TYR B 2 35 ? 21.567 15.117 47.080 1.00 21.02 ? 35 TYR B CD2 1 +ATOM 1330 C CE1 . TYR B 2 35 ? 20.636 16.509 45.009 1.00 16.53 ? 35 TYR B CE1 1 +ATOM 1331 C CE2 . TYR B 2 35 ? 21.970 14.951 45.868 1.00 21.07 ? 35 TYR B CE2 1 +ATOM 1332 C CZ . TYR B 2 35 ? 21.427 15.438 44.815 1.00 16.91 ? 35 TYR B CZ 1 +ATOM 1333 O OH . TYR B 2 35 ? 21.949 15.134 43.472 1.00 21.07 ? 35 TYR B OH 1 +ATOM 1334 N N . PRO B 2 36 ? 21.329 19.525 51.046 1.00 18.32 ? 36 PRO B N 1 +ATOM 1335 C CA . PRO B 2 36 ? 21.434 19.922 52.430 1.00 15.72 ? 36 PRO B CA 1 +ATOM 1336 C C . PRO B 2 36 ? 20.140 19.751 53.145 1.00 27.07 ? 36 PRO B C 1 +ATOM 1337 O O . PRO B 2 36 ? 20.209 19.602 54.451 1.00 15.67 ? 36 PRO B O 1 +ATOM 1338 C CB . PRO B 2 36 ? 21.826 21.374 52.544 1.00 16.26 ? 36 PRO B CB 1 +ATOM 1339 C CG . PRO B 2 36 ? 21.899 21.925 51.270 1.00 21.27 ? 36 PRO B CG 1 +ATOM 1340 C CD . PRO B 2 36 ? 21.649 20.731 50.382 1.00 25.93 ? 36 PRO B CD 1 +ATOM 1341 N N . TRP B 2 37 ? 18.969 19.536 52.679 1.00 14.10 ? 37 TRP B N 1 +ATOM 1342 C CA . TRP B 2 37 ? 17.867 19.291 53.542 1.00 12.74 ? 37 TRP B CA 1 +ATOM 1343 C C . TRP B 2 37 ? 17.822 17.908 54.096 1.00 15.06 ? 37 TRP B C 1 +ATOM 1344 O O . TRP B 2 37 ? 17.119 17.588 55.067 1.00 15.27 ? 37 TRP B O 1 +ATOM 1345 C CB . TRP B 2 37 ? 16.667 19.463 52.495 1.00 19.41 ? 37 TRP B CB 1 +ATOM 1346 C CG . TRP B 2 37 ? 16.577 18.713 51.318 1.00 14.79 ? 37 TRP B CG 1 +ATOM 1347 C CD1 . TRP B 2 37 ? 15.879 17.451 50.989 1.00 18.82 ? 37 TRP B CD1 1 +ATOM 1348 C CD2 . TRP B 2 37 ? 17.073 19.131 49.973 1.00 18.23 ? 37 TRP B CD2 1 +ATOM 1349 N NE1 . TRP B 2 37 ? 16.146 17.215 49.743 1.00 23.72 ? 37 TRP B NE1 1 +ATOM 1350 C CE2 . TRP B 2 37 ? 16.759 18.033 49.018 1.00 22.13 ? 37 TRP B CE2 1 +ATOM 1351 C CE3 . TRP B 2 37 ? 17.915 20.227 49.510 1.00 21.52 ? 37 TRP B CE3 1 +ATOM 1352 C CZ2 . TRP B 2 37 ? 17.084 18.014 47.655 1.00 18.19 ? 37 TRP B CZ2 1 +ATOM 1353 C CZ3 . TRP B 2 37 ? 18.071 20.166 48.223 1.00 31.71 ? 37 TRP B CZ3 1 +ATOM 1354 C CH2 . TRP B 2 37 ? 17.755 19.199 47.441 1.00 14.12 ? 37 TRP B CH2 1 +ATOM 1355 N N . THR B 2 38 ? 18.738 16.962 53.716 1.00 14.17 ? 38 THR B N 1 +ATOM 1356 C CA . THR B 2 38 ? 18.981 15.633 54.143 1.00 13.46 ? 38 THR B CA 1 +ATOM 1357 C C . THR B 2 38 ? 19.386 15.759 55.653 1.00 16.65 ? 38 THR B C 1 +ATOM 1358 O O . THR B 2 38 ? 19.576 14.733 56.326 1.00 18.86 ? 38 THR B O 1 +ATOM 1359 C CB . THR B 2 38 ? 19.779 14.622 53.398 1.00 12.74 ? 38 THR B CB 1 +ATOM 1360 O OG1 . THR B 2 38 ? 20.939 15.287 53.154 1.00 14.09 ? 38 THR B OG1 1 +ATOM 1361 C CG2 . THR B 2 38 ? 19.099 14.621 52.024 1.00 15.42 ? 38 THR B CG2 1 +ATOM 1362 N N . GLN B 2 39 ? 20.027 16.851 55.924 1.00 19.91 ? 39 GLN B N 1 +ATOM 1363 C CA . GLN B 2 39 ? 20.646 17.349 57.305 1.00 23.22 ? 39 GLN B CA 1 +ATOM 1364 C C . GLN B 2 39 ? 19.621 17.236 58.371 1.00 19.19 ? 39 GLN B C 1 +ATOM 1365 O O . GLN B 2 39 ? 20.027 17.060 59.501 1.00 19.29 ? 39 GLN B O 1 +ATOM 1366 C CB . GLN B 2 39 ? 21.470 18.553 57.299 1.00 24.35 ? 39 GLN B CB 1 +ATOM 1367 C CG . GLN B 2 39 ? 22.567 18.566 56.447 1.00 25.27 ? 39 GLN B CG 1 +ATOM 1368 C CD . GLN B 2 39 ? 23.378 19.959 56.435 1.00 24.35 ? 39 GLN B CD 1 +ATOM 1369 O OE1 . GLN B 2 39 ? 23.038 20.668 57.411 1.00 26.75 ? 39 GLN B OE1 1 +ATOM 1370 N NE2 . GLN B 2 39 ? 24.224 20.109 55.396 1.00 30.18 ? 39 GLN B NE2 1 +ATOM 1371 N N . ARG B 2 40 ? 18.331 17.279 57.998 1.00 20.02 ? 40 ARG B N 1 +ATOM 1372 C CA . ARG B 2 40 ? 17.214 17.313 58.995 1.00 21.80 ? 40 ARG B CA 1 +ATOM 1373 C C . ARG B 2 40 ? 17.379 15.955 59.913 1.00 29.36 ? 40 ARG B C 1 +ATOM 1374 O O . ARG B 2 40 ? 16.869 16.306 61.046 1.00 24.42 ? 40 ARG B O 1 +ATOM 1375 C CB . ARG B 2 40 ? 15.907 17.291 58.206 1.00 16.52 ? 40 ARG B CB 1 +ATOM 1376 C CG . ARG B 2 40 ? 15.427 16.028 57.806 1.00 20.34 ? 40 ARG B CG 1 +ATOM 1377 C CD . ARG B 2 40 ? 14.140 16.233 56.771 1.00 25.31 ? 40 ARG B CD 1 +ATOM 1378 N NE . ARG B 2 40 ? 13.162 16.778 57.306 1.00 29.70 ? 40 ARG B NE 1 +ATOM 1379 C CZ . ARG B 2 40 ? 12.136 16.180 58.270 1.00 34.46 ? 40 ARG B CZ 1 +ATOM 1380 N NH1 . ARG B 2 40 ? 12.232 15.027 58.266 1.00 31.34 ? 40 ARG B NH1 1 +ATOM 1381 N NH2 . ARG B 2 40 ? 11.138 17.359 58.475 1.00 39.12 ? 40 ARG B NH2 1 +ATOM 1382 N N . PHE B 2 41 ? 17.856 14.940 59.785 1.00 19.21 ? 41 PHE B N 1 +ATOM 1383 C CA . PHE B 2 41 ? 17.694 13.748 60.596 1.00 16.53 ? 41 PHE B CA 1 +ATOM 1384 C C . PHE B 2 41 ? 19.084 13.745 61.697 1.00 21.34 ? 41 PHE B C 1 +ATOM 1385 O O . PHE B 2 41 ? 18.953 12.892 62.333 1.00 23.45 ? 41 PHE B O 1 +ATOM 1386 C CB . PHE B 2 41 ? 17.988 12.518 59.599 1.00 10.39 ? 41 PHE B CB 1 +ATOM 1387 C CG . PHE B 2 41 ? 16.790 12.444 58.756 1.00 13.84 ? 41 PHE B CG 1 +ATOM 1388 C CD1 . PHE B 2 41 ? 16.986 12.830 57.379 1.00 17.38 ? 41 PHE B CD1 1 +ATOM 1389 C CD2 . PHE B 2 41 ? 15.421 12.027 59.315 1.00 25.55 ? 41 PHE B CD2 1 +ATOM 1390 C CE1 . PHE B 2 41 ? 15.846 12.656 56.562 1.00 15.72 ? 41 PHE B CE1 1 +ATOM 1391 C CE2 . PHE B 2 41 ? 14.386 12.065 58.259 1.00 21.40 ? 41 PHE B CE2 1 +ATOM 1392 C CZ . PHE B 2 41 ? 14.690 12.439 56.948 1.00 13.46 ? 41 PHE B CZ 1 +ATOM 1393 N N . PHE B 2 42 ? 19.848 14.631 61.386 1.00 18.41 ? 42 PHE B N 1 +ATOM 1394 C CA . PHE B 2 42 ? 21.236 14.531 61.779 1.00 17.88 ? 42 PHE B CA 1 +ATOM 1395 C C . PHE B 2 42 ? 21.717 15.631 62.653 1.00 26.28 ? 42 PHE B C 1 +ATOM 1396 O O . PHE B 2 42 ? 22.822 15.904 62.949 1.00 30.16 ? 42 PHE B O 1 +ATOM 1397 C CB . PHE B 2 42 ? 22.287 14.343 60.677 1.00 16.57 ? 42 PHE B CB 1 +ATOM 1398 C CG . PHE B 2 42 ? 22.021 13.138 60.095 1.00 18.87 ? 42 PHE B CG 1 +ATOM 1399 C CD1 . PHE B 2 42 ? 21.624 13.241 58.460 1.00 17.08 ? 42 PHE B CD1 1 +ATOM 1400 C CD2 . PHE B 2 42 ? 22.107 11.811 60.357 1.00 17.75 ? 42 PHE B CD2 1 +ATOM 1401 C CE1 . PHE B 2 42 ? 21.315 11.940 57.996 1.00 12.34 ? 42 PHE B CE1 1 +ATOM 1402 C CE2 . PHE B 2 42 ? 21.715 10.734 59.718 1.00 16.32 ? 42 PHE B CE2 1 +ATOM 1403 C CZ . PHE B 2 42 ? 21.379 10.780 58.241 1.00 14.29 ? 42 PHE B CZ 1 +ATOM 1404 N N . GLU B 2 43 ? 20.861 16.294 63.207 1.00 32.94 ? 43 GLU B N 1 +ATOM 1405 C CA . GLU B 2 43 ? 21.428 17.547 63.954 1.00 42.17 ? 43 GLU B CA 1 +ATOM 1406 C C . GLU B 2 43 ? 21.773 17.283 65.517 1.00 21.09 ? 43 GLU B C 1 +ATOM 1407 O O . GLU B 2 43 ? 22.764 17.627 66.097 1.00 37.55 ? 43 GLU B O 1 +ATOM 1408 C CB . GLU B 2 43 ? 20.271 18.048 63.993 1.00 73.91 ? 43 GLU B CB 1 +ATOM 1409 C CG . GLU B 2 43 ? 19.034 18.030 64.943 1.00 61.81 ? 43 GLU B CG 1 +ATOM 1410 C CD . GLU B 2 43 ? 17.534 19.892 64.537 1.00 78.77 ? 43 GLU B CD 1 +ATOM 1411 O OE1 . GLU B 2 43 ? 18.099 20.391 64.148 1.00 63.33 ? 43 GLU B OE1 1 +ATOM 1412 O OE2 . GLU B 2 43 ? 16.921 18.912 65.510 1.00 59.41 ? 43 GLU B OE2 1 +ATOM 1413 N N . SER B 2 44 ? 21.672 15.857 65.830 1.00 22.68 ? 44 SER B N 1 +ATOM 1414 C CA . SER B 2 44 ? 22.503 15.307 67.058 1.00 28.45 ? 44 SER B CA 1 +ATOM 1415 C C . SER B 2 44 ? 23.855 15.814 66.816 1.00 36.10 ? 44 SER B C 1 +ATOM 1416 O O . SER B 2 44 ? 24.793 14.805 67.412 1.00 25.24 ? 44 SER B O 1 +ATOM 1417 C CB . SER B 2 44 ? 22.000 14.024 67.279 1.00 27.61 ? 44 SER B CB 1 +ATOM 1418 O OG . SER B 2 44 ? 22.051 12.879 67.014 1.00 37.26 ? 44 SER B OG 1 +ATOM 1419 N N . PHE B 2 45 ? 24.467 15.260 65.502 1.00 28.36 ? 45 PHE B N 1 +ATOM 1420 C CA . PHE B 2 45 ? 25.770 14.989 64.990 1.00 25.47 ? 45 PHE B CA 1 +ATOM 1421 C C . PHE B 2 45 ? 26.527 16.169 65.164 1.00 26.28 ? 45 PHE B C 1 +ATOM 1422 O O . PHE B 2 45 ? 27.753 16.023 64.770 1.00 31.39 ? 45 PHE B O 1 +ATOM 1423 C CB . PHE B 2 45 ? 25.572 14.491 63.473 1.00 22.10 ? 45 PHE B CB 1 +ATOM 1424 C CG . PHE B 2 45 ? 25.225 12.900 63.251 1.00 18.85 ? 45 PHE B CG 1 +ATOM 1425 C CD1 . PHE B 2 45 ? 25.493 12.509 61.991 1.00 29.27 ? 45 PHE B CD1 1 +ATOM 1426 C CD2 . PHE B 2 45 ? 24.577 12.234 63.730 1.00 31.57 ? 45 PHE B CD2 1 +ATOM 1427 C CE1 . PHE B 2 45 ? 24.975 10.984 61.785 1.00 29.02 ? 45 PHE B CE1 1 +ATOM 1428 C CE2 . PHE B 2 45 ? 24.034 10.950 63.873 1.00 30.34 ? 45 PHE B CE2 1 +ATOM 1429 C CZ . PHE B 2 45 ? 24.465 10.568 62.553 1.00 36.33 ? 45 PHE B CZ 1 +ATOM 1430 N N . GLY B 2 46 ? 26.313 17.393 65.510 1.00 39.28 ? 46 GLY B N 1 +ATOM 1431 C CA . GLY B 2 46 ? 27.246 18.341 65.733 1.00 46.90 ? 46 GLY B CA 1 +ATOM 1432 C C . GLY B 2 46 ? 27.536 19.388 64.456 1.00 45.06 ? 46 GLY B C 1 +ATOM 1433 O O . GLY B 2 46 ? 26.302 19.697 63.787 1.00 36.42 ? 46 GLY B O 1 +ATOM 1434 N N . ASP B 2 47 ? 28.571 19.603 64.265 1.00 38.00 ? 47 ASP B N 1 +ATOM 1435 C CA . ASP B 2 47 ? 28.744 20.945 63.285 1.00 38.15 ? 47 ASP B CA 1 +ATOM 1436 C C . ASP B 2 47 ? 28.923 20.320 61.664 1.00 25.86 ? 47 ASP B C 1 +ATOM 1437 O O . ASP B 2 47 ? 29.507 19.212 61.459 1.00 25.46 ? 47 ASP B O 1 +ATOM 1438 C CB . ASP B 2 47 ? 30.305 21.062 63.500 1.00 44.07 ? 47 ASP B CB 1 +ATOM 1439 C CG . ASP B 2 47 ? 30.598 22.356 63.064 1.00 52.06 ? 47 ASP B CG 1 +ATOM 1440 O OD1 . ASP B 2 47 ? 31.810 22.713 62.656 1.00 44.54 ? 47 ASP B OD1 1 +ATOM 1441 O OD2 . ASP B 2 47 ? 29.498 23.189 61.934 1.00 35.33 ? 47 ASP B OD2 1 +ATOM 1442 N N . LEU B 2 48 ? 27.616 20.817 61.159 1.00 25.27 ? 48 LEU B N 1 +ATOM 1443 C CA . LEU B 2 48 ? 27.195 20.516 59.658 1.00 28.75 ? 48 LEU B CA 1 +ATOM 1444 C C . LEU B 2 48 ? 27.359 21.868 58.837 1.00 27.19 ? 48 LEU B C 1 +ATOM 1445 O O . LEU B 2 48 ? 26.783 21.885 57.854 1.00 27.20 ? 48 LEU B O 1 +ATOM 1446 C CB . LEU B 2 48 ? 26.061 19.712 59.685 1.00 23.96 ? 48 LEU B CB 1 +ATOM 1447 C CG . LEU B 2 48 ? 26.147 18.366 60.193 1.00 24.35 ? 48 LEU B CG 1 +ATOM 1448 C CD1 . LEU B 2 48 ? 24.674 17.669 60.176 1.00 34.74 ? 48 LEU B CD1 1 +ATOM 1449 C CD2 . LEU B 2 48 ? 27.014 17.420 59.898 1.00 34.58 ? 48 LEU B CD2 1 +ATOM 1450 N N . SER B 2 49 ? 28.166 22.710 59.317 1.00 41.94 ? 49 SER B N 1 +ATOM 1451 C CA . SER B 2 49 ? 27.653 24.095 58.528 1.00 46.28 ? 49 SER B CA 1 +ATOM 1452 C C . SER B 2 49 ? 28.836 24.315 58.009 1.00 38.86 ? 49 SER B C 1 +ATOM 1453 O O . SER B 2 49 ? 28.145 25.309 56.692 1.00 41.94 ? 49 SER B O 1 +ATOM 1454 C CB . SER B 2 49 ? 28.211 25.226 59.859 1.00 37.98 ? 49 SER B CB 1 +ATOM 1455 O OG . SER B 2 49 ? 29.864 24.821 59.990 1.00 37.71 ? 49 SER B OG 1 +ATOM 1456 N N . THR B 2 50 ? 29.633 23.753 57.118 1.00 28.29 ? 50 THR B N 1 +ATOM 1457 C CA . THR B 2 50 ? 30.293 23.646 56.020 1.00 30.77 ? 50 THR B CA 1 +ATOM 1458 C C . THR B 2 50 ? 30.692 22.309 55.262 1.00 28.12 ? 50 THR B C 1 +ATOM 1459 O O . THR B 2 50 ? 30.596 21.318 56.121 1.00 25.38 ? 50 THR B O 1 +ATOM 1460 C CB . THR B 2 50 ? 31.281 24.343 56.431 1.00 33.39 ? 50 THR B CB 1 +ATOM 1461 O OG1 . THR B 2 50 ? 32.568 23.798 56.723 1.00 37.96 ? 50 THR B OG1 1 +ATOM 1462 C CG2 . THR B 2 50 ? 31.581 26.014 56.850 1.00 29.64 ? 50 THR B CG2 1 +ATOM 1463 N N . PRO B 2 51 ? 31.235 22.383 54.039 1.00 28.96 ? 51 PRO B N 1 +ATOM 1464 C CA . PRO B 2 51 ? 31.363 21.112 53.427 1.00 22.25 ? 51 PRO B CA 1 +ATOM 1465 C C . PRO B 2 51 ? 32.464 20.383 54.092 1.00 19.80 ? 51 PRO B C 1 +ATOM 1466 O O . PRO B 2 51 ? 32.509 19.064 54.592 1.00 21.55 ? 51 PRO B O 1 +ATOM 1467 C CB . PRO B 2 51 ? 31.777 21.411 52.043 1.00 27.29 ? 51 PRO B CB 1 +ATOM 1468 C CG . PRO B 2 51 ? 30.901 22.636 51.765 1.00 23.54 ? 51 PRO B CG 1 +ATOM 1469 C CD . PRO B 2 51 ? 30.984 23.482 52.882 1.00 26.04 ? 51 PRO B CD 1 +ATOM 1470 N N . ASP B 2 52 ? 33.573 21.100 54.587 1.00 21.99 ? 52 ASP B N 1 +ATOM 1471 C CA . ASP B 2 52 ? 34.693 20.555 55.266 1.00 20.50 ? 52 ASP B CA 1 +ATOM 1472 C C . ASP B 2 52 ? 34.268 19.949 56.573 1.00 16.32 ? 52 ASP B C 1 +ATOM 1473 O O . ASP B 2 52 ? 34.691 18.896 57.123 1.00 25.55 ? 52 ASP B O 1 +ATOM 1474 C CB . ASP B 2 52 ? 35.752 21.612 55.477 1.00 32.17 ? 52 ASP B CB 1 +ATOM 1475 C CG . ASP B 2 52 ? 36.929 21.429 54.164 1.00 47.24 ? 52 ASP B CG 1 +ATOM 1476 O OD1 . ASP B 2 52 ? 36.680 20.750 53.390 1.00 41.78 ? 52 ASP B OD1 1 +ATOM 1477 O OD2 . ASP B 2 52 ? 36.916 22.731 53.687 1.00 62.08 ? 52 ASP B OD2 1 +ATOM 1478 N N . ALA B 2 53 ? 33.361 20.726 57.276 1.00 23.18 ? 53 ALA B N 1 +ATOM 1479 C CA . ALA B 2 53 ? 32.844 20.258 58.619 1.00 24.60 ? 53 ALA B CA 1 +ATOM 1480 C C . ALA B 2 53 ? 32.206 18.895 58.668 1.00 20.91 ? 53 ALA B C 1 +ATOM 1481 O O . ALA B 2 53 ? 32.090 17.908 59.278 1.00 20.19 ? 53 ALA B O 1 +ATOM 1482 C CB . ALA B 2 53 ? 32.049 21.204 59.196 1.00 23.45 ? 53 ALA B CB 1 +ATOM 1483 N N . VAL B 2 54 ? 31.308 18.796 57.491 1.00 19.02 ? 54 VAL B N 1 +ATOM 1484 C CA . VAL B 2 54 ? 30.564 17.620 57.179 1.00 17.30 ? 54 VAL B CA 1 +ATOM 1485 C C . VAL B 2 54 ? 31.369 16.629 56.892 1.00 15.03 ? 54 VAL B C 1 +ATOM 1486 O O . VAL B 2 54 ? 31.270 15.401 57.462 1.00 19.06 ? 54 VAL B O 1 +ATOM 1487 C CB . VAL B 2 54 ? 29.403 17.941 55.990 1.00 27.63 ? 54 VAL B CB 1 +ATOM 1488 C CG1 . VAL B 2 54 ? 28.907 16.562 55.615 1.00 22.46 ? 54 VAL B CG1 1 +ATOM 1489 C CG2 . VAL B 2 54 ? 28.538 19.064 56.220 1.00 27.27 ? 54 VAL B CG2 1 +ATOM 1490 N N . MET B 2 55 ? 32.357 16.743 55.982 1.00 21.73 ? 55 MET B N 1 +ATOM 1491 C CA . MET B 2 55 ? 33.054 15.609 55.540 1.00 17.86 ? 55 MET B CA 1 +ATOM 1492 C C . MET B 2 55 ? 33.996 15.072 56.627 1.00 32.16 ? 55 MET B C 1 +ATOM 1493 O O . MET B 2 55 ? 34.290 13.907 56.420 1.00 26.15 ? 55 MET B O 1 +ATOM 1494 C CB . MET B 2 55 ? 33.952 15.947 54.243 1.00 19.12 ? 55 MET B CB 1 +ATOM 1495 C CG . MET B 2 55 ? 33.141 16.382 53.020 1.00 18.10 ? 55 MET B CG 1 +ATOM 1496 S SD . MET B 2 55 ? 31.861 15.161 52.513 1.00 21.28 ? 55 MET B SD 1 +ATOM 1497 C CE . MET B 2 55 ? 32.682 13.865 51.996 1.00 20.66 ? 55 MET B CE 1 +ATOM 1498 N N . GLY B 2 56 ? 34.386 16.003 57.436 1.00 24.42 ? 56 GLY B N 1 +ATOM 1499 C CA . GLY B 2 56 ? 35.296 15.455 58.518 1.00 36.79 ? 56 GLY B CA 1 +ATOM 1500 C C . GLY B 2 56 ? 34.541 15.418 59.871 1.00 33.28 ? 56 GLY B C 1 +ATOM 1501 O O . GLY B 2 56 ? 35.077 14.753 60.847 1.00 24.94 ? 56 GLY B O 1 +ATOM 1502 N N . ASN B 2 57 ? 33.307 15.048 60.021 1.00 22.01 ? 57 ASN B N 1 +ATOM 1503 C CA . ASN B 2 57 ? 32.555 14.951 61.137 1.00 15.71 ? 57 ASN B CA 1 +ATOM 1504 C C . ASN B 2 57 ? 32.541 13.537 61.403 1.00 17.88 ? 57 ASN B C 1 +ATOM 1505 O O . ASN B 2 57 ? 32.081 12.554 60.633 1.00 18.04 ? 57 ASN B O 1 +ATOM 1506 C CB . ASN B 2 57 ? 31.187 15.397 61.070 1.00 21.80 ? 57 ASN B CB 1 +ATOM 1507 C CG . ASN B 2 57 ? 30.292 15.074 62.241 1.00 18.78 ? 57 ASN B CG 1 +ATOM 1508 O OD1 . ASN B 2 57 ? 30.186 14.142 62.763 1.00 23.41 ? 57 ASN B OD1 1 +ATOM 1509 N ND2 . ASN B 2 57 ? 29.822 16.185 62.680 1.00 26.53 ? 57 ASN B ND2 1 +ATOM 1510 N N . PRO B 2 58 ? 32.939 12.966 62.539 1.00 24.81 ? 58 PRO B N 1 +ATOM 1511 C CA . PRO B 2 58 ? 32.953 11.618 62.948 1.00 24.38 ? 58 PRO B CA 1 +ATOM 1512 C C . PRO B 2 58 ? 31.744 10.783 62.954 1.00 16.45 ? 58 PRO B C 1 +ATOM 1513 O O . PRO B 2 58 ? 31.842 9.571 62.749 1.00 22.03 ? 58 PRO B O 1 +ATOM 1514 C CB . PRO B 2 58 ? 33.878 11.716 64.309 1.00 41.00 ? 58 PRO B CB 1 +ATOM 1515 C CG . PRO B 2 58 ? 33.855 12.879 64.413 1.00 36.46 ? 58 PRO B CG 1 +ATOM 1516 C CD . PRO B 2 58 ? 33.593 14.084 63.761 1.00 41.75 ? 58 PRO B CD 1 +ATOM 1517 N N . LYS B 2 59 ? 30.690 11.607 63.326 1.00 16.03 ? 59 LYS B N 1 +ATOM 1518 C CA . LYS B 2 59 ? 29.316 10.910 63.478 1.00 22.04 ? 59 LYS B CA 1 +ATOM 1519 C C . LYS B 2 59 ? 28.703 10.687 62.045 1.00 13.98 ? 59 LYS B C 1 +ATOM 1520 O O . LYS B 2 59 ? 28.239 9.529 61.769 1.00 15.67 ? 59 LYS B O 1 +ATOM 1521 C CB . LYS B 2 59 ? 28.485 11.682 64.225 1.00 22.22 ? 59 LYS B CB 1 +ATOM 1522 C CG . LYS B 2 59 ? 28.634 11.389 65.718 1.00 45.70 ? 59 LYS B CG 1 +ATOM 1523 C CD . LYS B 2 59 ? 28.929 12.249 66.141 1.00 44.05 ? 59 LYS B CD 1 +ATOM 1524 C CE . LYS B 2 59 ? 29.074 11.269 68.286 1.00 71.22 ? 59 LYS B CE 1 +ATOM 1525 N NZ . LYS B 2 59 ? 28.349 13.036 68.475 1.00 61.54 ? 59 LYS B NZ 1 +ATOM 1526 N N . VAL B 2 60 ? 29.170 11.514 61.262 1.00 17.28 ? 60 VAL B N 1 +ATOM 1527 C CA . VAL B 2 60 ? 28.793 11.401 59.842 1.00 18.21 ? 60 VAL B CA 1 +ATOM 1528 C C . VAL B 2 60 ? 29.285 10.148 59.387 1.00 17.60 ? 60 VAL B C 1 +ATOM 1529 O O . VAL B 2 60 ? 28.947 9.166 58.616 1.00 19.11 ? 60 VAL B O 1 +ATOM 1530 C CB . VAL B 2 60 ? 28.859 12.595 58.944 1.00 19.15 ? 60 VAL B CB 1 +ATOM 1531 C CG1 . VAL B 2 60 ? 29.001 12.193 57.505 1.00 20.44 ? 60 VAL B CG1 1 +ATOM 1532 C CG2 . VAL B 2 60 ? 28.092 13.731 59.411 1.00 20.64 ? 60 VAL B CG2 1 +ATOM 1533 N N . LYS B 2 61 ? 30.720 10.149 59.394 1.00 16.19 ? 61 LYS B N 1 +ATOM 1534 C CA . LYS B 2 61 ? 31.437 8.994 58.922 1.00 15.00 ? 61 LYS B CA 1 +ATOM 1535 C C . LYS B 2 61 ? 31.123 7.619 59.620 1.00 17.90 ? 61 LYS B C 1 +ATOM 1536 O O . LYS B 2 61 ? 30.729 6.567 58.998 1.00 20.52 ? 61 LYS B O 1 +ATOM 1537 C CB . LYS B 2 61 ? 32.919 9.167 59.431 1.00 23.50 ? 61 LYS B CB 1 +ATOM 1538 C CG . LYS B 2 61 ? 33.482 10.037 58.754 1.00 34.21 ? 61 LYS B CG 1 +ATOM 1539 C CD . LYS B 2 61 ? 35.156 10.532 59.573 1.00 48.05 ? 61 LYS B CD 1 +ATOM 1540 C CE . LYS B 2 61 ? 35.886 10.897 58.086 1.00 65.12 ? 61 LYS B CE 1 +ATOM 1541 N NZ . LYS B 2 61 ? 37.309 11.433 58.945 1.00 66.26 ? 61 LYS B NZ 1 +ATOM 1542 N N . ALA B 2 62 ? 30.722 7.614 60.851 1.00 18.99 ? 62 ALA B N 1 +ATOM 1543 C CA . ALA B 2 62 ? 30.224 6.336 61.457 1.00 20.11 ? 62 ALA B CA 1 +ATOM 1544 C C . ALA B 2 62 ? 28.818 5.927 60.836 1.00 23.44 ? 62 ALA B C 1 +ATOM 1545 O O . ALA B 2 62 ? 28.572 4.833 60.810 1.00 21.26 ? 62 ALA B O 1 +ATOM 1546 C CB . ALA B 2 62 ? 30.032 6.664 62.964 1.00 28.90 ? 62 ALA B CB 1 +ATOM 1547 N N . HIS B 2 63 ? 28.015 7.012 60.880 1.00 20.40 ? 63 HIS B N 1 +ATOM 1548 C CA . HIS B 2 63 ? 26.729 6.650 60.193 1.00 18.39 ? 63 HIS B CA 1 +ATOM 1549 C C . HIS B 2 63 ? 26.889 6.129 58.666 1.00 14.88 ? 63 HIS B C 1 +ATOM 1550 O O . HIS B 2 63 ? 26.280 4.992 58.407 1.00 18.29 ? 63 HIS B O 1 +ATOM 1551 C CB . HIS B 2 63 ? 25.810 7.692 60.227 1.00 22.46 ? 63 HIS B CB 1 +ATOM 1552 C CG . HIS B 2 63 ? 24.387 7.524 60.034 1.00 25.19 ? 63 HIS B CG 1 +ATOM 1553 N ND1 . HIS B 2 63 ? 23.737 6.196 60.755 1.00 24.68 ? 63 HIS B ND1 1 +ATOM 1554 C CD2 . HIS B 2 63 ? 23.573 7.600 58.834 1.00 20.46 ? 63 HIS B CD2 1 +ATOM 1555 C CE1 . HIS B 2 63 ? 22.354 6.140 60.009 1.00 21.48 ? 63 HIS B CE1 1 +ATOM 1556 N NE2 . HIS B 2 63 ? 22.342 6.888 59.069 1.00 20.00 ? 63 HIS B NE2 1 +ATOM 1557 N N . GLY B 2 64 ? 27.810 6.672 58.105 1.00 15.81 ? 64 GLY B N 1 +ATOM 1558 C CA . GLY B 2 64 ? 28.033 6.146 56.689 1.00 16.57 ? 64 GLY B CA 1 +ATOM 1559 C C . GLY B 2 64 ? 28.412 4.786 56.441 1.00 14.05 ? 64 GLY B C 1 +ATOM 1560 O O . GLY B 2 64 ? 28.198 3.916 55.788 1.00 17.38 ? 64 GLY B O 1 +ATOM 1561 N N . LYS B 2 65 ? 29.289 4.417 57.455 1.00 15.77 ? 65 LYS B N 1 +ATOM 1562 C CA . LYS B 2 65 ? 29.624 3.111 57.646 1.00 17.79 ? 65 LYS B CA 1 +ATOM 1563 C C . LYS B 2 65 ? 28.652 2.044 57.934 1.00 18.32 ? 65 LYS B C 1 +ATOM 1564 O O . LYS B 2 65 ? 28.717 0.965 57.492 1.00 19.33 ? 65 LYS B O 1 +ATOM 1565 C CB . LYS B 2 65 ? 31.038 2.891 58.736 1.00 34.65 ? 65 LYS B CB 1 +ATOM 1566 C CG . LYS B 2 65 ? 30.760 2.836 59.239 1.00 64.04 ? 65 LYS B CG 1 +ATOM 1567 C CD . LYS B 2 65 ? 32.863 2.562 60.547 1.00 58.77 ? 65 LYS B CD 1 +ATOM 1568 C CE . LYS B 2 65 ? 31.301 0.821 60.759 1.00 64.47 ? 65 LYS B CE 1 +ATOM 1569 N NZ . LYS B 2 65 ? 32.645 1.005 62.961 1.00 67.19 ? 65 LYS B NZ 1 +ATOM 1570 N N . LYS B 2 66 ? 27.784 2.452 58.741 1.00 17.45 ? 66 LYS B N 1 +ATOM 1571 C CA . LYS B 2 66 ? 26.981 1.647 59.064 1.00 20.10 ? 66 LYS B CA 1 +ATOM 1572 C C . LYS B 2 66 ? 25.732 1.397 57.905 1.00 21.06 ? 66 LYS B C 1 +ATOM 1573 O O . LYS B 2 66 ? 25.275 0.239 57.722 1.00 17.84 ? 66 LYS B O 1 +ATOM 1574 C CB . LYS B 2 66 ? 26.005 2.163 60.308 1.00 22.19 ? 66 LYS B CB 1 +ATOM 1575 C CG . LYS B 2 66 ? 24.848 1.534 60.799 1.00 40.97 ? 66 LYS B CG 1 +ATOM 1576 C CD . LYS B 2 66 ? 24.242 2.135 62.106 1.00 49.22 ? 66 LYS B CD 1 +ATOM 1577 C CE . LYS B 2 66 ? 24.502 0.018 63.132 1.00 72.58 ? 66 LYS B CE 1 +ATOM 1578 N NZ . LYS B 2 66 ? 23.240 0.427 64.358 1.00 70.66 ? 66 LYS B NZ 1 +ATOM 1579 N N . VAL B 2 67 ? 25.441 2.603 57.382 1.00 16.93 ? 67 VAL B N 1 +ATOM 1580 C CA . VAL B 2 67 ? 24.566 2.397 56.066 1.00 19.22 ? 67 VAL B CA 1 +ATOM 1581 C C . VAL B 2 67 ? 25.228 1.688 54.977 1.00 11.08 ? 67 VAL B C 1 +ATOM 1582 O O . VAL B 2 67 ? 24.646 0.608 54.474 1.00 14.57 ? 67 VAL B O 1 +ATOM 1583 C CB . VAL B 2 67 ? 24.039 3.841 55.692 1.00 21.56 ? 67 VAL B CB 1 +ATOM 1584 C CG1 . VAL B 2 67 ? 23.664 3.987 54.212 1.00 18.58 ? 67 VAL B CG1 1 +ATOM 1585 C CG2 . VAL B 2 67 ? 23.367 4.561 56.784 1.00 21.34 ? 67 VAL B CG2 1 +ATOM 1586 N N . LEU B 2 68 ? 26.430 1.946 54.676 1.00 11.62 ? 68 LEU B N 1 +ATOM 1587 C CA . LEU B 2 68 ? 27.064 1.154 53.609 1.00 15.23 ? 68 LEU B CA 1 +ATOM 1588 C C . LEU B 2 68 ? 27.274 -0.376 53.915 1.00 13.22 ? 68 LEU B C 1 +ATOM 1589 O O . LEU B 2 68 ? 27.457 -1.280 52.955 1.00 14.49 ? 68 LEU B O 1 +ATOM 1590 C CB . LEU B 2 68 ? 28.180 1.832 53.061 1.00 22.80 ? 68 LEU B CB 1 +ATOM 1591 C CG . LEU B 2 68 ? 28.319 2.218 51.578 1.00 26.57 ? 68 LEU B CG 1 +ATOM 1592 C CD1 . LEU B 2 68 ? 29.430 1.318 51.450 1.00 62.38 ? 68 LEU B CD1 1 +ATOM 1593 C CD2 . LEU B 2 68 ? 27.310 2.639 50.926 1.00 35.30 ? 68 LEU B CD2 1 +ATOM 1594 N N . GLY B 2 69 ? 27.605 -0.730 55.128 1.00 14.77 ? 69 GLY B N 1 +ATOM 1595 C CA . GLY B 2 69 ? 27.764 -1.956 55.488 1.00 20.29 ? 69 GLY B CA 1 +ATOM 1596 C C . GLY B 2 69 ? 26.565 -3.074 55.341 1.00 17.59 ? 69 GLY B C 1 +ATOM 1597 O O . GLY B 2 69 ? 26.517 -4.018 54.774 1.00 19.02 ? 69 GLY B O 1 +ATOM 1598 N N . ALA B 2 70 ? 25.321 -2.265 55.727 1.00 19.76 ? 70 ALA B N 1 +ATOM 1599 C CA . ALA B 2 70 ? 24.154 -2.840 55.368 1.00 20.35 ? 70 ALA B CA 1 +ATOM 1600 C C . ALA B 2 70 ? 23.895 -3.052 53.845 1.00 16.36 ? 70 ALA B C 1 +ATOM 1601 O O . ALA B 2 70 ? 23.394 -4.060 53.258 1.00 18.12 ? 70 ALA B O 1 +ATOM 1602 C CB . ALA B 2 70 ? 22.975 -2.192 55.902 1.00 18.92 ? 70 ALA B CB 1 +ATOM 1603 N N . PHE B 2 71 ? 24.173 -1.974 53.096 1.00 14.47 ? 71 PHE B N 1 +ATOM 1604 C CA . PHE B 2 71 ? 24.100 -2.103 51.628 1.00 18.37 ? 71 PHE B CA 1 +ATOM 1605 C C . PHE B 2 71 ? 25.108 -3.282 51.143 1.00 23.80 ? 71 PHE B C 1 +ATOM 1606 O O . PHE B 2 71 ? 24.583 -4.033 50.415 1.00 20.23 ? 71 PHE B O 1 +ATOM 1607 C CB . PHE B 2 71 ? 24.589 -0.722 51.190 1.00 13.73 ? 71 PHE B CB 1 +ATOM 1608 C CG . PHE B 2 71 ? 24.545 -0.688 49.683 1.00 18.08 ? 71 PHE B CG 1 +ATOM 1609 C CD1 . PHE B 2 71 ? 23.496 -0.251 49.042 1.00 25.10 ? 71 PHE B CD1 1 +ATOM 1610 C CD2 . PHE B 2 71 ? 25.736 -1.034 48.847 1.00 17.17 ? 71 PHE B CD2 1 +ATOM 1611 C CE1 . PHE B 2 71 ? 23.331 -0.083 47.561 1.00 19.10 ? 71 PHE B CE1 1 +ATOM 1612 C CE2 . PHE B 2 71 ? 25.512 -0.889 47.564 1.00 22.20 ? 71 PHE B CE2 1 +ATOM 1613 C CZ . PHE B 2 71 ? 24.336 -0.387 46.863 1.00 12.94 ? 71 PHE B CZ 1 +ATOM 1614 N N . SER B 2 72 ? 26.042 -3.403 51.598 1.00 20.10 ? 72 SER B N 1 +ATOM 1615 C CA . SER B 2 72 ? 27.257 -4.417 51.326 1.00 20.52 ? 72 SER B CA 1 +ATOM 1616 C C . SER B 2 72 ? 26.517 -5.733 51.387 1.00 24.58 ? 72 SER B C 1 +ATOM 1617 O O . SER B 2 72 ? 26.572 -6.730 50.496 1.00 22.06 ? 72 SER B O 1 +ATOM 1618 C CB . SER B 2 72 ? 28.639 -4.010 51.938 1.00 15.28 ? 72 SER B CB 1 +ATOM 1619 O OG . SER B 2 72 ? 29.686 -4.749 51.603 1.00 25.10 ? 72 SER B OG 1 +ATOM 1620 N N . ASP B 2 73 ? 26.041 -5.856 52.512 1.00 27.59 ? 73 ASP B N 1 +ATOM 1621 C CA . ASP B 2 73 ? 25.352 -7.250 52.855 1.00 37.45 ? 73 ASP B CA 1 +ATOM 1622 C C . ASP B 2 73 ? 24.444 -7.421 52.094 1.00 25.08 ? 73 ASP B C 1 +ATOM 1623 O O . ASP B 2 73 ? 23.895 -8.615 51.627 1.00 31.64 ? 73 ASP B O 1 +ATOM 1624 C CB . ASP B 2 73 ? 25.023 -7.152 54.512 1.00 36.32 ? 73 ASP B CB 1 +ATOM 1625 C CG . ASP B 2 73 ? 26.461 -7.272 55.438 1.00 45.09 ? 73 ASP B CG 1 +ATOM 1626 O OD1 . ASP B 2 73 ? 27.834 -7.343 54.925 1.00 37.33 ? 73 ASP B OD1 1 +ATOM 1627 O OD2 . ASP B 2 73 ? 26.237 -7.047 56.395 1.00 52.94 ? 73 ASP B OD2 1 +ATOM 1628 N N . GLY B 2 74 ? 23.441 -6.572 51.599 1.00 21.04 ? 74 GLY B N 1 +ATOM 1629 C CA . GLY B 2 74 ? 22.564 -6.653 50.680 1.00 15.14 ? 74 GLY B CA 1 +ATOM 1630 C C . GLY B 2 74 ? 22.673 -7.130 49.454 1.00 22.81 ? 74 GLY B C 1 +ATOM 1631 O O . GLY B 2 74 ? 22.161 -7.736 48.432 1.00 25.94 ? 74 GLY B O 1 +ATOM 1632 N N . LEU B 2 75 ? 24.224 -6.851 48.812 1.00 20.94 ? 75 LEU B N 1 +ATOM 1633 C CA . LEU B 2 75 ? 24.631 -7.205 47.555 1.00 15.84 ? 75 LEU B CA 1 +ATOM 1634 C C . LEU B 2 75 ? 24.817 -8.740 47.543 1.00 26.11 ? 75 LEU B C 1 +ATOM 1635 O O . LEU B 2 75 ? 24.856 -9.260 46.476 1.00 28.14 ? 75 LEU B O 1 +ATOM 1636 C CB . LEU B 2 75 ? 26.040 -6.751 47.143 1.00 21.09 ? 75 LEU B CB 1 +ATOM 1637 C CG . LEU B 2 75 ? 26.031 -5.478 47.234 1.00 27.76 ? 75 LEU B CG 1 +ATOM 1638 C CD1 . LEU B 2 75 ? 27.415 -4.635 46.802 1.00 33.03 ? 75 LEU B CD1 1 +ATOM 1639 C CD2 . LEU B 2 75 ? 25.121 -4.676 46.233 1.00 30.01 ? 75 LEU B CD2 1 +ATOM 1640 N N . ALA B 2 76 ? 24.841 -9.392 48.682 1.00 21.21 ? 76 ALA B N 1 +ATOM 1641 C CA . ALA B 2 76 ? 24.814 -10.715 48.578 1.00 22.79 ? 76 ALA B CA 1 +ATOM 1642 C C . ALA B 2 76 ? 23.577 -11.620 48.492 1.00 40.88 ? 76 ALA B C 1 +ATOM 1643 O O . ALA B 2 76 ? 23.432 -12.482 48.230 1.00 38.44 ? 76 ALA B O 1 +ATOM 1644 C CB . ALA B 2 76 ? 25.238 -11.384 49.962 1.00 29.05 ? 76 ALA B CB 1 +ATOM 1645 N N . HIS B 2 77 ? 22.286 -10.617 48.422 1.00 23.87 ? 77 HIS B N 1 +ATOM 1646 C CA . HIS B 2 77 ? 20.883 -11.221 48.468 1.00 21.57 ? 77 HIS B CA 1 +ATOM 1647 C C . HIS B 2 77 ? 20.295 -10.394 47.301 1.00 18.37 ? 77 HIS B C 1 +ATOM 1648 O O . HIS B 2 77 ? 19.103 -10.123 47.433 1.00 23.13 ? 77 HIS B O 1 +ATOM 1649 C CB . HIS B 2 77 ? 20.342 -10.717 49.648 1.00 29.02 ? 77 HIS B CB 1 +ATOM 1650 C CG . HIS B 2 77 ? 21.130 -11.489 50.886 1.00 36.16 ? 77 HIS B CG 1 +ATOM 1651 N ND1 . HIS B 2 77 ? 22.096 -11.238 51.877 1.00 45.10 ? 77 HIS B ND1 1 +ATOM 1652 C CD2 . HIS B 2 77 ? 20.846 -13.295 50.729 1.00 41.12 ? 77 HIS B CD2 1 +ATOM 1653 C CE1 . HIS B 2 77 ? 22.200 -12.279 52.330 1.00 37.52 ? 77 HIS B CE1 1 +ATOM 1654 N NE2 . HIS B 2 77 ? 21.671 -13.347 51.883 1.00 42.04 ? 77 HIS B NE2 1 +ATOM 1655 N N . LEU B 2 78 ? 20.851 -10.262 46.194 1.00 22.31 ? 78 LEU B N 1 +ATOM 1656 C CA . LEU B 2 78 ? 20.365 -9.324 45.195 1.00 20.28 ? 78 LEU B CA 1 +ATOM 1657 C C . LEU B 2 78 ? 19.156 -10.132 44.409 1.00 31.20 ? 78 LEU B C 1 +ATOM 1658 O O . LEU B 2 78 ? 18.262 -9.371 44.280 1.00 34.80 ? 78 LEU B O 1 +ATOM 1659 C CB . LEU B 2 78 ? 21.253 -9.352 43.861 1.00 19.92 ? 78 LEU B CB 1 +ATOM 1660 C CG . LEU B 2 78 ? 22.225 -8.042 44.227 1.00 39.49 ? 78 LEU B CG 1 +ATOM 1661 C CD1 . LEU B 2 78 ? 23.582 -8.277 43.406 1.00 34.16 ? 78 LEU B CD1 1 +ATOM 1662 C CD2 . LEU B 2 78 ? 21.878 -6.684 44.615 1.00 31.09 ? 78 LEU B CD2 1 +ATOM 1663 N N . ASP B 2 79 ? 18.771 -11.459 44.723 1.00 31.59 ? 79 ASP B N 1 +ATOM 1664 C CA . ASP B 2 79 ? 17.589 -12.316 44.081 1.00 37.85 ? 79 ASP B CA 1 +ATOM 1665 C C . ASP B 2 79 ? 16.449 -11.812 45.092 1.00 38.72 ? 79 ASP B C 1 +ATOM 1666 O O . ASP B 2 79 ? 15.611 -12.366 45.259 1.00 37.62 ? 79 ASP B O 1 +ATOM 1667 C CB . ASP B 2 79 ? 18.040 -13.706 44.668 1.00 48.10 ? 79 ASP B CB 1 +ATOM 1668 C CG . ASP B 2 79 ? 18.889 -13.996 43.907 1.00 61.60 ? 79 ASP B CG 1 +ATOM 1669 O OD1 . ASP B 2 79 ? 19.356 -15.070 44.043 1.00 57.05 ? 79 ASP B OD1 1 +ATOM 1670 O OD2 . ASP B 2 79 ? 18.847 -13.631 42.277 1.00 50.26 ? 79 ASP B OD2 1 +ATOM 1671 N N . ASN B 2 80 ? 16.795 -11.295 46.409 1.00 35.73 ? 80 ASN B N 1 +ATOM 1672 C CA . ASN B 2 80 ? 15.651 -11.345 47.702 1.00 42.30 ? 80 ASN B CA 1 +ATOM 1673 C C . ASN B 2 80 ? 16.175 -9.748 48.337 1.00 30.43 ? 80 ASN B C 1 +ATOM 1674 O O . ASN B 2 80 ? 16.151 -9.872 49.408 1.00 27.17 ? 80 ASN B O 1 +ATOM 1675 C CB . ASN B 2 80 ? 15.776 -12.483 48.444 1.00 45.64 ? 80 ASN B CB 1 +ATOM 1676 C CG . ASN B 2 80 ? 14.480 -12.719 49.598 1.00 49.79 ? 80 ASN B CG 1 +ATOM 1677 O OD1 . ASN B 2 80 ? 13.587 -11.566 49.220 1.00 49.18 ? 80 ASN B OD1 1 +ATOM 1678 N ND2 . ASN B 2 80 ? 15.278 -12.953 50.676 1.00 48.18 ? 80 ASN B ND2 1 +ATOM 1679 N N . LEU B 2 81 ? 16.091 -8.671 47.578 1.00 31.23 ? 81 LEU B N 1 +ATOM 1680 C CA . LEU B 2 81 ? 16.192 -7.362 48.628 1.00 24.59 ? 81 LEU B CA 1 +ATOM 1681 C C . LEU B 2 81 ? 15.248 -7.218 49.540 1.00 25.32 ? 81 LEU B C 1 +ATOM 1682 O O . LEU B 2 81 ? 15.246 -6.602 50.524 1.00 23.54 ? 81 LEU B O 1 +ATOM 1683 C CB . LEU B 2 81 ? 16.577 -6.500 47.545 1.00 29.09 ? 81 LEU B CB 1 +ATOM 1684 C CG . LEU B 2 81 ? 17.741 -6.352 46.662 1.00 21.46 ? 81 LEU B CG 1 +ATOM 1685 C CD1 . LEU B 2 81 ? 17.754 -5.398 45.555 1.00 28.62 ? 81 LEU B CD1 1 +ATOM 1686 C CD2 . LEU B 2 81 ? 19.020 -6.122 47.440 1.00 30.82 ? 81 LEU B CD2 1 +ATOM 1687 N N . LYS B 2 82 ? 13.754 -7.466 48.870 1.00 26.15 ? 82 LYS B N 1 +ATOM 1688 C CA . LYS B 2 82 ? 12.752 -6.939 49.865 1.00 24.25 ? 82 LYS B CA 1 +ATOM 1689 C C . LYS B 2 82 ? 12.748 -7.633 50.937 1.00 23.08 ? 82 LYS B C 1 +ATOM 1690 O O . LYS B 2 82 ? 12.539 -7.237 52.062 1.00 24.88 ? 82 LYS B O 1 +ATOM 1691 C CB . LYS B 2 82 ? 11.591 -7.426 48.920 1.00 40.41 ? 82 LYS B CB 1 +ATOM 1692 C CG . LYS B 2 82 ? 11.076 -6.189 48.197 1.00 39.73 ? 82 LYS B CG 1 +ATOM 1693 C CD . LYS B 2 82 ? 9.628 -6.569 47.342 1.00 66.91 ? 82 LYS B CD 1 +ATOM 1694 C CE . LYS B 2 82 ? 9.192 -6.472 47.878 1.00 59.33 ? 82 LYS B CE 1 +ATOM 1695 N NZ . LYS B 2 82 ? 7.242 -7.574 47.181 1.00 80.12 ? 82 LYS B NZ 1 +ATOM 1696 N N . GLY B 2 83 ? 13.057 -9.002 50.923 1.00 26.18 ? 83 GLY B N 1 +ATOM 1697 C CA . GLY B 2 83 ? 13.107 -9.670 52.371 1.00 41.64 ? 83 GLY B CA 1 +ATOM 1698 C C . GLY B 2 83 ? 14.245 -9.296 53.110 1.00 31.59 ? 83 GLY B C 1 +ATOM 1699 O O . GLY B 2 83 ? 14.105 -9.373 54.400 1.00 36.40 ? 83 GLY B O 1 +ATOM 1700 N N . THR B 2 84 ? 15.413 -9.150 52.440 1.00 26.72 ? 84 THR B N 1 +ATOM 1701 C CA . THR B 2 84 ? 16.708 -8.664 53.039 1.00 25.47 ? 84 THR B CA 1 +ATOM 1702 C C . THR B 2 84 ? 16.396 -7.544 54.027 1.00 33.72 ? 84 THR B C 1 +ATOM 1703 O O . THR B 2 84 ? 16.873 -7.154 54.961 1.00 27.43 ? 84 THR B O 1 +ATOM 1704 C CB . THR B 2 84 ? 17.962 -8.427 52.225 1.00 25.58 ? 84 THR B CB 1 +ATOM 1705 O OG1 . THR B 2 84 ? 18.109 -9.894 51.626 1.00 39.04 ? 84 THR B OG1 1 +ATOM 1706 C CG2 . THR B 2 84 ? 19.008 -8.264 52.889 1.00 30.76 ? 84 THR B CG2 1 +ATOM 1707 N N . PHE B 2 85 ? 15.643 -6.499 53.320 1.00 23.61 ? 85 PHE B N 1 +ATOM 1708 C CA . PHE B 2 85 ? 15.395 -5.051 53.846 1.00 21.59 ? 85 PHE B CA 1 +ATOM 1709 C C . PHE B 2 85 ? 14.189 -4.889 54.587 1.00 28.51 ? 85 PHE B C 1 +ATOM 1710 O O . PHE B 2 85 ? 13.901 -3.747 54.911 1.00 18.85 ? 85 PHE B O 1 +ATOM 1711 C CB . PHE B 2 85 ? 15.855 -3.968 52.826 1.00 18.34 ? 85 PHE B CB 1 +ATOM 1712 C CG . PHE B 2 85 ? 17.194 -3.959 52.461 1.00 13.87 ? 85 PHE B CG 1 +ATOM 1713 C CD1 . PHE B 2 85 ? 17.734 -4.377 51.221 1.00 16.61 ? 85 PHE B CD1 1 +ATOM 1714 C CD2 . PHE B 2 85 ? 18.032 -3.541 53.480 1.00 18.32 ? 85 PHE B CD2 1 +ATOM 1715 C CE1 . PHE B 2 85 ? 19.176 -4.355 51.065 1.00 27.99 ? 85 PHE B CE1 1 +ATOM 1716 C CE2 . PHE B 2 85 ? 19.422 -3.517 52.938 1.00 21.68 ? 85 PHE B CE2 1 +ATOM 1717 C CZ . PHE B 2 85 ? 20.124 -3.954 51.826 1.00 21.59 ? 85 PHE B CZ 1 +ATOM 1718 N N . ALA B 2 86 ? 13.377 -5.856 54.682 1.00 22.16 ? 86 ALA B N 1 +ATOM 1719 C CA . ALA B 2 86 ? 11.993 -5.682 55.343 1.00 23.14 ? 86 ALA B CA 1 +ATOM 1720 C C . ALA B 2 86 ? 11.972 -5.100 56.603 1.00 20.99 ? 86 ALA B C 1 +ATOM 1721 O O . ALA B 2 86 ? 11.299 -4.139 56.922 1.00 20.07 ? 86 ALA B O 1 +ATOM 1722 C CB . ALA B 2 86 ? 11.146 -6.991 55.344 1.00 23.69 ? 86 ALA B CB 1 +ATOM 1723 N N . THR B 2 87 ? 12.735 -5.635 57.509 1.00 14.82 ? 87 THR B N 1 +ATOM 1724 C CA . THR B 2 87 ? 12.678 -4.986 58.753 1.00 18.61 ? 87 THR B CA 1 +ATOM 1725 C C . THR B 2 87 ? 13.386 -3.568 58.875 1.00 25.42 ? 87 THR B C 1 +ATOM 1726 O O . THR B 2 87 ? 12.826 -2.709 59.502 1.00 23.63 ? 87 THR B O 1 +ATOM 1727 C CB . THR B 2 87 ? 14.000 -5.767 59.952 1.00 36.27 ? 87 THR B CB 1 +ATOM 1728 O OG1 . THR B 2 87 ? 13.210 -6.808 60.088 1.00 56.82 ? 87 THR B OG1 1 +ATOM 1729 C CG2 . THR B 2 87 ? 12.976 -5.320 61.638 1.00 60.80 ? 87 THR B CG2 1 +ATOM 1730 N N . LEU B 2 88 ? 14.494 -3.311 58.021 1.00 19.44 ? 88 LEU B N 1 +ATOM 1731 C CA . LEU B 2 88 ? 14.863 -1.940 57.992 1.00 17.97 ? 88 LEU B CA 1 +ATOM 1732 C C . LEU B 2 88 ? 13.869 -0.972 57.418 1.00 11.34 ? 88 LEU B C 1 +ATOM 1733 O O . LEU B 2 88 ? 13.870 0.172 57.765 1.00 17.71 ? 88 LEU B O 1 +ATOM 1734 C CB . LEU B 2 88 ? 16.225 -1.909 57.279 1.00 20.20 ? 88 LEU B CB 1 +ATOM 1735 C CG . LEU B 2 88 ? 17.476 -2.541 58.000 1.00 27.17 ? 88 LEU B CG 1 +ATOM 1736 C CD1 . LEU B 2 88 ? 18.459 -2.175 57.121 1.00 32.32 ? 88 LEU B CD1 1 +ATOM 1737 C CD2 . LEU B 2 88 ? 17.694 -1.401 59.012 1.00 27.72 ? 88 LEU B CD2 1 +ATOM 1738 N N . SER B 2 89 ? 13.086 -1.527 56.438 1.00 12.58 ? 89 SER B N 1 +ATOM 1739 C CA . SER B 2 89 ? 12.011 -0.626 55.862 1.00 15.21 ? 89 SER B CA 1 +ATOM 1740 C C . SER B 2 89 ? 11.062 -0.058 56.910 1.00 14.13 ? 89 SER B C 1 +ATOM 1741 O O . SER B 2 89 ? 10.732 1.133 57.128 1.00 14.29 ? 89 SER B O 1 +ATOM 1742 C CB . SER B 2 89 ? 11.475 -1.595 54.765 1.00 18.34 ? 89 SER B CB 1 +ATOM 1743 O OG . SER B 2 89 ? 10.337 -0.650 54.202 1.00 17.85 ? 89 SER B OG 1 +ATOM 1744 N N . GLU B 2 90 ? 10.552 -1.138 57.623 1.00 14.25 ? 90 GLU B N 1 +ATOM 1745 C CA . GLU B 2 90 ? 9.965 -0.806 58.777 1.00 20.50 ? 90 GLU B CA 1 +ATOM 1746 C C . GLU B 2 90 ? 10.137 0.214 59.891 1.00 13.47 ? 90 GLU B C 1 +ATOM 1747 O O . GLU B 2 90 ? 9.609 1.234 60.149 1.00 16.05 ? 90 GLU B O 1 +ATOM 1748 C CB . GLU B 2 90 ? 9.223 -2.276 59.606 1.00 21.76 ? 90 GLU B CB 1 +ATOM 1749 C CG . GLU B 2 90 ? 8.725 -2.865 58.558 1.00 48.13 ? 90 GLU B CG 1 +ATOM 1750 C CD . GLU B 2 90 ? 7.720 -4.495 59.331 1.00 78.64 ? 90 GLU B CD 1 +ATOM 1751 O OE1 . GLU B 2 90 ? 7.415 -4.113 60.110 1.00 55.55 ? 90 GLU B OE1 1 +ATOM 1752 O OE2 . GLU B 2 90 ? 8.521 -5.507 59.138 1.00 74.37 ? 90 GLU B OE2 1 +ATOM 1753 N N . LEU B 2 91 ? 11.567 -0.057 60.180 1.00 13.36 ? 91 LEU B N 1 +ATOM 1754 C CA . LEU B 2 91 ? 12.181 0.902 61.007 1.00 14.20 ? 91 LEU B CA 1 +ATOM 1755 C C . LEU B 2 91 ? 12.185 2.302 60.529 1.00 8.80 ? 91 LEU B C 1 +ATOM 1756 O O . LEU B 2 91 ? 12.016 3.329 61.175 1.00 10.74 ? 91 LEU B O 1 +ATOM 1757 C CB . LEU B 2 91 ? 13.489 0.161 61.281 1.00 12.00 ? 91 LEU B CB 1 +ATOM 1758 C CG . LEU B 2 91 ? 14.259 1.136 62.068 1.00 18.50 ? 91 LEU B CG 1 +ATOM 1759 C CD1 . LEU B 2 91 ? 13.765 0.939 63.614 1.00 20.79 ? 91 LEU B CD1 1 +ATOM 1760 C CD2 . LEU B 2 91 ? 15.545 1.089 62.089 1.00 37.40 ? 91 LEU B CD2 1 +ATOM 1761 N N . HIS B 2 92 ? 12.647 2.280 59.217 1.00 10.78 ? 92 HIS B N 1 +ATOM 1762 C CA . HIS B 2 92 ? 12.817 3.637 58.852 1.00 11.85 ? 92 HIS B CA 1 +ATOM 1763 C C . HIS B 2 92 ? 11.420 4.503 58.520 1.00 11.06 ? 92 HIS B C 1 +ATOM 1764 O O . HIS B 2 92 ? 11.376 5.713 58.688 1.00 13.45 ? 92 HIS B O 1 +ATOM 1765 C CB . HIS B 2 92 ? 13.457 3.591 57.357 1.00 9.95 ? 92 HIS B CB 1 +ATOM 1766 C CG . HIS B 2 92 ? 15.014 3.542 57.496 1.00 15.50 ? 92 HIS B CG 1 +ATOM 1767 N ND1 . HIS B 2 92 ? 15.623 2.168 57.649 1.00 15.27 ? 92 HIS B ND1 1 +ATOM 1768 C CD2 . HIS B 2 92 ? 16.075 4.369 57.297 1.00 23.76 ? 92 HIS B CD2 1 +ATOM 1769 C CE1 . HIS B 2 92 ? 17.046 2.567 57.759 1.00 16.99 ? 92 HIS B CE1 1 +ATOM 1770 N NE2 . HIS B 2 92 ? 17.154 3.772 57.405 1.00 14.76 ? 92 HIS B NE2 1 +ATOM 1771 N N . CYS B 2 93 ? 10.367 3.719 58.295 1.00 14.83 ? 93 CYS B N 1 +ATOM 1772 C CA . CYS B 2 93 ? 9.112 4.377 58.294 1.00 12.23 ? 93 CYS B CA 1 +ATOM 1773 C C . CYS B 2 93 ? 8.587 4.705 59.800 1.00 10.49 ? 93 CYS B C 1 +ATOM 1774 O O . CYS B 2 93 ? 8.276 5.751 59.973 1.00 18.01 ? 93 CYS B O 1 +ATOM 1775 C CB . CYS B 2 93 ? 8.281 3.423 57.531 1.00 15.43 ? 93 CYS B CB 1 +ATOM 1776 S SG . CYS B 2 93 ? 6.420 4.028 57.501 1.00 18.37 ? 93 CYS B SG 1 +ATOM 1777 N N . ASP B 2 94 ? 8.477 3.628 60.511 1.00 13.11 ? 94 ASP B N 1 +ATOM 1778 C CA . ASP B 2 94 ? 7.602 3.892 61.681 1.00 15.32 ? 94 ASP B CA 1 +ATOM 1779 C C . ASP B 2 94 ? 8.486 4.482 62.659 1.00 25.71 ? 94 ASP B C 1 +ATOM 1780 O O . ASP B 2 94 ? 7.929 5.292 63.634 1.00 21.65 ? 94 ASP B O 1 +ATOM 1781 C CB . ASP B 2 94 ? 7.209 2.585 62.280 1.00 21.65 ? 94 ASP B CB 1 +ATOM 1782 C CG . ASP B 2 94 ? 6.070 1.596 61.499 1.00 42.42 ? 94 ASP B CG 1 +ATOM 1783 O OD1 . ASP B 2 94 ? 5.627 2.378 60.842 1.00 30.02 ? 94 ASP B OD1 1 +ATOM 1784 O OD2 . ASP B 2 94 ? 6.292 0.683 61.756 1.00 43.30 ? 94 ASP B OD2 1 +ATOM 1785 N N . LYS B 2 95 ? 9.743 4.399 62.920 1.00 18.55 ? 95 LYS B N 1 +ATOM 1786 C CA . LYS B 2 95 ? 10.356 5.174 63.859 1.00 19.10 ? 95 LYS B CA 1 +ATOM 1787 C C . LYS B 2 95 ? 11.233 6.129 63.665 1.00 19.57 ? 95 LYS B C 1 +ATOM 1788 O O . LYS B 2 95 ? 11.350 7.105 64.149 1.00 21.87 ? 95 LYS B O 1 +ATOM 1789 C CB . LYS B 2 95 ? 11.286 3.933 64.605 1.00 25.95 ? 95 LYS B CB 1 +ATOM 1790 C CG . LYS B 2 95 ? 10.453 2.784 65.248 1.00 24.86 ? 95 LYS B CG 1 +ATOM 1791 C CD . LYS B 2 95 ? 9.495 3.620 66.283 1.00 36.14 ? 95 LYS B CD 1 +ATOM 1792 C CE . LYS B 2 95 ? 8.951 2.491 67.133 1.00 47.76 ? 95 LYS B CE 1 +ATOM 1793 N NZ . LYS B 2 95 ? 7.999 2.968 67.996 1.00 55.91 ? 95 LYS B NZ 1 +ATOM 1794 N N . LEU B 2 96 ? 12.022 6.029 62.377 1.00 12.40 ? 96 LEU B N 1 +ATOM 1795 C CA . LEU B 2 96 ? 12.770 7.089 61.920 1.00 11.86 ? 96 LEU B CA 1 +ATOM 1796 C C . LEU B 2 96 ? 12.265 8.264 61.098 1.00 15.10 ? 96 LEU B C 1 +ATOM 1797 O O . LEU B 2 96 ? 12.803 9.268 61.003 1.00 17.50 ? 96 LEU B O 1 +ATOM 1798 C CB . LEU B 2 96 ? 14.049 6.506 61.428 1.00 14.08 ? 96 LEU B CB 1 +ATOM 1799 C CG . LEU B 2 96 ? 14.773 5.204 62.092 1.00 12.34 ? 96 LEU B CG 1 +ATOM 1800 C CD1 . LEU B 2 96 ? 15.909 4.719 61.156 1.00 13.78 ? 96 LEU B CD1 1 +ATOM 1801 C CD2 . LEU B 2 96 ? 15.329 6.095 63.362 1.00 22.81 ? 96 LEU B CD2 1 +ATOM 1802 N N . HIS B 2 97 ? 11.140 7.868 60.450 1.00 15.44 ? 97 HIS B N 1 +ATOM 1803 C CA . HIS B 2 97 ? 10.417 8.927 59.716 1.00 18.15 ? 97 HIS B CA 1 +ATOM 1804 C C . HIS B 2 97 ? 11.255 9.475 58.551 1.00 12.24 ? 97 HIS B C 1 +ATOM 1805 O O . HIS B 2 97 ? 11.180 10.677 58.193 1.00 15.82 ? 97 HIS B O 1 +ATOM 1806 C CB . HIS B 2 97 ? 9.811 10.112 60.495 1.00 17.74 ? 97 HIS B CB 1 +ATOM 1807 C CG . HIS B 2 97 ? 9.130 9.569 61.875 1.00 16.77 ? 97 HIS B CG 1 +ATOM 1808 N ND1 . HIS B 2 97 ? 8.081 8.671 61.788 1.00 19.56 ? 97 HIS B ND1 1 +ATOM 1809 C CD2 . HIS B 2 97 ? 9.746 9.660 63.051 1.00 23.33 ? 97 HIS B CD2 1 +ATOM 1810 C CE1 . HIS B 2 97 ? 7.935 8.302 63.061 1.00 19.82 ? 97 HIS B CE1 1 +ATOM 1811 N NE2 . HIS B 2 97 ? 8.797 8.957 63.817 1.00 20.39 ? 97 HIS B NE2 1 +ATOM 1812 N N . VAL B 2 98 ? 11.844 8.510 57.770 1.00 13.81 ? 98 VAL B N 1 +ATOM 1813 C CA . VAL B 2 98 ? 12.806 9.035 56.715 1.00 9.22 ? 98 VAL B CA 1 +ATOM 1814 C C . VAL B 2 98 ? 11.854 8.910 55.326 1.00 9.86 ? 98 VAL B C 1 +ATOM 1815 O O . VAL B 2 98 ? 11.626 7.784 54.937 1.00 12.90 ? 98 VAL B O 1 +ATOM 1816 C CB . VAL B 2 98 ? 13.977 8.127 56.532 1.00 9.87 ? 98 VAL B CB 1 +ATOM 1817 C CG1 . VAL B 2 98 ? 14.839 8.538 55.444 1.00 14.91 ? 98 VAL B CG1 1 +ATOM 1818 C CG2 . VAL B 2 98 ? 14.946 8.305 57.863 1.00 11.36 ? 98 VAL B CG2 1 +ATOM 1819 N N . ASP B 2 99 ? 11.695 10.032 54.646 1.00 11.46 ? 99 ASP B N 1 +ATOM 1820 C CA . ASP B 2 99 ? 10.839 10.096 53.453 1.00 9.02 ? 99 ASP B CA 1 +ATOM 1821 C C . ASP B 2 99 ? 11.861 9.238 52.549 1.00 15.41 ? 99 ASP B C 1 +ATOM 1822 O O . ASP B 2 99 ? 13.084 9.428 52.306 1.00 10.63 ? 99 ASP B O 1 +ATOM 1823 C CB . ASP B 2 99 ? 11.004 11.443 52.964 1.00 9.79 ? 99 ASP B CB 1 +ATOM 1824 C CG . ASP B 2 99 ? 10.392 11.733 51.498 1.00 10.69 ? 99 ASP B CG 1 +ATOM 1825 O OD1 . ASP B 2 99 ? 10.276 13.006 51.280 1.00 15.04 ? 99 ASP B OD1 1 +ATOM 1826 O OD2 . ASP B 2 99 ? 10.115 10.654 50.905 1.00 11.07 ? 99 ASP B OD2 1 +ATOM 1827 N N . PRO B 2 100 ? 11.370 8.210 51.844 1.00 10.46 ? 100 PRO B N 1 +ATOM 1828 C CA . PRO B 2 100 ? 12.169 7.243 50.975 1.00 11.87 ? 100 PRO B CA 1 +ATOM 1829 C C . PRO B 2 100 ? 12.704 7.988 49.722 1.00 13.04 ? 100 PRO B C 1 +ATOM 1830 O O . PRO B 2 100 ? 13.720 7.314 49.176 1.00 13.79 ? 100 PRO B O 1 +ATOM 1831 C CB . PRO B 2 100 ? 11.245 6.194 50.534 1.00 17.03 ? 100 PRO B CB 1 +ATOM 1832 C CG . PRO B 2 100 ? 10.001 6.451 51.317 1.00 17.33 ? 100 PRO B CG 1 +ATOM 1833 C CD . PRO B 2 100 ? 9.983 7.753 52.015 1.00 9.97 ? 100 PRO B CD 1 +ATOM 1834 N N . GLU B 2 101 ? 12.441 9.226 49.510 1.00 9.66 ? 101 GLU B N 1 +ATOM 1835 C CA . GLU B 2 101 ? 13.146 10.025 48.465 1.00 11.29 ? 101 GLU B CA 1 +ATOM 1836 C C . GLU B 2 101 ? 14.600 10.176 48.709 1.00 17.59 ? 101 GLU B C 1 +ATOM 1837 O O . GLU B 2 101 ? 15.512 9.964 48.029 1.00 16.98 ? 101 GLU B O 1 +ATOM 1838 C CB . GLU B 2 101 ? 12.565 11.264 48.090 1.00 18.71 ? 101 GLU B CB 1 +ATOM 1839 C CG . GLU B 2 101 ? 13.234 12.142 47.080 1.00 30.25 ? 101 GLU B CG 1 +ATOM 1840 C CD . GLU B 2 101 ? 12.792 11.184 45.354 1.00 26.27 ? 101 GLU B CD 1 +ATOM 1841 O OE1 . GLU B 2 101 ? 11.846 10.542 45.593 1.00 25.29 ? 101 GLU B OE1 1 +ATOM 1842 O OE2 . GLU B 2 101 ? 13.771 11.867 45.076 1.00 34.30 ? 101 GLU B OE2 1 +ATOM 1843 N N . ASN B 2 102 ? 14.961 10.136 50.184 1.00 12.60 ? 102 ASN B N 1 +ATOM 1844 C CA . ASN B 2 102 ? 16.369 10.152 50.493 1.00 9.48 ? 102 ASN B CA 1 +ATOM 1845 C C . ASN B 2 102 ? 17.063 8.970 50.127 1.00 8.44 ? 102 ASN B C 1 +ATOM 1846 O O . ASN B 2 102 ? 18.341 9.096 49.822 1.00 13.92 ? 102 ASN B O 1 +ATOM 1847 C CB . ASN B 2 102 ? 16.392 10.174 52.043 1.00 18.27 ? 102 ASN B CB 1 +ATOM 1848 C CG . ASN B 2 102 ? 16.035 11.675 52.508 1.00 26.18 ? 102 ASN B CG 1 +ATOM 1849 O OD1 . ASN B 2 102 ? 16.519 12.467 52.399 1.00 20.87 ? 102 ASN B OD1 1 +ATOM 1850 N ND2 . ASN B 2 102 ? 14.769 11.607 53.284 1.00 25.76 ? 102 ASN B ND2 1 +ATOM 1851 N N . PHE B 2 103 ? 16.576 7.740 50.008 1.00 11.66 ? 103 PHE B N 1 +ATOM 1852 C CA . PHE B 2 103 ? 17.117 6.527 49.615 1.00 11.79 ? 103 PHE B CA 1 +ATOM 1853 C C . PHE B 2 103 ? 17.682 6.793 48.117 1.00 19.35 ? 103 PHE B C 1 +ATOM 1854 O O . PHE B 2 103 ? 18.655 6.279 47.673 1.00 16.06 ? 103 PHE B O 1 +ATOM 1855 C CB . PHE B 2 103 ? 16.402 5.295 49.735 1.00 12.75 ? 103 PHE B CB 1 +ATOM 1856 C CG . PHE B 2 103 ? 15.792 5.043 51.183 1.00 17.48 ? 103 PHE B CG 1 +ATOM 1857 C CD1 . PHE B 2 103 ? 16.626 5.371 52.232 1.00 13.65 ? 103 PHE B CD1 1 +ATOM 1858 C CD2 . PHE B 2 103 ? 14.575 4.624 51.277 1.00 13.36 ? 103 PHE B CD2 1 +ATOM 1859 C CE1 . PHE B 2 103 ? 16.035 5.299 53.523 1.00 14.94 ? 103 PHE B CE1 1 +ATOM 1860 C CE2 . PHE B 2 103 ? 14.089 4.494 52.678 1.00 14.24 ? 103 PHE B CE2 1 +ATOM 1861 C CZ . PHE B 2 103 ? 15.001 4.752 53.694 1.00 19.61 ? 103 PHE B CZ 1 +ATOM 1862 N N . ARG B 2 104 ? 16.765 7.434 47.327 1.00 13.60 ? 104 ARG B N 1 +ATOM 1863 C CA . ARG B 2 104 ? 17.161 7.494 45.912 1.00 17.00 ? 104 ARG B CA 1 +ATOM 1864 C C . ARG B 2 104 ? 18.212 8.452 45.689 1.00 13.66 ? 104 ARG B C 1 +ATOM 1865 O O . ARG B 2 104 ? 19.173 8.356 44.830 1.00 13.41 ? 104 ARG B O 1 +ATOM 1866 C CB . ARG B 2 104 ? 15.783 8.094 45.173 1.00 18.62 ? 104 ARG B CB 1 +ATOM 1867 C CG . ARG B 2 104 ? 14.727 7.128 45.067 1.00 31.60 ? 104 ARG B CG 1 +ATOM 1868 C CD . ARG B 2 104 ? 13.095 7.525 44.551 1.00 44.99 ? 104 ARG B CD 1 +ATOM 1869 N NE . ARG B 2 104 ? 12.264 6.376 45.402 1.00 53.69 ? 104 ARG B NE 1 +ATOM 1870 C CZ . ARG B 2 104 ? 11.048 7.024 43.780 1.00 80.12 ? 104 ARG B CZ 1 +ATOM 1871 N NH1 . ARG B 2 104 ? 10.472 8.797 43.599 1.00 72.76 ? 104 ARG B NH1 1 +ATOM 1872 N NH2 . ARG B 2 104 ? 10.315 5.334 43.073 1.00 80.07 ? 104 ARG B NH2 1 +ATOM 1873 N N . LEU B 2 105 ? 18.179 9.611 46.497 1.00 12.29 ? 105 LEU B N 1 +ATOM 1874 C CA . LEU B 2 105 ? 19.191 10.635 46.494 1.00 11.07 ? 105 LEU B CA 1 +ATOM 1875 C C . LEU B 2 105 ? 20.552 9.924 46.959 1.00 13.91 ? 105 LEU B C 1 +ATOM 1876 O O . LEU B 2 105 ? 21.557 10.172 46.270 1.00 14.94 ? 105 LEU B O 1 +ATOM 1877 C CB . LEU B 2 105 ? 18.946 11.643 47.458 1.00 12.50 ? 105 LEU B CB 1 +ATOM 1878 C CG . LEU B 2 105 ? 17.748 12.696 46.997 1.00 17.21 ? 105 LEU B CG 1 +ATOM 1879 C CD1 . LEU B 2 105 ? 17.583 13.597 48.206 1.00 19.52 ? 105 LEU B CD1 1 +ATOM 1880 C CD2 . LEU B 2 105 ? 18.097 13.435 45.709 1.00 25.82 ? 105 LEU B CD2 1 +ATOM 1881 N N . LEU B 2 106 ? 20.450 9.089 47.973 1.00 16.16 ? 106 LEU B N 1 +ATOM 1882 C CA . LEU B 2 106 ? 21.763 8.425 48.378 1.00 11.19 ? 106 LEU B CA 1 +ATOM 1883 C C . LEU B 2 106 ? 22.214 7.553 47.269 1.00 11.49 ? 106 LEU B C 1 +ATOM 1884 O O . LEU B 2 106 ? 23.428 7.518 46.964 1.00 14.59 ? 106 LEU B O 1 +ATOM 1885 C CB . LEU B 2 106 ? 21.660 7.731 49.668 1.00 9.57 ? 106 LEU B CB 1 +ATOM 1886 C CG . LEU B 2 106 ? 22.897 7.065 50.305 1.00 14.52 ? 106 LEU B CG 1 +ATOM 1887 C CD1 . LEU B 2 106 ? 23.904 8.021 50.433 1.00 20.21 ? 106 LEU B CD1 1 +ATOM 1888 C CD2 . LEU B 2 106 ? 22.520 6.257 51.230 1.00 25.23 ? 106 LEU B CD2 1 +ATOM 1889 N N . GLY B 2 107 ? 21.445 6.806 46.520 1.00 8.80 ? 107 GLY B N 1 +ATOM 1890 C CA . GLY B 2 107 ? 21.817 5.869 45.562 1.00 11.35 ? 107 GLY B CA 1 +ATOM 1891 C C . GLY B 2 107 ? 22.384 6.743 44.438 1.00 11.83 ? 107 GLY B C 1 +ATOM 1892 O O . GLY B 2 107 ? 23.467 6.245 43.887 1.00 14.42 ? 107 GLY B O 1 +ATOM 1893 N N . ASN B 2 108 ? 21.960 7.978 44.074 1.00 11.55 ? 108 ASN B N 1 +ATOM 1894 C CA . ASN B 2 108 ? 22.608 8.523 42.962 1.00 9.47 ? 108 ASN B CA 1 +ATOM 1895 C C . ASN B 2 108 ? 23.992 9.226 43.457 1.00 9.85 ? 108 ASN B C 1 +ATOM 1896 O O . ASN B 2 108 ? 24.912 9.193 42.667 1.00 13.16 ? 108 ASN B O 1 +ATOM 1897 C CB . ASN B 2 108 ? 21.780 9.680 42.568 1.00 16.47 ? 108 ASN B CB 1 +ATOM 1898 C CG . ASN B 2 108 ? 20.492 8.989 41.450 1.00 25.36 ? 108 ASN B CG 1 +ATOM 1899 O OD1 . ASN B 2 108 ? 20.887 7.781 40.992 1.00 28.00 ? 108 ASN B OD1 1 +ATOM 1900 N ND2 . ASN B 2 108 ? 19.971 10.061 41.576 1.00 42.45 ? 108 ASN B ND2 1 +ATOM 1901 N N . VAL B 2 109 ? 24.115 9.650 44.728 1.00 11.97 ? 109 VAL B N 1 +ATOM 1902 C CA . VAL B 2 109 ? 25.412 10.103 45.113 1.00 8.99 ? 109 VAL B CA 1 +ATOM 1903 C C . VAL B 2 109 ? 26.324 9.000 45.263 1.00 12.55 ? 109 VAL B C 1 +ATOM 1904 O O . VAL B 2 109 ? 27.607 9.148 44.937 1.00 13.71 ? 109 VAL B O 1 +ATOM 1905 C CB . VAL B 2 109 ? 25.253 10.738 46.568 1.00 15.07 ? 109 VAL B CB 1 +ATOM 1906 C CG1 . VAL B 2 109 ? 26.590 11.020 47.035 1.00 19.91 ? 109 VAL B CG1 1 +ATOM 1907 C CG2 . VAL B 2 109 ? 24.461 12.184 46.410 1.00 15.78 ? 109 VAL B CG2 1 +ATOM 1908 N N . LEU B 2 110 ? 25.910 7.733 45.661 1.00 9.97 ? 110 LEU B N 1 +ATOM 1909 C CA . LEU B 2 110 ? 26.757 6.506 45.671 1.00 9.78 ? 110 LEU B CA 1 +ATOM 1910 C C . LEU B 2 110 ? 27.367 6.331 44.318 1.00 13.14 ? 110 LEU B C 1 +ATOM 1911 O O . LEU B 2 110 ? 28.535 5.997 44.117 1.00 11.97 ? 110 LEU B O 1 +ATOM 1912 C CB . LEU B 2 110 ? 25.957 5.401 46.310 1.00 11.11 ? 110 LEU B CB 1 +ATOM 1913 C CG . LEU B 2 110 ? 26.834 4.024 46.377 1.00 18.59 ? 110 LEU B CG 1 +ATOM 1914 C CD1 . LEU B 2 110 ? 28.130 4.203 47.137 1.00 24.07 ? 110 LEU B CD1 1 +ATOM 1915 C CD2 . LEU B 2 110 ? 26.205 2.843 46.850 1.00 21.67 ? 110 LEU B CD2 1 +ATOM 1916 N N . VAL B 2 111 ? 26.547 6.334 43.267 1.00 10.25 ? 111 VAL B N 1 +ATOM 1917 C CA . VAL B 2 111 ? 26.938 6.102 41.847 1.00 8.08 ? 111 VAL B CA 1 +ATOM 1918 C C . VAL B 2 111 ? 28.040 7.090 41.618 1.00 10.10 ? 111 VAL B C 1 +ATOM 1919 O O . VAL B 2 111 ? 29.124 6.855 40.914 1.00 14.18 ? 111 VAL B O 1 +ATOM 1920 C CB . VAL B 2 111 ? 25.676 6.121 40.970 1.00 11.95 ? 111 VAL B CB 1 +ATOM 1921 C CG1 . VAL B 2 111 ? 26.242 6.178 39.537 1.00 16.64 ? 111 VAL B CG1 1 +ATOM 1922 C CG2 . VAL B 2 111 ? 25.037 4.792 41.207 1.00 12.92 ? 111 VAL B CG2 1 +ATOM 1923 N N . CYS B 2 112 ? 27.960 8.420 41.863 1.00 10.01 ? 112 CYS B N 1 +ATOM 1924 C CA . CYS B 2 112 ? 28.847 9.563 41.594 1.00 9.19 ? 112 CYS B CA 1 +ATOM 1925 C C . CYS B 2 112 ? 30.131 9.178 42.422 1.00 14.92 ? 112 CYS B C 1 +ATOM 1926 O O . CYS B 2 112 ? 31.189 9.331 41.766 1.00 13.93 ? 112 CYS B O 1 +ATOM 1927 C CB . CYS B 2 112 ? 28.575 10.834 42.020 1.00 15.04 ? 112 CYS B CB 1 +ATOM 1928 S SG . CYS B 2 112 ? 27.139 11.500 40.895 1.00 18.10 ? 112 CYS B SG 1 +ATOM 1929 N N . VAL B 2 113 ? 29.951 8.757 43.546 1.00 9.52 ? 113 VAL B N 1 +ATOM 1930 C CA . VAL B 2 113 ? 31.171 8.317 44.247 1.00 11.92 ? 113 VAL B CA 1 +ATOM 1931 C C . VAL B 2 113 ? 31.798 7.137 43.764 1.00 15.57 ? 113 VAL B C 1 +ATOM 1932 O O . VAL B 2 113 ? 33.201 7.308 43.648 1.00 13.38 ? 113 VAL B O 1 +ATOM 1933 C CB . VAL B 2 113 ? 30.902 8.062 45.830 1.00 12.70 ? 113 VAL B CB 1 +ATOM 1934 C CG1 . VAL B 2 113 ? 32.013 7.512 46.532 1.00 17.23 ? 113 VAL B CG1 1 +ATOM 1935 C CG2 . VAL B 2 113 ? 30.520 9.259 46.525 1.00 17.43 ? 113 VAL B CG2 1 +ATOM 1936 N N . LEU B 2 114 ? 31.324 6.062 43.240 1.00 10.74 ? 114 LEU B N 1 +ATOM 1937 C CA . LEU B 2 114 ? 31.995 5.039 42.534 1.00 10.20 ? 114 LEU B CA 1 +ATOM 1938 C C . LEU B 2 114 ? 32.751 5.641 41.395 1.00 10.87 ? 114 LEU B C 1 +ATOM 1939 O O . LEU B 2 114 ? 33.824 5.007 41.071 1.00 12.76 ? 114 LEU B O 1 +ATOM 1940 C CB . LEU B 2 114 ? 31.037 4.015 42.440 1.00 6.84 ? 114 LEU B CB 1 +ATOM 1941 C CG . LEU B 2 114 ? 30.484 3.267 43.633 1.00 10.74 ? 114 LEU B CG 1 +ATOM 1942 C CD1 . LEU B 2 114 ? 29.376 2.363 43.252 1.00 15.38 ? 114 LEU B CD1 1 +ATOM 1943 C CD2 . LEU B 2 114 ? 31.564 2.546 44.369 1.00 21.35 ? 114 LEU B CD2 1 +ATOM 1944 N N . ALA B 2 115 ? 31.950 6.449 40.603 1.00 9.28 ? 115 ALA B N 1 +ATOM 1945 C CA . ALA B 2 115 ? 32.629 6.932 39.378 1.00 9.22 ? 115 ALA B CA 1 +ATOM 1946 C C . ALA B 2 115 ? 33.943 7.706 39.770 1.00 9.44 ? 115 ALA B C 1 +ATOM 1947 O O . ALA B 2 115 ? 34.940 7.623 39.058 1.00 12.10 ? 115 ALA B O 1 +ATOM 1948 C CB . ALA B 2 115 ? 31.504 7.732 38.806 1.00 12.15 ? 115 ALA B CB 1 +ATOM 1949 N N . HIS B 2 116 ? 33.816 8.499 40.800 1.00 13.11 ? 116 HIS B N 1 +ATOM 1950 C CA . HIS B 2 116 ? 35.039 9.373 41.116 1.00 12.81 ? 116 HIS B CA 1 +ATOM 1951 C C . HIS B 2 116 ? 36.081 8.435 41.541 1.00 18.85 ? 116 HIS B C 1 +ATOM 1952 O O . HIS B 2 116 ? 37.296 8.634 41.255 1.00 16.05 ? 116 HIS B O 1 +ATOM 1953 C CB . HIS B 2 116 ? 34.646 10.209 42.207 1.00 17.43 ? 116 HIS B CB 1 +ATOM 1954 C CG . HIS B 2 116 ? 35.561 11.207 42.576 1.00 27.80 ? 116 HIS B CG 1 +ATOM 1955 N ND1 . HIS B 2 116 ? 36.060 11.260 44.002 1.00 27.30 ? 116 HIS B ND1 1 +ATOM 1956 C CD2 . HIS B 2 116 ? 36.306 12.087 41.963 1.00 25.62 ? 116 HIS B CD2 1 +ATOM 1957 C CE1 . HIS B 2 116 ? 36.918 12.464 43.926 1.00 29.22 ? 116 HIS B CE1 1 +ATOM 1958 N NE2 . HIS B 2 116 ? 37.254 12.813 42.709 1.00 26.05 ? 116 HIS B NE2 1 +ATOM 1959 N N . HIS B 2 117 ? 35.860 7.439 42.432 1.00 11.35 ? 117 HIS B N 1 +ATOM 1960 C CA . HIS B 2 117 ? 36.734 6.446 42.798 1.00 18.75 ? 117 HIS B CA 1 +ATOM 1961 C C . HIS B 2 117 ? 37.377 5.630 41.862 1.00 20.53 ? 117 HIS B C 1 +ATOM 1962 O O . HIS B 2 117 ? 38.574 5.322 41.965 1.00 17.07 ? 117 HIS B O 1 +ATOM 1963 C CB . HIS B 2 117 ? 36.171 5.346 43.914 1.00 19.57 ? 117 HIS B CB 1 +ATOM 1964 C CG . HIS B 2 117 ? 36.730 5.390 45.148 1.00 39.90 ? 117 HIS B CG 1 +ATOM 1965 N ND1 . HIS B 2 117 ? 35.958 7.148 45.440 1.00 47.73 ? 117 HIS B ND1 1 +ATOM 1966 C CD2 . HIS B 2 117 ? 37.731 4.613 46.215 1.00 38.82 ? 117 HIS B CD2 1 +ATOM 1967 C CE1 . HIS B 2 117 ? 36.348 7.354 47.132 1.00 27.38 ? 117 HIS B CE1 1 +ATOM 1968 N NE2 . HIS B 2 117 ? 36.619 5.926 47.606 1.00 51.83 ? 117 HIS B NE2 1 +ATOM 1969 N N . PHE B 2 118 ? 36.692 4.986 40.818 1.00 13.44 ? 118 PHE B N 1 +ATOM 1970 C CA . PHE B 2 118 ? 37.014 4.043 39.859 1.00 13.47 ? 118 PHE B CA 1 +ATOM 1971 C C . PHE B 2 118 ? 37.444 4.713 38.545 1.00 14.52 ? 118 PHE B C 1 +ATOM 1972 O O . PHE B 2 118 ? 38.084 3.890 37.815 1.00 15.85 ? 118 PHE B O 1 +ATOM 1973 C CB . PHE B 2 118 ? 36.116 2.965 39.861 1.00 14.99 ? 118 PHE B CB 1 +ATOM 1974 C CG . PHE B 2 118 ? 36.191 2.189 40.958 1.00 22.65 ? 118 PHE B CG 1 +ATOM 1975 C CD1 . PHE B 2 118 ? 35.152 2.240 41.907 1.00 28.61 ? 118 PHE B CD1 1 +ATOM 1976 C CD2 . PHE B 2 118 ? 37.350 1.364 41.568 1.00 34.26 ? 118 PHE B CD2 1 +ATOM 1977 C CE1 . PHE B 2 118 ? 35.094 1.336 43.117 1.00 29.50 ? 118 PHE B CE1 1 +ATOM 1978 C CE2 . PHE B 2 118 ? 37.061 0.545 42.336 1.00 36.60 ? 118 PHE B CE2 1 +ATOM 1979 C CZ . PHE B 2 118 ? 36.420 0.704 43.514 1.00 30.15 ? 118 PHE B CZ 1 +ATOM 1980 N N . GLY B 2 119 ? 37.037 5.931 38.263 1.00 13.81 ? 119 GLY B N 1 +ATOM 1981 C CA . GLY B 2 119 ? 37.483 6.600 36.972 1.00 14.28 ? 119 GLY B CA 1 +ATOM 1982 C C . GLY B 2 119 ? 36.993 5.780 35.914 1.00 17.07 ? 119 GLY B C 1 +ATOM 1983 O O . GLY B 2 119 ? 35.856 5.078 35.849 1.00 16.48 ? 119 GLY B O 1 +ATOM 1984 N N . LYS B 2 120 ? 37.833 5.452 35.098 1.00 19.17 ? 120 LYS B N 1 +ATOM 1985 C CA . LYS B 2 120 ? 37.444 4.794 33.789 1.00 27.00 ? 120 LYS B CA 1 +ATOM 1986 C C . LYS B 2 120 ? 37.151 3.243 33.898 1.00 25.94 ? 120 LYS B C 1 +ATOM 1987 O O . LYS B 2 120 ? 36.407 2.864 32.926 1.00 20.66 ? 120 LYS B O 1 +ATOM 1988 C CB . LYS B 2 120 ? 38.717 4.719 32.695 1.00 31.85 ? 120 LYS B CB 1 +ATOM 1989 C CG . LYS B 2 120 ? 39.715 3.907 32.983 1.00 36.58 ? 120 LYS B CG 1 +ATOM 1990 C CD . LYS B 2 120 ? 40.877 3.964 31.828 1.00 49.76 ? 120 LYS B CD 1 +ATOM 1991 C CE . LYS B 2 120 ? 41.776 2.748 32.527 1.00 55.47 ? 120 LYS B CE 1 +ATOM 1992 N NZ . LYS B 2 120 ? 42.747 2.136 31.882 1.00 71.03 ? 120 LYS B NZ 1 +ATOM 1993 N N . GLU B 2 121 ? 37.349 2.635 34.924 1.00 20.26 ? 121 GLU B N 1 +ATOM 1994 C CA . GLU B 2 121 ? 36.843 1.463 35.180 1.00 15.17 ? 121 GLU B CA 1 +ATOM 1995 C C . GLU B 2 121 ? 35.221 1.422 35.454 1.00 13.63 ? 121 GLU B C 1 +ATOM 1996 O O . GLU B 2 121 ? 34.600 0.299 35.287 1.00 17.16 ? 121 GLU B O 1 +ATOM 1997 C CB . GLU B 2 121 ? 37.641 0.681 36.440 1.00 29.40 ? 121 GLU B CB 1 +ATOM 1998 C CG . GLU B 2 121 ? 37.776 -0.389 36.350 1.00 50.25 ? 121 GLU B CG 1 +ATOM 1999 C CD . GLU B 2 121 ? 38.514 -0.879 38.219 1.00 42.74 ? 121 GLU B CD 1 +ATOM 2000 O OE1 . GLU B 2 121 ? 37.769 -2.588 38.099 1.00 47.83 ? 121 GLU B OE1 1 +ATOM 2001 O OE2 . GLU B 2 121 ? 39.522 -0.612 37.786 1.00 34.52 ? 121 GLU B OE2 1 +ATOM 2002 N N . PHE B 2 122 ? 34.686 2.592 35.779 1.00 14.63 ? 122 PHE B N 1 +ATOM 2003 C CA . PHE B 2 122 ? 33.208 2.598 36.050 1.00 15.34 ? 122 PHE B CA 1 +ATOM 2004 C C . PHE B 2 122 ? 32.600 2.904 34.602 1.00 13.61 ? 122 PHE B C 1 +ATOM 2005 O O . PHE B 2 122 ? 32.214 3.990 34.311 1.00 14.29 ? 122 PHE B O 1 +ATOM 2006 C CB . PHE B 2 122 ? 33.007 3.812 37.059 1.00 12.07 ? 122 PHE B CB 1 +ATOM 2007 C CG . PHE B 2 122 ? 31.605 3.616 37.638 1.00 11.02 ? 122 PHE B CG 1 +ATOM 2008 C CD1 . PHE B 2 122 ? 31.260 2.534 38.386 1.00 16.65 ? 122 PHE B CD1 1 +ATOM 2009 C CD2 . PHE B 2 122 ? 30.777 4.610 37.392 1.00 10.83 ? 122 PHE B CD2 1 +ATOM 2010 C CE1 . PHE B 2 122 ? 30.002 2.369 39.056 1.00 13.73 ? 122 PHE B CE1 1 +ATOM 2011 C CE2 . PHE B 2 122 ? 29.411 4.522 37.920 1.00 12.97 ? 122 PHE B CE2 1 +ATOM 2012 C CZ . PHE B 2 122 ? 29.152 3.303 38.695 1.00 16.05 ? 122 PHE B CZ 1 +ATOM 2013 N N . THR B 2 123 ? 32.600 1.895 33.880 1.00 18.07 ? 123 THR B N 1 +ATOM 2014 C CA . THR B 2 123 ? 32.186 2.047 32.424 1.00 21.03 ? 123 THR B CA 1 +ATOM 2015 C C . THR B 2 123 ? 30.529 2.404 32.419 1.00 27.18 ? 123 THR B C 1 +ATOM 2016 O O . THR B 2 123 ? 30.008 1.994 33.304 1.00 14.31 ? 123 THR B O 1 +ATOM 2017 C CB . THR B 2 123 ? 32.440 0.829 31.675 1.00 19.82 ? 123 THR B CB 1 +ATOM 2018 O OG1 . THR B 2 123 ? 31.959 -0.285 32.119 1.00 17.47 ? 123 THR B OG1 1 +ATOM 2019 C CG2 . THR B 2 123 ? 34.001 0.539 31.530 1.00 22.67 ? 123 THR B CG2 1 +ATOM 2020 N N . PRO B 2 124 ? 30.151 2.681 31.324 1.00 19.47 ? 124 PRO B N 1 +ATOM 2021 C CA . PRO B 2 124 ? 28.633 2.868 31.089 1.00 20.19 ? 124 PRO B CA 1 +ATOM 2022 C C . PRO B 2 124 ? 27.998 1.571 31.347 1.00 20.69 ? 124 PRO B C 1 +ATOM 2023 O O . PRO B 2 124 ? 26.917 1.728 32.159 1.00 13.34 ? 124 PRO B O 1 +ATOM 2024 C CB . PRO B 2 124 ? 28.395 3.364 29.685 1.00 17.09 ? 124 PRO B CB 1 +ATOM 2025 C CG . PRO B 2 124 ? 29.748 4.109 29.363 1.00 18.87 ? 124 PRO B CG 1 +ATOM 2026 C CD . PRO B 2 124 ? 31.011 3.279 29.986 1.00 24.42 ? 124 PRO B CD 1 +ATOM 2027 N N . PRO B 2 125 ? 28.286 0.449 31.039 1.00 16.20 ? 125 PRO B N 1 +ATOM 2028 C CA . PRO B 2 125 ? 27.684 -0.856 31.332 1.00 16.84 ? 125 PRO B CA 1 +ATOM 2029 C C . PRO B 2 125 ? 27.690 -1.176 32.808 1.00 14.92 ? 125 PRO B C 1 +ATOM 2030 O O . PRO B 2 125 ? 26.663 -1.615 33.381 1.00 16.05 ? 125 PRO B O 1 +ATOM 2031 C CB . PRO B 2 125 ? 28.185 -2.049 30.625 1.00 19.48 ? 125 PRO B CB 1 +ATOM 2032 C CG . PRO B 2 125 ? 28.809 -1.362 29.575 1.00 21.56 ? 125 PRO B CG 1 +ATOM 2033 C CD . PRO B 2 125 ? 29.414 -0.069 29.918 1.00 25.73 ? 125 PRO B CD 1 +ATOM 2034 N N . VAL B 2 126 ? 28.765 -0.867 33.373 1.00 13.83 ? 126 VAL B N 1 +ATOM 2035 C CA . VAL B 2 126 ? 28.840 -1.009 34.813 1.00 19.80 ? 126 VAL B CA 1 +ATOM 2036 C C . VAL B 2 126 ? 28.184 0.063 35.537 1.00 14.89 ? 126 VAL B C 1 +ATOM 2037 O O . VAL B 2 126 ? 27.330 -0.369 36.578 1.00 13.92 ? 126 VAL B O 1 +ATOM 2038 C CB . VAL B 2 126 ? 30.424 -0.798 35.209 1.00 19.55 ? 126 VAL B CB 1 +ATOM 2039 C CG1 . VAL B 2 126 ? 30.451 -1.057 36.707 1.00 21.55 ? 126 VAL B CG1 1 +ATOM 2040 C CG2 . VAL B 2 126 ? 31.158 -2.038 34.830 1.00 27.82 ? 126 VAL B CG2 1 +ATOM 2041 N N . GLN B 2 127 ? 28.001 1.226 35.276 1.00 13.64 ? 127 GLN B N 1 +ATOM 2042 C CA . GLN B 2 127 ? 27.063 2.198 35.706 1.00 9.72 ? 127 GLN B CA 1 +ATOM 2043 C C . GLN B 2 127 ? 25.754 1.653 35.823 1.00 16.14 ? 127 GLN B C 1 +ATOM 2044 O O . GLN B 2 127 ? 24.830 1.725 36.597 1.00 12.24 ? 127 GLN B O 1 +ATOM 2045 C CB . GLN B 2 127 ? 27.221 3.578 35.167 1.00 13.15 ? 127 GLN B CB 1 +ATOM 2046 C CG . GLN B 2 127 ? 26.051 4.427 35.657 1.00 13.42 ? 127 GLN B CG 1 +ATOM 2047 C CD . GLN B 2 127 ? 26.125 5.650 34.901 1.00 16.28 ? 127 GLN B CD 1 +ATOM 2048 O OE1 . GLN B 2 127 ? 26.945 6.018 34.026 1.00 16.20 ? 127 GLN B OE1 1 +ATOM 2049 N NE2 . GLN B 2 127 ? 25.193 6.494 35.246 1.00 19.47 ? 127 GLN B NE2 1 +ATOM 2050 N N . ALA B 2 128 ? 25.230 1.263 34.553 1.00 15.15 ? 128 ALA B N 1 +ATOM 2051 C CA . ALA B 2 128 ? 23.943 0.688 34.376 1.00 15.02 ? 128 ALA B CA 1 +ATOM 2052 C C . ALA B 2 128 ? 23.465 -0.396 35.309 1.00 11.97 ? 128 ALA B C 1 +ATOM 2053 O O . ALA B 2 128 ? 22.404 -0.371 35.894 1.00 16.35 ? 128 ALA B O 1 +ATOM 2054 C CB . ALA B 2 128 ? 23.720 0.401 32.857 1.00 17.08 ? 128 ALA B CB 1 +ATOM 2055 N N . ALA B 2 129 ? 24.308 -1.350 35.606 1.00 13.66 ? 129 ALA B N 1 +ATOM 2056 C CA . ALA B 2 129 ? 24.137 -2.397 36.522 1.00 13.76 ? 129 ALA B CA 1 +ATOM 2057 C C . ALA B 2 129 ? 24.115 -1.791 37.970 1.00 10.22 ? 129 ALA B C 1 +ATOM 2058 O O . ALA B 2 129 ? 23.052 -2.233 38.660 1.00 10.46 ? 129 ALA B O 1 +ATOM 2059 C CB . ALA B 2 129 ? 25.227 -3.323 36.466 1.00 13.23 ? 129 ALA B CB 1 +ATOM 2060 N N . TYR B 2 130 ? 24.953 -0.861 38.304 1.00 10.66 ? 130 TYR B N 1 +ATOM 2061 C CA . TYR B 2 130 ? 24.699 -0.367 39.652 1.00 13.05 ? 130 TYR B CA 1 +ATOM 2062 C C . TYR B 2 130 ? 23.477 0.552 39.831 1.00 11.70 ? 130 TYR B C 1 +ATOM 2063 O O . TYR B 2 130 ? 22.913 0.650 40.845 1.00 11.83 ? 130 TYR B O 1 +ATOM 2064 C CB . TYR B 2 130 ? 25.960 0.538 39.984 1.00 11.97 ? 130 TYR B CB 1 +ATOM 2065 C CG . TYR B 2 130 ? 26.969 -0.272 40.746 1.00 13.90 ? 130 TYR B CG 1 +ATOM 2066 C CD1 . TYR B 2 130 ? 27.053 -0.401 42.107 1.00 15.61 ? 130 TYR B CD1 1 +ATOM 2067 C CD2 . TYR B 2 130 ? 28.019 -0.794 40.024 1.00 14.18 ? 130 TYR B CD2 1 +ATOM 2068 C CE1 . TYR B 2 130 ? 27.942 -1.247 42.656 1.00 19.97 ? 130 TYR B CE1 1 +ATOM 2069 C CE2 . TYR B 2 130 ? 28.984 -1.867 40.700 1.00 19.65 ? 130 TYR B CE2 1 +ATOM 2070 C CZ . TYR B 2 130 ? 28.982 -1.768 42.071 1.00 22.28 ? 130 TYR B CZ 1 +ATOM 2071 O OH . TYR B 2 130 ? 29.856 -2.624 42.725 1.00 21.52 ? 130 TYR B OH 1 +ATOM 2072 N N . GLN B 2 131 ? 23.022 1.228 38.763 1.00 12.03 ? 131 GLN B N 1 +ATOM 2073 C CA . GLN B 2 131 ? 21.778 1.837 38.789 1.00 12.03 ? 131 GLN B CA 1 +ATOM 2074 C C . GLN B 2 131 ? 20.577 1.009 39.031 1.00 12.76 ? 131 GLN B C 1 +ATOM 2075 O O . GLN B 2 131 ? 19.836 1.404 39.992 1.00 15.09 ? 131 GLN B O 1 +ATOM 2076 C CB . GLN B 2 131 ? 21.473 2.529 37.496 1.00 14.85 ? 131 GLN B CB 1 +ATOM 2077 C CG . GLN B 2 131 ? 22.463 3.744 37.342 1.00 19.57 ? 131 GLN B CG 1 +ATOM 2078 C CD . GLN B 2 131 ? 22.222 5.037 38.069 1.00 22.82 ? 131 GLN B CD 1 +ATOM 2079 O OE1 . GLN B 2 131 ? 23.080 5.884 37.743 1.00 18.44 ? 131 GLN B OE1 1 +ATOM 2080 N NE2 . GLN B 2 131 ? 21.302 5.379 38.758 1.00 16.43 ? 131 GLN B NE2 1 +ATOM 2081 N N . LYS B 2 132 ? 20.642 -0.209 38.501 1.00 12.50 ? 132 LYS B N 1 +ATOM 2082 C CA . LYS B 2 132 ? 19.628 -1.158 38.688 1.00 14.23 ? 132 LYS B CA 1 +ATOM 2083 C C . LYS B 2 132 ? 19.603 -1.526 40.213 1.00 17.46 ? 132 LYS B C 1 +ATOM 2084 O O . LYS B 2 132 ? 18.636 -1.554 41.008 1.00 14.87 ? 132 LYS B O 1 +ATOM 2085 C CB . LYS B 2 132 ? 19.703 -2.298 38.028 1.00 19.74 ? 132 LYS B CB 1 +ATOM 2086 C CG . LYS B 2 132 ? 19.268 -2.097 36.520 1.00 26.28 ? 132 LYS B CG 1 +ATOM 2087 C CD . LYS B 2 132 ? 19.459 -3.362 35.832 1.00 31.58 ? 132 LYS B CD 1 +ATOM 2088 C CE . LYS B 2 132 ? 19.150 -2.682 34.349 1.00 32.98 ? 132 LYS B CE 1 +ATOM 2089 N NZ . LYS B 2 132 ? 19.296 -4.500 33.885 1.00 37.48 ? 132 LYS B NZ 1 +ATOM 2090 N N . VAL B 2 133 ? 20.883 -1.767 40.854 1.00 17.22 ? 133 VAL B N 1 +ATOM 2091 C CA . VAL B 2 133 ? 21.078 -2.183 42.204 1.00 11.45 ? 133 VAL B CA 1 +ATOM 2092 C C . VAL B 2 133 ? 20.658 -1.126 43.188 1.00 11.90 ? 133 VAL B C 1 +ATOM 2093 O O . VAL B 2 133 ? 19.814 -1.391 44.165 1.00 13.71 ? 133 VAL B O 1 +ATOM 2094 C CB . VAL B 2 133 ? 22.473 -2.573 42.494 1.00 16.41 ? 133 VAL B CB 1 +ATOM 2095 C CG1 . VAL B 2 133 ? 22.695 -2.768 43.854 1.00 36.18 ? 133 VAL B CG1 1 +ATOM 2096 C CG2 . VAL B 2 133 ? 22.782 -3.857 41.663 1.00 15.51 ? 133 VAL B CG2 1 +ATOM 2097 N N . VAL B 2 134 ? 20.967 0.166 42.969 1.00 13.21 ? 134 VAL B N 1 +ATOM 2098 C CA . VAL B 2 134 ? 20.747 1.185 43.730 1.00 12.26 ? 134 VAL B CA 1 +ATOM 2099 C C . VAL B 2 134 ? 19.296 1.364 43.726 1.00 16.19 ? 134 VAL B C 1 +ATOM 2100 O O . VAL B 2 134 ? 18.548 1.822 44.782 1.00 17.40 ? 134 VAL B O 1 +ATOM 2101 C CB . VAL B 2 134 ? 21.244 2.575 43.789 1.00 11.96 ? 134 VAL B CB 1 +ATOM 2102 C CG1 . VAL B 2 134 ? 22.708 2.231 44.018 1.00 18.38 ? 134 VAL B CG1 1 +ATOM 2103 C CG2 . VAL B 2 134 ? 21.229 3.233 42.423 1.00 14.78 ? 134 VAL B CG2 1 +ATOM 2104 N N . ALA B 2 135 ? 18.529 1.389 42.550 1.00 13.32 ? 135 ALA B N 1 +ATOM 2105 C CA . ALA B 2 135 ? 17.087 1.483 42.500 1.00 21.37 ? 135 ALA B CA 1 +ATOM 2106 C C . ALA B 2 135 ? 16.385 0.390 43.301 1.00 17.09 ? 135 ALA B C 1 +ATOM 2107 O O . ALA B 2 135 ? 15.325 0.595 43.933 1.00 17.43 ? 135 ALA B O 1 +ATOM 2108 C CB . ALA B 2 135 ? 16.671 1.712 41.153 1.00 28.77 ? 135 ALA B CB 1 +ATOM 2109 N N . GLY B 2 136 ? 16.821 -0.845 43.230 1.00 18.26 ? 136 GLY B N 1 +ATOM 2110 C CA . GLY B 2 136 ? 16.294 -2.144 43.929 1.00 19.82 ? 136 GLY B CA 1 +ATOM 2111 C C . GLY B 2 136 ? 16.345 -1.871 45.356 1.00 16.67 ? 136 GLY B C 1 +ATOM 2112 O O . GLY B 2 136 ? 15.438 -2.166 46.045 1.00 15.34 ? 136 GLY B O 1 +ATOM 2113 N N . VAL B 2 137 ? 17.613 -1.453 45.878 1.00 19.06 ? 137 VAL B N 1 +ATOM 2114 C CA . VAL B 2 137 ? 17.706 -1.212 47.261 1.00 13.40 ? 137 VAL B CA 1 +ATOM 2115 C C . VAL B 2 137 ? 16.842 -0.110 47.730 1.00 14.98 ? 137 VAL B C 1 +ATOM 2116 O O . VAL B 2 137 ? 16.084 -0.308 48.760 1.00 15.32 ? 137 VAL B O 1 +ATOM 2117 C CB . VAL B 2 137 ? 19.208 -0.860 47.594 1.00 12.05 ? 137 VAL B CB 1 +ATOM 2118 C CG1 . VAL B 2 137 ? 19.242 -0.564 49.024 1.00 24.37 ? 137 VAL B CG1 1 +ATOM 2119 C CG2 . VAL B 2 137 ? 19.986 -2.076 47.196 1.00 11.44 ? 137 VAL B CG2 1 +ATOM 2120 N N . ALA B 2 138 ? 16.582 0.983 47.051 1.00 14.63 ? 138 ALA B N 1 +ATOM 2121 C CA . ALA B 2 138 ? 15.669 2.054 47.422 1.00 14.97 ? 138 ALA B CA 1 +ATOM 2122 C C . ALA B 2 138 ? 14.323 1.579 47.621 1.00 14.00 ? 138 ALA B C 1 +ATOM 2123 O O . ALA B 2 138 ? 13.443 1.860 48.406 1.00 15.18 ? 138 ALA B O 1 +ATOM 2124 C CB . ALA B 2 138 ? 15.791 3.182 46.492 1.00 21.60 ? 138 ALA B CB 1 +ATOM 2125 N N . ASN B 2 139 ? 13.929 0.927 46.472 1.00 14.76 ? 139 ASN B N 1 +ATOM 2126 C CA . ASN B 2 139 ? 12.524 0.326 46.511 1.00 19.56 ? 139 ASN B CA 1 +ATOM 2127 C C . ASN B 2 139 ? 12.207 -0.857 47.450 1.00 16.64 ? 139 ASN B C 1 +ATOM 2128 O O . ASN B 2 139 ? 11.238 -0.716 48.124 1.00 15.66 ? 139 ASN B O 1 +ATOM 2129 C CB . ASN B 2 139 ? 12.246 -0.607 45.179 1.00 32.30 ? 139 ASN B CB 1 +ATOM 2130 C CG . ASN B 2 139 ? 12.022 -0.138 44.774 1.00 58.46 ? 139 ASN B CG 1 +ATOM 2131 O OD1 . ASN B 2 139 ? 11.927 1.326 44.175 1.00 49.38 ? 139 ASN B OD1 1 +ATOM 2132 N ND2 . ASN B 2 139 ? 12.448 0.081 42.819 1.00 59.02 ? 139 ASN B ND2 1 +ATOM 2133 N N . ALA B 2 140 ? 13.329 -1.535 47.917 1.00 12.53 ? 140 ALA B N 1 +ATOM 2134 C CA . ALA B 2 140 ? 13.134 -2.493 48.899 1.00 19.39 ? 140 ALA B CA 1 +ATOM 2135 C C . ALA B 2 140 ? 13.131 -1.747 50.190 1.00 15.37 ? 140 ALA B C 1 +ATOM 2136 O O . ALA B 2 140 ? 12.315 -2.151 51.168 1.00 15.92 ? 140 ALA B O 1 +ATOM 2137 C CB . ALA B 2 140 ? 14.408 -3.543 48.977 1.00 22.20 ? 140 ALA B CB 1 +ATOM 2138 N N . LEU B 2 141 ? 13.770 -0.735 50.537 1.00 12.47 ? 141 LEU B N 1 +ATOM 2139 C CA . LEU B 2 141 ? 13.729 0.097 51.695 1.00 15.63 ? 141 LEU B CA 1 +ATOM 2140 C C . LEU B 2 141 ? 12.380 0.588 51.872 1.00 21.66 ? 141 LEU B C 1 +ATOM 2141 O O . LEU B 2 141 ? 11.950 1.162 52.919 1.00 17.40 ? 141 LEU B O 1 +ATOM 2142 C CB . LEU B 2 141 ? 14.921 0.942 51.906 1.00 15.12 ? 141 LEU B CB 1 +ATOM 2143 C CG . LEU B 2 141 ? 16.109 0.356 52.467 1.00 17.02 ? 141 LEU B CG 1 +ATOM 2144 C CD1 . LEU B 2 141 ? 17.216 1.388 52.514 1.00 19.94 ? 141 LEU B CD1 1 +ATOM 2145 C CD2 . LEU B 2 141 ? 16.088 -0.046 53.879 1.00 21.74 ? 141 LEU B CD2 1 +ATOM 2146 N N . ALA B 2 142 ? 11.734 1.042 50.715 1.00 12.86 ? 142 ALA B N 1 +ATOM 2147 C CA . ALA B 2 142 ? 10.616 1.841 50.701 1.00 14.61 ? 142 ALA B CA 1 +ATOM 2148 C C . ALA B 2 142 ? 9.219 0.685 50.868 1.00 20.31 ? 142 ALA B C 1 +ATOM 2149 O O . ALA B 2 142 ? 8.120 1.456 51.083 1.00 18.06 ? 142 ALA B O 1 +ATOM 2150 C CB . ALA B 2 142 ? 10.361 2.736 49.492 1.00 21.40 ? 142 ALA B CB 1 +ATOM 2151 N N . HIS B 2 143 ? 9.474 -0.423 50.699 1.00 17.95 ? 143 HIS B N 1 +ATOM 2152 C CA . HIS B 2 143 ? 8.444 -1.540 50.352 1.00 26.37 ? 143 HIS B CA 1 +ATOM 2153 C C . HIS B 2 143 ? 7.295 -1.440 51.687 1.00 19.76 ? 143 HIS B C 1 +ATOM 2154 O O . HIS B 2 143 ? 6.112 -1.718 51.417 1.00 21.59 ? 143 HIS B O 1 +ATOM 2155 C CB . HIS B 2 143 ? 8.998 -2.781 50.250 1.00 35.96 ? 143 HIS B CB 1 +ATOM 2156 C CG . HIS B 2 143 ? 7.765 -3.902 49.751 1.00 57.59 ? 143 HIS B CG 1 +ATOM 2157 N ND1 . HIS B 2 143 ? 8.002 -4.786 51.186 1.00 48.44 ? 143 HIS B ND1 1 +ATOM 2158 C CD2 . HIS B 2 143 ? 7.156 -3.540 48.815 1.00 54.87 ? 143 HIS B CD2 1 +ATOM 2159 C CE1 . HIS B 2 143 ? 6.759 -5.456 49.788 1.00 74.03 ? 143 HIS B CE1 1 +ATOM 2160 N NE2 . HIS B 2 143 ? 6.180 -4.518 48.682 1.00 57.99 ? 143 HIS B NE2 1 +ATOM 2161 N N . LYS B 2 144 ? 7.795 -1.252 52.873 1.00 18.69 ? 144 LYS B N 1 +ATOM 2162 C CA . LYS B 2 144 ? 6.882 -1.448 53.988 1.00 14.86 ? 144 LYS B CA 1 +ATOM 2163 C C . LYS B 2 144 ? 6.429 -0.210 54.295 1.00 16.55 ? 144 LYS B C 1 +ATOM 2164 O O . LYS B 2 144 ? 5.773 -0.087 55.489 1.00 18.03 ? 144 LYS B O 1 +ATOM 2165 C CB . LYS B 2 144 ? 7.761 -2.127 55.021 1.00 17.13 ? 144 LYS B CB 1 +ATOM 2166 C CG . LYS B 2 144 ? 7.912 -3.743 54.642 1.00 20.99 ? 144 LYS B CG 1 +ATOM 2167 C CD . LYS B 2 144 ? 6.927 -4.649 54.980 1.00 34.56 ? 144 LYS B CD 1 +ATOM 2168 C CE . LYS B 2 144 ? 5.890 -6.268 55.554 1.00 62.41 ? 144 LYS B CE 1 +ATOM 2169 N NZ . LYS B 2 144 ? 6.963 -6.953 57.087 1.00 62.40 ? 144 LYS B NZ 1 +ATOM 2170 N N . TYR B 2 145 ? 6.580 0.942 53.895 1.00 19.33 ? 145 TYR B N 1 +ATOM 2171 C CA . TYR B 2 145 ? 6.088 2.279 54.004 1.00 25.80 ? 145 TYR B CA 1 +ATOM 2172 C C . TYR B 2 145 ? 4.352 2.273 54.218 1.00 37.10 ? 145 TYR B C 1 +ATOM 2173 O O . TYR B 2 145 ? 4.002 1.435 53.221 1.00 25.59 ? 145 TYR B O 1 +ATOM 2174 C CB . TYR B 2 145 ? 6.540 3.388 53.530 1.00 20.19 ? 145 TYR B CB 1 +ATOM 2175 C CG . TYR B 2 145 ? 7.984 4.002 53.941 1.00 16.11 ? 145 TYR B CG 1 +ATOM 2176 C CD1 . TYR B 2 145 ? 8.011 5.228 54.513 1.00 13.84 ? 145 TYR B CD1 1 +ATOM 2177 C CD2 . TYR B 2 145 ? 8.900 2.987 53.861 1.00 19.35 ? 145 TYR B CD2 1 +ATOM 2178 C CE1 . TYR B 2 145 ? 9.122 5.680 54.975 1.00 14.00 ? 145 TYR B CE1 1 +ATOM 2179 C CE2 . TYR B 2 145 ? 10.301 3.462 54.525 1.00 16.15 ? 145 TYR B CE2 1 +ATOM 2180 C CZ . TYR B 2 145 ? 10.429 4.819 55.044 1.00 11.23 ? 145 TYR B CZ 1 +ATOM 2181 O OH . TYR B 2 145 ? 11.654 5.281 55.305 1.00 11.07 ? 145 TYR B OH 1 +ATOM 2182 N N . HIS B 2 146 ? 3.837 2.750 54.887 1.00 22.40 ? 146 HIS B N 1 +ATOM 2183 C CA . HIS B 2 146 ? 2.231 2.924 55.194 1.00 24.36 ? 146 HIS B CA 1 +ATOM 2184 C C . HIS B 2 146 ? 1.887 4.073 55.859 1.00 19.29 ? 146 HIS B C 1 +ATOM 2185 O O . HIS B 2 146 ? 2.796 4.816 56.420 1.00 20.20 ? 146 HIS B O 1 +ATOM 2186 C CB . HIS B 2 146 ? 1.811 1.603 55.768 1.00 17.91 ? 146 HIS B CB 1 +ATOM 2187 C CG . HIS B 2 146 ? 1.964 2.037 57.761 1.00 30.29 ? 146 HIS B CG 1 +ATOM 2188 N ND1 . HIS B 2 146 ? 1.691 1.180 58.151 1.00 56.02 ? 146 HIS B ND1 1 +ATOM 2189 C CD2 . HIS B 2 146 ? 3.500 1.506 57.819 1.00 32.02 ? 146 HIS B CD2 1 +ATOM 2190 C CE1 . HIS B 2 146 ? 2.501 0.959 59.788 1.00 45.40 ? 146 HIS B CE1 1 +ATOM 2191 N NE2 . HIS B 2 146 ? 3.352 1.790 59.196 1.00 35.25 ? 146 HIS B NE2 1 +ATOM 2192 O OXT . HIS B 2 146 ? 0.693 4.385 55.848 1.00 28.98 ? 146 HIS B OXT 1 +ATOM 2193 N N . VAL C 1 1 ? 5.540 29.983 34.085 1.00 53.78 ? 1 VAL C N 1 +ATOM 2194 C CA . VAL C 1 1 ? 5.845 32.286 33.885 1.00 39.83 ? 1 VAL C CA 1 +ATOM 2195 C C . VAL C 1 1 ? 4.073 32.400 33.434 1.00 29.73 ? 1 VAL C C 1 +ATOM 2196 O O . VAL C 1 1 ? 3.314 31.736 32.624 1.00 31.20 ? 1 VAL C O 1 +ATOM 2197 C CB . VAL C 1 1 ? 6.279 31.688 32.877 1.00 52.94 ? 1 VAL C CB 1 +ATOM 2198 C CG1 . VAL C 1 1 ? 5.941 33.809 32.322 1.00 47.73 ? 1 VAL C CG1 1 +ATOM 2199 C CG2 . VAL C 1 1 ? 7.884 33.561 33.163 1.00 67.01 ? 1 VAL C CG2 1 +ATOM 2200 N N . LEU C 1 2 ? 3.466 33.064 34.360 1.00 33.50 ? 2 LEU C N 1 +ATOM 2201 C CA . LEU C 1 2 ? 2.119 33.120 34.564 1.00 35.54 ? 2 LEU C CA 1 +ATOM 2202 C C . LEU C 1 2 ? 1.461 34.272 33.361 1.00 25.83 ? 2 LEU C C 1 +ATOM 2203 O O . LEU C 1 2 ? 2.042 35.373 33.863 1.00 37.30 ? 2 LEU C O 1 +ATOM 2204 C CB . LEU C 1 2 ? 1.762 33.547 35.812 1.00 38.49 ? 2 LEU C CB 1 +ATOM 2205 C CG . LEU C 1 2 ? 1.567 32.274 36.861 1.00 34.89 ? 2 LEU C CG 1 +ATOM 2206 C CD1 . LEU C 1 2 ? 1.497 32.614 38.058 1.00 40.00 ? 2 LEU C CD1 1 +ATOM 2207 C CD2 . LEU C 1 2 ? 1.175 31.161 36.473 1.00 36.30 ? 2 LEU C CD2 1 +ATOM 2208 N N . SER C 1 3 ? 0.885 33.930 32.371 1.00 20.82 ? 3 SER C N 1 +ATOM 2209 C CA . SER C 1 3 ? 0.274 34.937 31.507 1.00 16.99 ? 3 SER C CA 1 +ATOM 2210 C C . SER C 1 3 ? -0.660 35.703 32.287 1.00 19.86 ? 3 SER C C 1 +ATOM 2211 O O . SER C 1 3 ? -1.379 35.373 33.257 1.00 23.30 ? 3 SER C O 1 +ATOM 2212 C CB . SER C 1 3 ? -0.065 34.183 30.371 1.00 21.69 ? 3 SER C CB 1 +ATOM 2213 O OG . SER C 1 3 ? -1.298 33.584 30.548 1.00 24.96 ? 3 SER C OG 1 +ATOM 2214 N N . PRO C 1 4 ? -1.281 36.868 31.684 1.00 27.73 ? 4 PRO C N 1 +ATOM 2215 C CA . PRO C 1 4 ? -2.231 37.566 32.130 1.00 18.30 ? 4 PRO C CA 1 +ATOM 2216 C C . PRO C 1 4 ? -3.635 36.714 32.222 1.00 21.79 ? 4 PRO C C 1 +ATOM 2217 O O . PRO C 1 4 ? -4.300 36.837 33.171 1.00 30.78 ? 4 PRO C O 1 +ATOM 2218 C CB . PRO C 1 4 ? -2.428 38.831 31.107 1.00 35.17 ? 4 PRO C CB 1 +ATOM 2219 C CG . PRO C 1 4 ? -0.947 38.937 30.529 1.00 39.10 ? 4 PRO C CG 1 +ATOM 2220 C CD . PRO C 1 4 ? -0.364 37.496 30.672 1.00 33.69 ? 4 PRO C CD 1 +ATOM 2221 N N . ALA C 1 5 ? -3.565 35.986 31.246 1.00 20.53 ? 5 ALA C N 1 +ATOM 2222 C CA . ALA C 1 5 ? -4.728 35.027 31.236 1.00 15.17 ? 5 ALA C CA 1 +ATOM 2223 C C . ALA C 1 5 ? -4.768 34.125 32.631 1.00 17.36 ? 5 ALA C C 1 +ATOM 2224 O O . ALA C 1 5 ? -5.719 33.702 33.140 1.00 18.86 ? 5 ALA C O 1 +ATOM 2225 C CB . ALA C 1 5 ? -5.084 34.190 30.055 1.00 14.70 ? 5 ALA C CB 1 +ATOM 2226 N N . ASP C 1 6 ? -3.589 33.505 32.635 1.00 17.28 ? 6 ASP C N 1 +ATOM 2227 C CA . ASP C 1 6 ? -3.344 32.617 33.787 1.00 13.65 ? 6 ASP C CA 1 +ATOM 2228 C C . ASP C 1 6 ? -3.813 33.321 35.084 1.00 16.19 ? 6 ASP C C 1 +ATOM 2229 O O . ASP C 1 6 ? -4.369 32.669 36.015 1.00 18.77 ? 6 ASP C O 1 +ATOM 2230 C CB . ASP C 1 6 ? -1.888 32.151 33.930 1.00 14.90 ? 6 ASP C CB 1 +ATOM 2231 C CG . ASP C 1 6 ? -1.558 31.130 32.826 1.00 15.46 ? 6 ASP C CG 1 +ATOM 2232 O OD1 . ASP C 1 6 ? -2.478 30.188 32.398 1.00 20.59 ? 6 ASP C OD1 1 +ATOM 2233 O OD2 . ASP C 1 6 ? -0.384 31.136 32.528 1.00 19.80 ? 6 ASP C OD2 1 +ATOM 2234 N N . LYS C 1 7 ? -3.272 34.523 35.173 1.00 17.95 ? 7 LYS C N 1 +ATOM 2235 C CA . LYS C 1 7 ? -3.751 35.483 36.555 1.00 25.53 ? 7 LYS C CA 1 +ATOM 2236 C C . LYS C 1 7 ? -4.881 35.555 36.905 1.00 19.12 ? 7 LYS C C 1 +ATOM 2237 O O . LYS C 1 7 ? -5.554 35.358 37.811 1.00 19.71 ? 7 LYS C O 1 +ATOM 2238 C CB . LYS C 1 7 ? -2.782 36.578 36.490 1.00 27.50 ? 7 LYS C CB 1 +ATOM 2239 C CG . LYS C 1 7 ? -1.409 36.284 36.193 1.00 53.71 ? 7 LYS C CG 1 +ATOM 2240 C CD . LYS C 1 7 ? -0.226 37.637 36.941 1.00 60.72 ? 7 LYS C CD 1 +ATOM 2241 C CE . LYS C 1 7 ? 0.556 37.739 36.022 1.00 63.74 ? 7 LYS C CE 1 +ATOM 2242 N NZ . LYS C 1 7 ? 1.514 38.295 35.577 1.00 80.12 ? 7 LYS C NZ 1 +ATOM 2243 N N . THR C 1 8 ? -5.600 35.904 35.627 1.00 18.59 ? 8 THR C N 1 +ATOM 2244 C CA . THR C 1 8 ? -7.111 35.935 35.708 1.00 17.68 ? 8 THR C CA 1 +ATOM 2245 C C . THR C 1 8 ? -7.830 34.912 36.149 1.00 15.92 ? 8 THR C C 1 +ATOM 2246 O O . THR C 1 8 ? -8.746 34.904 36.940 1.00 18.11 ? 8 THR C O 1 +ATOM 2247 C CB . THR C 1 8 ? -7.671 36.597 34.086 1.00 18.41 ? 8 THR C CB 1 +ATOM 2248 O OG1 . THR C 1 8 ? -7.057 37.816 34.129 1.00 22.00 ? 8 THR C OG1 1 +ATOM 2249 C CG2 . THR C 1 8 ? -8.957 36.916 34.252 1.00 19.72 ? 8 THR C CG2 1 +ATOM 2250 N N . ASN C 1 9 ? -7.429 33.704 35.553 1.00 14.52 ? 9 ASN C N 1 +ATOM 2251 C CA . ASN C 1 9 ? -7.931 32.304 35.865 1.00 11.76 ? 9 ASN C CA 1 +ATOM 2252 C C . ASN C 1 9 ? -7.759 31.911 37.241 1.00 13.43 ? 9 ASN C C 1 +ATOM 2253 O O . ASN C 1 9 ? -8.726 31.508 37.930 1.00 14.77 ? 9 ASN C O 1 +ATOM 2254 C CB . ASN C 1 9 ? -7.425 31.238 34.829 1.00 15.52 ? 9 ASN C CB 1 +ATOM 2255 C CG . ASN C 1 9 ? -8.078 31.135 33.453 1.00 21.23 ? 9 ASN C CG 1 +ATOM 2256 O OD1 . ASN C 1 9 ? -9.036 31.839 33.320 1.00 17.78 ? 9 ASN C OD1 1 +ATOM 2257 N ND2 . ASN C 1 9 ? -7.321 30.799 32.610 1.00 16.93 ? 9 ASN C ND2 1 +ATOM 2258 N N . VAL C 1 10 ? -6.600 32.228 37.664 1.00 15.37 ? 10 VAL C N 1 +ATOM 2259 C CA . VAL C 1 10 ? -6.328 31.915 39.012 1.00 15.09 ? 10 VAL C CA 1 +ATOM 2260 C C . VAL C 1 10 ? -7.145 32.895 40.299 1.00 19.82 ? 10 VAL C C 1 +ATOM 2261 O O . VAL C 1 10 ? -7.619 32.223 41.099 1.00 21.55 ? 10 VAL C O 1 +ATOM 2262 C CB . VAL C 1 10 ? -4.831 32.028 39.355 1.00 23.83 ? 10 VAL C CB 1 +ATOM 2263 C CG1 . VAL C 1 10 ? -4.386 31.675 40.908 1.00 26.38 ? 10 VAL C CG1 1 +ATOM 2264 C CG2 . VAL C 1 10 ? -4.096 30.933 38.607 1.00 22.96 ? 10 VAL C CG2 1 +ATOM 2265 N N . LYS C 1 11 ? -7.146 34.124 39.921 1.00 19.06 ? 11 LYS C N 1 +ATOM 2266 C CA . LYS C 1 11 ? -8.100 34.998 40.673 1.00 21.27 ? 11 LYS C CA 1 +ATOM 2267 C C . LYS C 1 11 ? -9.313 34.765 40.704 1.00 24.36 ? 11 LYS C C 1 +ATOM 2268 O O . LYS C 1 11 ? -10.096 34.565 41.636 1.00 26.88 ? 11 LYS C O 1 +ATOM 2269 C CB . LYS C 1 11 ? -7.549 36.329 40.437 1.00 24.11 ? 11 LYS C CB 1 +ATOM 2270 C CG . LYS C 1 11 ? -6.216 36.879 40.591 1.00 39.96 ? 11 LYS C CG 1 +ATOM 2271 C CD . LYS C 1 11 ? -6.192 38.396 40.319 1.00 36.60 ? 11 LYS C CD 1 +ATOM 2272 C CE . LYS C 1 11 ? -5.013 38.953 40.465 1.00 40.99 ? 11 LYS C CE 1 +ATOM 2273 N NZ . LYS C 1 11 ? -4.163 39.646 38.897 1.00 57.68 ? 11 LYS C NZ 1 +ATOM 2274 N N . ALA C 1 12 ? -9.820 34.358 39.473 1.00 26.89 ? 12 ALA C N 1 +ATOM 2275 C CA . ALA C 1 12 ? -11.033 33.860 39.531 1.00 22.80 ? 12 ALA C CA 1 +ATOM 2276 C C . ALA C 1 12 ? -11.669 32.905 40.303 1.00 22.96 ? 12 ALA C C 1 +ATOM 2277 O O . ALA C 1 12 ? -12.618 32.557 41.227 1.00 25.17 ? 12 ALA C O 1 +ATOM 2278 C CB . ALA C 1 12 ? -11.715 33.630 38.320 1.00 30.68 ? 12 ALA C CB 1 +ATOM 2279 N N . ALA C 1 13 ? -10.866 31.601 40.085 1.00 19.81 ? 13 ALA C N 1 +ATOM 2280 C CA . ALA C 1 13 ? -10.918 30.303 40.760 1.00 20.52 ? 13 ALA C CA 1 +ATOM 2281 C C . ALA C 1 13 ? -10.841 30.520 42.190 1.00 17.10 ? 13 ALA C C 1 +ATOM 2282 O O . ALA C 1 13 ? -11.728 29.997 43.038 1.00 22.70 ? 13 ALA C O 1 +ATOM 2283 C CB . ALA C 1 13 ? -10.079 29.298 40.142 1.00 20.00 ? 13 ALA C CB 1 +ATOM 2284 N N . TRP C 1 14 ? -9.726 31.117 42.725 1.00 18.93 ? 14 TRP C N 1 +ATOM 2285 C CA . TRP C 1 14 ? -9.418 31.151 44.177 1.00 19.61 ? 14 TRP C CA 1 +ATOM 2286 C C . TRP C 1 14 ? -10.387 32.105 44.718 1.00 29.50 ? 14 TRP C C 1 +ATOM 2287 O O . TRP C 1 14 ? -11.065 31.943 45.914 1.00 22.89 ? 14 TRP C O 1 +ATOM 2288 C CB . TRP C 1 14 ? -8.169 31.928 44.377 1.00 20.94 ? 14 TRP C CB 1 +ATOM 2289 C CG . TRP C 1 14 ? -7.649 31.375 45.621 1.00 20.44 ? 14 TRP C CG 1 +ATOM 2290 C CD1 . TRP C 1 14 ? -7.709 32.443 46.772 1.00 25.06 ? 14 TRP C CD1 1 +ATOM 2291 C CD2 . TRP C 1 14 ? -7.161 30.069 45.988 1.00 19.23 ? 14 TRP C CD2 1 +ATOM 2292 N NE1 . TRP C 1 14 ? -7.038 31.497 47.684 1.00 26.03 ? 14 TRP C NE1 1 +ATOM 2293 C CE2 . TRP C 1 14 ? -6.842 30.284 47.514 1.00 27.20 ? 14 TRP C CE2 1 +ATOM 2294 C CE3 . TRP C 1 14 ? -7.086 29.017 45.404 1.00 24.26 ? 14 TRP C CE3 1 +ATOM 2295 C CZ2 . TRP C 1 14 ? -6.557 29.128 48.102 1.00 29.42 ? 14 TRP C CZ2 1 +ATOM 2296 C CZ3 . TRP C 1 14 ? -6.673 27.709 45.944 1.00 27.47 ? 14 TRP C CZ3 1 +ATOM 2297 C CH2 . TRP C 1 14 ? -6.477 28.031 47.627 1.00 31.11 ? 14 TRP C CH2 1 +ATOM 2298 N N . GLY C 1 15 ? -11.067 33.012 44.312 1.00 39.26 ? 15 GLY C N 1 +ATOM 2299 C CA . GLY C 1 15 ? -12.200 33.991 44.321 1.00 27.60 ? 15 GLY C CA 1 +ATOM 2300 C C . GLY C 1 15 ? -13.348 33.145 44.695 1.00 35.88 ? 15 GLY C C 1 +ATOM 2301 O O . GLY C 1 15 ? -13.899 33.251 46.165 1.00 44.35 ? 15 GLY C O 1 +ATOM 2302 N N . LYS C 1 16 ? -13.796 32.301 44.169 1.00 34.61 ? 16 LYS C N 1 +ATOM 2303 C CA . LYS C 1 16 ? -14.921 31.376 43.828 1.00 36.98 ? 16 LYS C CA 1 +ATOM 2304 C C . LYS C 1 16 ? -14.668 30.334 45.295 1.00 26.09 ? 16 LYS C C 1 +ATOM 2305 O O . LYS C 1 16 ? -15.530 29.816 46.013 1.00 33.01 ? 16 LYS C O 1 +ATOM 2306 C CB . LYS C 1 16 ? -15.493 30.617 42.732 1.00 27.30 ? 16 LYS C CB 1 +ATOM 2307 C CG . LYS C 1 16 ? -17.229 31.274 42.187 1.00 50.84 ? 16 LYS C CG 1 +ATOM 2308 C CD . LYS C 1 16 ? -17.588 29.602 42.783 1.00 68.28 ? 16 LYS C CD 1 +ATOM 2309 C CE . LYS C 1 16 ? -19.795 29.751 43.035 1.00 73.16 ? 16 LYS C CE 1 +ATOM 2310 N NZ . LYS C 1 16 ? -19.621 28.381 44.042 1.00 69.52 ? 16 LYS C NZ 1 +ATOM 2311 N N . VAL C 1 17 ? -13.345 30.285 45.759 1.00 35.88 ? 17 VAL C N 1 +ATOM 2312 C CA . VAL C 1 17 ? -12.923 29.473 46.874 1.00 27.62 ? 17 VAL C CA 1 +ATOM 2313 C C . VAL C 1 17 ? -13.619 30.083 47.919 1.00 30.67 ? 17 VAL C C 1 +ATOM 2314 O O . VAL C 1 17 ? -14.308 29.630 49.026 1.00 29.27 ? 17 VAL C O 1 +ATOM 2315 C CB . VAL C 1 17 ? -11.403 28.794 46.973 1.00 24.84 ? 17 VAL C CB 1 +ATOM 2316 C CG1 . VAL C 1 17 ? -11.134 28.602 48.246 1.00 24.66 ? 17 VAL C CG1 1 +ATOM 2317 C CG2 . VAL C 1 17 ? -11.269 27.706 45.733 1.00 36.95 ? 17 VAL C CG2 1 +ATOM 2318 N N . GLY C 1 18 ? -12.886 31.393 48.035 1.00 37.42 ? 18 GLY C N 1 +ATOM 2319 C CA . GLY C 1 18 ? -13.566 32.147 49.231 1.00 36.79 ? 18 GLY C CA 1 +ATOM 2320 C C . GLY C 1 18 ? -13.170 31.930 50.514 1.00 35.54 ? 18 GLY C C 1 +ATOM 2321 O O . GLY C 1 18 ? -12.001 31.272 50.982 1.00 34.05 ? 18 GLY C O 1 +ATOM 2322 N N . ALA C 1 19 ? -14.429 31.877 51.106 1.00 30.07 ? 19 ALA C N 1 +ATOM 2323 C CA . ALA C 1 19 ? -14.214 31.564 52.388 1.00 42.34 ? 19 ALA C CA 1 +ATOM 2324 C C . ALA C 1 19 ? -14.168 30.165 52.791 1.00 38.75 ? 19 ALA C C 1 +ATOM 2325 O O . ALA C 1 19 ? -13.768 29.539 54.021 1.00 34.11 ? 19 ALA C O 1 +ATOM 2326 C CB . ALA C 1 19 ? -15.311 32.082 53.094 1.00 49.98 ? 19 ALA C CB 1 +ATOM 2327 N N . HIS C 1 20 ? -14.286 29.085 51.940 1.00 27.23 ? 20 HIS C N 1 +ATOM 2328 C CA . HIS C 1 20 ? -14.083 27.577 52.200 1.00 31.96 ? 20 HIS C CA 1 +ATOM 2329 C C . HIS C 1 20 ? -12.499 27.269 52.098 1.00 24.34 ? 20 HIS C C 1 +ATOM 2330 O O . HIS C 1 20 ? -12.227 26.000 52.209 1.00 23.07 ? 20 HIS C O 1 +ATOM 2331 C CB . HIS C 1 20 ? -14.624 26.932 51.107 1.00 47.99 ? 20 HIS C CB 1 +ATOM 2332 C CG . HIS C 1 20 ? -16.284 27.113 50.754 1.00 49.70 ? 20 HIS C CG 1 +ATOM 2333 N ND1 . HIS C 1 20 ? -16.816 26.491 52.180 1.00 46.00 ? 20 HIS C ND1 1 +ATOM 2334 C CD2 . HIS C 1 20 ? -16.967 28.106 50.273 1.00 46.72 ? 20 HIS C CD2 1 +ATOM 2335 C CE1 . HIS C 1 20 ? -18.391 27.294 51.929 1.00 49.28 ? 20 HIS C CE1 1 +ATOM 2336 N NE2 . HIS C 1 20 ? -18.093 27.951 50.536 1.00 51.94 ? 20 HIS C NE2 1 +ATOM 2337 N N . ALA C 1 21 ? -11.683 28.217 51.671 1.00 28.71 ? 21 ALA C N 1 +ATOM 2338 C CA . ALA C 1 21 ? -10.191 27.959 51.518 1.00 32.59 ? 21 ALA C CA 1 +ATOM 2339 C C . ALA C 1 21 ? -9.535 27.165 52.686 1.00 33.22 ? 21 ALA C C 1 +ATOM 2340 O O . ALA C 1 21 ? -9.040 26.045 52.231 1.00 25.05 ? 21 ALA C O 1 +ATOM 2341 C CB . ALA C 1 21 ? -9.677 29.391 51.272 1.00 28.99 ? 21 ALA C CB 1 +ATOM 2342 N N . GLY C 1 22 ? -9.737 27.260 53.831 1.00 30.50 ? 22 GLY C N 1 +ATOM 2343 C CA . GLY C 1 22 ? -9.401 26.437 54.901 1.00 25.20 ? 22 GLY C CA 1 +ATOM 2344 C C . GLY C 1 22 ? -9.918 25.352 54.898 1.00 28.87 ? 22 GLY C C 1 +ATOM 2345 O O . GLY C 1 22 ? -9.221 24.169 55.031 1.00 21.09 ? 22 GLY C O 1 +ATOM 2346 N N . GLU C 1 23 ? -11.189 24.753 54.705 1.00 19.95 ? 23 GLU C N 1 +ATOM 2347 C CA . GLU C 1 23 ? -11.784 23.593 54.641 1.00 21.38 ? 23 GLU C CA 1 +ATOM 2348 C C . GLU C 1 23 ? -11.015 22.700 53.407 1.00 15.02 ? 23 GLU C C 1 +ATOM 2349 O O . GLU C 1 23 ? -10.842 21.432 53.518 1.00 16.54 ? 23 GLU C O 1 +ATOM 2350 C CB . GLU C 1 23 ? -13.361 23.641 54.229 1.00 29.82 ? 23 GLU C CB 1 +ATOM 2351 C CG . GLU C 1 23 ? -13.962 22.385 54.659 1.00 36.93 ? 23 GLU C CG 1 +ATOM 2352 C CD . GLU C 1 23 ? -15.965 23.172 54.601 1.00 80.12 ? 23 GLU C CD 1 +ATOM 2353 O OE1 . GLU C 1 23 ? -15.865 21.949 52.569 1.00 66.02 ? 23 GLU C OE1 1 +ATOM 2354 O OE2 . GLU C 1 23 ? -15.635 23.864 54.184 1.00 59.79 ? 23 GLU C OE2 1 +ATOM 2355 N N . TYR C 1 24 ? -10.983 23.452 52.311 1.00 21.28 ? 24 TYR C N 1 +ATOM 2356 C CA . TYR C 1 24 ? -10.338 22.880 51.194 1.00 19.46 ? 24 TYR C CA 1 +ATOM 2357 C C . TYR C 1 24 ? -8.826 22.313 51.411 1.00 15.33 ? 24 TYR C C 1 +ATOM 2358 O O . TYR C 1 24 ? -8.279 21.460 50.939 1.00 13.77 ? 24 TYR C O 1 +ATOM 2359 C CB . TYR C 1 24 ? -10.529 23.603 49.963 1.00 16.14 ? 24 TYR C CB 1 +ATOM 2360 C CG . TYR C 1 24 ? -11.962 23.899 49.423 1.00 13.71 ? 24 TYR C CG 1 +ATOM 2361 C CD1 . TYR C 1 24 ? -11.977 24.808 48.190 1.00 24.76 ? 24 TYR C CD1 1 +ATOM 2362 C CD2 . TYR C 1 24 ? -12.971 23.201 50.098 1.00 21.84 ? 24 TYR C CD2 1 +ATOM 2363 C CE1 . TYR C 1 24 ? -13.434 25.120 48.002 1.00 25.66 ? 24 TYR C CE1 1 +ATOM 2364 C CE2 . TYR C 1 24 ? -14.423 23.495 49.620 1.00 17.49 ? 24 TYR C CE2 1 +ATOM 2365 C CZ . TYR C 1 24 ? -14.222 24.322 48.539 1.00 27.32 ? 24 TYR C CZ 1 +ATOM 2366 O OH . TYR C 1 24 ? -15.683 24.715 48.218 1.00 31.23 ? 24 TYR C OH 1 +ATOM 2367 N N . GLY C 1 25 ? -8.074 23.227 52.066 1.00 18.29 ? 25 GLY C N 1 +ATOM 2368 C CA . GLY C 1 25 ? -6.804 23.029 52.426 1.00 15.33 ? 25 GLY C CA 1 +ATOM 2369 C C . GLY C 1 25 ? -6.699 21.965 53.360 1.00 12.64 ? 25 GLY C C 1 +ATOM 2370 O O . GLY C 1 25 ? -5.806 20.821 53.132 1.00 15.23 ? 25 GLY C O 1 +ATOM 2371 N N . ALA C 1 26 ? -7.463 21.493 54.359 1.00 16.00 ? 26 ALA C N 1 +ATOM 2372 C CA . ALA C 1 26 ? -7.534 20.341 55.113 1.00 11.42 ? 26 ALA C CA 1 +ATOM 2373 C C . ALA C 1 26 ? -7.619 19.067 54.311 1.00 10.94 ? 26 ALA C C 1 +ATOM 2374 O O . ALA C 1 26 ? -7.206 18.031 54.381 1.00 13.65 ? 26 ALA C O 1 +ATOM 2375 C CB . ALA C 1 26 ? -8.500 20.452 56.364 1.00 11.99 ? 26 ALA C CB 1 +ATOM 2376 N N . GLU C 1 27 ? -8.783 19.226 53.331 1.00 12.87 ? 27 GLU C N 1 +ATOM 2377 C CA . GLU C 1 27 ? -9.244 17.976 52.576 1.00 15.51 ? 27 GLU C CA 1 +ATOM 2378 C C . GLU C 1 27 ? -8.096 17.706 51.661 1.00 12.84 ? 27 GLU C C 1 +ATOM 2379 O O . GLU C 1 27 ? -7.734 16.473 51.484 1.00 15.95 ? 27 GLU C O 1 +ATOM 2380 C CB . GLU C 1 27 ? -10.316 18.457 51.593 1.00 15.50 ? 27 GLU C CB 1 +ATOM 2381 C CG . GLU C 1 27 ? -10.758 17.303 50.863 1.00 17.08 ? 27 GLU C CG 1 +ATOM 2382 C CD . GLU C 1 27 ? -12.022 17.548 50.026 1.00 30.48 ? 27 GLU C CD 1 +ATOM 2383 O OE1 . GLU C 1 27 ? -12.072 17.252 48.763 1.00 18.71 ? 27 GLU C OE1 1 +ATOM 2384 O OE2 . GLU C 1 27 ? -12.898 18.441 50.458 1.00 24.16 ? 27 GLU C OE2 1 +ATOM 2385 N N . ALA C 1 28 ? -7.324 18.786 51.063 1.00 11.36 ? 28 ALA C N 1 +ATOM 2386 C CA . ALA C 1 28 ? -6.088 18.408 50.170 1.00 9.58 ? 28 ALA C CA 1 +ATOM 2387 C C . ALA C 1 28 ? -5.039 17.570 51.002 1.00 9.29 ? 28 ALA C C 1 +ATOM 2388 O O . ALA C 1 28 ? -4.547 16.643 50.468 1.00 12.64 ? 28 ALA C O 1 +ATOM 2389 C CB . ALA C 1 28 ? -5.617 19.678 49.690 1.00 13.35 ? 28 ALA C CB 1 +ATOM 2390 N N . LEU C 1 29 ? -4.867 18.086 52.289 1.00 12.01 ? 29 LEU C N 1 +ATOM 2391 C CA . LEU C 1 29 ? -3.865 17.192 53.090 1.00 9.42 ? 29 LEU C CA 1 +ATOM 2392 C C . LEU C 1 29 ? -4.173 15.905 53.289 1.00 8.04 ? 29 LEU C C 1 +ATOM 2393 O O . LEU C 1 29 ? -3.538 14.863 53.260 1.00 11.27 ? 29 LEU C O 1 +ATOM 2394 C CB . LEU C 1 29 ? -3.658 18.059 54.497 1.00 13.39 ? 29 LEU C CB 1 +ATOM 2395 C CG . LEU C 1 29 ? -2.876 19.278 54.399 1.00 14.28 ? 29 LEU C CG 1 +ATOM 2396 C CD1 . LEU C 1 29 ? -3.094 19.952 55.595 1.00 21.17 ? 29 LEU C CD1 1 +ATOM 2397 C CD2 . LEU C 1 29 ? -1.571 19.096 53.905 1.00 17.52 ? 29 LEU C CD2 1 +ATOM 2398 N N . GLU C 1 30 ? -5.462 15.535 53.648 1.00 12.13 ? 30 GLU C N 1 +ATOM 2399 C CA . GLU C 1 30 ? -6.102 14.366 53.851 1.00 15.15 ? 30 GLU C CA 1 +ATOM 2400 C C . GLU C 1 30 ? -5.835 13.527 52.661 1.00 15.74 ? 30 GLU C C 1 +ATOM 2401 O O . GLU C 1 30 ? -5.582 12.341 52.786 1.00 15.15 ? 30 GLU C O 1 +ATOM 2402 C CB . GLU C 1 30 ? -7.561 14.405 54.364 1.00 16.95 ? 30 GLU C CB 1 +ATOM 2403 C CG . GLU C 1 30 ? -7.999 13.072 54.661 1.00 22.01 ? 30 GLU C CG 1 +ATOM 2404 C CD . GLU C 1 30 ? -9.745 12.903 55.530 1.00 33.25 ? 30 GLU C CD 1 +ATOM 2405 O OE1 . GLU C 1 30 ? -9.926 14.090 55.536 1.00 33.78 ? 30 GLU C OE1 1 +ATOM 2406 O OE2 . GLU C 1 30 ? -9.657 12.146 55.771 1.00 40.59 ? 30 GLU C OE2 1 +ATOM 2407 N N . ARG C 1 31 ? -6.245 14.159 51.535 1.00 9.68 ? 31 ARG C N 1 +ATOM 2408 C CA . ARG C 1 31 ? -6.127 13.392 50.254 1.00 8.70 ? 31 ARG C CA 1 +ATOM 2409 C C . ARG C 1 31 ? -4.580 12.893 50.083 1.00 13.62 ? 31 ARG C C 1 +ATOM 2410 O O . ARG C 1 31 ? -4.392 11.761 49.708 1.00 13.67 ? 31 ARG C O 1 +ATOM 2411 C CB . ARG C 1 31 ? -6.560 14.268 49.178 1.00 12.42 ? 31 ARG C CB 1 +ATOM 2412 C CG . ARG C 1 31 ? -8.118 14.275 49.084 1.00 11.84 ? 31 ARG C CG 1 +ATOM 2413 C CD . ARG C 1 31 ? -8.437 15.159 47.997 1.00 15.20 ? 31 ARG C CD 1 +ATOM 2414 N NE . ARG C 1 31 ? -10.007 15.331 47.812 1.00 14.19 ? 31 ARG C NE 1 +ATOM 2415 C CZ . ARG C 1 31 ? -10.854 14.431 47.288 1.00 11.42 ? 31 ARG C CZ 1 +ATOM 2416 N NH1 . ARG C 1 31 ? -10.341 13.256 46.830 1.00 11.92 ? 31 ARG C NH1 1 +ATOM 2417 N NH2 . ARG C 1 31 ? -12.062 14.695 47.485 1.00 15.15 ? 31 ARG C NH2 1 +ATOM 2418 N N . MET C 1 32 ? -3.708 13.821 50.267 1.00 10.57 ? 32 MET C N 1 +ATOM 2419 C CA . MET C 1 32 ? -2.214 13.598 50.222 1.00 8.16 ? 32 MET C CA 1 +ATOM 2420 C C . MET C 1 32 ? -1.757 12.475 51.159 1.00 7.80 ? 32 MET C C 1 +ATOM 2421 O O . MET C 1 32 ? -1.101 11.542 50.687 1.00 11.64 ? 32 MET C O 1 +ATOM 2422 C CB . MET C 1 32 ? -1.488 14.925 50.426 1.00 8.09 ? 32 MET C CB 1 +ATOM 2423 C CG . MET C 1 32 ? -0.080 14.657 50.300 1.00 11.10 ? 32 MET C CG 1 +ATOM 2424 S SD . MET C 1 32 ? 0.910 16.107 50.699 1.00 18.02 ? 32 MET C SD 1 +ATOM 2425 C CE . MET C 1 32 ? 0.605 16.186 52.438 1.00 20.04 ? 32 MET C CE 1 +ATOM 2426 N N . PHE C 1 33 ? -2.172 12.561 52.488 1.00 13.50 ? 33 PHE C N 1 +ATOM 2427 C CA . PHE C 1 33 ? -1.762 11.448 53.384 1.00 12.85 ? 33 PHE C CA 1 +ATOM 2428 C C . PHE C 1 33 ? -2.261 10.215 53.037 1.00 15.05 ? 33 PHE C C 1 +ATOM 2429 O O . PHE C 1 33 ? -1.578 9.141 53.270 1.00 13.38 ? 33 PHE C O 1 +ATOM 2430 C CB . PHE C 1 33 ? -2.101 11.908 54.764 1.00 12.45 ? 33 PHE C CB 1 +ATOM 2431 C CG . PHE C 1 33 ? -1.665 13.245 55.277 1.00 10.81 ? 33 PHE C CG 1 +ATOM 2432 C CD1 . PHE C 1 33 ? -0.325 13.419 55.129 1.00 14.60 ? 33 PHE C CD1 1 +ATOM 2433 C CD2 . PHE C 1 33 ? -2.465 14.016 56.113 1.00 15.15 ? 33 PHE C CD2 1 +ATOM 2434 C CE1 . PHE C 1 33 ? 0.265 14.558 55.632 1.00 15.80 ? 33 PHE C CE1 1 +ATOM 2435 C CE2 . PHE C 1 33 ? -1.739 15.156 56.434 1.00 13.43 ? 33 PHE C CE2 1 +ATOM 2436 C CZ . PHE C 1 33 ? -0.471 15.399 56.218 1.00 22.23 ? 33 PHE C CZ 1 +ATOM 2437 N N . LEU C 1 34 ? -3.467 10.015 52.475 1.00 11.85 ? 34 LEU C N 1 +ATOM 2438 C CA . LEU C 1 34 ? -4.060 8.695 52.074 1.00 12.31 ? 34 LEU C CA 1 +ATOM 2439 C C . LEU C 1 34 ? -3.489 8.195 50.756 1.00 15.72 ? 34 LEU C C 1 +ATOM 2440 O O . LEU C 1 34 ? -3.186 7.026 50.593 1.00 19.67 ? 34 LEU C O 1 +ATOM 2441 C CB . LEU C 1 34 ? -5.561 8.656 51.943 1.00 16.89 ? 34 LEU C CB 1 +ATOM 2442 C CG . LEU C 1 34 ? -6.276 8.888 53.285 1.00 26.21 ? 34 LEU C CG 1 +ATOM 2443 C CD1 . LEU C 1 34 ? -7.791 8.930 53.163 1.00 26.59 ? 34 LEU C CD1 1 +ATOM 2444 C CD2 . LEU C 1 34 ? -5.945 7.900 54.377 1.00 38.34 ? 34 LEU C CD2 1 +ATOM 2445 N N . SER C 1 35 ? -3.374 9.127 49.760 1.00 12.82 ? 35 SER C N 1 +ATOM 2446 C CA . SER C 1 35 ? -2.817 8.650 48.555 1.00 10.93 ? 35 SER C CA 1 +ATOM 2447 C C . SER C 1 35 ? -1.422 8.375 48.315 1.00 14.27 ? 35 SER C C 1 +ATOM 2448 O O . SER C 1 35 ? -0.907 7.716 47.538 1.00 16.71 ? 35 SER C O 1 +ATOM 2449 C CB . SER C 1 35 ? -3.146 9.673 47.396 1.00 13.98 ? 35 SER C CB 1 +ATOM 2450 O OG . SER C 1 35 ? -4.554 9.755 47.217 1.00 18.75 ? 35 SER C OG 1 +ATOM 2451 N N . PHE C 1 36 ? -0.515 9.177 49.129 1.00 11.09 ? 36 PHE C N 1 +ATOM 2452 C CA . PHE C 1 36 ? 0.928 9.230 49.073 1.00 10.70 ? 36 PHE C CA 1 +ATOM 2453 C C . PHE C 1 36 ? 1.442 9.244 50.598 1.00 13.97 ? 36 PHE C C 1 +ATOM 2454 O O . PHE C 1 36 ? 1.897 10.208 51.186 1.00 16.32 ? 36 PHE C O 1 +ATOM 2455 C CB . PHE C 1 36 ? 1.366 10.496 48.464 1.00 12.71 ? 36 PHE C CB 1 +ATOM 2456 C CG . PHE C 1 36 ? 0.831 10.743 47.018 1.00 14.13 ? 36 PHE C CG 1 +ATOM 2457 C CD1 . PHE C 1 36 ? -0.200 11.709 46.855 1.00 14.98 ? 36 PHE C CD1 1 +ATOM 2458 C CD2 . PHE C 1 36 ? 1.146 9.782 45.870 1.00 21.47 ? 36 PHE C CD2 1 +ATOM 2459 C CE1 . PHE C 1 36 ? -0.795 11.967 45.602 1.00 23.41 ? 36 PHE C CE1 1 +ATOM 2460 C CE2 . PHE C 1 36 ? 0.543 10.112 44.816 1.00 24.62 ? 36 PHE C CE2 1 +ATOM 2461 C CZ . PHE C 1 36 ? -0.438 11.152 44.672 1.00 15.55 ? 36 PHE C CZ 1 +ATOM 2462 N N . PRO C 1 37 ? 1.375 7.958 50.950 1.00 18.65 ? 37 PRO C N 1 +ATOM 2463 C CA . PRO C 1 37 ? 1.595 7.767 52.370 1.00 17.35 ? 37 PRO C CA 1 +ATOM 2464 C C . PRO C 1 37 ? 3.075 8.220 52.886 1.00 18.35 ? 37 PRO C C 1 +ATOM 2465 O O . PRO C 1 37 ? 3.306 8.543 54.086 1.00 14.04 ? 37 PRO C O 1 +ATOM 2466 C CB . PRO C 1 37 ? 1.345 6.277 52.714 1.00 27.87 ? 37 PRO C CB 1 +ATOM 2467 C CG . PRO C 1 37 ? 1.106 5.699 51.582 1.00 37.42 ? 37 PRO C CG 1 +ATOM 2468 C CD . PRO C 1 37 ? 0.889 6.839 50.576 1.00 22.48 ? 37 PRO C CD 1 +ATOM 2469 N N . THR C 1 38 ? 3.945 8.303 51.974 1.00 12.63 ? 38 THR C N 1 +ATOM 2470 C CA . THR C 1 38 ? 5.319 8.916 52.410 1.00 17.25 ? 38 THR C CA 1 +ATOM 2471 C C . THR C 1 38 ? 5.331 10.143 52.974 1.00 15.32 ? 38 THR C C 1 +ATOM 2472 O O . THR C 1 38 ? 6.235 10.553 53.686 1.00 11.09 ? 38 THR C O 1 +ATOM 2473 C CB . THR C 1 38 ? 6.349 8.251 51.084 1.00 12.40 ? 38 THR C CB 1 +ATOM 2474 O OG1 . THR C 1 38 ? 5.950 9.501 50.148 1.00 15.33 ? 38 THR C OG1 1 +ATOM 2475 C CG2 . THR C 1 38 ? 5.401 8.189 50.082 1.00 80.12 ? 38 THR C CG2 1 +ATOM 2476 N N . THR C 1 39 ? 4.389 10.931 52.424 1.00 10.35 ? 39 THR C N 1 +ATOM 2477 C CA . THR C 1 39 ? 4.247 12.291 52.960 1.00 11.60 ? 39 THR C CA 1 +ATOM 2478 C C . THR C 1 39 ? 3.926 12.334 54.475 1.00 11.25 ? 39 THR C C 1 +ATOM 2479 O O . THR C 1 39 ? 4.278 13.349 55.136 1.00 15.31 ? 39 THR C O 1 +ATOM 2480 C CB . THR C 1 39 ? 3.160 13.097 52.249 1.00 10.41 ? 39 THR C CB 1 +ATOM 2481 O OG1 . THR C 1 39 ? 1.787 12.616 52.383 1.00 8.43 ? 39 THR C OG1 1 +ATOM 2482 C CG2 . THR C 1 39 ? 3.577 13.036 50.712 1.00 7.27 ? 39 THR C CG2 1 +ATOM 2483 N N . LYS C 1 40 ? 3.512 11.306 55.020 1.00 12.10 ? 40 LYS C N 1 +ATOM 2484 C CA . LYS C 1 40 ? 3.174 11.353 56.579 1.00 12.37 ? 40 LYS C CA 1 +ATOM 2485 C C . LYS C 1 40 ? 4.469 11.360 57.368 1.00 12.69 ? 40 LYS C C 1 +ATOM 2486 O O . LYS C 1 40 ? 4.366 11.655 58.531 1.00 13.50 ? 40 LYS C O 1 +ATOM 2487 C CB . LYS C 1 40 ? 2.403 9.990 56.942 1.00 13.01 ? 40 LYS C CB 1 +ATOM 2488 C CG . LYS C 1 40 ? 0.969 9.952 56.346 1.00 16.35 ? 40 LYS C CG 1 +ATOM 2489 C CD . LYS C 1 40 ? 0.649 8.359 56.605 1.00 21.60 ? 40 LYS C CD 1 +ATOM 2490 C CE . LYS C 1 40 ? -0.193 8.248 56.553 1.00 41.58 ? 40 LYS C CE 1 +ATOM 2491 N NZ . LYS C 1 40 ? -0.139 6.607 56.962 1.00 24.62 ? 40 LYS C NZ 1 +ATOM 2492 N N . THR C 1 41 ? 5.528 11.065 56.723 1.00 15.39 ? 41 THR C N 1 +ATOM 2493 C CA . THR C 1 41 ? 6.922 10.921 57.459 1.00 15.24 ? 41 THR C CA 1 +ATOM 2494 C C . THR C 1 41 ? 7.123 12.284 57.801 1.00 24.53 ? 41 THR C C 1 +ATOM 2495 O O . THR C 1 41 ? 8.072 12.498 58.835 1.00 20.94 ? 41 THR C O 1 +ATOM 2496 C CB . THR C 1 41 ? 8.064 10.477 56.566 1.00 10.27 ? 41 THR C CB 1 +ATOM 2497 O OG1 . THR C 1 41 ? 8.284 11.337 55.536 1.00 10.56 ? 41 THR C OG1 1 +ATOM 2498 C CG2 . THR C 1 41 ? 7.786 9.146 56.124 1.00 13.16 ? 41 THR C CG2 1 +ATOM 2499 N N . TYR C 1 42 ? 6.638 13.545 57.531 1.00 15.74 ? 42 TYR C N 1 +ATOM 2500 C CA . TYR C 1 42 ? 7.006 14.840 57.845 1.00 10.60 ? 42 TYR C CA 1 +ATOM 2501 C C . TYR C 1 42 ? 6.076 15.316 59.042 1.00 12.75 ? 42 TYR C C 1 +ATOM 2502 O O . TYR C 1 42 ? 6.204 16.390 59.558 1.00 15.68 ? 42 TYR C O 1 +ATOM 2503 C CB . TYR C 1 42 ? 6.733 15.915 56.788 1.00 16.68 ? 42 TYR C CB 1 +ATOM 2504 C CG . TYR C 1 42 ? 7.813 15.489 55.713 1.00 10.99 ? 42 TYR C CG 1 +ATOM 2505 C CD1 . TYR C 1 42 ? 9.207 16.044 55.836 1.00 17.16 ? 42 TYR C CD1 1 +ATOM 2506 C CD2 . TYR C 1 42 ? 7.533 14.755 54.517 1.00 12.51 ? 42 TYR C CD2 1 +ATOM 2507 C CE1 . TYR C 1 42 ? 10.103 15.679 54.940 1.00 15.83 ? 42 TYR C CE1 1 +ATOM 2508 C CE2 . TYR C 1 42 ? 8.459 14.511 53.606 1.00 12.91 ? 42 TYR C CE2 1 +ATOM 2509 C CZ . TYR C 1 42 ? 9.872 14.963 53.797 1.00 12.97 ? 42 TYR C CZ 1 +ATOM 2510 O OH . TYR C 1 42 ? 10.781 14.763 52.777 1.00 13.25 ? 42 TYR C OH 1 +ATOM 2511 N N . PHE C 1 43 ? 5.152 14.452 59.371 1.00 15.49 ? 43 PHE C N 1 +ATOM 2512 C CA . PHE C 1 43 ? 4.069 14.816 60.478 1.00 17.75 ? 43 PHE C CA 1 +ATOM 2513 C C . PHE C 1 43 ? 3.884 13.661 61.477 1.00 20.04 ? 43 PHE C C 1 +ATOM 2514 O O . PHE C 1 43 ? 2.749 13.346 61.865 1.00 17.05 ? 43 PHE C O 1 +ATOM 2515 C CB . PHE C 1 43 ? 2.709 15.201 59.703 1.00 26.70 ? 43 PHE C CB 1 +ATOM 2516 C CG . PHE C 1 43 ? 2.732 16.251 58.715 1.00 14.42 ? 43 PHE C CG 1 +ATOM 2517 C CD1 . PHE C 1 43 ? 3.037 15.910 57.330 1.00 15.73 ? 43 PHE C CD1 1 +ATOM 2518 C CD2 . PHE C 1 43 ? 2.168 17.573 59.210 1.00 15.90 ? 43 PHE C CD2 1 +ATOM 2519 C CE1 . PHE C 1 43 ? 2.972 16.995 56.504 1.00 16.99 ? 43 PHE C CE1 1 +ATOM 2520 C CE2 . PHE C 1 43 ? 2.369 18.466 58.178 1.00 19.76 ? 43 PHE C CE2 1 +ATOM 2521 C CZ . PHE C 1 43 ? 2.678 18.396 56.822 1.00 10.96 ? 43 PHE C CZ 1 +ATOM 2522 N N . PRO C 1 44 ? 5.089 13.280 62.132 1.00 17.51 ? 44 PRO C N 1 +ATOM 2523 C CA . PRO C 1 44 ? 4.820 12.079 63.073 1.00 22.01 ? 44 PRO C CA 1 +ATOM 2524 C C . PRO C 1 44 ? 4.417 12.817 64.424 1.00 23.34 ? 44 PRO C C 1 +ATOM 2525 O O . PRO C 1 44 ? 3.858 11.984 65.132 1.00 23.67 ? 44 PRO C O 1 +ATOM 2526 C CB . PRO C 1 44 ? 6.514 11.803 63.224 1.00 28.76 ? 44 PRO C CB 1 +ATOM 2527 C CG . PRO C 1 44 ? 7.129 13.041 62.978 1.00 30.00 ? 44 PRO C CG 1 +ATOM 2528 C CD . PRO C 1 44 ? 6.478 13.814 61.795 1.00 18.17 ? 44 PRO C CD 1 +ATOM 2529 N N . HIS C 1 45 ? 4.305 13.912 64.562 1.00 23.82 ? 45 HIS C N 1 +ATOM 2530 C CA . HIS C 1 45 ? 3.666 14.662 65.745 1.00 24.33 ? 45 HIS C CA 1 +ATOM 2531 C C . HIS C 1 45 ? 2.039 14.941 65.696 1.00 36.67 ? 45 HIS C C 1 +ATOM 2532 O O . HIS C 1 45 ? 1.771 15.645 66.599 1.00 32.61 ? 45 HIS C O 1 +ATOM 2533 C CB . HIS C 1 45 ? 4.294 15.937 65.949 1.00 29.73 ? 45 HIS C CB 1 +ATOM 2534 C CG . HIS C 1 45 ? 4.645 17.139 64.937 1.00 29.43 ? 45 HIS C CG 1 +ATOM 2535 N ND1 . HIS C 1 45 ? 5.085 16.497 63.657 1.00 26.84 ? 45 HIS C ND1 1 +ATOM 2536 C CD2 . HIS C 1 45 ? 4.120 18.333 64.811 1.00 33.54 ? 45 HIS C CD2 1 +ATOM 2537 C CE1 . HIS C 1 45 ? 4.879 17.511 63.169 1.00 37.75 ? 45 HIS C CE1 1 +ATOM 2538 N NE2 . HIS C 1 45 ? 4.436 18.751 63.634 1.00 39.11 ? 45 HIS C NE2 1 +ATOM 2539 N N . PHE C 1 46 ? 1.609 14.731 64.494 1.00 19.71 ? 46 PHE C N 1 +ATOM 2540 C CA . PHE C 1 46 ? 0.306 15.065 64.360 1.00 16.71 ? 46 PHE C CA 1 +ATOM 2541 C C . PHE C 1 46 ? -0.430 13.925 64.600 1.00 21.27 ? 46 PHE C C 1 +ATOM 2542 O O . PHE C 1 46 ? -0.267 12.658 64.220 1.00 23.84 ? 46 PHE C O 1 +ATOM 2543 C CB . PHE C 1 46 ? -0.011 15.514 62.776 1.00 21.57 ? 46 PHE C CB 1 +ATOM 2544 C CG . PHE C 1 46 ? 0.114 16.856 62.790 1.00 17.89 ? 46 PHE C CG 1 +ATOM 2545 C CD1 . PHE C 1 46 ? -0.605 17.595 61.827 1.00 29.22 ? 46 PHE C CD1 1 +ATOM 2546 C CD2 . PHE C 1 46 ? 1.023 17.809 63.228 1.00 29.35 ? 46 PHE C CD2 1 +ATOM 2547 C CE1 . PHE C 1 46 ? -0.351 18.995 61.517 1.00 23.51 ? 46 PHE C CE1 1 +ATOM 2548 C CE2 . PHE C 1 46 ? 0.956 18.685 62.965 1.00 34.19 ? 46 PHE C CE2 1 +ATOM 2549 C CZ . PHE C 1 46 ? 0.537 19.703 61.848 1.00 30.38 ? 46 PHE C CZ 1 +ATOM 2550 N N . ASP C 1 47 ? -1.925 13.966 64.948 1.00 21.22 ? 47 ASP C N 1 +ATOM 2551 C CA . ASP C 1 47 ? -2.839 12.896 64.685 1.00 21.17 ? 47 ASP C CA 1 +ATOM 2552 C C . ASP C 1 47 ? -3.681 13.044 63.245 1.00 15.44 ? 47 ASP C C 1 +ATOM 2553 O O . ASP C 1 47 ? -3.923 14.278 63.014 1.00 19.22 ? 47 ASP C O 1 +ATOM 2554 C CB . ASP C 1 47 ? -4.083 13.376 65.772 1.00 26.87 ? 47 ASP C CB 1 +ATOM 2555 C CG . ASP C 1 47 ? -5.052 11.954 65.737 1.00 44.60 ? 47 ASP C CG 1 +ATOM 2556 O OD1 . ASP C 1 47 ? -5.160 11.792 64.719 1.00 38.14 ? 47 ASP C OD1 1 +ATOM 2557 O OD2 . ASP C 1 47 ? -5.925 12.234 66.642 1.00 35.16 ? 47 ASP C OD2 1 +ATOM 2558 N N . LEU C 1 48 ? -3.179 12.085 62.497 1.00 20.23 ? 48 LEU C N 1 +ATOM 2559 C CA . LEU C 1 48 ? -3.688 12.319 61.005 1.00 22.13 ? 48 LEU C CA 1 +ATOM 2560 C C . LEU C 1 48 ? -4.802 11.660 60.740 1.00 26.79 ? 48 LEU C C 1 +ATOM 2561 O O . LEU C 1 48 ? -5.457 11.516 59.513 1.00 28.79 ? 48 LEU C O 1 +ATOM 2562 C CB . LEU C 1 48 ? -2.551 11.656 60.237 1.00 20.10 ? 48 LEU C CB 1 +ATOM 2563 C CG . LEU C 1 48 ? -1.277 12.170 60.036 1.00 22.13 ? 48 LEU C CG 1 +ATOM 2564 C CD1 . LEU C 1 48 ? -0.083 11.612 59.311 1.00 30.66 ? 48 LEU C CD1 1 +ATOM 2565 C CD2 . LEU C 1 48 ? -1.174 13.889 59.773 1.00 21.27 ? 48 LEU C CD2 1 +ATOM 2566 N N . SER C 1 49 ? -5.849 11.353 61.642 1.00 29.67 ? 49 SER C N 1 +ATOM 2567 C CA . SER C 1 49 ? -7.213 10.679 61.793 1.00 26.45 ? 49 SER C CA 1 +ATOM 2568 C C . SER C 1 49 ? -7.806 11.616 61.067 1.00 19.97 ? 49 SER C C 1 +ATOM 2569 O O . SER C 1 49 ? -7.872 12.886 60.969 1.00 20.96 ? 49 SER C O 1 +ATOM 2570 C CB . SER C 1 49 ? -7.654 9.961 63.116 1.00 26.72 ? 49 SER C CB 1 +ATOM 2571 O OG . SER C 1 49 ? -7.349 10.585 63.974 1.00 34.29 ? 49 SER C OG 1 +ATOM 2572 N N . HIS C 1 50 ? -9.058 10.938 60.378 1.00 28.23 ? 50 HIS C N 1 +ATOM 2573 C CA . HIS C 1 50 ? -9.989 11.753 59.695 1.00 26.06 ? 50 HIS C CA 1 +ATOM 2574 C C . HIS C 1 50 ? -10.723 12.840 60.792 1.00 24.81 ? 50 HIS C C 1 +ATOM 2575 O O . HIS C 1 50 ? -11.005 12.232 61.727 1.00 27.33 ? 50 HIS C O 1 +ATOM 2576 C CB . HIS C 1 50 ? -11.185 10.845 58.864 1.00 33.58 ? 50 HIS C CB 1 +ATOM 2577 C CG . HIS C 1 50 ? -11.812 11.755 58.159 1.00 21.75 ? 50 HIS C CG 1 +ATOM 2578 N ND1 . HIS C 1 50 ? -13.399 11.819 58.670 1.00 37.61 ? 50 HIS C ND1 1 +ATOM 2579 C CD2 . HIS C 1 50 ? -11.939 12.681 57.336 1.00 24.11 ? 50 HIS C CD2 1 +ATOM 2580 C CE1 . HIS C 1 50 ? -13.904 12.788 58.021 1.00 35.12 ? 50 HIS C CE1 1 +ATOM 2581 N NE2 . HIS C 1 50 ? -13.088 13.562 56.956 1.00 42.35 ? 50 HIS C NE2 1 +ATOM 2582 N N . GLY C 1 51 ? -10.727 14.002 60.432 1.00 24.42 ? 51 GLY C N 1 +ATOM 2583 C CA . GLY C 1 51 ? -11.270 14.900 61.213 1.00 26.56 ? 51 GLY C CA 1 +ATOM 2584 C C . GLY C 1 51 ? -10.541 15.602 62.210 1.00 23.39 ? 51 GLY C C 1 +ATOM 2585 O O . GLY C 1 51 ? -10.797 16.611 62.951 1.00 25.53 ? 51 GLY C O 1 +ATOM 2586 N N . SER C 1 52 ? -9.223 15.273 62.098 1.00 22.06 ? 52 SER C N 1 +ATOM 2587 C CA . SER C 1 52 ? -8.075 15.847 63.074 1.00 25.03 ? 52 SER C CA 1 +ATOM 2588 C C . SER C 1 52 ? -8.030 17.123 63.178 1.00 31.37 ? 52 SER C C 1 +ATOM 2589 O O . SER C 1 52 ? -7.998 17.964 62.109 1.00 22.94 ? 52 SER C O 1 +ATOM 2590 C CB . SER C 1 52 ? -6.799 15.297 62.750 1.00 30.26 ? 52 SER C CB 1 +ATOM 2591 O OG . SER C 1 52 ? -5.835 15.898 63.565 1.00 21.66 ? 52 SER C OG 1 +ATOM 2592 N N . ALA C 1 53 ? -8.245 17.975 64.239 1.00 22.15 ? 53 ALA C N 1 +ATOM 2593 C CA . ALA C 1 53 ? -7.913 19.411 64.437 1.00 29.32 ? 53 ALA C CA 1 +ATOM 2594 C C . ALA C 1 53 ? -6.627 19.950 63.856 1.00 23.50 ? 53 ALA C C 1 +ATOM 2595 O O . ALA C 1 53 ? -6.601 21.082 63.529 1.00 19.56 ? 53 ALA C O 1 +ATOM 2596 C CB . ALA C 1 53 ? -8.583 19.836 65.595 1.00 46.37 ? 53 ALA C CB 1 +ATOM 2597 N N . GLN C 1 54 ? -5.817 18.961 64.252 1.00 20.69 ? 54 GLN C N 1 +ATOM 2598 C CA . GLN C 1 54 ? -4.343 19.380 63.936 1.00 22.13 ? 54 GLN C CA 1 +ATOM 2599 C C . GLN C 1 54 ? -4.212 19.710 62.226 1.00 21.00 ? 54 GLN C C 1 +ATOM 2600 O O . GLN C 1 54 ? -3.565 20.642 61.831 1.00 19.66 ? 54 GLN C O 1 +ATOM 2601 C CB . GLN C 1 54 ? -3.307 18.507 64.329 1.00 23.01 ? 54 GLN C CB 1 +ATOM 2602 C CG . GLN C 1 54 ? -3.086 18.473 65.690 1.00 26.98 ? 54 GLN C CG 1 +ATOM 2603 C CD . GLN C 1 54 ? -2.066 17.388 66.316 1.00 17.64 ? 54 GLN C CD 1 +ATOM 2604 O OE1 . GLN C 1 54 ? -2.244 16.204 65.989 1.00 23.97 ? 54 GLN C OE1 1 +ATOM 2605 N NE2 . GLN C 1 54 ? -0.960 17.945 66.788 1.00 35.16 ? 54 GLN C NE2 1 +ATOM 2606 N N . VAL C 1 55 ? -4.931 18.617 61.614 1.00 18.58 ? 55 VAL C N 1 +ATOM 2607 C CA . VAL C 1 55 ? -4.793 18.683 60.011 1.00 18.23 ? 55 VAL C CA 1 +ATOM 2608 C C . VAL C 1 55 ? -5.634 19.910 59.692 1.00 15.73 ? 55 VAL C C 1 +ATOM 2609 O O . VAL C 1 55 ? -5.344 20.592 58.740 1.00 16.15 ? 55 VAL C O 1 +ATOM 2610 C CB . VAL C 1 55 ? -5.286 17.310 59.526 1.00 16.13 ? 55 VAL C CB 1 +ATOM 2611 C CG1 . VAL C 1 55 ? -5.449 17.575 58.027 1.00 22.56 ? 55 VAL C CG1 1 +ATOM 2612 C CG2 . VAL C 1 55 ? -4.343 16.309 59.863 1.00 16.34 ? 55 VAL C CG2 1 +ATOM 2613 N N . LYS C 1 56 ? -6.854 20.164 60.277 1.00 17.00 ? 56 LYS C N 1 +ATOM 2614 C CA . LYS C 1 56 ? -7.662 21.228 59.942 1.00 18.57 ? 56 LYS C CA 1 +ATOM 2615 C C . LYS C 1 56 ? -7.108 22.391 60.069 1.00 20.36 ? 56 LYS C C 1 +ATOM 2616 O O . LYS C 1 56 ? -6.966 23.419 59.326 1.00 20.10 ? 56 LYS C O 1 +ATOM 2617 C CB . LYS C 1 56 ? -8.921 21.267 60.796 1.00 27.04 ? 56 LYS C CB 1 +ATOM 2618 C CG . LYS C 1 56 ? -9.866 20.028 60.378 1.00 42.35 ? 56 LYS C CG 1 +ATOM 2619 C CD . LYS C 1 56 ? -11.616 21.441 60.667 1.00 43.36 ? 56 LYS C CD 1 +ATOM 2620 C CE . LYS C 1 56 ? -12.255 19.139 60.522 1.00 48.38 ? 56 LYS C CE 1 +ATOM 2621 N NZ . LYS C 1 56 ? -13.406 19.860 61.584 1.00 67.70 ? 56 LYS C NZ 1 +ATOM 2622 N N . GLY C 1 57 ? -6.220 22.581 61.161 1.00 16.00 ? 57 GLY C N 1 +ATOM 2623 C CA . GLY C 1 57 ? -5.534 23.718 61.495 1.00 21.54 ? 57 GLY C CA 1 +ATOM 2624 C C . GLY C 1 57 ? -4.411 24.118 60.535 1.00 18.61 ? 57 GLY C C 1 +ATOM 2625 O O . GLY C 1 57 ? -4.106 25.381 60.090 1.00 24.59 ? 57 GLY C O 1 +ATOM 2626 N N . HIS C 1 58 ? -3.714 23.014 60.250 1.00 15.81 ? 58 HIS C N 1 +ATOM 2627 C CA . HIS C 1 58 ? -2.577 23.110 59.257 1.00 16.10 ? 58 HIS C CA 1 +ATOM 2628 C C . HIS C 1 58 ? -3.303 23.581 57.803 1.00 21.16 ? 58 HIS C C 1 +ATOM 2629 O O . HIS C 1 58 ? -2.579 24.318 57.149 1.00 17.74 ? 58 HIS C O 1 +ATOM 2630 C CB . HIS C 1 58 ? -1.798 21.921 59.173 1.00 15.43 ? 58 HIS C CB 1 +ATOM 2631 C CG . HIS C 1 58 ? -0.595 22.031 58.374 1.00 18.98 ? 58 HIS C CG 1 +ATOM 2632 N ND1 . HIS C 1 58 ? 0.305 23.017 58.784 1.00 21.14 ? 58 HIS C ND1 1 +ATOM 2633 C CD2 . HIS C 1 58 ? -0.197 21.395 57.415 1.00 16.95 ? 58 HIS C CD2 1 +ATOM 2634 C CE1 . HIS C 1 58 ? 1.197 22.783 57.658 1.00 21.77 ? 58 HIS C CE1 1 +ATOM 2635 N NE2 . HIS C 1 58 ? 0.960 21.773 56.730 1.00 17.45 ? 58 HIS C NE2 1 +ATOM 2636 N N . GLY C 1 59 ? -4.296 22.876 57.544 1.00 20.04 ? 59 GLY C N 1 +ATOM 2637 C CA . GLY C 1 59 ? -4.838 23.208 56.376 1.00 24.32 ? 59 GLY C CA 1 +ATOM 2638 C C . GLY C 1 59 ? -5.306 24.581 56.096 1.00 16.44 ? 59 GLY C C 1 +ATOM 2639 O O . GLY C 1 59 ? -5.015 25.292 54.988 1.00 16.63 ? 59 GLY C O 1 +ATOM 2640 N N . LYS C 1 60 ? -5.781 25.258 57.176 1.00 14.40 ? 60 LYS C N 1 +ATOM 2641 C CA . LYS C 1 60 ? -5.960 26.683 57.223 1.00 14.87 ? 60 LYS C CA 1 +ATOM 2642 C C . LYS C 1 60 ? -4.842 27.533 56.982 1.00 17.20 ? 60 LYS C C 1 +ATOM 2643 O O . LYS C 1 60 ? -4.747 28.487 56.243 1.00 19.10 ? 60 LYS C O 1 +ATOM 2644 C CB . LYS C 1 60 ? -6.895 26.995 58.493 1.00 20.14 ? 60 LYS C CB 1 +ATOM 2645 C CG . LYS C 1 60 ? -7.071 28.403 58.258 1.00 36.22 ? 60 LYS C CG 1 +ATOM 2646 C CD . LYS C 1 60 ? -8.196 29.061 59.122 1.00 67.45 ? 60 LYS C CD 1 +ATOM 2647 C CE . LYS C 1 60 ? -8.607 30.169 58.486 1.00 61.41 ? 60 LYS C CE 1 +ATOM 2648 N NZ . LYS C 1 60 ? -7.187 31.227 59.448 1.00 67.02 ? 60 LYS C NZ 1 +ATOM 2649 N N . LYS C 1 61 ? -3.715 27.130 57.611 1.00 17.79 ? 61 LYS C N 1 +ATOM 2650 C CA . LYS C 1 61 ? -2.518 27.878 57.458 1.00 21.13 ? 61 LYS C CA 1 +ATOM 2651 C C . LYS C 1 61 ? -1.910 27.871 55.802 1.00 16.24 ? 61 LYS C C 1 +ATOM 2652 O O . LYS C 1 61 ? -1.487 28.880 55.333 1.00 15.80 ? 61 LYS C O 1 +ATOM 2653 C CB . LYS C 1 61 ? -1.395 27.243 58.272 1.00 23.05 ? 61 LYS C CB 1 +ATOM 2654 C CG . LYS C 1 61 ? -1.631 27.643 59.520 1.00 29.48 ? 61 LYS C CG 1 +ATOM 2655 C CD . LYS C 1 61 ? -0.739 27.206 60.480 1.00 35.76 ? 61 LYS C CD 1 +ATOM 2656 C CE . LYS C 1 61 ? -1.233 27.929 62.061 1.00 58.26 ? 61 LYS C CE 1 +ATOM 2657 N NZ . LYS C 1 61 ? 0.169 26.603 62.489 1.00 59.87 ? 61 LYS C NZ 1 +ATOM 2658 N N . VAL C 1 62 ? -2.048 26.506 55.279 1.00 15.31 ? 62 VAL C N 1 +ATOM 2659 C CA . VAL C 1 62 ? -1.708 26.402 53.887 1.00 17.56 ? 62 VAL C CA 1 +ATOM 2660 C C . VAL C 1 62 ? -2.389 27.261 52.819 1.00 16.25 ? 62 VAL C C 1 +ATOM 2661 O O . VAL C 1 62 ? -1.946 28.030 52.063 1.00 13.61 ? 62 VAL C O 1 +ATOM 2662 C CB . VAL C 1 62 ? -1.736 24.806 53.584 1.00 18.84 ? 62 VAL C CB 1 +ATOM 2663 C CG1 . VAL C 1 62 ? -1.649 24.613 52.156 1.00 17.19 ? 62 VAL C CG1 1 +ATOM 2664 C CG2 . VAL C 1 62 ? -0.645 24.196 54.363 1.00 18.33 ? 62 VAL C CG2 1 +ATOM 2665 N N . ALA C 1 63 ? -3.724 27.181 53.303 1.00 13.67 ? 63 ALA C N 1 +ATOM 2666 C CA . ALA C 1 63 ? -4.787 27.914 52.463 1.00 21.56 ? 63 ALA C CA 1 +ATOM 2667 C C . ALA C 1 63 ? -4.472 29.237 52.416 1.00 19.04 ? 63 ALA C C 1 +ATOM 2668 O O . ALA C 1 63 ? -4.499 30.099 51.589 1.00 17.01 ? 63 ALA C O 1 +ATOM 2669 C CB . ALA C 1 63 ? -6.236 27.549 52.778 1.00 17.02 ? 63 ALA C CB 1 +ATOM 2670 N N . ASP C 1 64 ? -4.236 29.883 53.617 1.00 16.51 ? 64 ASP C N 1 +ATOM 2671 C CA . ASP C 1 64 ? -4.057 31.303 53.742 1.00 19.49 ? 64 ASP C CA 1 +ATOM 2672 C C . ASP C 1 64 ? -2.831 31.770 53.119 1.00 14.91 ? 64 ASP C C 1 +ATOM 2673 O O . ASP C 1 64 ? -2.747 32.786 52.503 1.00 19.95 ? 64 ASP C O 1 +ATOM 2674 C CB . ASP C 1 64 ? -4.185 31.736 55.280 1.00 24.76 ? 64 ASP C CB 1 +ATOM 2675 C CG . ASP C 1 64 ? -5.551 31.754 56.224 1.00 34.25 ? 64 ASP C CG 1 +ATOM 2676 O OD1 . ASP C 1 64 ? -6.413 31.417 55.564 1.00 28.85 ? 64 ASP C OD1 1 +ATOM 2677 O OD2 . ASP C 1 64 ? -5.168 31.654 57.218 1.00 27.13 ? 64 ASP C OD2 1 +ATOM 2678 N N . ALA C 1 65 ? -1.773 30.926 53.227 1.00 16.65 ? 65 ALA C N 1 +ATOM 2679 C CA . ALA C 1 65 ? -0.528 31.302 52.536 1.00 16.32 ? 65 ALA C CA 1 +ATOM 2680 C C . ALA C 1 65 ? -0.689 31.436 50.930 1.00 13.95 ? 65 ALA C C 1 +ATOM 2681 O O . ALA C 1 65 ? -0.333 32.281 50.186 1.00 16.33 ? 65 ALA C O 1 +ATOM 2682 C CB . ALA C 1 65 ? 0.470 30.251 52.620 1.00 16.15 ? 65 ALA C CB 1 +ATOM 2683 N N . LEU C 1 66 ? -1.697 30.499 50.348 1.00 17.13 ? 66 LEU C N 1 +ATOM 2684 C CA . LEU C 1 66 ? -2.065 30.439 48.927 1.00 13.55 ? 66 LEU C CA 1 +ATOM 2685 C C . LEU C 1 66 ? -2.841 31.631 48.590 1.00 14.32 ? 66 LEU C C 1 +ATOM 2686 O O . LEU C 1 66 ? -2.666 32.360 47.576 1.00 15.99 ? 66 LEU C O 1 +ATOM 2687 C CB . LEU C 1 66 ? -2.744 29.160 48.521 1.00 12.37 ? 66 LEU C CB 1 +ATOM 2688 C CG . LEU C 1 66 ? -1.704 27.929 48.478 1.00 14.22 ? 66 LEU C CG 1 +ATOM 2689 C CD1 . LEU C 1 66 ? -2.488 26.860 48.518 1.00 25.53 ? 66 LEU C CD1 1 +ATOM 2690 C CD2 . LEU C 1 66 ? -0.822 27.984 47.400 1.00 14.43 ? 66 LEU C CD2 1 +ATOM 2691 N N . THR C 1 67 ? -3.757 32.031 49.539 1.00 14.80 ? 67 THR C N 1 +ATOM 2692 C CA . THR C 1 67 ? -4.586 33.302 49.331 1.00 15.27 ? 67 THR C CA 1 +ATOM 2693 C C . THR C 1 67 ? -3.576 34.416 49.286 1.00 19.15 ? 67 THR C C 1 +ATOM 2694 O O . THR C 1 67 ? -3.756 35.264 48.398 1.00 21.53 ? 67 THR C O 1 +ATOM 2695 C CB . THR C 1 67 ? -5.506 33.327 50.606 1.00 13.22 ? 67 THR C CB 1 +ATOM 2696 O OG1 . THR C 1 67 ? -6.463 32.350 50.524 1.00 17.30 ? 67 THR C OG1 1 +ATOM 2697 C CG2 . THR C 1 67 ? -6.216 34.788 50.479 1.00 30.44 ? 67 THR C CG2 1 +ATOM 2698 N N . ASN C 1 68 ? -2.555 34.510 50.237 1.00 19.52 ? 68 ASN C N 1 +ATOM 2699 C CA . ASN C 1 68 ? -1.627 35.443 50.058 1.00 21.49 ? 68 ASN C CA 1 +ATOM 2700 C C . ASN C 1 68 ? -0.828 35.422 48.767 1.00 19.25 ? 68 ASN C C 1 +ATOM 2701 O O . ASN C 1 68 ? -0.410 36.683 48.126 1.00 22.73 ? 68 ASN C O 1 +ATOM 2702 C CB . ASN C 1 68 ? -0.748 35.427 51.279 1.00 16.47 ? 68 ASN C CB 1 +ATOM 2703 C CG . ASN C 1 68 ? 0.437 36.527 51.329 1.00 43.34 ? 68 ASN C CG 1 +ATOM 2704 O OD1 . ASN C 1 68 ? 0.400 37.382 51.002 1.00 49.22 ? 68 ASN C OD1 1 +ATOM 2705 N ND2 . ASN C 1 68 ? 1.865 36.112 51.739 1.00 50.67 ? 68 ASN C ND2 1 +ATOM 2706 N N . ALA C 1 69 ? -0.504 34.278 48.379 1.00 16.22 ? 69 ALA C N 1 +ATOM 2707 C CA . ALA C 1 69 ? 0.259 34.163 46.931 1.00 15.27 ? 69 ALA C CA 1 +ATOM 2708 C C . ALA C 1 69 ? -0.714 34.844 45.828 1.00 20.32 ? 69 ALA C C 1 +ATOM 2709 O O . ALA C 1 69 ? 0.001 35.361 44.937 1.00 22.38 ? 69 ALA C O 1 +ATOM 2710 C CB . ALA C 1 69 ? 0.666 32.749 46.769 1.00 15.52 ? 69 ALA C CB 1 +ATOM 2711 N N . VAL C 1 70 ? -1.927 34.331 45.895 1.00 18.62 ? 70 VAL C N 1 +ATOM 2712 C CA . VAL C 1 70 ? -2.964 34.974 44.745 1.00 21.72 ? 70 VAL C CA 1 +ATOM 2713 C C . VAL C 1 70 ? -2.916 36.702 44.954 1.00 33.94 ? 70 VAL C C 1 +ATOM 2714 O O . VAL C 1 70 ? -2.772 37.063 43.754 1.00 26.93 ? 70 VAL C O 1 +ATOM 2715 C CB . VAL C 1 70 ? -4.245 34.348 44.978 1.00 16.50 ? 70 VAL C CB 1 +ATOM 2716 C CG1 . VAL C 1 70 ? -5.101 34.914 43.930 1.00 19.06 ? 70 VAL C CG1 1 +ATOM 2717 C CG2 . VAL C 1 70 ? -4.240 32.837 44.692 1.00 16.14 ? 70 VAL C CG2 1 +ATOM 2718 N N . ALA C 1 71 ? -2.998 37.046 45.877 1.00 27.30 ? 71 ALA C N 1 +ATOM 2719 C CA . ALA C 1 71 ? -2.975 38.665 46.275 1.00 22.92 ? 71 ALA C CA 1 +ATOM 2720 C C . ALA C 1 71 ? -1.980 39.066 45.570 1.00 25.79 ? 71 ALA C C 1 +ATOM 2721 O O . ALA C 1 71 ? -1.732 40.323 45.271 1.00 24.88 ? 71 ALA C O 1 +ATOM 2722 C CB . ALA C 1 71 ? -3.349 38.894 47.479 1.00 26.73 ? 71 ALA C CB 1 +ATOM 2723 N N . HIS C 1 72 ? -0.734 38.591 45.606 1.00 25.11 ? 72 HIS C N 1 +ATOM 2724 C CA . HIS C 1 72 ? 0.467 38.729 45.190 1.00 31.54 ? 72 HIS C CA 1 +ATOM 2725 C C . HIS C 1 72 ? 1.149 38.415 44.263 1.00 23.73 ? 72 HIS C C 1 +ATOM 2726 O O . HIS C 1 72 ? 2.526 37.993 44.076 1.00 26.60 ? 72 HIS C O 1 +ATOM 2727 C CB . HIS C 1 72 ? 1.697 38.854 46.573 1.00 34.18 ? 72 HIS C CB 1 +ATOM 2728 C CG . HIS C 1 72 ? 1.215 39.460 47.510 1.00 46.84 ? 72 HIS C CG 1 +ATOM 2729 N ND1 . HIS C 1 72 ? 1.429 41.195 47.922 1.00 41.84 ? 72 HIS C ND1 1 +ATOM 2730 C CD2 . HIS C 1 72 ? 0.085 39.454 48.671 1.00 36.64 ? 72 HIS C CD2 1 +ATOM 2731 C CE1 . HIS C 1 72 ? 0.953 41.315 48.864 1.00 46.81 ? 72 HIS C CE1 1 +ATOM 2732 N NE2 . HIS C 1 72 ? 0.028 40.545 49.630 1.00 49.65 ? 72 HIS C NE2 1 +ATOM 2733 N N . VAL C 1 73 ? 0.382 37.854 43.241 1.00 19.28 ? 73 VAL C N 1 +ATOM 2734 C CA . VAL C 1 73 ? 0.868 37.050 42.293 1.00 19.45 ? 73 VAL C CA 1 +ATOM 2735 C C . VAL C 1 73 ? 2.226 37.610 41.462 1.00 29.84 ? 73 VAL C C 1 +ATOM 2736 O O . VAL C 1 73 ? 2.903 36.689 41.009 1.00 35.51 ? 73 VAL C O 1 +ATOM 2737 C CB . VAL C 1 73 ? -0.334 36.263 41.210 1.00 30.11 ? 73 VAL C CB 1 +ATOM 2738 C CG1 . VAL C 1 73 ? -0.817 37.529 40.871 1.00 33.72 ? 73 VAL C CG1 1 +ATOM 2739 C CG2 . VAL C 1 73 ? 0.274 35.077 40.729 1.00 28.74 ? 73 VAL C CG2 1 +ATOM 2740 N N . ASP C 1 74 ? 2.225 38.968 41.509 1.00 28.51 ? 74 ASP C N 1 +ATOM 2741 C CA . ASP C 1 74 ? 3.488 39.553 40.724 1.00 28.33 ? 74 ASP C CA 1 +ATOM 2742 C C . ASP C 1 74 ? 4.867 39.594 41.422 1.00 41.00 ? 74 ASP C C 1 +ATOM 2743 O O . ASP C 1 74 ? 5.472 40.117 40.994 1.00 39.68 ? 74 ASP C O 1 +ATOM 2744 C CB . ASP C 1 74 ? 2.869 40.877 40.194 1.00 34.16 ? 74 ASP C CB 1 +ATOM 2745 C CG . ASP C 1 74 ? 1.846 41.100 39.343 1.00 52.11 ? 74 ASP C CG 1 +ATOM 2746 O OD1 . ASP C 1 74 ? 1.459 40.193 38.190 1.00 41.95 ? 74 ASP C OD1 1 +ATOM 2747 O OD2 . ASP C 1 74 ? 0.818 41.596 39.286 1.00 57.27 ? 74 ASP C OD2 1 +ATOM 2748 N N . ASP C 1 75 ? 4.530 39.344 42.676 1.00 29.36 ? 75 ASP C N 1 +ATOM 2749 C CA . ASP C 1 75 ? 5.885 39.444 43.710 1.00 35.73 ? 75 ASP C CA 1 +ATOM 2750 C C . ASP C 1 75 ? 5.395 38.444 44.762 1.00 33.10 ? 75 ASP C C 1 +ATOM 2751 O O . ASP C 1 75 ? 5.862 38.605 45.862 1.00 33.04 ? 75 ASP C O 1 +ATOM 2752 C CB . ASP C 1 75 ? 5.626 40.888 44.363 1.00 60.97 ? 75 ASP C CB 1 +ATOM 2753 C CG . ASP C 1 75 ? 6.659 41.695 45.067 1.00 66.84 ? 75 ASP C CG 1 +ATOM 2754 O OD1 . ASP C 1 75 ? 7.831 41.449 44.621 1.00 48.92 ? 75 ASP C OD1 1 +ATOM 2755 O OD2 . ASP C 1 75 ? 5.778 41.915 46.066 1.00 62.98 ? 75 ASP C OD2 1 +ATOM 2756 N N . MET C 1 76 ? 5.509 37.013 44.084 1.00 27.58 ? 76 MET C N 1 +ATOM 2757 C CA . MET C 1 76 ? 5.590 35.936 45.135 1.00 27.89 ? 76 MET C CA 1 +ATOM 2758 C C . MET C 1 76 ? 6.688 35.707 45.849 1.00 27.58 ? 76 MET C C 1 +ATOM 2759 O O . MET C 1 76 ? 6.558 35.463 47.024 1.00 20.50 ? 76 MET C O 1 +ATOM 2760 C CB . MET C 1 76 ? 4.997 34.709 44.257 1.00 26.12 ? 76 MET C CB 1 +ATOM 2761 C CG . MET C 1 76 ? 3.522 34.862 44.023 1.00 43.36 ? 76 MET C CG 1 +ATOM 2762 S SD . MET C 1 76 ? 3.162 32.924 43.454 1.00 37.03 ? 76 MET C SD 1 +ATOM 2763 C CE . MET C 1 76 ? 3.949 32.921 42.030 1.00 44.39 ? 76 MET C CE 1 +ATOM 2764 N N . PRO C 1 77 ? 7.843 35.794 45.201 1.00 20.45 ? 77 PRO C N 1 +ATOM 2765 C CA . PRO C 1 77 ? 8.997 35.727 46.194 1.00 25.45 ? 77 PRO C CA 1 +ATOM 2766 C C . PRO C 1 77 ? 9.273 36.312 47.376 1.00 36.43 ? 77 PRO C C 1 +ATOM 2767 O O . PRO C 1 77 ? 9.598 35.903 48.495 1.00 30.57 ? 77 PRO C O 1 +ATOM 2768 C CB . PRO C 1 77 ? 10.181 35.844 45.094 1.00 26.13 ? 77 PRO C CB 1 +ATOM 2769 C CG . PRO C 1 77 ? 9.769 35.805 43.715 1.00 24.41 ? 77 PRO C CG 1 +ATOM 2770 C CD . PRO C 1 77 ? 8.272 36.272 43.940 1.00 18.39 ? 77 PRO C CD 1 +ATOM 2771 N N . ASN C 1 78 ? 8.931 37.605 47.478 1.00 27.78 ? 78 ASN C N 1 +ATOM 2772 C CA . ASN C 1 78 ? 8.609 38.419 48.607 1.00 53.47 ? 78 ASN C CA 1 +ATOM 2773 C C . ASN C 1 78 ? 7.967 38.184 49.523 1.00 25.06 ? 78 ASN C C 1 +ATOM 2774 O O . ASN C 1 78 ? 7.886 38.023 50.727 1.00 27.11 ? 78 ASN C O 1 +ATOM 2775 C CB . ASN C 1 78 ? 9.065 40.007 48.218 1.00 49.62 ? 78 ASN C CB 1 +ATOM 2776 C CG . ASN C 1 78 ? 9.222 41.034 49.645 1.00 27.09 ? 78 ASN C CG 1 +ATOM 2777 O OD1 . ASN C 1 78 ? 10.057 40.641 50.404 1.00 25.78 ? 78 ASN C OD1 1 +ATOM 2778 N ND2 . ASN C 1 78 ? 8.096 41.605 50.116 1.00 30.98 ? 78 ASN C ND2 1 +ATOM 2779 N N . ALA C 1 79 ? 6.568 38.027 49.002 1.00 21.32 ? 79 ALA C N 1 +ATOM 2780 C CA . ALA C 1 79 ? 5.525 37.695 49.876 1.00 21.47 ? 79 ALA C CA 1 +ATOM 2781 C C . ALA C 1 79 ? 5.612 36.303 50.715 1.00 24.81 ? 79 ALA C C 1 +ATOM 2782 O O . ALA C 1 79 ? 5.013 36.222 51.775 1.00 25.13 ? 79 ALA C O 1 +ATOM 2783 C CB . ALA C 1 79 ? 4.141 37.353 49.170 1.00 25.42 ? 79 ALA C CB 1 +ATOM 2784 N N . LEU C 1 80 ? 6.200 35.376 49.969 1.00 14.71 ? 80 LEU C N 1 +ATOM 2785 C CA . LEU C 1 80 ? 6.360 33.995 50.612 1.00 14.80 ? 80 LEU C CA 1 +ATOM 2786 C C . LEU C 1 80 ? 7.916 33.751 51.078 1.00 13.69 ? 80 LEU C C 1 +ATOM 2787 O O . LEU C 1 80 ? 8.155 32.670 51.532 1.00 17.02 ? 80 LEU C O 1 +ATOM 2788 C CB . LEU C 1 80 ? 6.213 32.969 49.595 1.00 23.31 ? 80 LEU C CB 1 +ATOM 2789 C CG . LEU C 1 80 ? 4.744 32.939 48.817 1.00 28.90 ? 80 LEU C CG 1 +ATOM 2790 C CD1 . LEU C 1 80 ? 4.636 31.790 47.883 1.00 22.59 ? 80 LEU C CD1 1 +ATOM 2791 C CD2 . LEU C 1 80 ? 3.876 32.793 49.926 1.00 28.24 ? 80 LEU C CD2 1 +ATOM 2792 N N . SER C 1 81 ? 8.637 34.957 51.321 1.00 15.20 ? 81 SER C N 1 +ATOM 2793 C CA . SER C 1 81 ? 10.118 34.769 51.745 1.00 16.69 ? 81 SER C CA 1 +ATOM 2794 C C . SER C 1 81 ? 10.171 34.025 53.099 1.00 15.66 ? 81 SER C C 1 +ATOM 2795 O O . SER C 1 81 ? 11.015 33.176 53.201 1.00 18.30 ? 81 SER C O 1 +ATOM 2796 C CB . SER C 1 81 ? 10.370 36.393 51.992 1.00 20.04 ? 81 SER C CB 1 +ATOM 2797 O OG . SER C 1 81 ? 11.885 36.133 51.935 1.00 27.86 ? 81 SER C OG 1 +ATOM 2798 N N . ALA C 1 82 ? 9.386 34.439 54.044 1.00 16.14 ? 82 ALA C N 1 +ATOM 2799 C CA . ALA C 1 82 ? 9.652 33.701 55.293 1.00 27.63 ? 82 ALA C CA 1 +ATOM 2800 C C . ALA C 1 82 ? 9.432 32.330 55.324 1.00 26.48 ? 82 ALA C C 1 +ATOM 2801 O O . ALA C 1 82 ? 9.785 31.358 55.981 1.00 22.53 ? 82 ALA C O 1 +ATOM 2802 C CB . ALA C 1 82 ? 8.850 34.409 56.391 1.00 26.01 ? 82 ALA C CB 1 +ATOM 2803 N N . LEU C 1 83 ? 8.152 31.833 54.342 1.00 16.69 ? 83 LEU C N 1 +ATOM 2804 C CA . LEU C 1 83 ? 7.896 30.456 54.448 1.00 11.24 ? 83 LEU C CA 1 +ATOM 2805 C C . LEU C 1 83 ? 8.856 29.779 53.416 1.00 14.18 ? 83 LEU C C 1 +ATOM 2806 O O . LEU C 1 83 ? 9.185 28.509 53.818 1.00 18.82 ? 83 LEU C O 1 +ATOM 2807 C CB . LEU C 1 83 ? 6.600 30.419 53.464 1.00 19.57 ? 83 LEU C CB 1 +ATOM 2808 C CG . LEU C 1 83 ? 5.369 30.425 54.513 1.00 31.08 ? 83 LEU C CG 1 +ATOM 2809 C CD1 . LEU C 1 83 ? 4.117 30.125 53.531 1.00 37.56 ? 83 LEU C CD1 1 +ATOM 2810 C CD2 . LEU C 1 83 ? 5.455 29.578 55.768 1.00 31.25 ? 83 LEU C CD2 1 +ATOM 2811 N N . SER C 1 84 ? 9.482 30.403 52.535 1.00 17.80 ? 84 SER C N 1 +ATOM 2812 C CA . SER C 1 84 ? 10.629 29.798 51.849 1.00 16.31 ? 84 SER C CA 1 +ATOM 2813 C C . SER C 1 84 ? 11.796 29.506 52.710 1.00 16.72 ? 84 SER C C 1 +ATOM 2814 O O . SER C 1 84 ? 12.511 28.523 52.756 1.00 20.08 ? 84 SER C O 1 +ATOM 2815 C CB . SER C 1 84 ? 11.633 30.458 50.520 1.00 25.74 ? 84 SER C CB 1 +ATOM 2816 O OG . SER C 1 84 ? 10.617 30.948 50.170 1.00 36.74 ? 84 SER C OG 1 +ATOM 2817 N N . ASP C 1 85 ? 12.093 30.572 53.672 1.00 14.56 ? 85 ASP C N 1 +ATOM 2818 C CA . ASP C 1 85 ? 13.100 30.213 54.746 1.00 16.51 ? 85 ASP C CA 1 +ATOM 2819 C C . ASP C 1 85 ? 12.859 29.115 55.613 1.00 12.46 ? 85 ASP C C 1 +ATOM 2820 O O . ASP C 1 85 ? 13.619 28.317 55.928 1.00 15.88 ? 85 ASP C O 1 +ATOM 2821 C CB . ASP C 1 85 ? 13.262 31.435 55.481 1.00 24.70 ? 85 ASP C CB 1 +ATOM 2822 C CG . ASP C 1 85 ? 13.998 32.536 54.769 1.00 34.11 ? 85 ASP C CG 1 +ATOM 2823 O OD1 . ASP C 1 85 ? 14.572 32.547 53.890 1.00 25.15 ? 85 ASP C OD1 1 +ATOM 2824 O OD2 . ASP C 1 85 ? 13.760 33.689 55.473 1.00 33.76 ? 85 ASP C OD2 1 +ATOM 2825 N N . LEU C 1 86 ? 11.448 29.029 55.948 1.00 12.70 ? 86 LEU C N 1 +ATOM 2826 C CA . LEU C 1 86 ? 11.064 28.076 56.832 1.00 16.53 ? 86 LEU C CA 1 +ATOM 2827 C C . LEU C 1 86 ? 11.267 26.602 56.520 1.00 14.13 ? 86 LEU C C 1 +ATOM 2828 O O . LEU C 1 86 ? 11.744 25.686 56.985 1.00 17.79 ? 86 LEU C O 1 +ATOM 2829 C CB . LEU C 1 86 ? 9.587 28.289 57.256 1.00 18.93 ? 86 LEU C CB 1 +ATOM 2830 C CG . LEU C 1 86 ? 8.993 27.495 58.443 1.00 29.36 ? 86 LEU C CG 1 +ATOM 2831 C CD1 . LEU C 1 86 ? 9.803 27.626 59.742 1.00 25.18 ? 86 LEU C CD1 1 +ATOM 2832 C CD2 . LEU C 1 86 ? 7.577 27.659 58.611 1.00 37.62 ? 86 LEU C CD2 1 +ATOM 2833 N N . HIS C 1 87 ? 10.837 26.530 55.161 1.00 15.64 ? 87 HIS C N 1 +ATOM 2834 C CA . HIS C 1 87 ? 10.746 25.173 54.651 1.00 15.27 ? 87 HIS C CA 1 +ATOM 2835 C C . HIS C 1 87 ? 12.425 24.652 54.183 1.00 11.96 ? 87 HIS C C 1 +ATOM 2836 O O . HIS C 1 87 ? 12.684 23.500 54.475 1.00 15.54 ? 87 HIS C O 1 +ATOM 2837 C CB . HIS C 1 87 ? 9.939 24.941 53.282 1.00 15.31 ? 87 HIS C CB 1 +ATOM 2838 C CG . HIS C 1 87 ? 8.455 25.010 53.631 1.00 12.16 ? 87 HIS C CG 1 +ATOM 2839 N ND1 . HIS C 1 87 ? 7.809 26.108 54.024 1.00 15.96 ? 87 HIS C ND1 1 +ATOM 2840 C CD2 . HIS C 1 87 ? 7.491 23.932 53.862 1.00 14.58 ? 87 HIS C CD2 1 +ATOM 2841 C CE1 . HIS C 1 87 ? 6.446 25.748 54.351 1.00 13.46 ? 87 HIS C CE1 1 +ATOM 2842 N NE2 . HIS C 1 87 ? 6.358 24.601 54.168 1.00 17.27 ? 87 HIS C NE2 1 +ATOM 2843 N N . ALA C 1 88 ? 13.128 25.779 53.770 1.00 14.25 ? 88 ALA C N 1 +ATOM 2844 C CA . ALA C 1 88 ? 14.424 25.541 53.419 1.00 15.37 ? 88 ALA C CA 1 +ATOM 2845 C C . ALA C 1 88 ? 15.369 24.911 54.659 1.00 19.72 ? 88 ALA C C 1 +ATOM 2846 O O . ALA C 1 88 ? 16.269 24.187 54.401 1.00 18.60 ? 88 ALA C O 1 +ATOM 2847 C CB . ALA C 1 88 ? 15.128 26.614 52.626 1.00 17.41 ? 88 ALA C CB 1 +ATOM 2848 N N . HIS C 1 89 ? 15.312 25.858 55.662 1.00 17.52 ? 89 HIS C N 1 +ATOM 2849 C CA . HIS C 1 89 ? 16.108 25.828 56.944 1.00 20.01 ? 89 HIS C CA 1 +ATOM 2850 C C . HIS C 1 89 ? 15.626 25.038 58.032 1.00 19.52 ? 89 HIS C C 1 +ATOM 2851 O O . HIS C 1 89 ? 16.552 24.515 58.765 1.00 22.69 ? 89 HIS C O 1 +ATOM 2852 C CB . HIS C 1 89 ? 16.708 27.283 57.158 1.00 26.82 ? 89 HIS C CB 1 +ATOM 2853 C CG . HIS C 1 89 ? 17.416 27.775 55.845 1.00 23.76 ? 89 HIS C CG 1 +ATOM 2854 N ND1 . HIS C 1 89 ? 18.429 27.194 55.146 1.00 28.14 ? 89 HIS C ND1 1 +ATOM 2855 C CD2 . HIS C 1 89 ? 17.017 28.929 55.440 1.00 25.55 ? 89 HIS C CD2 1 +ATOM 2856 C CE1 . HIS C 1 89 ? 18.333 28.062 54.262 1.00 32.36 ? 89 HIS C CE1 1 +ATOM 2857 N NE2 . HIS C 1 89 ? 17.821 29.133 54.211 1.00 29.26 ? 89 HIS C NE2 1 +ATOM 2858 N N . LYS C 1 90 ? 14.465 24.732 58.206 1.00 16.72 ? 90 LYS C N 1 +ATOM 2859 C CA . LYS C 1 90 ? 13.834 24.344 59.285 1.00 20.32 ? 90 LYS C CA 1 +ATOM 2860 C C . LYS C 1 90 ? 13.157 22.884 59.012 1.00 20.91 ? 90 LYS C C 1 +ATOM 2861 O O . LYS C 1 90 ? 13.569 21.761 59.394 1.00 23.22 ? 90 LYS C O 1 +ATOM 2862 C CB . LYS C 1 90 ? 13.156 25.174 60.278 1.00 20.81 ? 90 LYS C CB 1 +ATOM 2863 C CG . LYS C 1 90 ? 12.604 24.065 61.250 1.00 29.14 ? 90 LYS C CG 1 +ATOM 2864 C CD . LYS C 1 90 ? 11.672 25.465 62.126 1.00 67.74 ? 90 LYS C CD 1 +ATOM 2865 C CE . LYS C 1 90 ? 11.530 24.314 63.641 1.00 66.29 ? 90 LYS C CE 1 +ATOM 2866 N NZ . LYS C 1 90 ? 11.982 25.980 64.771 1.00 56.99 ? 90 LYS C NZ 1 +ATOM 2867 N N . LEU C 1 91 ? 11.960 22.979 58.221 1.00 13.37 ? 91 LEU C N 1 +ATOM 2868 C CA . LEU C 1 91 ? 11.199 21.743 57.916 1.00 10.47 ? 91 LEU C CA 1 +ATOM 2869 C C . LEU C 1 91 ? 12.003 20.807 57.005 1.00 15.87 ? 91 LEU C C 1 +ATOM 2870 O O . LEU C 1 91 ? 11.885 19.655 57.161 1.00 17.45 ? 91 LEU C O 1 +ATOM 2871 C CB . LEU C 1 91 ? 9.910 22.430 57.324 1.00 11.80 ? 91 LEU C CB 1 +ATOM 2872 C CG . LEU C 1 91 ? 9.330 23.372 58.169 1.00 14.59 ? 91 LEU C CG 1 +ATOM 2873 C CD1 . LEU C 1 91 ? 8.038 23.895 57.411 1.00 18.31 ? 91 LEU C CD1 1 +ATOM 2874 C CD2 . LEU C 1 91 ? 8.831 22.522 59.350 1.00 19.42 ? 91 LEU C CD2 1 +ATOM 2875 N N . ARG C 1 92 ? 12.593 21.341 55.914 1.00 17.30 ? 92 ARG C N 1 +ATOM 2876 C CA . ARG C 1 92 ? 13.509 20.619 55.120 1.00 16.69 ? 92 ARG C CA 1 +ATOM 2877 C C . ARG C 1 92 ? 12.834 19.342 54.438 1.00 18.80 ? 92 ARG C C 1 +ATOM 2878 O O . ARG C 1 92 ? 13.165 18.365 54.335 1.00 19.26 ? 92 ARG C O 1 +ATOM 2879 C CB . ARG C 1 92 ? 14.738 20.166 55.937 1.00 13.64 ? 92 ARG C CB 1 +ATOM 2880 C CG . ARG C 1 92 ? 15.688 21.358 55.981 1.00 14.42 ? 92 ARG C CG 1 +ATOM 2881 C CD . ARG C 1 92 ? 16.829 21.078 56.977 1.00 27.16 ? 92 ARG C CD 1 +ATOM 2882 N NE . ARG C 1 92 ? 17.564 21.770 56.604 1.00 44.94 ? 92 ARG C NE 1 +ATOM 2883 C CZ . ARG C 1 92 ? 18.480 21.111 59.346 1.00 38.22 ? 92 ARG C CZ 1 +ATOM 2884 N NH1 . ARG C 1 92 ? 16.729 21.065 59.997 1.00 33.94 ? 92 ARG C NH1 1 +ATOM 2885 N NH2 . ARG C 1 92 ? 18.734 21.606 58.537 1.00 48.21 ? 92 ARG C NH2 1 +ATOM 2886 N N . VAL C 1 93 ? 11.538 19.751 53.894 1.00 13.36 ? 93 VAL C N 1 +ATOM 2887 C CA . VAL C 1 93 ? 10.712 18.740 53.156 1.00 14.31 ? 93 VAL C CA 1 +ATOM 2888 C C . VAL C 1 93 ? 11.315 18.588 51.756 1.00 12.63 ? 93 VAL C C 1 +ATOM 2889 O O . VAL C 1 93 ? 11.579 19.505 50.967 1.00 14.78 ? 93 VAL C O 1 +ATOM 2890 C CB . VAL C 1 93 ? 9.298 19.482 52.944 1.00 8.72 ? 93 VAL C CB 1 +ATOM 2891 C CG1 . VAL C 1 93 ? 8.421 18.612 52.058 1.00 14.83 ? 93 VAL C CG1 1 +ATOM 2892 C CG2 . VAL C 1 93 ? 8.779 19.770 54.303 1.00 15.34 ? 93 VAL C CG2 1 +ATOM 2893 N N . ASP C 1 94 ? 11.452 17.326 51.402 1.00 14.84 ? 94 ASP C N 1 +ATOM 2894 C CA . ASP C 1 94 ? 11.938 17.096 50.160 1.00 17.19 ? 94 ASP C CA 1 +ATOM 2895 C C . ASP C 1 94 ? 11.101 17.682 49.011 1.00 13.94 ? 94 ASP C C 1 +ATOM 2896 O O . ASP C 1 94 ? 9.902 17.524 49.052 1.00 13.55 ? 94 ASP C O 1 +ATOM 2897 C CB . ASP C 1 94 ? 12.158 15.544 49.790 1.00 19.19 ? 94 ASP C CB 1 +ATOM 2898 C CG . ASP C 1 94 ? 13.118 15.221 48.591 1.00 25.98 ? 94 ASP C CG 1 +ATOM 2899 O OD1 . ASP C 1 94 ? 14.178 15.051 48.683 1.00 23.44 ? 94 ASP C OD1 1 +ATOM 2900 O OD2 . ASP C 1 94 ? 12.454 15.350 47.423 1.00 20.10 ? 94 ASP C OD2 1 +ATOM 2901 N N . PRO C 1 95 ? 11.830 18.304 48.068 1.00 13.43 ? 95 PRO C N 1 +ATOM 2902 C CA . PRO C 1 95 ? 10.996 19.018 46.888 1.00 16.10 ? 95 PRO C CA 1 +ATOM 2903 C C . PRO C 1 95 ? 10.224 18.168 46.192 1.00 11.12 ? 95 PRO C C 1 +ATOM 2904 O O . PRO C 1 95 ? 9.068 18.760 45.798 1.00 14.55 ? 95 PRO C O 1 +ATOM 2905 C CB . PRO C 1 95 ? 12.085 19.500 46.035 1.00 19.09 ? 95 PRO C CB 1 +ATOM 2906 C CG . PRO C 1 95 ? 13.094 19.636 46.885 1.00 18.28 ? 95 PRO C CG 1 +ATOM 2907 C CD . PRO C 1 95 ? 13.251 18.567 47.906 1.00 15.64 ? 95 PRO C CD 1 +ATOM 2908 N N . VAL C 1 96 ? 10.140 16.784 46.061 1.00 15.60 ? 96 VAL C N 1 +ATOM 2909 C CA . VAL C 1 96 ? 9.246 15.972 45.364 1.00 13.24 ? 96 VAL C CA 1 +ATOM 2910 C C . VAL C 1 96 ? 7.869 16.060 45.968 1.00 11.50 ? 96 VAL C C 1 +ATOM 2911 O O . VAL C 1 96 ? 6.766 15.959 45.278 1.00 13.19 ? 96 VAL C O 1 +ATOM 2912 C CB . VAL C 1 96 ? 9.748 14.492 45.448 1.00 20.64 ? 96 VAL C CB 1 +ATOM 2913 C CG1 . VAL C 1 96 ? 11.097 14.613 44.875 1.00 37.75 ? 96 VAL C CG1 1 +ATOM 2914 C CG2 . VAL C 1 96 ? 9.660 13.703 46.544 1.00 28.85 ? 96 VAL C CG2 1 +ATOM 2915 N N . ASN C 1 97 ? 7.721 16.361 47.299 1.00 9.54 ? 97 ASN C N 1 +ATOM 2916 C CA . ASN C 1 97 ? 6.477 16.380 47.914 1.00 11.68 ? 97 ASN C CA 1 +ATOM 2917 C C . ASN C 1 97 ? 5.596 17.457 47.476 1.00 9.63 ? 97 ASN C C 1 +ATOM 2918 O O . ASN C 1 97 ? 4.322 17.366 47.757 1.00 9.95 ? 97 ASN C O 1 +ATOM 2919 C CB . ASN C 1 97 ? 6.746 16.339 49.271 1.00 13.42 ? 97 ASN C CB 1 +ATOM 2920 C CG . ASN C 1 97 ? 7.408 15.010 49.836 1.00 14.06 ? 97 ASN C CG 1 +ATOM 2921 O OD1 . ASN C 1 97 ? 6.812 13.835 49.789 1.00 8.45 ? 97 ASN C OD1 1 +ATOM 2922 N ND2 . ASN C 1 97 ? 8.678 15.082 50.104 1.00 18.92 ? 97 ASN C ND2 1 +ATOM 2923 N N . PHE C 1 98 ? 6.158 18.530 47.091 1.00 11.20 ? 98 PHE C N 1 +ATOM 2924 C CA . PHE C 1 98 ? 5.465 19.706 46.666 1.00 10.00 ? 98 PHE C CA 1 +ATOM 2925 C C . PHE C 1 98 ? 4.407 19.340 45.460 1.00 12.29 ? 98 PHE C C 1 +ATOM 2926 O O . PHE C 1 98 ? 3.261 19.812 45.454 1.00 11.85 ? 98 PHE C O 1 +ATOM 2927 C CB . PHE C 1 98 ? 6.221 20.972 46.362 1.00 11.84 ? 98 PHE C CB 1 +ATOM 2928 C CG . PHE C 1 98 ? 6.937 21.463 47.656 1.00 10.85 ? 98 PHE C CG 1 +ATOM 2929 C CD1 . PHE C 1 98 ? 6.300 22.484 48.369 1.00 20.50 ? 98 PHE C CD1 1 +ATOM 2930 C CD2 . PHE C 1 98 ? 7.951 20.865 48.164 1.00 15.66 ? 98 PHE C CD2 1 +ATOM 2931 C CE1 . PHE C 1 98 ? 6.698 23.019 49.537 1.00 25.62 ? 98 PHE C CE1 1 +ATOM 2932 C CE2 . PHE C 1 98 ? 8.301 21.552 49.424 1.00 23.17 ? 98 PHE C CE2 1 +ATOM 2933 C CZ . PHE C 1 98 ? 7.862 22.617 50.141 1.00 16.17 ? 98 PHE C CZ 1 +ATOM 2934 N N . LYS C 1 99 ? 4.960 18.468 44.643 1.00 12.40 ? 99 LYS C N 1 +ATOM 2935 C CA . LYS C 1 99 ? 4.086 18.035 43.543 1.00 16.89 ? 99 LYS C CA 1 +ATOM 2936 C C . LYS C 1 99 ? 2.784 17.449 43.881 1.00 16.36 ? 99 LYS C C 1 +ATOM 2937 O O . LYS C 1 99 ? 1.848 17.341 43.293 1.00 12.00 ? 99 LYS C O 1 +ATOM 2938 C CB . LYS C 1 99 ? 4.955 17.342 42.343 1.00 37.75 ? 99 LYS C CB 1 +ATOM 2939 C CG . LYS C 1 99 ? 5.174 16.640 42.279 1.00 60.42 ? 99 LYS C CG 1 +ATOM 2940 C CD . LYS C 1 99 ? 6.092 15.824 40.934 1.00 80.12 ? 99 LYS C CD 1 +ATOM 2941 C CE . LYS C 1 99 ? 5.178 13.849 41.548 1.00 54.41 ? 99 LYS C CE 1 +ATOM 2942 N NZ . LYS C 1 99 ? 6.043 12.581 41.219 1.00 73.17 ? 99 LYS C NZ 1 +ATOM 2943 N N . LEU C 1 100 ? 3.148 16.575 44.955 1.00 11.58 ? 100 LEU C N 1 +ATOM 2944 C CA . LEU C 1 100 ? 2.119 15.611 45.595 1.00 10.08 ? 100 LEU C CA 1 +ATOM 2945 C C . LEU C 1 100 ? 1.020 16.499 46.129 1.00 15.81 ? 100 LEU C C 1 +ATOM 2946 O O . LEU C 1 100 ? -0.161 16.244 45.902 1.00 12.64 ? 100 LEU C O 1 +ATOM 2947 C CB . LEU C 1 100 ? 2.753 14.528 46.440 1.00 11.52 ? 100 LEU C CB 1 +ATOM 2948 C CG . LEU C 1 100 ? 3.848 13.813 45.983 1.00 12.29 ? 100 LEU C CG 1 +ATOM 2949 C CD1 . LEU C 1 100 ? 4.308 12.786 46.984 1.00 13.43 ? 100 LEU C CD1 1 +ATOM 2950 C CD2 . LEU C 1 100 ? 3.435 13.174 44.764 1.00 20.82 ? 100 LEU C CD2 1 +ATOM 2951 N N . LEU C 1 101 ? 1.389 17.493 46.966 1.00 9.97 ? 101 LEU C N 1 +ATOM 2952 C CA . LEU C 1 101 ? 0.303 18.207 47.579 1.00 11.48 ? 101 LEU C CA 1 +ATOM 2953 C C . LEU C 1 101 ? -0.403 19.108 46.409 1.00 15.63 ? 101 LEU C C 1 +ATOM 2954 O O . LEU C 1 101 ? -1.613 19.226 46.568 1.00 14.14 ? 101 LEU C O 1 +ATOM 2955 C CB . LEU C 1 101 ? 0.919 19.253 48.600 1.00 14.89 ? 101 LEU C CB 1 +ATOM 2956 C CG . LEU C 1 101 ? 0.010 20.153 49.167 1.00 22.22 ? 101 LEU C CG 1 +ATOM 2957 C CD1 . LEU C 1 101 ? -1.249 19.367 49.738 1.00 22.49 ? 101 LEU C CD1 1 +ATOM 2958 C CD2 . LEU C 1 101 ? 0.632 20.912 50.281 1.00 23.89 ? 101 LEU C CD2 1 +ATOM 2959 N N . SER C 1 102 ? 0.350 19.583 45.409 1.00 13.80 ? 102 SER C N 1 +ATOM 2960 C CA . SER C 1 102 ? -0.254 20.469 44.437 1.00 7.27 ? 102 SER C CA 1 +ATOM 2961 C C . SER C 1 102 ? -1.281 19.505 43.715 1.00 8.13 ? 102 SER C C 1 +ATOM 2962 O O . SER C 1 102 ? -2.395 20.144 43.427 1.00 14.48 ? 102 SER C O 1 +ATOM 2963 C CB . SER C 1 102 ? 0.852 20.834 43.461 1.00 12.53 ? 102 SER C CB 1 +ATOM 2964 O OG . SER C 1 102 ? 1.766 21.783 44.015 1.00 16.99 ? 102 SER C OG 1 +ATOM 2965 N N . HIS C 1 103 ? -0.971 18.289 43.358 1.00 9.47 ? 103 HIS C N 1 +ATOM 2966 C CA . HIS C 1 103 ? -1.998 17.473 42.647 1.00 7.87 ? 103 HIS C CA 1 +ATOM 2967 C C . HIS C 1 103 ? -3.098 17.345 43.514 1.00 9.96 ? 103 HIS C C 1 +ATOM 2968 O O . HIS C 1 103 ? -4.313 17.375 43.052 1.00 11.06 ? 103 HIS C O 1 +ATOM 2969 C CB . HIS C 1 103 ? -1.401 16.127 42.490 1.00 13.28 ? 103 HIS C CB 1 +ATOM 2970 C CG . HIS C 1 103 ? -2.249 15.127 41.871 1.00 12.69 ? 103 HIS C CG 1 +ATOM 2971 N ND1 . HIS C 1 103 ? -2.654 13.891 42.776 1.00 13.59 ? 103 HIS C ND1 1 +ATOM 2972 C CD2 . HIS C 1 103 ? -2.926 15.085 40.776 1.00 11.80 ? 103 HIS C CD2 1 +ATOM 2973 C CE1 . HIS C 1 103 ? -3.485 13.297 41.750 1.00 18.03 ? 103 HIS C CE1 1 +ATOM 2974 N NE2 . HIS C 1 103 ? -3.703 13.879 40.535 1.00 12.75 ? 103 HIS C NE2 1 +ATOM 2975 N N . CYS C 1 104 ? -3.053 17.083 44.815 1.00 11.32 ? 104 CYS C N 1 +ATOM 2976 C CA . CYS C 1 104 ? -4.179 16.941 45.851 1.00 10.36 ? 104 CYS C CA 1 +ATOM 2977 C C . CYS C 1 104 ? -5.004 18.267 45.893 1.00 10.40 ? 104 CYS C C 1 +ATOM 2978 O O . CYS C 1 104 ? -6.231 18.125 46.088 1.00 13.45 ? 104 CYS C O 1 +ATOM 2979 C CB . CYS C 1 104 ? -3.766 16.377 47.166 1.00 10.60 ? 104 CYS C CB 1 +ATOM 2980 S SG . CYS C 1 104 ? -3.115 14.679 47.003 1.00 14.84 ? 104 CYS C SG 1 +ATOM 2981 N N . LEU C 1 105 ? -4.306 19.356 45.843 1.00 7.19 ? 105 LEU C N 1 +ATOM 2982 C CA . LEU C 1 105 ? -5.085 20.449 45.809 1.00 7.94 ? 105 LEU C CA 1 +ATOM 2983 C C . LEU C 1 105 ? -5.912 20.552 44.514 1.00 12.20 ? 105 LEU C C 1 +ATOM 2984 O O . LEU C 1 105 ? -7.090 21.066 44.613 1.00 10.34 ? 105 LEU C O 1 +ATOM 2985 C CB . LEU C 1 105 ? -4.202 21.664 45.904 1.00 21.49 ? 105 LEU C CB 1 +ATOM 2986 C CG . LEU C 1 105 ? -4.625 22.955 46.383 1.00 44.61 ? 105 LEU C CG 1 +ATOM 2987 C CD1 . LEU C 1 105 ? -4.563 22.839 48.167 1.00 29.90 ? 105 LEU C CD1 1 +ATOM 2988 C CD2 . LEU C 1 105 ? -2.601 23.530 46.634 1.00 67.41 ? 105 LEU C CD2 1 +ATOM 2989 N N . LEU C 1 106 ? -5.249 20.342 43.470 1.00 12.01 ? 106 LEU C N 1 +ATOM 2990 C CA . LEU C 1 106 ? -6.190 20.220 42.204 1.00 11.59 ? 106 LEU C CA 1 +ATOM 2991 C C . LEU C 1 106 ? -7.255 19.431 42.339 1.00 13.18 ? 106 LEU C C 1 +ATOM 2992 O O . LEU C 1 106 ? -8.344 19.865 41.835 1.00 13.67 ? 106 LEU C O 1 +ATOM 2993 C CB . LEU C 1 106 ? -5.266 20.087 40.885 1.00 15.01 ? 106 LEU C CB 1 +ATOM 2994 C CG . LEU C 1 106 ? -4.403 21.055 40.323 1.00 26.98 ? 106 LEU C CG 1 +ATOM 2995 C CD1 . LEU C 1 106 ? -3.674 20.399 39.338 1.00 27.15 ? 106 LEU C CD1 1 +ATOM 2996 C CD2 . LEU C 1 106 ? -4.971 22.437 40.008 1.00 28.82 ? 106 LEU C CD2 1 +ATOM 2997 N N . VAL C 1 107 ? -7.225 18.240 42.735 1.00 9.69 ? 107 VAL C N 1 +ATOM 2998 C CA . VAL C 1 107 ? -8.097 17.151 42.999 1.00 13.59 ? 107 VAL C CA 1 +ATOM 2999 C C . VAL C 1 107 ? -9.334 17.761 43.796 1.00 17.84 ? 107 VAL C C 1 +ATOM 3000 O O . VAL C 1 107 ? -10.605 17.851 43.570 1.00 16.17 ? 107 VAL C O 1 +ATOM 3001 C CB . VAL C 1 107 ? -7.686 15.819 43.488 1.00 6.66 ? 107 VAL C CB 1 +ATOM 3002 C CG1 . VAL C 1 107 ? -8.867 15.071 43.857 1.00 10.41 ? 107 VAL C CG1 1 +ATOM 3003 C CG2 . VAL C 1 107 ? -6.824 15.228 42.429 1.00 9.95 ? 107 VAL C CG2 1 +ATOM 3004 N N . THR C 1 108 ? -8.969 18.530 44.900 1.00 12.50 ? 108 THR C N 1 +ATOM 3005 C CA . THR C 1 108 ? -9.983 19.048 45.826 1.00 12.00 ? 108 THR C CA 1 +ATOM 3006 C C . THR C 1 108 ? -10.703 20.192 45.053 1.00 8.53 ? 108 THR C C 1 +ATOM 3007 O O . THR C 1 108 ? -11.945 20.338 45.325 1.00 13.95 ? 108 THR C O 1 +ATOM 3008 C CB . THR C 1 108 ? -9.141 19.631 47.079 1.00 10.15 ? 108 THR C CB 1 +ATOM 3009 O OG1 . THR C 1 108 ? -8.397 18.582 47.585 1.00 10.65 ? 108 THR C OG1 1 +ATOM 3010 C CG2 . THR C 1 108 ? -10.079 20.284 48.088 1.00 9.30 ? 108 THR C CG2 1 +ATOM 3011 N N . LEU C 1 109 ? -10.021 21.063 44.371 1.00 9.01 ? 109 LEU C N 1 +ATOM 3012 C CA . LEU C 1 109 ? -10.721 22.186 43.590 1.00 9.31 ? 109 LEU C CA 1 +ATOM 3013 C C . LEU C 1 109 ? -11.750 21.501 42.850 1.00 15.85 ? 109 LEU C C 1 +ATOM 3014 O O . LEU C 1 109 ? -12.733 22.037 42.548 1.00 14.26 ? 109 LEU C O 1 +ATOM 3015 C CB . LEU C 1 109 ? -9.635 23.068 43.064 1.00 11.02 ? 109 LEU C CB 1 +ATOM 3016 C CG . LEU C 1 109 ? -8.837 24.041 43.987 1.00 19.91 ? 109 LEU C CG 1 +ATOM 3017 C CD1 . LEU C 1 109 ? -7.614 24.623 43.185 1.00 29.96 ? 109 LEU C CD1 1 +ATOM 3018 C CD2 . LEU C 1 109 ? -9.618 24.633 44.864 1.00 27.29 ? 109 LEU C CD2 1 +ATOM 3019 N N . ALA C 1 110 ? -11.190 20.497 41.906 1.00 14.51 ? 110 ALA C N 1 +ATOM 3020 C CA . ALA C 1 110 ? -12.000 19.763 40.820 1.00 13.69 ? 110 ALA C CA 1 +ATOM 3021 C C . ALA C 1 110 ? -13.227 19.487 41.499 1.00 24.66 ? 110 ALA C C 1 +ATOM 3022 O O . ALA C 1 110 ? -14.452 19.395 40.917 1.00 18.31 ? 110 ALA C O 1 +ATOM 3023 C CB . ALA C 1 110 ? -11.178 18.668 40.227 1.00 13.14 ? 110 ALA C CB 1 +ATOM 3024 N N . ALA C 1 111 ? -13.205 18.738 42.734 1.00 17.30 ? 111 ALA C N 1 +ATOM 3025 C CA . ALA C 1 111 ? -14.305 18.098 43.459 1.00 14.98 ? 111 ALA C CA 1 +ATOM 3026 C C . ALA C 1 111 ? -15.388 19.256 43.865 1.00 17.59 ? 111 ALA C C 1 +ATOM 3027 O O . ALA C 1 111 ? -16.435 18.699 44.301 1.00 18.70 ? 111 ALA C O 1 +ATOM 3028 C CB . ALA C 1 111 ? -13.757 17.297 44.599 1.00 14.01 ? 111 ALA C CB 1 +ATOM 3029 N N . HIS C 1 112 ? -14.920 20.402 44.183 1.00 17.57 ? 112 HIS C N 1 +ATOM 3030 C CA . HIS C 1 112 ? -15.737 21.504 44.746 1.00 17.81 ? 112 HIS C CA 1 +ATOM 3031 C C . HIS C 1 112 ? -16.096 22.400 43.670 1.00 23.35 ? 112 HIS C C 1 +ATOM 3032 O O . HIS C 1 112 ? -16.998 23.288 44.028 1.00 25.70 ? 112 HIS C O 1 +ATOM 3033 C CB . HIS C 1 112 ? -15.023 22.204 45.947 1.00 19.09 ? 112 HIS C CB 1 +ATOM 3034 C CG . HIS C 1 112 ? -15.204 21.354 46.928 1.00 25.33 ? 112 HIS C CG 1 +ATOM 3035 N ND1 . HIS C 1 112 ? -13.894 20.338 47.579 1.00 35.05 ? 112 HIS C ND1 1 +ATOM 3036 C CD2 . HIS C 1 112 ? -15.975 21.063 48.048 1.00 26.57 ? 112 HIS C CD2 1 +ATOM 3037 C CE1 . HIS C 1 112 ? -14.311 19.789 48.608 1.00 18.65 ? 112 HIS C CE1 1 +ATOM 3038 N NE2 . HIS C 1 112 ? -15.592 20.178 48.970 1.00 32.92 ? 112 HIS C NE2 1 +ATOM 3039 N N . LEU C 1 113 ? -15.607 22.765 42.674 1.00 23.20 ? 113 LEU C N 1 +ATOM 3040 C CA . LEU C 1 113 ? -15.750 23.678 41.562 1.00 19.73 ? 113 LEU C CA 1 +ATOM 3041 C C . LEU C 1 113 ? -16.154 22.871 40.174 1.00 24.44 ? 113 LEU C C 1 +ATOM 3042 O O . LEU C 1 113 ? -15.491 23.502 39.415 1.00 27.49 ? 113 LEU C O 1 +ATOM 3043 C CB . LEU C 1 113 ? -14.636 24.396 41.453 1.00 30.36 ? 113 LEU C CB 1 +ATOM 3044 C CG . LEU C 1 113 ? -14.383 25.240 42.521 1.00 29.78 ? 113 LEU C CG 1 +ATOM 3045 C CD1 . LEU C 1 113 ? -12.972 25.848 41.684 1.00 35.69 ? 113 LEU C CD1 1 +ATOM 3046 C CD2 . LEU C 1 113 ? -15.127 25.868 43.248 1.00 47.79 ? 113 LEU C CD2 1 +ATOM 3047 N N . PRO C 1 114 ? -17.265 22.369 40.000 1.00 23.63 ? 114 PRO C N 1 +ATOM 3048 C CA . PRO C 1 114 ? -17.949 21.304 38.835 1.00 26.62 ? 114 PRO C CA 1 +ATOM 3049 C C . PRO C 1 114 ? -18.017 22.689 37.529 1.00 35.32 ? 114 PRO C C 1 +ATOM 3050 O O . PRO C 1 114 ? -16.877 22.781 36.754 1.00 38.93 ? 114 PRO C O 1 +ATOM 3051 C CB . PRO C 1 114 ? -18.747 20.609 39.624 1.00 32.82 ? 114 PRO C CB 1 +ATOM 3052 C CG . PRO C 1 114 ? -19.527 21.928 40.236 1.00 48.45 ? 114 PRO C CG 1 +ATOM 3053 C CD . PRO C 1 114 ? -18.255 22.329 41.244 1.00 44.41 ? 114 PRO C CD 1 +ATOM 3054 N N . ALA C 1 115 ? -18.236 23.897 37.893 1.00 34.13 ? 115 ALA C N 1 +ATOM 3055 C CA . ALA C 1 115 ? -18.263 24.805 36.982 1.00 25.13 ? 115 ALA C CA 1 +ATOM 3056 C C . ALA C 1 115 ? -17.257 25.386 36.630 1.00 23.70 ? 115 ALA C C 1 +ATOM 3057 O O . ALA C 1 115 ? -16.911 25.875 35.442 1.00 28.59 ? 115 ALA C O 1 +ATOM 3058 C CB . ALA C 1 115 ? -19.556 25.912 36.885 1.00 49.66 ? 115 ALA C CB 1 +ATOM 3059 N N . GLU C 1 116 ? -16.279 25.750 37.456 1.00 19.87 ? 116 GLU C N 1 +ATOM 3060 C CA . GLU C 1 116 ? -15.153 26.784 37.211 1.00 15.46 ? 116 GLU C CA 1 +ATOM 3061 C C . GLU C 1 116 ? -13.830 25.965 36.929 1.00 17.63 ? 116 GLU C C 1 +ATOM 3062 O O . GLU C 1 116 ? -13.118 26.633 36.106 1.00 21.65 ? 116 GLU C O 1 +ATOM 3063 C CB . GLU C 1 116 ? -14.616 27.106 38.724 1.00 24.21 ? 116 GLU C CB 1 +ATOM 3064 C CG . GLU C 1 116 ? -16.453 26.925 40.151 1.00 64.07 ? 116 GLU C CG 1 +ATOM 3065 C CD . GLU C 1 116 ? -16.755 28.239 39.591 1.00 64.09 ? 116 GLU C CD 1 +ATOM 3066 O OE1 . GLU C 1 116 ? -16.540 28.897 38.702 1.00 59.54 ? 116 GLU C OE1 1 +ATOM 3067 O OE2 . GLU C 1 116 ? -18.076 27.960 40.124 1.00 58.51 ? 116 GLU C OE2 1 +ATOM 3068 N N . PHE C 1 117 ? -13.803 24.773 37.165 1.00 18.06 ? 117 PHE C N 1 +ATOM 3069 C CA . PHE C 1 117 ? -12.670 23.867 36.690 1.00 15.96 ? 117 PHE C CA 1 +ATOM 3070 C C . PHE C 1 117 ? -12.602 23.420 35.266 1.00 17.62 ? 117 PHE C C 1 +ATOM 3071 O O . PHE C 1 117 ? -12.658 22.272 35.046 1.00 20.40 ? 117 PHE C O 1 +ATOM 3072 C CB . PHE C 1 117 ? -12.528 22.764 37.675 1.00 11.69 ? 117 PHE C CB 1 +ATOM 3073 C CG . PHE C 1 117 ? -11.295 22.061 37.911 1.00 15.94 ? 117 PHE C CG 1 +ATOM 3074 C CD1 . PHE C 1 117 ? -10.159 22.819 38.505 1.00 20.23 ? 117 PHE C CD1 1 +ATOM 3075 C CD2 . PHE C 1 117 ? -10.917 20.801 37.387 1.00 18.29 ? 117 PHE C CD2 1 +ATOM 3076 C CE1 . PHE C 1 117 ? -8.741 22.092 38.633 1.00 21.74 ? 117 PHE C CE1 1 +ATOM 3077 C CE2 . PHE C 1 117 ? -9.620 20.189 37.310 1.00 15.69 ? 117 PHE C CE2 1 +ATOM 3078 C CZ . PHE C 1 117 ? -8.682 20.937 38.034 1.00 19.08 ? 117 PHE C CZ 1 +ATOM 3079 N N . THR C 1 118 ? -12.541 24.446 34.352 1.00 16.36 ? 118 THR C N 1 +ATOM 3080 C CA . THR C 1 118 ? -12.556 23.963 32.992 1.00 24.73 ? 118 THR C CA 1 +ATOM 3081 C C . THR C 1 118 ? -11.037 23.565 32.516 1.00 20.24 ? 118 THR C C 1 +ATOM 3082 O O . THR C 1 118 ? -10.190 23.699 33.492 1.00 17.57 ? 118 THR C O 1 +ATOM 3083 C CB . THR C 1 118 ? -12.591 25.531 32.213 1.00 24.50 ? 118 THR C CB 1 +ATOM 3084 O OG1 . THR C 1 118 ? -13.952 26.016 32.475 1.00 43.24 ? 118 THR C OG1 1 +ATOM 3085 C CG2 . THR C 1 118 ? -11.854 26.358 32.302 1.00 20.86 ? 118 THR C CG2 1 +ATOM 3086 N N . PRO C 1 119 ? -10.961 23.143 31.538 1.00 16.01 ? 119 PRO C N 1 +ATOM 3087 C CA . PRO C 1 119 ? -9.582 22.807 31.012 1.00 19.05 ? 119 PRO C CA 1 +ATOM 3088 C C . PRO C 1 119 ? -8.631 23.935 31.277 1.00 19.72 ? 119 PRO C C 1 +ATOM 3089 O O . PRO C 1 119 ? -7.446 23.742 31.618 1.00 14.74 ? 119 PRO C O 1 +ATOM 3090 C CB . PRO C 1 119 ? -9.692 22.227 29.678 1.00 21.12 ? 119 PRO C CB 1 +ATOM 3091 C CG . PRO C 1 119 ? -11.223 21.633 29.570 1.00 19.58 ? 119 PRO C CG 1 +ATOM 3092 C CD . PRO C 1 119 ? -12.100 22.575 30.516 1.00 19.86 ? 119 PRO C CD 1 +ATOM 3093 N N . ALA C 1 120 ? -8.952 25.114 30.710 1.00 19.86 ? 120 ALA C N 1 +ATOM 3094 C CA . ALA C 1 120 ? -8.065 26.179 30.730 1.00 18.74 ? 120 ALA C CA 1 +ATOM 3095 C C . ALA C 1 120 ? -7.747 26.631 32.181 1.00 10.87 ? 120 ALA C C 1 +ATOM 3096 O O . ALA C 1 120 ? -6.502 27.085 32.440 1.00 14.38 ? 120 ALA C O 1 +ATOM 3097 C CB . ALA C 1 120 ? -8.626 27.435 30.018 1.00 23.51 ? 120 ALA C CB 1 +ATOM 3098 N N . VAL C 1 121 ? -8.718 26.571 33.051 1.00 15.38 ? 121 VAL C N 1 +ATOM 3099 C CA . VAL C 1 121 ? -8.627 26.871 34.506 1.00 17.86 ? 121 VAL C CA 1 +ATOM 3100 C C . VAL C 1 121 ? -7.595 25.867 35.121 1.00 13.56 ? 121 VAL C C 1 +ATOM 3101 O O . VAL C 1 121 ? -6.737 26.346 35.804 1.00 14.98 ? 121 VAL C O 1 +ATOM 3102 C CB . VAL C 1 121 ? -9.843 27.195 35.170 1.00 16.82 ? 121 VAL C CB 1 +ATOM 3103 C CG1 . VAL C 1 121 ? -9.618 27.273 36.643 1.00 15.23 ? 121 VAL C CG1 1 +ATOM 3104 C CG2 . VAL C 1 121 ? -10.368 28.479 34.552 1.00 18.21 ? 121 VAL C CG2 1 +ATOM 3105 N N . HIS C 1 122 ? -7.805 24.636 34.771 1.00 13.62 ? 122 HIS C N 1 +ATOM 3106 C CA . HIS C 1 122 ? -6.937 23.451 35.259 1.00 13.41 ? 122 HIS C CA 1 +ATOM 3107 C C . HIS C 1 122 ? -5.548 23.814 34.921 1.00 19.70 ? 122 HIS C C 1 +ATOM 3108 O O . HIS C 1 122 ? -4.642 23.728 35.783 1.00 15.94 ? 122 HIS C O 1 +ATOM 3109 C CB . HIS C 1 122 ? -7.560 22.306 34.759 1.00 13.44 ? 122 HIS C CB 1 +ATOM 3110 C CG . HIS C 1 122 ? -6.979 21.032 34.925 1.00 11.42 ? 122 HIS C CG 1 +ATOM 3111 N ND1 . HIS C 1 122 ? -7.464 19.754 34.592 1.00 16.43 ? 122 HIS C ND1 1 +ATOM 3112 C CD2 . HIS C 1 122 ? -5.726 20.863 35.683 1.00 17.04 ? 122 HIS C CD2 1 +ATOM 3113 C CE1 . HIS C 1 122 ? -6.597 18.852 34.961 1.00 20.17 ? 122 HIS C CE1 1 +ATOM 3114 N NE2 . HIS C 1 122 ? -5.616 19.365 35.742 1.00 16.87 ? 122 HIS C NE2 1 +ATOM 3115 N N . ALA C 1 123 ? -5.282 24.241 33.685 1.00 13.94 ? 123 ALA C N 1 +ATOM 3116 C CA . ALA C 1 123 ? -3.852 24.440 33.281 1.00 17.63 ? 123 ALA C CA 1 +ATOM 3117 C C . ALA C 1 123 ? -3.238 25.574 33.993 1.00 15.63 ? 123 ALA C C 1 +ATOM 3118 O O . ALA C 1 123 ? -2.180 25.505 34.534 1.00 16.32 ? 123 ALA C O 1 +ATOM 3119 C CB . ALA C 1 123 ? -3.944 24.690 31.702 1.00 21.15 ? 123 ALA C CB 1 +ATOM 3120 N N . SER C 1 124 ? -4.035 26.650 34.175 1.00 11.75 ? 124 SER C N 1 +ATOM 3121 C CA . SER C 1 124 ? -3.394 27.839 34.907 1.00 15.01 ? 124 SER C CA 1 +ATOM 3122 C C . SER C 1 124 ? -3.253 27.454 36.479 1.00 15.67 ? 124 SER C C 1 +ATOM 3123 O O . SER C 1 124 ? -2.271 27.979 36.892 1.00 13.45 ? 124 SER C O 1 +ATOM 3124 C CB . SER C 1 124 ? -4.541 28.990 34.858 1.00 14.78 ? 124 SER C CB 1 +ATOM 3125 O OG . SER C 1 124 ? -4.824 29.479 33.477 1.00 17.64 ? 124 SER C OG 1 +ATOM 3126 N N . LEU C 1 125 ? -4.169 26.806 36.953 1.00 10.43 ? 125 LEU C N 1 +ATOM 3127 C CA . LEU C 1 125 ? -3.974 26.408 38.376 1.00 12.66 ? 125 LEU C CA 1 +ATOM 3128 C C . LEU C 1 125 ? -2.805 25.517 38.660 1.00 12.01 ? 125 LEU C C 1 +ATOM 3129 O O . LEU C 1 125 ? -1.878 25.722 39.523 1.00 10.58 ? 125 LEU C O 1 +ATOM 3130 C CB . LEU C 1 125 ? -5.183 25.713 38.887 1.00 10.32 ? 125 LEU C CB 1 +ATOM 3131 C CG . LEU C 1 125 ? -6.317 26.694 39.349 1.00 16.01 ? 125 LEU C CG 1 +ATOM 3132 C CD1 . LEU C 1 125 ? -7.563 25.849 39.464 1.00 21.31 ? 125 LEU C CD1 1 +ATOM 3133 C CD2 . LEU C 1 125 ? -5.941 27.687 40.494 1.00 19.17 ? 125 LEU C CD2 1 +ATOM 3134 N N . ASP C 1 126 ? -2.469 24.629 37.706 1.00 15.23 ? 126 ASP C N 1 +ATOM 3135 C CA . ASP C 1 126 ? -1.315 23.690 37.774 1.00 15.01 ? 126 ASP C CA 1 +ATOM 3136 C C . ASP C 1 126 ? -0.148 24.556 37.653 1.00 17.34 ? 126 ASP C C 1 +ATOM 3137 O O . ASP C 1 126 ? 0.876 24.355 38.319 1.00 17.16 ? 126 ASP C O 1 +ATOM 3138 C CB . ASP C 1 126 ? -1.474 22.643 36.761 1.00 14.23 ? 126 ASP C CB 1 +ATOM 3139 C CG . ASP C 1 126 ? -0.460 21.302 37.002 1.00 15.33 ? 126 ASP C CG 1 +ATOM 3140 O OD1 . ASP C 1 126 ? -0.386 21.135 38.130 1.00 21.18 ? 126 ASP C OD1 1 +ATOM 3141 O OD2 . ASP C 1 126 ? 0.404 21.221 36.236 1.00 18.49 ? 126 ASP C OD2 1 +ATOM 3142 N N . LYS C 1 127 ? -0.049 25.579 36.721 1.00 10.51 ? 127 LYS C N 1 +ATOM 3143 C CA . LYS C 1 127 ? 1.127 26.368 36.501 1.00 9.26 ? 127 LYS C CA 1 +ATOM 3144 C C . LYS C 1 127 ? 1.198 27.236 37.820 1.00 10.60 ? 127 LYS C C 1 +ATOM 3145 O O . LYS C 1 127 ? 2.530 27.485 38.248 1.00 13.38 ? 127 LYS C O 1 +ATOM 3146 C CB . LYS C 1 127 ? 0.944 27.435 35.345 1.00 12.57 ? 127 LYS C CB 1 +ATOM 3147 C CG . LYS C 1 127 ? 1.047 26.668 34.147 1.00 21.03 ? 127 LYS C CG 1 +ATOM 3148 C CD . LYS C 1 127 ? 0.884 27.656 32.897 1.00 27.03 ? 127 LYS C CD 1 +ATOM 3149 C CE . LYS C 1 127 ? 1.961 28.782 32.875 1.00 36.89 ? 127 LYS C CE 1 +ATOM 3150 N NZ . LYS C 1 127 ? 1.824 29.648 31.599 1.00 25.75 ? 127 LYS C NZ 1 +ATOM 3151 N N . PHE C 1 128 ? 0.182 27.705 38.310 1.00 12.44 ? 128 PHE C N 1 +ATOM 3152 C CA . PHE C 1 128 ? 0.320 28.558 39.393 1.00 14.73 ? 128 PHE C CA 1 +ATOM 3153 C C . PHE C 1 128 ? 0.834 27.636 40.759 1.00 19.70 ? 128 PHE C C 1 +ATOM 3154 O O . PHE C 1 128 ? 1.819 28.285 41.403 1.00 15.58 ? 128 PHE C O 1 +ATOM 3155 C CB . PHE C 1 128 ? -0.978 29.203 39.876 1.00 11.17 ? 128 PHE C CB 1 +ATOM 3156 C CG . PHE C 1 128 ? -1.104 29.851 41.419 1.00 11.86 ? 128 PHE C CG 1 +ATOM 3157 C CD1 . PHE C 1 128 ? -0.435 31.097 41.491 1.00 15.77 ? 128 PHE C CD1 1 +ATOM 3158 C CD2 . PHE C 1 128 ? -1.795 29.083 42.065 1.00 23.89 ? 128 PHE C CD2 1 +ATOM 3159 C CE1 . PHE C 1 128 ? -0.694 31.457 42.818 1.00 14.00 ? 128 PHE C CE1 1 +ATOM 3160 C CE2 . PHE C 1 128 ? -1.764 29.704 43.512 1.00 26.48 ? 128 PHE C CE2 1 +ATOM 3161 C CZ . PHE C 1 128 ? -1.293 30.841 43.728 1.00 15.47 ? 128 PHE C CZ 1 +ATOM 3162 N N . LEU C 1 129 ? 0.268 26.489 40.924 1.00 14.00 ? 129 LEU C N 1 +ATOM 3163 C CA . LEU C 1 129 ? 0.802 25.691 42.128 1.00 13.04 ? 129 LEU C CA 1 +ATOM 3164 C C . LEU C 1 129 ? 2.281 25.274 41.854 1.00 17.30 ? 129 LEU C C 1 +ATOM 3165 O O . LEU C 1 129 ? 3.223 25.257 42.778 1.00 14.75 ? 129 LEU C O 1 +ATOM 3166 C CB . LEU C 1 129 ? 0.131 24.471 42.304 1.00 12.12 ? 129 LEU C CB 1 +ATOM 3167 C CG . LEU C 1 129 ? -1.196 24.824 42.763 1.00 20.92 ? 129 LEU C CG 1 +ATOM 3168 C CD1 . LEU C 1 129 ? -2.184 23.738 42.800 1.00 26.64 ? 129 LEU C CD1 1 +ATOM 3169 C CD2 . LEU C 1 129 ? -1.317 25.375 44.089 1.00 35.02 ? 129 LEU C CD2 1 +ATOM 3170 N N . ALA C 1 130 ? 2.783 25.067 40.644 1.00 16.20 ? 130 ALA C N 1 +ATOM 3171 C CA . ALA C 1 130 ? 4.130 24.887 40.263 1.00 14.56 ? 130 ALA C CA 1 +ATOM 3172 C C . ALA C 1 130 ? 4.988 26.018 40.658 1.00 19.27 ? 130 ALA C C 1 +ATOM 3173 O O . ALA C 1 130 ? 6.260 25.974 41.137 1.00 14.14 ? 130 ALA C O 1 +ATOM 3174 C CB . ALA C 1 130 ? 4.429 24.580 38.944 1.00 17.10 ? 130 ALA C CB 1 +ATOM 3175 N N . SER C 1 131 ? 4.515 27.143 40.269 1.00 18.74 ? 131 SER C N 1 +ATOM 3176 C CA . SER C 1 131 ? 5.434 28.451 40.568 1.00 19.45 ? 131 SER C CA 1 +ATOM 3177 C C . SER C 1 131 ? 5.316 28.778 42.289 1.00 14.53 ? 131 SER C C 1 +ATOM 3178 O O . SER C 1 131 ? 6.499 29.056 42.559 1.00 12.58 ? 131 SER C O 1 +ATOM 3179 C CB . SER C 1 131 ? 4.548 29.829 40.023 1.00 22.90 ? 131 SER C CB 1 +ATOM 3180 O OG . SER C 1 131 ? 4.633 29.504 38.554 1.00 37.64 ? 131 SER C OG 1 +ATOM 3181 N N . VAL C 1 132 ? 4.265 28.414 42.889 1.00 12.03 ? 132 VAL C N 1 +ATOM 3182 C CA . VAL C 1 132 ? 4.285 28.486 44.328 1.00 13.41 ? 132 VAL C CA 1 +ATOM 3183 C C . VAL C 1 132 ? 5.425 27.574 44.897 1.00 19.42 ? 132 VAL C C 1 +ATOM 3184 O O . VAL C 1 132 ? 6.323 27.908 45.797 1.00 14.00 ? 132 VAL C O 1 +ATOM 3185 C CB . VAL C 1 132 ? 3.041 28.224 44.915 1.00 15.91 ? 132 VAL C CB 1 +ATOM 3186 C CG1 . VAL C 1 132 ? 3.206 28.020 46.471 1.00 17.14 ? 132 VAL C CG1 1 +ATOM 3187 C CG2 . VAL C 1 132 ? 1.924 29.519 44.726 1.00 19.41 ? 132 VAL C CG2 1 +ATOM 3188 N N . SER C 1 133 ? 5.323 26.253 44.379 1.00 14.01 ? 133 SER C N 1 +ATOM 3189 C CA . SER C 1 133 ? 6.255 25.227 44.640 1.00 13.12 ? 133 SER C CA 1 +ATOM 3190 C C . SER C 1 133 ? 7.667 25.691 44.362 1.00 21.83 ? 133 SER C C 1 +ATOM 3191 O O . SER C 1 133 ? 8.644 25.349 45.371 1.00 18.12 ? 133 SER C O 1 +ATOM 3192 C CB . SER C 1 133 ? 6.129 23.890 43.936 1.00 13.61 ? 133 SER C CB 1 +ATOM 3193 O OG . SER C 1 133 ? 4.860 23.486 44.569 1.00 18.98 ? 133 SER C OG 1 +ATOM 3194 N N . THR C 1 134 ? 8.003 26.208 43.359 1.00 17.53 ? 134 THR C N 1 +ATOM 3195 C CA . THR C 1 134 ? 9.374 26.766 43.002 1.00 15.95 ? 134 THR C CA 1 +ATOM 3196 C C . THR C 1 134 ? 9.837 27.861 43.927 1.00 16.97 ? 134 THR C C 1 +ATOM 3197 O O . THR C 1 134 ? 11.031 27.733 44.511 1.00 20.39 ? 134 THR C O 1 +ATOM 3198 C CB . THR C 1 134 ? 9.253 27.334 41.503 1.00 18.28 ? 134 THR C CB 1 +ATOM 3199 O OG1 . THR C 1 134 ? 9.163 26.304 40.689 1.00 22.72 ? 134 THR C OG1 1 +ATOM 3200 C CG2 . THR C 1 134 ? 10.563 27.996 41.073 1.00 22.70 ? 134 THR C CG2 1 +ATOM 3201 N N . VAL C 1 135 ? 8.919 28.666 44.254 1.00 15.13 ? 135 VAL C N 1 +ATOM 3202 C CA . VAL C 1 135 ? 9.371 29.799 45.211 1.00 16.51 ? 135 VAL C CA 1 +ATOM 3203 C C . VAL C 1 135 ? 9.815 28.972 46.549 1.00 16.40 ? 135 VAL C C 1 +ATOM 3204 O O . VAL C 1 135 ? 10.718 29.479 47.192 1.00 15.94 ? 135 VAL C O 1 +ATOM 3205 C CB . VAL C 1 135 ? 8.238 30.917 45.401 1.00 18.21 ? 135 VAL C CB 1 +ATOM 3206 C CG1 . VAL C 1 135 ? 8.498 31.879 46.554 1.00 17.40 ? 135 VAL C CG1 1 +ATOM 3207 C CG2 . VAL C 1 135 ? 8.106 31.621 44.135 1.00 19.71 ? 135 VAL C CG2 1 +ATOM 3208 N N . LEU C 1 136 ? 8.742 28.165 47.127 1.00 12.10 ? 136 LEU C N 1 +ATOM 3209 C CA . LEU C 1 136 ? 8.933 27.615 48.489 1.00 15.98 ? 136 LEU C CA 1 +ATOM 3210 C C . LEU C 1 136 ? 10.286 26.819 48.496 1.00 16.04 ? 136 LEU C C 1 +ATOM 3211 O O . LEU C 1 136 ? 10.758 26.477 49.698 1.00 16.42 ? 136 LEU C O 1 +ATOM 3212 C CB . LEU C 1 136 ? 7.767 26.818 48.732 1.00 16.86 ? 136 LEU C CB 1 +ATOM 3213 C CG . LEU C 1 136 ? 6.498 27.699 48.975 1.00 24.99 ? 136 LEU C CG 1 +ATOM 3214 C CD1 . LEU C 1 136 ? 5.550 26.680 49.621 1.00 18.69 ? 136 LEU C CD1 1 +ATOM 3215 C CD2 . LEU C 1 136 ? 6.699 28.662 50.043 1.00 43.05 ? 136 LEU C CD2 1 +ATOM 3216 N N . THR C 1 137 ? 10.776 26.405 47.315 1.00 14.30 ? 137 THR C N 1 +ATOM 3217 C CA . THR C 1 137 ? 11.945 25.420 47.391 1.00 16.72 ? 137 THR C CA 1 +ATOM 3218 C C . THR C 1 137 ? 13.327 26.347 46.875 1.00 20.27 ? 137 THR C C 1 +ATOM 3219 O O . THR C 1 137 ? 14.280 25.718 46.849 1.00 19.99 ? 137 THR C O 1 +ATOM 3220 C CB . THR C 1 137 ? 11.713 24.163 46.386 1.00 21.82 ? 137 THR C CB 1 +ATOM 3221 O OG1 . THR C 1 137 ? 11.583 24.585 45.250 1.00 20.00 ? 137 THR C OG1 1 +ATOM 3222 C CG2 . THR C 1 137 ? 10.791 23.269 47.207 1.00 20.00 ? 137 THR C CG2 1 +ATOM 3223 N N . SER C 1 138 ? 13.112 27.550 46.526 1.00 21.45 ? 138 SER C N 1 +ATOM 3224 C CA . SER C 1 138 ? 14.205 28.364 45.991 1.00 24.00 ? 138 SER C CA 1 +ATOM 3225 C C . SER C 1 138 ? 15.527 28.466 46.961 1.00 26.98 ? 138 SER C C 1 +ATOM 3226 O O . SER C 1 138 ? 16.346 28.964 46.250 1.00 21.99 ? 138 SER C O 1 +ATOM 3227 C CB . SER C 1 138 ? 13.326 30.261 46.447 1.00 21.69 ? 138 SER C CB 1 +ATOM 3228 O OG . SER C 1 138 ? 13.564 29.793 45.266 1.00 42.20 ? 138 SER C OG 1 +ATOM 3229 N N . LYS C 1 139 ? 15.286 28.359 48.265 1.00 22.73 ? 139 LYS C N 1 +ATOM 3230 C CA . LYS C 1 139 ? 16.479 28.792 49.122 1.00 27.59 ? 139 LYS C CA 1 +ATOM 3231 C C . LYS C 1 139 ? 17.078 27.376 49.688 1.00 19.22 ? 139 LYS C C 1 +ATOM 3232 O O . LYS C 1 139 ? 17.820 27.414 50.655 1.00 14.35 ? 139 LYS C O 1 +ATOM 3233 C CB . LYS C 1 139 ? 15.819 29.558 50.203 1.00 19.55 ? 139 LYS C CB 1 +ATOM 3234 C CG . LYS C 1 139 ? 15.724 31.042 49.451 1.00 22.79 ? 139 LYS C CG 1 +ATOM 3235 C CD . LYS C 1 139 ? 15.105 31.677 50.391 1.00 42.21 ? 139 LYS C CD 1 +ATOM 3236 C CE . LYS C 1 139 ? 15.141 33.521 49.749 1.00 36.26 ? 139 LYS C CE 1 +ATOM 3237 N NZ . LYS C 1 139 ? 13.856 33.453 51.064 1.00 30.87 ? 139 LYS C NZ 1 +ATOM 3238 N N . TYR C 1 140 ? 16.640 26.262 49.172 1.00 18.17 ? 140 TYR C N 1 +ATOM 3239 C CA . TYR C 1 140 ? 17.145 25.044 49.743 1.00 17.49 ? 140 TYR C CA 1 +ATOM 3240 C C . TYR C 1 140 ? 18.595 24.819 49.658 1.00 19.10 ? 140 TYR C C 1 +ATOM 3241 O O . TYR C 1 140 ? 19.021 24.039 50.654 1.00 22.35 ? 140 TYR C O 1 +ATOM 3242 C CB . TYR C 1 140 ? 16.357 23.842 49.007 1.00 16.87 ? 140 TYR C CB 1 +ATOM 3243 C CG . TYR C 1 140 ? 15.105 23.332 49.674 1.00 12.61 ? 140 TYR C CG 1 +ATOM 3244 C CD1 . TYR C 1 140 ? 14.777 22.178 49.904 1.00 19.13 ? 140 TYR C CD1 1 +ATOM 3245 C CD2 . TYR C 1 140 ? 13.994 24.273 50.011 1.00 16.63 ? 140 TYR C CD2 1 +ATOM 3246 C CE1 . TYR C 1 140 ? 13.578 21.811 50.477 1.00 21.26 ? 140 TYR C CE1 1 +ATOM 3247 C CE2 . TYR C 1 140 ? 12.813 23.902 50.651 1.00 17.45 ? 140 TYR C CE2 1 +ATOM 3248 C CZ . TYR C 1 140 ? 12.514 22.725 50.795 1.00 14.84 ? 140 TYR C CZ 1 +ATOM 3249 O OH . TYR C 1 140 ? 11.453 22.162 51.421 1.00 15.53 ? 140 TYR C OH 1 +ATOM 3250 N N . ARG C 1 141 ? 19.195 25.330 48.574 1.00 20.34 ? 141 ARG C N 1 +ATOM 3251 C CA . ARG C 1 141 ? 20.604 25.087 48.416 1.00 25.59 ? 141 ARG C CA 1 +ATOM 3252 C C . ARG C 1 141 ? 21.380 26.389 47.709 1.00 21.46 ? 141 ARG C C 1 +ATOM 3253 O O . ARG C 1 141 ? 20.521 26.915 47.109 1.00 24.60 ? 141 ARG C O 1 +ATOM 3254 C CB . ARG C 1 141 ? 20.984 23.676 47.960 1.00 27.67 ? 141 ARG C CB 1 +ATOM 3255 C CG . ARG C 1 141 ? 20.481 23.506 46.506 1.00 20.44 ? 141 ARG C CG 1 +ATOM 3256 C CD . ARG C 1 141 ? 21.083 21.977 46.306 1.00 27.35 ? 141 ARG C CD 1 +ATOM 3257 N NE . ARG C 1 141 ? 20.504 21.713 44.918 1.00 21.57 ? 141 ARG C NE 1 +ATOM 3258 C CZ . ARG C 1 141 ? 21.147 20.787 44.092 1.00 17.72 ? 141 ARG C CZ 1 +ATOM 3259 N NH1 . ARG C 1 141 ? 21.870 19.869 44.542 1.00 16.11 ? 141 ARG C NH1 1 +ATOM 3260 N NH2 . ARG C 1 141 ? 20.297 20.745 42.929 1.00 19.55 ? 141 ARG C NH2 1 +ATOM 3261 O OXT . ARG C 1 141 ? 22.581 26.235 47.657 1.00 22.97 ? 141 ARG C OXT 1 +ATOM 3262 N N . VAL D 2 1 ? -1.814 -5.610 41.065 1.00 44.53 ? 1 VAL D N 1 +ATOM 3263 C CA . VAL D 2 1 ? -1.372 -4.526 42.392 1.00 40.54 ? 1 VAL D CA 1 +ATOM 3264 C C . VAL D 2 1 ? -2.305 -5.400 43.956 1.00 54.57 ? 1 VAL D C 1 +ATOM 3265 O O . VAL D 2 1 ? -3.353 -5.931 43.347 1.00 46.03 ? 1 VAL D O 1 +ATOM 3266 C CB . VAL D 2 1 ? -2.154 -3.023 42.460 1.00 59.62 ? 1 VAL D CB 1 +ATOM 3267 C CG1 . VAL D 2 1 ? -1.269 -1.974 41.408 1.00 56.25 ? 1 VAL D CG1 1 +ATOM 3268 C CG2 . VAL D 2 1 ? -3.214 -2.974 41.963 1.00 44.49 ? 1 VAL D CG2 1 +ATOM 3269 N N . HIS D 2 2 ? -1.881 -4.480 44.565 1.00 54.55 ? 2 HIS D N 1 +ATOM 3270 C CA . HIS D 2 2 ? -2.494 -4.541 45.879 1.00 76.16 ? 2 HIS D CA 1 +ATOM 3271 C C . HIS D 2 2 ? -3.834 -3.786 46.487 1.00 40.79 ? 2 HIS D C 1 +ATOM 3272 O O . HIS D 2 2 ? -3.055 -2.719 47.278 1.00 42.23 ? 2 HIS D O 1 +ATOM 3273 C CB . HIS D 2 2 ? -1.158 -5.937 46.959 1.00 61.25 ? 2 HIS D CB 1 +ATOM 3274 C CG . HIS D 2 2 ? -1.766 -6.426 47.663 1.00 73.35 ? 2 HIS D CG 1 +ATOM 3275 N ND1 . HIS D 2 2 ? -1.563 -4.633 49.363 1.00 63.32 ? 2 HIS D ND1 1 +ATOM 3276 C CD2 . HIS D 2 2 ? -3.067 -7.358 48.599 1.00 68.03 ? 2 HIS D CD2 1 +ATOM 3277 C CE1 . HIS D 2 2 ? -2.903 -4.790 50.700 1.00 55.48 ? 2 HIS D CE1 1 +ATOM 3278 N NE2 . HIS D 2 2 ? -3.454 -6.335 49.732 1.00 54.14 ? 2 HIS D NE2 1 +ATOM 3279 N N . LEU D 2 3 ? -5.006 -4.528 46.453 1.00 31.51 ? 3 LEU D N 1 +ATOM 3280 C CA . LEU D 2 3 ? -5.944 -3.493 46.645 1.00 32.74 ? 3 LEU D CA 1 +ATOM 3281 C C . LEU D 2 3 ? -5.932 -4.056 48.199 1.00 43.55 ? 3 LEU D C 1 +ATOM 3282 O O . LEU D 2 3 ? -7.131 -5.337 48.007 1.00 38.09 ? 3 LEU D O 1 +ATOM 3283 C CB . LEU D 2 3 ? -7.274 -3.188 45.938 1.00 39.97 ? 3 LEU D CB 1 +ATOM 3284 C CG . LEU D 2 3 ? -6.527 -2.253 44.809 1.00 33.25 ? 3 LEU D CG 1 +ATOM 3285 C CD1 . LEU D 2 3 ? -7.751 -1.778 44.047 1.00 35.36 ? 3 LEU D CD1 1 +ATOM 3286 C CD2 . LEU D 2 3 ? -6.305 -0.965 45.139 1.00 43.98 ? 3 LEU D CD2 1 +ATOM 3287 N N . THR D 2 4 ? -7.078 -3.625 49.100 1.00 40.52 ? 4 THR D N 1 +ATOM 3288 C CA . THR D 2 4 ? -7.788 -3.977 50.057 1.00 35.01 ? 4 THR D CA 1 +ATOM 3289 C C . THR D 2 4 ? -9.299 -4.493 49.814 1.00 36.50 ? 4 THR D C 1 +ATOM 3290 O O . THR D 2 4 ? -9.504 -3.755 48.628 1.00 26.93 ? 4 THR D O 1 +ATOM 3291 C CB . THR D 2 4 ? -7.829 -2.890 51.512 1.00 42.32 ? 4 THR D CB 1 +ATOM 3292 O OG1 . THR D 2 4 ? -8.724 -1.949 51.086 1.00 35.61 ? 4 THR D OG1 1 +ATOM 3293 C CG2 . THR D 2 4 ? -6.692 -2.661 51.928 1.00 41.74 ? 4 THR D CG2 1 +ATOM 3294 N N . PRO D 2 5 ? -9.852 -5.187 50.202 1.00 38.01 ? 5 PRO D N 1 +ATOM 3295 C CA . PRO D 2 5 ? -11.337 -5.221 49.120 1.00 45.26 ? 5 PRO D CA 1 +ATOM 3296 C C . PRO D 2 5 ? -12.310 -4.132 49.413 1.00 40.88 ? 5 PRO D C 1 +ATOM 3297 O O . PRO D 2 5 ? -13.164 -3.742 48.743 1.00 35.71 ? 5 PRO D O 1 +ATOM 3298 C CB . PRO D 2 5 ? -12.067 -6.220 51.069 1.00 80.12 ? 5 PRO D CB 1 +ATOM 3299 C CG . PRO D 2 5 ? -11.233 -6.668 51.529 1.00 36.53 ? 5 PRO D CG 1 +ATOM 3300 C CD . PRO D 2 5 ? -9.657 -6.371 51.226 1.00 38.83 ? 5 PRO D CD 1 +ATOM 3301 N N . GLU D 2 6 ? -11.939 -3.175 50.361 1.00 38.95 ? 6 GLU D N 1 +ATOM 3302 C CA . GLU D 2 6 ? -12.804 -2.252 50.717 1.00 54.36 ? 6 GLU D CA 1 +ATOM 3303 C C . GLU D 2 6 ? -12.069 -0.723 49.156 1.00 29.53 ? 6 GLU D C 1 +ATOM 3304 O O . GLU D 2 6 ? -12.968 -0.346 48.860 1.00 34.33 ? 6 GLU D O 1 +ATOM 3305 C CB . GLU D 2 6 ? -12.522 -1.044 51.914 1.00 67.37 ? 6 GLU D CB 1 +ATOM 3306 C CG . GLU D 2 6 ? -11.847 -1.262 52.529 1.00 68.32 ? 6 GLU D CG 1 +ATOM 3307 C CD . GLU D 2 6 ? -11.713 -2.810 53.740 1.00 80.07 ? 6 GLU D CD 1 +ATOM 3308 O OE1 . GLU D 2 6 ? -11.276 -3.564 53.394 1.00 62.33 ? 6 GLU D OE1 1 +ATOM 3309 O OE2 . GLU D 2 6 ? -9.409 -3.309 52.664 1.00 75.27 ? 6 GLU D OE2 1 +ATOM 3310 N N . GLU D 2 7 ? -10.901 -1.071 49.080 1.00 32.30 ? 7 GLU D N 1 +ATOM 3311 C CA . GLU D 2 7 ? -10.347 -0.216 47.921 1.00 26.92 ? 7 GLU D CA 1 +ATOM 3312 C C . GLU D 2 7 ? -11.011 -1.039 46.532 1.00 36.61 ? 7 GLU D C 1 +ATOM 3313 O O . GLU D 2 7 ? -11.472 -0.149 45.829 1.00 31.61 ? 7 GLU D O 1 +ATOM 3314 C CB . GLU D 2 7 ? -8.837 -0.457 47.764 1.00 22.74 ? 7 GLU D CB 1 +ATOM 3315 C CG . GLU D 2 7 ? -8.185 0.634 49.144 1.00 25.68 ? 7 GLU D CG 1 +ATOM 3316 C CD . GLU D 2 7 ? -6.922 0.161 49.164 1.00 21.07 ? 7 GLU D CD 1 +ATOM 3317 O OE1 . GLU D 2 7 ? -6.344 1.496 49.329 1.00 41.17 ? 7 GLU D OE1 1 +ATOM 3318 O OE2 . GLU D 2 7 ? -6.064 -0.735 48.554 1.00 26.19 ? 7 GLU D OE2 1 +ATOM 3319 N N . LYS D 2 8 ? -10.933 -2.215 46.557 1.00 24.35 ? 8 LYS D N 1 +ATOM 3320 C CA . LYS D 2 8 ? -11.473 -2.886 45.115 1.00 27.18 ? 8 LYS D CA 1 +ATOM 3321 C C . LYS D 2 8 ? -12.769 -2.751 44.882 1.00 23.43 ? 8 LYS D C 1 +ATOM 3322 O O . LYS D 2 8 ? -13.428 -2.180 44.002 1.00 23.08 ? 8 LYS D O 1 +ATOM 3323 C CB . LYS D 2 8 ? -11.138 -4.610 45.700 1.00 28.41 ? 8 LYS D CB 1 +ATOM 3324 C CG . LYS D 2 8 ? -11.452 -4.860 43.957 1.00 48.31 ? 8 LYS D CG 1 +ATOM 3325 C CD . LYS D 2 8 ? -11.087 -6.025 43.852 1.00 69.34 ? 8 LYS D CD 1 +ATOM 3326 C CE . LYS D 2 8 ? -12.105 -6.662 42.214 1.00 38.29 ? 8 LYS D CE 1 +ATOM 3327 N NZ . LYS D 2 8 ? -11.369 -8.405 41.800 1.00 72.55 ? 8 LYS D NZ 1 +ATOM 3328 N N . SER D 2 9 ? -13.620 -2.615 45.994 1.00 21.45 ? 9 SER D N 1 +ATOM 3329 C CA . SER D 2 9 ? -14.903 -2.143 45.734 1.00 23.49 ? 9 SER D CA 1 +ATOM 3330 C C . SER D 2 9 ? -15.111 -0.709 45.482 1.00 32.73 ? 9 SER D C 1 +ATOM 3331 O O . SER D 2 9 ? -16.196 -0.546 44.863 1.00 27.24 ? 9 SER D O 1 +ATOM 3332 C CB . SER D 2 9 ? -15.747 -2.789 46.868 1.00 48.80 ? 9 SER D CB 1 +ATOM 3333 O OG . SER D 2 9 ? -16.466 -2.355 47.669 1.00 54.12 ? 9 SER D OG 1 +ATOM 3334 N N . ALA D 2 10 ? -14.233 -0.002 46.237 1.00 26.97 ? 10 ALA D N 1 +ATOM 3335 C CA . ALA D 2 10 ? -14.740 1.506 46.024 1.00 27.01 ? 10 ALA D CA 1 +ATOM 3336 C C . ALA D 2 10 ? -14.275 1.733 44.348 1.00 23.29 ? 10 ALA D C 1 +ATOM 3337 O O . ALA D 2 10 ? -15.121 2.514 43.744 1.00 20.87 ? 10 ALA D O 1 +ATOM 3338 C CB . ALA D 2 10 ? -13.589 2.138 46.432 1.00 28.42 ? 10 ALA D CB 1 +ATOM 3339 N N . VAL D 2 11 ? -13.320 1.053 43.828 1.00 31.33 ? 11 VAL D N 1 +ATOM 3340 C CA . VAL D 2 11 ? -12.901 1.312 42.330 1.00 25.10 ? 11 VAL D CA 1 +ATOM 3341 C C . VAL D 2 11 ? -13.953 0.818 41.418 1.00 18.64 ? 11 VAL D C 1 +ATOM 3342 O O . VAL D 2 11 ? -14.305 1.593 40.610 1.00 19.73 ? 11 VAL D O 1 +ATOM 3343 C CB . VAL D 2 11 ? -11.589 0.475 42.157 1.00 18.52 ? 11 VAL D CB 1 +ATOM 3344 C CG1 . VAL D 2 11 ? -11.406 0.500 40.891 1.00 28.45 ? 11 VAL D CG1 1 +ATOM 3345 C CG2 . VAL D 2 11 ? -10.365 1.421 42.850 1.00 21.05 ? 11 VAL D CG2 1 +ATOM 3346 N N . THR D 2 12 ? -14.304 -0.432 41.866 1.00 19.99 ? 12 THR D N 1 +ATOM 3347 C CA . THR D 2 12 ? -15.410 -1.147 40.817 1.00 26.25 ? 12 THR D CA 1 +ATOM 3348 C C . THR D 2 12 ? -16.601 -0.482 40.917 1.00 24.29 ? 12 THR D C 1 +ATOM 3349 O O . THR D 2 12 ? -17.394 -0.059 39.851 1.00 26.52 ? 12 THR D O 1 +ATOM 3350 C CB . THR D 2 12 ? -15.640 -2.828 41.734 1.00 24.72 ? 12 THR D CB 1 +ATOM 3351 O OG1 . THR D 2 12 ? -14.353 -3.294 41.042 1.00 32.38 ? 12 THR D OG1 1 +ATOM 3352 C CG2 . THR D 2 12 ? -16.834 -3.048 41.049 1.00 56.05 ? 12 THR D CG2 1 +ATOM 3353 N N . ALA D 2 13 ? -17.111 0.030 41.924 1.00 25.46 ? 13 ALA D N 1 +ATOM 3354 C CA . ALA D 2 13 ? -18.308 0.747 42.220 1.00 25.21 ? 13 ALA D CA 1 +ATOM 3355 C C . ALA D 2 13 ? -18.617 2.086 41.320 1.00 24.39 ? 13 ALA D C 1 +ATOM 3356 O O . ALA D 2 13 ? -19.408 2.380 40.613 1.00 27.12 ? 13 ALA D O 1 +ATOM 3357 C CB . ALA D 2 13 ? -18.812 1.000 43.174 1.00 40.91 ? 13 ALA D CB 1 +ATOM 3358 N N . LEU D 2 14 ? -17.334 2.893 41.468 1.00 21.51 ? 14 LEU D N 1 +ATOM 3359 C CA . LEU D 2 14 ? -17.418 4.000 40.737 1.00 19.28 ? 14 LEU D CA 1 +ATOM 3360 C C . LEU D 2 14 ? -17.280 3.833 39.222 1.00 20.58 ? 14 LEU D C 1 +ATOM 3361 O O . LEU D 2 14 ? -17.966 4.648 38.542 1.00 19.87 ? 14 LEU D O 1 +ATOM 3362 C CB . LEU D 2 14 ? -16.152 4.973 41.380 1.00 18.39 ? 14 LEU D CB 1 +ATOM 3363 C CG . LEU D 2 14 ? -16.156 6.398 40.759 1.00 32.12 ? 14 LEU D CG 1 +ATOM 3364 C CD1 . LEU D 2 14 ? -17.023 7.032 41.940 1.00 41.26 ? 14 LEU D CD1 1 +ATOM 3365 C CD2 . LEU D 2 14 ? -15.015 7.007 40.947 1.00 34.27 ? 14 LEU D CD2 1 +ATOM 3366 N N . TRP D 2 15 ? -16.558 2.791 38.917 1.00 16.79 ? 15 TRP D N 1 +ATOM 3367 C CA . TRP D 2 15 ? -16.231 2.780 37.400 1.00 13.47 ? 15 TRP D CA 1 +ATOM 3368 C C . TRP D 2 15 ? -17.544 2.168 36.758 1.00 22.23 ? 15 TRP D C 1 +ATOM 3369 O O . TRP D 2 15 ? -17.827 2.548 35.648 1.00 22.75 ? 15 TRP D O 1 +ATOM 3370 C CB . TRP D 2 15 ? -15.143 1.692 37.312 1.00 17.27 ? 15 TRP D CB 1 +ATOM 3371 C CG . TRP D 2 15 ? -14.595 1.723 35.935 1.00 18.39 ? 15 TRP D CG 1 +ATOM 3372 C CD1 . TRP D 2 15 ? -14.816 0.889 34.905 1.00 29.85 ? 15 TRP D CD1 1 +ATOM 3373 C CD2 . TRP D 2 15 ? -13.720 2.887 35.416 1.00 19.14 ? 15 TRP D CD2 1 +ATOM 3374 N NE1 . TRP D 2 15 ? -14.172 1.244 33.768 1.00 25.67 ? 15 TRP D NE1 1 +ATOM 3375 C CE2 . TRP D 2 15 ? -13.383 2.497 33.924 1.00 18.90 ? 15 TRP D CE2 1 +ATOM 3376 C CE3 . TRP D 2 15 ? -13.080 3.915 36.031 1.00 24.35 ? 15 TRP D CE3 1 +ATOM 3377 C CZ2 . TRP D 2 15 ? -12.641 3.361 33.151 1.00 22.83 ? 15 TRP D CZ2 1 +ATOM 3378 C CZ3 . TRP D 2 15 ? -12.106 4.660 35.230 1.00 24.62 ? 15 TRP D CZ3 1 +ATOM 3379 C CH2 . TRP D 2 15 ? -12.019 4.234 33.747 1.00 30.44 ? 15 TRP D CH2 1 +ATOM 3380 N N . GLY D 2 16 ? -18.491 1.478 37.485 1.00 23.06 ? 16 GLY D N 1 +ATOM 3381 C CA . GLY D 2 16 ? -19.793 1.191 36.728 1.00 23.16 ? 16 GLY D CA 1 +ATOM 3382 C C . GLY D 2 16 ? -20.459 2.371 36.417 1.00 26.54 ? 16 GLY D C 1 +ATOM 3383 O O . GLY D 2 16 ? -21.452 2.217 35.507 1.00 26.11 ? 16 GLY D O 1 +ATOM 3384 N N . LYS D 2 17 ? -20.410 3.631 36.818 1.00 18.84 ? 17 LYS D N 1 +ATOM 3385 C CA . LYS D 2 17 ? -21.028 4.830 36.770 1.00 24.96 ? 17 LYS D CA 1 +ATOM 3386 C C . LYS D 2 17 ? -20.676 5.690 35.682 1.00 22.00 ? 17 LYS D C 1 +ATOM 3387 O O . LYS D 2 17 ? -20.568 6.824 35.031 1.00 24.63 ? 17 LYS D O 1 +ATOM 3388 C CB . LYS D 2 17 ? -21.116 5.801 38.090 1.00 28.33 ? 17 LYS D CB 1 +ATOM 3389 C CG . LYS D 2 17 ? -21.714 5.050 38.992 1.00 27.71 ? 17 LYS D CG 1 +ATOM 3390 C CD . LYS D 2 17 ? -21.804 6.103 39.890 1.00 33.37 ? 17 LYS D CD 1 +ATOM 3391 C CE . LYS D 2 17 ? -21.674 6.250 41.300 1.00 43.68 ? 17 LYS D CE 1 +ATOM 3392 N NZ . LYS D 2 17 ? -22.932 7.781 41.294 1.00 36.22 ? 17 LYS D NZ 1 +ATOM 3393 N N . VAL D 2 18 ? -19.223 5.295 35.122 1.00 33.39 ? 18 VAL D N 1 +ATOM 3394 C CA . VAL D 2 18 ? -18.148 6.126 34.101 1.00 24.51 ? 18 VAL D CA 1 +ATOM 3395 C C . VAL D 2 18 ? -18.899 5.836 32.572 1.00 27.24 ? 18 VAL D C 1 +ATOM 3396 O O . VAL D 2 18 ? -18.938 4.608 32.580 1.00 26.54 ? 18 VAL D O 1 +ATOM 3397 C CB . VAL D 2 18 ? -16.931 5.822 34.176 1.00 31.98 ? 18 VAL D CB 1 +ATOM 3398 C CG1 . VAL D 2 18 ? -15.989 6.139 33.348 1.00 31.25 ? 18 VAL D CG1 1 +ATOM 3399 C CG2 . VAL D 2 18 ? -16.164 6.263 35.739 1.00 22.12 ? 18 VAL D CG2 1 +ATOM 3400 N N . ASN D 2 19 ? -19.102 6.858 32.015 1.00 25.81 ? 19 ASN D N 1 +ATOM 3401 C CA . ASN D 2 19 ? -19.052 6.863 30.602 1.00 27.55 ? 19 ASN D CA 1 +ATOM 3402 C C . ASN D 2 19 ? -17.973 6.590 30.015 1.00 24.31 ? 19 ASN D C 1 +ATOM 3403 O O . ASN D 2 19 ? -17.248 7.826 29.859 1.00 20.67 ? 19 ASN D O 1 +ATOM 3404 C CB . ASN D 2 19 ? -20.035 7.864 30.104 1.00 40.49 ? 19 ASN D CB 1 +ATOM 3405 C CG . ASN D 2 19 ? -20.692 7.172 28.675 1.00 44.62 ? 19 ASN D CG 1 +ATOM 3406 O OD1 . ASN D 2 19 ? -19.563 7.478 27.587 1.00 45.68 ? 19 ASN D OD1 1 +ATOM 3407 N ND2 . ASN D 2 19 ? -21.322 8.574 27.924 1.00 50.78 ? 19 ASN D ND2 1 +ATOM 3408 N N . VAL D 2 20 ? -17.436 5.688 29.546 1.00 22.82 ? 20 VAL D N 1 +ATOM 3409 C CA . VAL D 2 20 ? -15.916 5.675 28.951 1.00 40.38 ? 20 VAL D CA 1 +ATOM 3410 C C . VAL D 2 20 ? -15.515 6.534 28.237 1.00 37.93 ? 20 VAL D C 1 +ATOM 3411 O O . VAL D 2 20 ? -14.531 7.216 27.787 1.00 32.18 ? 20 VAL D O 1 +ATOM 3412 C CB . VAL D 2 20 ? -15.212 3.705 29.066 1.00 54.80 ? 20 VAL D CB 1 +ATOM 3413 C CG1 . VAL D 2 20 ? -15.630 3.549 30.126 1.00 34.72 ? 20 VAL D CG1 1 +ATOM 3414 C CG2 . VAL D 2 20 ? -14.780 4.198 28.091 1.00 63.33 ? 20 VAL D CG2 1 +ATOM 3415 N N . ASP D 2 21 ? -16.430 6.546 27.136 1.00 36.66 ? 21 ASP D N 1 +ATOM 3416 C CA . ASP D 2 21 ? -16.393 7.840 26.241 1.00 54.12 ? 21 ASP D CA 1 +ATOM 3417 C C . ASP D 2 21 ? -16.366 8.806 26.284 1.00 46.84 ? 21 ASP D C 1 +ATOM 3418 O O . ASP D 2 21 ? -15.134 9.597 25.944 1.00 32.53 ? 21 ASP D O 1 +ATOM 3419 C CB . ASP D 2 21 ? -17.519 7.615 25.194 1.00 60.03 ? 21 ASP D CB 1 +ATOM 3420 C CG . ASP D 2 21 ? -17.740 5.940 24.636 1.00 75.30 ? 21 ASP D CG 1 +ATOM 3421 O OD1 . ASP D 2 21 ? -16.630 4.820 24.473 1.00 51.52 ? 21 ASP D OD1 1 +ATOM 3422 O OD2 . ASP D 2 21 ? -18.227 5.979 23.552 1.00 64.70 ? 21 ASP D OD2 1 +ATOM 3423 N N . GLU D 2 22 ? -17.119 9.533 27.126 1.00 27.09 ? 22 GLU D N 1 +ATOM 3424 C CA . GLU D 2 22 ? -17.179 10.878 27.543 1.00 23.15 ? 22 GLU D CA 1 +ATOM 3425 C C . GLU D 2 22 ? -15.584 11.071 28.411 1.00 19.08 ? 22 GLU D C 1 +ATOM 3426 O O . GLU D 2 22 ? -15.170 12.158 28.517 1.00 21.80 ? 22 GLU D O 1 +ATOM 3427 C CB . GLU D 2 22 ? -18.485 11.097 28.232 1.00 35.52 ? 22 GLU D CB 1 +ATOM 3428 C CG . GLU D 2 22 ? -18.323 11.436 28.888 1.00 68.74 ? 22 GLU D CG 1 +ATOM 3429 C CD . GLU D 2 22 ? -19.783 13.017 29.918 1.00 80.12 ? 22 GLU D CD 1 +ATOM 3430 O OE1 . GLU D 2 22 ? -20.488 12.431 31.030 1.00 61.13 ? 22 GLU D OE1 1 +ATOM 3431 O OE2 . GLU D 2 22 ? -20.311 13.300 28.822 1.00 73.88 ? 22 GLU D OE2 1 +ATOM 3432 N N . VAL D 2 23 ? -15.634 10.381 29.480 1.00 20.94 ? 23 VAL D N 1 +ATOM 3433 C CA . VAL D 2 23 ? -14.463 10.509 30.460 1.00 17.82 ? 23 VAL D CA 1 +ATOM 3434 C C . VAL D 2 23 ? -13.138 10.322 29.642 1.00 15.07 ? 23 VAL D C 1 +ATOM 3435 O O . VAL D 2 23 ? -12.180 11.062 29.913 1.00 21.11 ? 23 VAL D O 1 +ATOM 3436 C CB . VAL D 2 23 ? -14.558 9.448 31.669 1.00 18.64 ? 23 VAL D CB 1 +ATOM 3437 C CG1 . VAL D 2 23 ? -13.341 9.420 32.240 1.00 21.45 ? 23 VAL D CG1 1 +ATOM 3438 C CG2 . VAL D 2 23 ? -15.769 10.085 32.385 1.00 21.02 ? 23 VAL D CG2 1 +ATOM 3439 N N . GLY D 2 24 ? -12.986 9.434 28.824 1.00 12.96 ? 24 GLY D N 1 +ATOM 3440 C CA . GLY D 2 24 ? -11.878 9.121 28.034 1.00 18.39 ? 24 GLY D CA 1 +ATOM 3441 C C . GLY D 2 24 ? -11.547 10.306 27.267 1.00 16.60 ? 24 GLY D C 1 +ATOM 3442 O O . GLY D 2 24 ? -10.409 10.924 27.177 1.00 15.31 ? 24 GLY D O 1 +ATOM 3443 N N . GLY D 2 25 ? -12.355 11.061 26.453 1.00 17.32 ? 25 GLY D N 1 +ATOM 3444 C CA . GLY D 2 25 ? -12.188 12.350 25.657 1.00 16.45 ? 25 GLY D CA 1 +ATOM 3445 C C . GLY D 2 25 ? -11.852 13.370 26.543 1.00 12.17 ? 25 GLY D C 1 +ATOM 3446 O O . GLY D 2 25 ? -10.851 14.085 26.162 1.00 21.20 ? 25 GLY D O 1 +ATOM 3447 N N . GLU D 2 26 ? -12.460 13.474 27.705 1.00 15.97 ? 26 GLU D N 1 +ATOM 3448 C CA . GLU D 2 26 ? -12.152 14.515 28.557 1.00 13.66 ? 26 GLU D CA 1 +ATOM 3449 C C . GLU D 2 26 ? -10.557 14.406 29.156 1.00 11.75 ? 26 GLU D C 1 +ATOM 3450 O O . GLU D 2 26 ? -9.912 15.423 29.196 1.00 13.88 ? 26 GLU D O 1 +ATOM 3451 C CB . GLU D 2 26 ? -13.123 14.726 29.831 1.00 18.62 ? 26 GLU D CB 1 +ATOM 3452 C CG . GLU D 2 26 ? -14.188 16.572 29.376 1.00 39.81 ? 26 GLU D CG 1 +ATOM 3453 C CD . GLU D 2 26 ? -12.894 16.082 30.681 1.00 31.77 ? 26 GLU D CD 1 +ATOM 3454 O OE1 . GLU D 2 26 ? -13.289 17.828 30.717 1.00 34.99 ? 26 GLU D OE1 1 +ATOM 3455 O OE2 . GLU D 2 26 ? -14.399 15.969 31.477 1.00 54.79 ? 26 GLU D OE2 1 +ATOM 3456 N N . ALA D 2 27 ? -10.347 13.228 29.564 1.00 12.60 ? 27 ALA D N 1 +ATOM 3457 C CA . ALA D 2 27 ? -8.949 12.868 30.128 1.00 17.85 ? 27 ALA D CA 1 +ATOM 3458 C C . ALA D 2 27 ? -7.850 13.176 29.161 1.00 15.51 ? 27 ALA D C 1 +ATOM 3459 O O . ALA D 2 27 ? -6.855 13.911 29.420 1.00 14.90 ? 27 ALA D O 1 +ATOM 3460 C CB . ALA D 2 27 ? -8.896 11.574 30.777 1.00 15.58 ? 27 ALA D CB 1 +ATOM 3461 N N . LEU D 2 28 ? -8.001 12.691 27.938 1.00 16.04 ? 28 LEU D N 1 +ATOM 3462 C CA . LEU D 2 28 ? -7.021 12.868 26.889 1.00 11.08 ? 28 LEU D CA 1 +ATOM 3463 C C . LEU D 2 28 ? -6.874 14.257 26.635 1.00 13.51 ? 28 LEU D C 1 +ATOM 3464 O O . LEU D 2 28 ? -5.774 14.841 26.314 1.00 14.05 ? 28 LEU D O 1 +ATOM 3465 C CB . LEU D 2 28 ? -7.318 12.029 25.637 1.00 12.20 ? 28 LEU D CB 1 +ATOM 3466 C CG . LEU D 2 28 ? -6.054 12.043 24.605 1.00 28.52 ? 28 LEU D CG 1 +ATOM 3467 C CD1 . LEU D 2 28 ? -4.874 11.596 25.317 1.00 36.95 ? 28 LEU D CD1 1 +ATOM 3468 C CD2 . LEU D 2 28 ? -6.499 11.363 23.512 1.00 34.25 ? 28 LEU D CD2 1 +ATOM 3469 N N . GLY D 2 29 ? -8.055 15.036 26.323 1.00 12.33 ? 29 GLY D N 1 +ATOM 3470 C CA . GLY D 2 29 ? -8.082 16.413 26.098 1.00 13.25 ? 29 GLY D CA 1 +ATOM 3471 C C . GLY D 2 29 ? -7.264 17.259 27.110 1.00 12.50 ? 29 GLY D C 1 +ATOM 3472 O O . GLY D 2 29 ? -6.525 18.181 26.694 1.00 16.69 ? 29 GLY D O 1 +ATOM 3473 N N . ARG D 2 30 ? -7.651 16.962 28.330 1.00 15.15 ? 30 ARG D N 1 +ATOM 3474 C CA . ARG D 2 30 ? -6.952 17.711 29.330 1.00 17.77 ? 30 ARG D CA 1 +ATOM 3475 C C . ARG D 2 30 ? -5.473 17.416 29.428 1.00 14.35 ? 30 ARG D C 1 +ATOM 3476 O O . ARG D 2 30 ? -4.736 18.387 29.661 1.00 14.59 ? 30 ARG D O 1 +ATOM 3477 C CB . ARG D 2 30 ? -7.784 17.510 30.710 1.00 15.53 ? 30 ARG D CB 1 +ATOM 3478 C CG . ARG D 2 30 ? -9.052 18.260 30.959 1.00 16.65 ? 30 ARG D CG 1 +ATOM 3479 C CD . ARG D 2 30 ? -9.694 17.989 32.143 1.00 28.01 ? 30 ARG D CD 1 +ATOM 3480 N NE . ARG D 2 30 ? -10.782 18.510 32.366 1.00 23.10 ? 30 ARG D NE 1 +ATOM 3481 C CZ . ARG D 2 30 ? -11.218 19.589 32.911 1.00 16.06 ? 30 ARG D CZ 1 +ATOM 3482 N NH1 . ARG D 2 30 ? -12.376 20.084 33.152 1.00 17.46 ? 30 ARG D NH1 1 +ATOM 3483 N NH2 . ARG D 2 30 ? -10.366 20.253 33.854 1.00 10.32 ? 30 ARG D NH2 1 +ATOM 3484 N N . LEU D 2 31 ? -5.090 16.308 29.208 1.00 15.53 ? 31 LEU D N 1 +ATOM 3485 C CA . LEU D 2 31 ? -3.720 16.020 29.031 1.00 14.63 ? 31 LEU D CA 1 +ATOM 3486 C C . LEU D 2 31 ? -2.934 17.040 28.180 1.00 16.67 ? 31 LEU D C 1 +ATOM 3487 O O . LEU D 2 31 ? -1.909 17.489 28.340 1.00 15.33 ? 31 LEU D O 1 +ATOM 3488 C CB . LEU D 2 31 ? -3.385 14.471 28.727 1.00 12.02 ? 31 LEU D CB 1 +ATOM 3489 C CG . LEU D 2 31 ? -1.994 14.084 28.648 1.00 17.81 ? 31 LEU D CG 1 +ATOM 3490 C CD1 . LEU D 2 31 ? -1.285 13.877 29.979 1.00 18.94 ? 31 LEU D CD1 1 +ATOM 3491 C CD2 . LEU D 2 31 ? -1.814 12.913 27.800 1.00 18.38 ? 31 LEU D CD2 1 +ATOM 3492 N N . LEU D 2 32 ? -3.593 16.981 26.876 1.00 8.95 ? 32 LEU D N 1 +ATOM 3493 C CA . LEU D 2 32 ? -3.068 17.791 25.894 1.00 13.61 ? 32 LEU D CA 1 +ATOM 3494 C C . LEU D 2 32 ? -3.063 19.193 26.147 1.00 13.07 ? 32 LEU D C 1 +ATOM 3495 O O . LEU D 2 32 ? -2.160 20.018 25.560 1.00 15.98 ? 32 LEU D O 1 +ATOM 3496 C CB . LEU D 2 32 ? -3.694 17.478 24.626 1.00 14.00 ? 32 LEU D CB 1 +ATOM 3497 C CG . LEU D 2 32 ? -3.365 16.122 24.112 1.00 23.55 ? 32 LEU D CG 1 +ATOM 3498 C CD1 . LEU D 2 32 ? -4.407 15.861 22.841 1.00 25.80 ? 32 LEU D CD1 1 +ATOM 3499 C CD2 . LEU D 2 32 ? -2.276 15.484 23.939 1.00 26.67 ? 32 LEU D CD2 1 +ATOM 3500 N N . VAL D 2 33 ? -4.034 19.732 27.005 1.00 13.83 ? 33 VAL D N 1 +ATOM 3501 C CA . VAL D 2 33 ? -4.155 21.214 27.399 1.00 13.13 ? 33 VAL D CA 1 +ATOM 3502 C C . VAL D 2 33 ? -3.024 21.494 28.382 1.00 16.82 ? 33 VAL D C 1 +ATOM 3503 O O . VAL D 2 33 ? -2.443 22.499 28.367 1.00 15.10 ? 33 VAL D O 1 +ATOM 3504 C CB . VAL D 2 33 ? -5.581 21.447 27.790 1.00 11.59 ? 33 VAL D CB 1 +ATOM 3505 C CG1 . VAL D 2 33 ? -5.545 22.833 28.313 1.00 21.42 ? 33 VAL D CG1 1 +ATOM 3506 C CG2 . VAL D 2 33 ? -6.447 21.404 26.485 1.00 18.60 ? 33 VAL D CG2 1 +ATOM 3507 N N . VAL D 2 34 ? -3.179 20.690 29.465 1.00 12.61 ? 34 VAL D N 1 +ATOM 3508 C CA . VAL D 2 34 ? -2.460 21.056 30.666 1.00 13.03 ? 34 VAL D CA 1 +ATOM 3509 C C . VAL D 2 34 ? -0.965 20.975 30.488 1.00 15.88 ? 34 VAL D C 1 +ATOM 3510 O O . VAL D 2 34 ? -0.192 21.524 31.192 1.00 16.40 ? 34 VAL D O 1 +ATOM 3511 C CB . VAL D 2 34 ? -3.052 20.377 31.966 1.00 15.07 ? 34 VAL D CB 1 +ATOM 3512 C CG1 . VAL D 2 34 ? -2.235 20.513 33.158 1.00 13.90 ? 34 VAL D CG1 1 +ATOM 3513 C CG2 . VAL D 2 34 ? -4.455 20.818 32.193 1.00 18.23 ? 34 VAL D CG2 1 +ATOM 3514 N N . TYR D 2 35 ? -0.611 19.818 29.788 1.00 11.62 ? 35 TYR D N 1 +ATOM 3515 C CA . TYR D 2 35 ? 0.841 19.416 29.575 1.00 14.47 ? 35 TYR D CA 1 +ATOM 3516 C C . TYR D 2 35 ? 0.955 19.363 27.998 1.00 16.31 ? 35 TYR D C 1 +ATOM 3517 O O . TYR D 2 35 ? 1.108 18.244 27.443 1.00 17.14 ? 35 TYR D O 1 +ATOM 3518 C CB . TYR D 2 35 ? 1.042 18.023 30.126 1.00 14.04 ? 35 TYR D CB 1 +ATOM 3519 C CG . TYR D 2 35 ? 0.668 17.871 31.513 1.00 16.50 ? 35 TYR D CG 1 +ATOM 3520 C CD1 . TYR D 2 35 ? 1.430 18.580 32.422 1.00 16.28 ? 35 TYR D CD1 1 +ATOM 3521 C CD2 . TYR D 2 35 ? -0.282 17.215 31.952 1.00 21.92 ? 35 TYR D CD2 1 +ATOM 3522 C CE1 . TYR D 2 35 ? 1.275 18.601 33.883 1.00 18.51 ? 35 TYR D CE1 1 +ATOM 3523 C CE2 . TYR D 2 35 ? -0.563 17.205 33.318 1.00 25.13 ? 35 TYR D CE2 1 +ATOM 3524 C CZ . TYR D 2 35 ? 0.220 17.834 34.263 1.00 19.91 ? 35 TYR D CZ 1 +ATOM 3525 O OH . TYR D 2 35 ? -0.317 17.844 35.599 1.00 21.91 ? 35 TYR D OH 1 +ATOM 3526 N N . PRO D 2 36 ? 1.144 20.561 27.440 1.00 14.59 ? 36 PRO D N 1 +ATOM 3527 C CA . PRO D 2 36 ? 1.097 20.557 25.815 1.00 16.73 ? 36 PRO D CA 1 +ATOM 3528 C C . PRO D 2 36 ? 2.215 19.894 25.100 1.00 13.23 ? 36 PRO D C 1 +ATOM 3529 O O . PRO D 2 36 ? 2.004 19.535 23.916 1.00 15.17 ? 36 PRO D O 1 +ATOM 3530 C CB . PRO D 2 36 ? 0.923 22.086 25.619 1.00 24.30 ? 36 PRO D CB 1 +ATOM 3531 C CG . PRO D 2 36 ? 1.397 22.726 26.914 1.00 25.67 ? 36 PRO D CG 1 +ATOM 3532 C CD . PRO D 2 36 ? 1.182 21.785 27.886 1.00 17.58 ? 36 PRO D CD 1 +ATOM 3533 N N . TRP D 2 37 ? 3.339 19.527 25.839 1.00 13.75 ? 37 TRP D N 1 +ATOM 3534 C CA . TRP D 2 37 ? 4.287 18.875 25.146 1.00 15.13 ? 37 TRP D CA 1 +ATOM 3535 C C . TRP D 2 37 ? 3.976 17.467 24.807 1.00 14.32 ? 37 TRP D C 1 +ATOM 3536 O O . TRP D 2 37 ? 4.491 16.809 23.810 1.00 19.70 ? 37 TRP D O 1 +ATOM 3537 C CB . TRP D 2 37 ? 5.593 18.777 25.996 1.00 13.13 ? 37 TRP D CB 1 +ATOM 3538 C CG . TRP D 2 37 ? 5.442 18.275 27.445 1.00 8.65 ? 37 TRP D CG 1 +ATOM 3539 C CD1 . TRP D 2 37 ? 5.572 17.038 27.908 1.00 13.10 ? 37 TRP D CD1 1 +ATOM 3540 C CD2 . TRP D 2 37 ? 5.232 19.094 28.699 1.00 14.59 ? 37 TRP D CD2 1 +ATOM 3541 N NE1 . TRP D 2 37 ? 5.519 16.937 29.212 1.00 17.65 ? 37 TRP D NE1 1 +ATOM 3542 C CE2 . TRP D 2 37 ? 5.109 18.185 29.669 1.00 16.05 ? 37 TRP D CE2 1 +ATOM 3543 C CE3 . TRP D 2 37 ? 4.863 20.419 28.889 1.00 11.20 ? 37 TRP D CE3 1 +ATOM 3544 C CZ2 . TRP D 2 37 ? 4.948 18.598 31.166 1.00 26.88 ? 37 TRP D CZ2 1 +ATOM 3545 C CZ3 . TRP D 2 37 ? 4.499 20.859 30.171 1.00 11.28 ? 37 TRP D CZ3 1 +ATOM 3546 C CH2 . TRP D 2 37 ? 4.692 19.881 31.135 1.00 16.90 ? 37 TRP D CH2 1 +ATOM 3547 N N . THR D 2 38 ? 2.886 16.922 25.439 1.00 16.64 ? 38 THR D N 1 +ATOM 3548 C CA . THR D 2 38 ? 2.279 15.632 25.171 1.00 14.14 ? 38 THR D CA 1 +ATOM 3549 C C . THR D 2 38 ? 1.753 15.612 23.657 1.00 18.16 ? 38 THR D C 1 +ATOM 3550 O O . THR D 2 38 ? 1.414 14.497 23.146 1.00 16.15 ? 38 THR D O 1 +ATOM 3551 C CB . THR D 2 38 ? 1.172 15.206 26.129 1.00 11.09 ? 38 THR D CB 1 +ATOM 3552 O OG1 . THR D 2 38 ? 0.118 16.074 26.157 1.00 14.48 ? 38 THR D OG1 1 +ATOM 3553 C CG2 . THR D 2 38 ? 1.918 14.925 27.370 1.00 16.14 ? 38 THR D CG2 1 +ATOM 3554 N N . GLN D 2 39 ? 1.369 16.888 23.154 1.00 12.07 ? 39 GLN D N 1 +ATOM 3555 C CA . GLN D 2 39 ? 0.788 16.834 21.801 1.00 10.72 ? 39 GLN D CA 1 +ATOM 3556 C C . GLN D 2 39 ? 1.782 16.440 20.761 1.00 16.84 ? 39 GLN D C 1 +ATOM 3557 O O . GLN D 2 39 ? 1.457 16.070 19.685 1.00 21.52 ? 39 GLN D O 1 +ATOM 3558 C CB . GLN D 2 39 ? 0.644 18.385 21.518 1.00 13.63 ? 39 GLN D CB 1 +ATOM 3559 C CG . GLN D 2 39 ? -0.469 18.790 22.447 1.00 17.04 ? 39 GLN D CG 1 +ATOM 3560 C CD . GLN D 2 39 ? -0.712 20.174 22.133 1.00 23.47 ? 39 GLN D CD 1 +ATOM 3561 O OE1 . GLN D 2 39 ? -0.217 20.929 21.053 1.00 25.04 ? 39 GLN D OE1 1 +ATOM 3562 N NE2 . GLN D 2 39 ? -1.425 20.941 23.093 1.00 28.38 ? 39 GLN D NE2 1 +ATOM 3563 N N . ARG D 2 40 ? 3.169 16.130 21.037 1.00 12.32 ? 40 ARG D N 1 +ATOM 3564 C CA . ARG D 2 40 ? 4.313 15.722 20.258 1.00 16.79 ? 40 ARG D CA 1 +ATOM 3565 C C . ARG D 2 40 ? 3.742 14.501 19.713 1.00 17.58 ? 40 ARG D C 1 +ATOM 3566 O O . ARG D 2 40 ? 4.352 13.997 18.482 1.00 20.86 ? 40 ARG D O 1 +ATOM 3567 C CB . ARG D 2 40 ? 5.431 15.240 21.141 1.00 22.83 ? 40 ARG D CB 1 +ATOM 3568 C CG . ARG D 2 40 ? 5.589 14.263 21.838 1.00 37.26 ? 40 ARG D CG 1 +ATOM 3569 C CD . ARG D 2 40 ? 6.966 14.500 22.611 1.00 23.75 ? 40 ARG D CD 1 +ATOM 3570 N NE . ARG D 2 40 ? 8.091 14.529 22.000 1.00 28.71 ? 40 ARG D NE 1 +ATOM 3571 C CZ . ARG D 2 40 ? 8.546 13.446 21.122 1.00 41.77 ? 40 ARG D CZ 1 +ATOM 3572 N NH1 . ARG D 2 40 ? 8.306 12.392 21.501 1.00 31.05 ? 40 ARG D NH1 1 +ATOM 3573 N NH2 . ARG D 2 40 ? 9.856 13.951 20.709 1.00 37.79 ? 40 ARG D NH2 1 +ATOM 3574 N N . PHE D 2 41 ? 2.837 13.601 20.156 1.00 15.17 ? 41 PHE D N 1 +ATOM 3575 C CA . PHE D 2 41 ? 2.466 12.283 19.683 1.00 16.55 ? 41 PHE D CA 1 +ATOM 3576 C C . PHE D 2 41 ? 1.139 12.469 18.585 1.00 20.00 ? 41 PHE D C 1 +ATOM 3577 O O . PHE D 2 41 ? 0.893 11.285 18.312 1.00 23.52 ? 41 PHE D O 1 +ATOM 3578 C CB . PHE D 2 41 ? 2.112 11.188 20.703 1.00 13.75 ? 41 PHE D CB 1 +ATOM 3579 C CG . PHE D 2 41 ? 3.390 11.045 21.728 1.00 12.41 ? 41 PHE D CG 1 +ATOM 3580 C CD1 . PHE D 2 41 ? 3.334 11.831 22.940 1.00 16.97 ? 41 PHE D CD1 1 +ATOM 3581 C CD2 . PHE D 2 41 ? 4.388 10.383 21.340 1.00 18.05 ? 41 PHE D CD2 1 +ATOM 3582 C CE1 . PHE D 2 41 ? 4.534 11.379 23.527 1.00 23.07 ? 41 PHE D CE1 1 +ATOM 3583 C CE2 . PHE D 2 41 ? 5.649 10.243 22.053 1.00 24.82 ? 41 PHE D CE2 1 +ATOM 3584 C CZ . PHE D 2 41 ? 5.469 10.894 23.293 1.00 25.09 ? 41 PHE D CZ 1 +ATOM 3585 N N . PHE D 2 42 ? 0.736 13.624 18.567 1.00 15.21 ? 42 PHE D N 1 +ATOM 3586 C CA . PHE D 2 42 ? -0.594 13.543 18.060 1.00 14.18 ? 42 PHE D CA 1 +ATOM 3587 C C . PHE D 2 42 ? -0.709 14.419 16.840 1.00 19.41 ? 42 PHE D C 1 +ATOM 3588 O O . PHE D 2 42 ? -1.639 15.320 16.588 1.00 18.71 ? 42 PHE D O 1 +ATOM 3589 C CB . PHE D 2 42 ? -1.647 13.942 18.951 1.00 21.58 ? 42 PHE D CB 1 +ATOM 3590 C CG . PHE D 2 42 ? -1.779 12.702 19.949 1.00 17.63 ? 42 PHE D CG 1 +ATOM 3591 C CD1 . PHE D 2 42 ? -1.146 13.236 21.415 1.00 20.37 ? 42 PHE D CD1 1 +ATOM 3592 C CD2 . PHE D 2 42 ? -2.404 11.476 19.753 1.00 20.14 ? 42 PHE D CD2 1 +ATOM 3593 C CE1 . PHE D 2 42 ? -1.373 12.026 22.264 1.00 27.02 ? 42 PHE D CE1 1 +ATOM 3594 C CE2 . PHE D 2 42 ? -2.374 10.556 20.656 1.00 27.08 ? 42 PHE D CE2 1 +ATOM 3595 C CZ . PHE D 2 42 ? -1.814 10.933 22.060 1.00 18.28 ? 42 PHE D CZ 1 +ATOM 3596 N N . GLU D 2 43 ? 0.555 14.470 16.272 1.00 32.32 ? 43 GLU D N 1 +ATOM 3597 C CA . GLU D 2 43 ? 0.518 15.755 15.308 1.00 33.61 ? 43 GLU D CA 1 +ATOM 3598 C C . GLU D 2 43 ? -0.610 15.692 13.734 1.00 12.75 ? 43 GLU D C 1 +ATOM 3599 O O . GLU D 2 43 ? -0.815 16.648 13.305 1.00 26.94 ? 43 GLU D O 1 +ATOM 3600 C CB . GLU D 2 43 ? 1.452 15.695 14.586 1.00 65.31 ? 43 GLU D CB 1 +ATOM 3601 C CG . GLU D 2 43 ? 2.122 15.519 14.233 1.00 43.00 ? 43 GLU D CG 1 +ATOM 3602 C CD . GLU D 2 43 ? 3.200 16.627 15.368 1.00 32.00 ? 43 GLU D CD 1 +ATOM 3603 O OE1 . GLU D 2 43 ? 2.726 18.154 15.261 1.00 29.89 ? 43 GLU D OE1 1 +ATOM 3604 O OE2 . GLU D 2 43 ? 4.662 17.157 15.678 1.00 58.55 ? 43 GLU D OE2 1 +ATOM 3605 N N . SER D 2 44 ? -0.860 14.341 13.723 1.00 19.02 ? 44 SER D N 1 +ATOM 3606 C CA . SER D 2 44 ? -1.752 13.785 12.602 1.00 25.67 ? 44 SER D CA 1 +ATOM 3607 C C . SER D 2 44 ? -2.950 14.205 13.024 1.00 26.66 ? 44 SER D C 1 +ATOM 3608 O O . SER D 2 44 ? -4.065 14.043 12.463 1.00 32.13 ? 44 SER D O 1 +ATOM 3609 C CB . SER D 2 44 ? -1.781 12.457 12.398 1.00 42.87 ? 44 SER D CB 1 +ATOM 3610 O OG . SER D 2 44 ? -2.245 11.599 13.186 1.00 44.29 ? 44 SER D OG 1 +ATOM 3611 N N . PHE D 2 45 ? -3.524 14.749 14.284 1.00 27.34 ? 45 PHE D N 1 +ATOM 3612 C CA . PHE D 2 45 ? -4.912 14.923 14.815 1.00 24.93 ? 45 PHE D CA 1 +ATOM 3613 C C . PHE D 2 45 ? -5.529 16.448 14.301 1.00 23.30 ? 45 PHE D C 1 +ATOM 3614 O O . PHE D 2 45 ? -6.784 16.280 14.827 1.00 31.71 ? 45 PHE D O 1 +ATOM 3615 C CB . PHE D 2 45 ? -4.790 14.822 16.348 1.00 26.07 ? 45 PHE D CB 1 +ATOM 3616 C CG . PHE D 2 45 ? -4.937 13.410 16.728 1.00 19.10 ? 45 PHE D CG 1 +ATOM 3617 C CD1 . PHE D 2 45 ? -5.462 13.235 18.047 1.00 43.96 ? 45 PHE D CD1 1 +ATOM 3618 C CD2 . PHE D 2 45 ? -4.642 12.334 16.222 1.00 26.17 ? 45 PHE D CD2 1 +ATOM 3619 C CE1 . PHE D 2 45 ? -5.540 11.694 18.489 1.00 29.49 ? 45 PHE D CE1 1 +ATOM 3620 C CE2 . PHE D 2 45 ? -4.576 11.056 16.662 1.00 32.75 ? 45 PHE D CE2 1 +ATOM 3621 C CZ . PHE D 2 45 ? -5.140 10.619 17.735 1.00 28.04 ? 45 PHE D CZ 1 +ATOM 3622 N N . GLY D 2 46 ? -4.976 17.029 13.971 1.00 35.08 ? 46 GLY D N 1 +ATOM 3623 C CA . GLY D 2 46 ? -5.663 18.107 13.666 1.00 34.51 ? 46 GLY D CA 1 +ATOM 3624 C C . GLY D 2 46 ? -5.445 19.748 14.426 1.00 32.00 ? 46 GLY D C 1 +ATOM 3625 O O . GLY D 2 46 ? -4.132 19.446 14.809 1.00 42.65 ? 46 GLY D O 1 +ATOM 3626 N N . ASP D 2 47 ? -6.609 20.220 14.854 1.00 33.75 ? 47 ASP D N 1 +ATOM 3627 C CA . ASP D 2 47 ? -5.368 21.899 14.875 1.00 43.29 ? 47 ASP D CA 1 +ATOM 3628 C C . ASP D 2 47 ? -5.953 21.259 17.141 1.00 24.69 ? 47 ASP D C 1 +ATOM 3629 O O . ASP D 2 47 ? -7.210 20.795 17.273 1.00 33.08 ? 47 ASP D O 1 +ATOM 3630 C CB . ASP D 2 47 ? -7.250 22.379 14.876 1.00 48.49 ? 47 ASP D CB 1 +ATOM 3631 C CG . ASP D 2 47 ? -7.024 23.961 15.603 1.00 50.77 ? 47 ASP D CG 1 +ATOM 3632 O OD1 . ASP D 2 47 ? -8.290 24.345 15.588 1.00 57.75 ? 47 ASP D OD1 1 +ATOM 3633 O OD2 . ASP D 2 47 ? -5.859 24.326 15.726 1.00 45.03 ? 47 ASP D OD2 1 +ATOM 3634 N N . LEU D 2 48 ? -4.839 21.609 17.351 1.00 25.73 ? 48 LEU D N 1 +ATOM 3635 C CA . LEU D 2 48 ? -4.614 21.236 19.012 1.00 29.97 ? 48 LEU D CA 1 +ATOM 3636 C C . LEU D 2 48 ? -4.356 22.697 19.812 1.00 32.06 ? 48 LEU D C 1 +ATOM 3637 O O . LEU D 2 48 ? -3.483 22.675 20.752 1.00 36.43 ? 48 LEU D O 1 +ATOM 3638 C CB . LEU D 2 48 ? -3.485 20.507 19.028 1.00 41.80 ? 48 LEU D CB 1 +ATOM 3639 C CG . LEU D 2 48 ? -4.131 19.086 18.662 1.00 22.03 ? 48 LEU D CG 1 +ATOM 3640 C CD1 . LEU D 2 48 ? -2.764 18.027 18.946 1.00 37.56 ? 48 LEU D CD1 1 +ATOM 3641 C CD2 . LEU D 2 48 ? -5.434 18.510 19.194 1.00 29.67 ? 48 LEU D CD2 1 +ATOM 3642 N N . SER D 2 49 ? -4.712 23.785 18.825 1.00 38.40 ? 49 SER D N 1 +ATOM 3643 C CA . SER D 2 49 ? -3.694 24.938 19.115 1.00 43.30 ? 49 SER D CA 1 +ATOM 3644 C C . SER D 2 49 ? -4.538 26.126 20.275 1.00 46.97 ? 49 SER D C 1 +ATOM 3645 O O . SER D 2 49 ? -3.694 26.522 21.319 1.00 46.32 ? 49 SER D O 1 +ATOM 3646 C CB . SER D 2 49 ? -3.847 26.023 17.936 1.00 47.25 ? 49 SER D CB 1 +ATOM 3647 O OG . SER D 2 49 ? -5.194 26.397 17.689 1.00 49.74 ? 49 SER D OG 1 +ATOM 3648 N N . THR D 2 50 ? -5.777 25.636 20.358 1.00 43.91 ? 50 THR D N 1 +ATOM 3649 C CA . THR D 2 50 ? -5.849 26.077 22.006 1.00 36.95 ? 50 THR D CA 1 +ATOM 3650 C C . THR D 2 50 ? -7.139 25.182 22.693 1.00 36.10 ? 50 THR D C 1 +ATOM 3651 O O . THR D 2 50 ? -7.492 24.147 22.063 1.00 28.99 ? 50 THR D O 1 +ATOM 3652 C CB . THR D 2 50 ? -7.457 27.261 21.332 1.00 37.26 ? 50 THR D CB 1 +ATOM 3653 O OG1 . THR D 2 50 ? -8.756 26.720 20.713 1.00 36.38 ? 50 THR D OG1 1 +ATOM 3654 C CG2 . THR D 2 50 ? -6.757 28.315 20.562 1.00 56.40 ? 50 THR D CG2 1 +ATOM 3655 N N . PRO D 2 51 ? -7.512 25.462 23.851 1.00 37.42 ? 51 PRO D N 1 +ATOM 3656 C CA . PRO D 2 51 ? -8.332 24.663 24.610 1.00 32.59 ? 51 PRO D CA 1 +ATOM 3657 C C . PRO D 2 51 ? -9.508 24.112 24.121 1.00 29.25 ? 51 PRO D C 1 +ATOM 3658 O O . PRO D 2 51 ? -10.079 22.866 24.103 1.00 26.15 ? 51 PRO D O 1 +ATOM 3659 C CB . PRO D 2 51 ? -8.592 25.471 25.978 1.00 37.41 ? 51 PRO D CB 1 +ATOM 3660 C CG . PRO D 2 51 ? -7.364 26.143 26.051 1.00 36.57 ? 51 PRO D CG 1 +ATOM 3661 C CD . PRO D 2 51 ? -6.905 26.754 24.543 1.00 42.54 ? 51 PRO D CD 1 +ATOM 3662 N N . ASP D 2 52 ? -10.302 25.101 23.369 1.00 30.65 ? 52 ASP D N 1 +ATOM 3663 C CA . ASP D 2 52 ? -11.863 24.475 22.836 1.00 39.40 ? 52 ASP D CA 1 +ATOM 3664 C C . ASP D 2 52 ? -11.353 23.586 21.588 1.00 56.69 ? 52 ASP D C 1 +ATOM 3665 O O . ASP D 2 52 ? -12.242 22.836 21.462 1.00 40.69 ? 52 ASP D O 1 +ATOM 3666 C CB . ASP D 2 52 ? -12.285 25.844 22.532 1.00 43.19 ? 52 ASP D CB 1 +ATOM 3667 C CG . ASP D 2 52 ? -12.845 27.083 23.638 1.00 63.04 ? 52 ASP D CG 1 +ATOM 3668 O OD1 . ASP D 2 52 ? -12.875 26.403 24.543 1.00 49.71 ? 52 ASP D OD1 1 +ATOM 3669 O OD2 . ASP D 2 52 ? -10.565 27.945 23.807 1.00 60.40 ? 52 ASP D OD2 1 +ATOM 3670 N N . ALA D 2 53 ? -10.482 24.050 20.860 1.00 26.05 ? 53 ALA D N 1 +ATOM 3671 C CA . ALA D 2 53 ? -10.066 23.415 19.717 1.00 33.75 ? 53 ALA D CA 1 +ATOM 3672 C C . ALA D 2 53 ? -9.706 21.714 20.002 1.00 42.76 ? 53 ALA D C 1 +ATOM 3673 O O . ALA D 2 53 ? -10.050 20.911 19.824 1.00 38.58 ? 53 ALA D O 1 +ATOM 3674 C CB . ALA D 2 53 ? -9.013 23.676 19.014 1.00 40.18 ? 53 ALA D CB 1 +ATOM 3675 N N . VAL D 2 54 ? -8.604 21.730 21.102 1.00 27.10 ? 54 VAL D N 1 +ATOM 3676 C CA . VAL D 2 54 ? -8.333 20.245 21.677 1.00 25.12 ? 54 VAL D CA 1 +ATOM 3677 C C . VAL D 2 54 ? -9.504 19.647 22.180 1.00 26.50 ? 54 VAL D C 1 +ATOM 3678 O O . VAL D 2 54 ? -9.901 18.373 21.823 1.00 24.76 ? 54 VAL D O 1 +ATOM 3679 C CB . VAL D 2 54 ? -7.239 20.560 22.712 1.00 26.67 ? 54 VAL D CB 1 +ATOM 3680 C CG1 . VAL D 2 54 ? -7.129 19.006 23.293 1.00 25.19 ? 54 VAL D CG1 1 +ATOM 3681 C CG2 . VAL D 2 54 ? -6.139 21.045 22.323 1.00 31.48 ? 54 VAL D CG2 1 +ATOM 3682 N N . MET D 2 55 ? -10.565 20.221 22.979 1.00 25.87 ? 55 MET D N 1 +ATOM 3683 C CA . MET D 2 55 ? -11.629 19.456 23.590 1.00 29.84 ? 55 MET D CA 1 +ATOM 3684 C C . MET D 2 55 ? -13.050 19.098 22.385 1.00 35.52 ? 55 MET D C 1 +ATOM 3685 O O . MET D 2 55 ? -13.443 18.078 22.769 1.00 32.07 ? 55 MET D O 1 +ATOM 3686 C CB . MET D 2 55 ? -12.288 20.389 24.814 1.00 26.28 ? 55 MET D CB 1 +ATOM 3687 C CG . MET D 2 55 ? -11.386 20.485 25.674 1.00 36.16 ? 55 MET D CG 1 +ATOM 3688 S SD . MET D 2 55 ? -10.260 19.313 26.642 1.00 25.36 ? 55 MET D SD 1 +ATOM 3689 C CE . MET D 2 55 ? -11.478 18.411 27.213 1.00 19.21 ? 55 MET D CE 1 +ATOM 3690 N N . GLY D 2 56 ? -12.706 20.117 21.518 1.00 30.97 ? 56 GLY D N 1 +ATOM 3691 C CA . GLY D 2 56 ? -13.876 19.519 20.829 1.00 35.09 ? 56 GLY D CA 1 +ATOM 3692 C C . GLY D 2 56 ? -13.378 18.656 19.701 1.00 44.75 ? 56 GLY D C 1 +ATOM 3693 O O . GLY D 2 56 ? -13.862 18.366 18.521 1.00 34.49 ? 56 GLY D O 1 +ATOM 3694 N N . ASN D 2 57 ? -12.009 18.431 19.287 1.00 25.90 ? 57 ASN D N 1 +ATOM 3695 C CA . ASN D 2 57 ? -11.361 17.710 18.254 1.00 29.86 ? 57 ASN D CA 1 +ATOM 3696 C C . ASN D 2 57 ? -11.866 16.331 18.408 1.00 26.15 ? 57 ASN D C 1 +ATOM 3697 O O . ASN D 2 57 ? -11.928 15.394 19.177 1.00 26.55 ? 57 ASN D O 1 +ATOM 3698 C CB . ASN D 2 57 ? -9.894 17.820 18.357 1.00 30.42 ? 57 ASN D CB 1 +ATOM 3699 C CG . ASN D 2 57 ? -9.245 17.042 17.310 1.00 23.49 ? 57 ASN D CG 1 +ATOM 3700 O OD1 . ASN D 2 57 ? -9.378 15.869 16.906 1.00 31.02 ? 57 ASN D OD1 1 +ATOM 3701 N ND2 . ASN D 2 57 ? -8.358 17.725 16.884 1.00 27.30 ? 57 ASN D ND2 1 +ATOM 3702 N N . PRO D 2 58 ? -12.452 15.845 17.208 1.00 29.25 ? 58 PRO D N 1 +ATOM 3703 C CA . PRO D 2 58 ? -13.131 14.529 17.192 1.00 25.97 ? 58 PRO D CA 1 +ATOM 3704 C C . PRO D 2 58 ? -11.869 13.412 17.167 1.00 16.05 ? 58 PRO D C 1 +ATOM 3705 O O . PRO D 2 58 ? -12.367 12.214 17.772 1.00 24.61 ? 58 PRO D O 1 +ATOM 3706 C CB . PRO D 2 58 ? -13.856 14.302 15.729 1.00 33.18 ? 58 PRO D CB 1 +ATOM 3707 C CG . PRO D 2 58 ? -12.983 16.101 15.724 1.00 59.49 ? 58 PRO D CG 1 +ATOM 3708 C CD . PRO D 2 58 ? -12.904 16.285 15.619 1.00 43.36 ? 58 PRO D CD 1 +ATOM 3709 N N . LYS D 2 59 ? -10.814 13.556 16.702 1.00 21.03 ? 59 LYS D N 1 +ATOM 3710 C CA . LYS D 2 59 ? -9.844 12.639 16.760 1.00 25.38 ? 59 LYS D CA 1 +ATOM 3711 C C . LYS D 2 59 ? -9.152 12.307 18.341 1.00 17.84 ? 59 LYS D C 1 +ATOM 3712 O O . LYS D 2 59 ? -8.920 11.109 18.549 1.00 21.39 ? 59 LYS D O 1 +ATOM 3713 C CB . LYS D 2 59 ? -8.725 12.767 15.846 1.00 32.15 ? 59 LYS D CB 1 +ATOM 3714 C CG . LYS D 2 59 ? -8.998 12.567 14.411 1.00 48.59 ? 59 LYS D CG 1 +ATOM 3715 C CD . LYS D 2 59 ? -8.385 13.051 13.829 1.00 53.12 ? 59 LYS D CD 1 +ATOM 3716 C CE . LYS D 2 59 ? -7.645 12.227 12.310 1.00 53.54 ? 59 LYS D CE 1 +ATOM 3717 N NZ . LYS D 2 59 ? -8.428 13.116 11.202 1.00 62.98 ? 59 LYS D NZ 1 +ATOM 3718 N N . VAL D 2 60 ? -9.307 13.560 18.909 1.00 18.98 ? 60 VAL D N 1 +ATOM 3719 C CA . VAL D 2 60 ? -9.026 13.424 20.544 1.00 19.06 ? 60 VAL D CA 1 +ATOM 3720 C C . VAL D 2 60 ? -9.834 12.542 21.124 1.00 17.34 ? 60 VAL D C 1 +ATOM 3721 O O . VAL D 2 60 ? -9.645 11.682 22.042 1.00 23.46 ? 60 VAL D O 1 +ATOM 3722 C CB . VAL D 2 60 ? -8.615 14.847 20.995 1.00 21.26 ? 60 VAL D CB 1 +ATOM 3723 C CG1 . VAL D 2 60 ? -8.715 14.623 22.622 1.00 33.14 ? 60 VAL D CG1 1 +ATOM 3724 C CG2 . VAL D 2 60 ? -7.625 15.562 20.290 1.00 22.06 ? 60 VAL D CG2 1 +ATOM 3725 N N . LYS D 2 61 ? -11.257 12.916 21.005 1.00 22.59 ? 61 LYS D N 1 +ATOM 3726 C CA . LYS D 2 61 ? -12.389 12.115 21.523 1.00 26.15 ? 61 LYS D CA 1 +ATOM 3727 C C . LYS D 2 61 ? -12.383 10.709 21.251 1.00 17.30 ? 61 LYS D C 1 +ATOM 3728 O O . LYS D 2 61 ? -12.358 9.777 22.054 1.00 21.45 ? 61 LYS D O 1 +ATOM 3729 C CB . LYS D 2 61 ? -13.783 12.701 21.249 1.00 26.85 ? 61 LYS D CB 1 +ATOM 3730 C CG . LYS D 2 61 ? -13.929 14.186 21.730 1.00 38.21 ? 61 LYS D CG 1 +ATOM 3731 C CD . LYS D 2 61 ? -14.977 14.603 21.141 1.00 63.66 ? 61 LYS D CD 1 +ATOM 3732 C CE . LYS D 2 61 ? -15.833 15.917 21.862 1.00 68.06 ? 61 LYS D CE 1 +ATOM 3733 N NZ . LYS D 2 61 ? -16.870 16.253 21.283 1.00 60.84 ? 61 LYS D NZ 1 +ATOM 3734 N N . ALA D 2 62 ? -12.043 10.369 19.968 1.00 19.16 ? 62 ALA D N 1 +ATOM 3735 C CA . ALA D 2 62 ? -11.956 8.912 19.500 1.00 20.58 ? 62 ALA D CA 1 +ATOM 3736 C C . ALA D 2 62 ? -10.898 8.037 20.192 1.00 20.27 ? 62 ALA D C 1 +ATOM 3737 O O . ALA D 2 62 ? -11.050 6.990 20.669 1.00 20.37 ? 62 ALA D O 1 +ATOM 3738 C CB . ALA D 2 62 ? -11.828 8.953 18.037 1.00 22.88 ? 62 ALA D CB 1 +ATOM 3739 N N . HIS D 2 63 ? -9.737 8.834 20.241 1.00 19.01 ? 63 HIS D N 1 +ATOM 3740 C CA . HIS D 2 63 ? -8.612 8.090 20.860 1.00 22.19 ? 63 HIS D CA 1 +ATOM 3741 C C . HIS D 2 63 ? -8.743 8.054 22.405 1.00 18.77 ? 63 HIS D C 1 +ATOM 3742 O O . HIS D 2 63 ? -8.277 6.980 22.894 1.00 19.91 ? 63 HIS D O 1 +ATOM 3743 C CB . HIS D 2 63 ? -7.488 8.607 20.573 1.00 33.38 ? 63 HIS D CB 1 +ATOM 3744 C CG . HIS D 2 63 ? -5.896 8.079 20.729 1.00 22.34 ? 63 HIS D CG 1 +ATOM 3745 N ND1 . HIS D 2 63 ? -5.786 6.912 20.207 1.00 25.81 ? 63 HIS D ND1 1 +ATOM 3746 C CD2 . HIS D 2 63 ? -5.209 8.477 21.930 1.00 33.81 ? 63 HIS D CD2 1 +ATOM 3747 C CE1 . HIS D 2 63 ? -4.537 6.551 21.193 1.00 24.99 ? 63 HIS D CE1 1 +ATOM 3748 N NE2 . HIS D 2 63 ? -4.230 7.653 21.515 1.00 32.42 ? 63 HIS D NE2 1 +ATOM 3749 N N . GLY D 2 64 ? -9.242 9.132 22.851 1.00 15.38 ? 64 GLY D N 1 +ATOM 3750 C CA . GLY D 2 64 ? -9.554 9.024 24.227 1.00 18.66 ? 64 GLY D CA 1 +ATOM 3751 C C . GLY D 2 64 ? -10.447 7.880 24.864 1.00 23.30 ? 64 GLY D C 1 +ATOM 3752 O O . GLY D 2 64 ? -10.228 7.092 25.688 1.00 21.27 ? 64 GLY D O 1 +ATOM 3753 N N . LYS D 2 65 ? -11.464 7.546 23.815 1.00 22.12 ? 65 LYS D N 1 +ATOM 3754 C CA . LYS D 2 65 ? -12.263 6.273 24.130 1.00 26.40 ? 65 LYS D CA 1 +ATOM 3755 C C . LYS D 2 65 ? -11.523 4.997 23.937 1.00 25.29 ? 65 LYS D C 1 +ATOM 3756 O O . LYS D 2 65 ? -11.789 4.125 24.765 1.00 24.58 ? 65 LYS D O 1 +ATOM 3757 C CB . LYS D 2 65 ? -13.404 6.447 22.983 1.00 42.10 ? 65 LYS D CB 1 +ATOM 3758 C CG . LYS D 2 65 ? -14.100 5.158 23.392 1.00 41.04 ? 65 LYS D CG 1 +ATOM 3759 C CD . LYS D 2 65 ? -15.188 5.627 21.460 1.00 41.66 ? 65 LYS D CD 1 +ATOM 3760 C CE . LYS D 2 65 ? -15.685 3.513 21.833 1.00 58.61 ? 65 LYS D CE 1 +ATOM 3761 N NZ . LYS D 2 65 ? -17.034 3.866 21.031 1.00 49.59 ? 65 LYS D NZ 1 +ATOM 3762 N N . LYS D 2 66 ? -10.562 4.917 22.975 1.00 22.59 ? 66 LYS D N 1 +ATOM 3763 C CA . LYS D 2 66 ? -9.754 3.721 22.658 1.00 23.91 ? 66 LYS D CA 1 +ATOM 3764 C C . LYS D 2 66 ? -9.155 3.530 24.092 1.00 25.32 ? 66 LYS D C 1 +ATOM 3765 O O . LYS D 2 66 ? -8.855 2.360 24.522 1.00 23.23 ? 66 LYS D O 1 +ATOM 3766 C CB . LYS D 2 66 ? -8.951 3.909 21.488 1.00 18.18 ? 66 LYS D CB 1 +ATOM 3767 C CG . LYS D 2 66 ? -8.199 3.427 20.843 1.00 49.93 ? 66 LYS D CG 1 +ATOM 3768 C CD . LYS D 2 66 ? -8.276 3.340 18.783 1.00 31.44 ? 66 LYS D CD 1 +ATOM 3769 C CE . LYS D 2 66 ? -7.754 1.136 18.911 1.00 50.83 ? 66 LYS D CE 1 +ATOM 3770 N NZ . LYS D 2 66 ? -6.349 0.958 17.571 1.00 53.30 ? 66 LYS D NZ 1 +ATOM 3771 N N . VAL D 2 67 ? -8.303 4.650 24.559 1.00 17.89 ? 67 VAL D N 1 +ATOM 3772 C CA . VAL D 2 67 ? -7.407 4.231 25.736 1.00 17.07 ? 67 VAL D CA 1 +ATOM 3773 C C . VAL D 2 67 ? -8.116 4.025 26.853 1.00 11.37 ? 67 VAL D C 1 +ATOM 3774 O O . VAL D 2 67 ? -7.746 3.109 27.634 1.00 18.26 ? 67 VAL D O 1 +ATOM 3775 C CB . VAL D 2 67 ? -6.515 5.745 25.639 1.00 18.16 ? 67 VAL D CB 1 +ATOM 3776 C CG1 . VAL D 2 67 ? -6.137 5.772 27.197 1.00 22.61 ? 67 VAL D CG1 1 +ATOM 3777 C CG2 . VAL D 2 67 ? -5.729 6.006 24.428 1.00 19.30 ? 67 VAL D CG2 1 +ATOM 3778 N N . LEU D 2 68 ? -9.240 4.638 27.165 1.00 12.24 ? 68 LEU D N 1 +ATOM 3779 C CA . LEU D 2 68 ? -9.850 4.367 28.407 1.00 14.83 ? 68 LEU D CA 1 +ATOM 3780 C C . LEU D 2 68 ? -10.660 3.010 28.456 1.00 13.25 ? 68 LEU D C 1 +ATOM 3781 O O . LEU D 2 68 ? -10.869 2.247 29.355 1.00 18.25 ? 68 LEU D O 1 +ATOM 3782 C CB . LEU D 2 68 ? -10.932 5.325 28.975 1.00 23.35 ? 68 LEU D CB 1 +ATOM 3783 C CG . LEU D 2 68 ? -10.864 6.001 30.117 1.00 32.52 ? 68 LEU D CG 1 +ATOM 3784 C CD1 . LEU D 2 68 ? -9.971 5.868 30.964 1.00 40.78 ? 68 LEU D CD1 1 +ATOM 3785 C CD2 . LEU D 2 68 ? -11.770 6.928 30.372 1.00 39.22 ? 68 LEU D CD2 1 +ATOM 3786 N N . GLY D 2 69 ? -11.036 2.649 27.122 1.00 22.38 ? 69 GLY D N 1 +ATOM 3787 C CA . GLY D 2 69 ? -11.414 1.282 26.939 1.00 27.48 ? 69 GLY D CA 1 +ATOM 3788 C C . GLY D 2 69 ? -10.534 0.068 27.326 1.00 17.57 ? 69 GLY D C 1 +ATOM 3789 O O . GLY D 2 69 ? -10.839 -0.765 28.070 1.00 21.01 ? 69 GLY D O 1 +ATOM 3790 N N . ALA D 2 70 ? -9.237 0.350 26.893 1.00 17.61 ? 70 ALA D N 1 +ATOM 3791 C CA . ALA D 2 70 ? -8.214 -0.639 27.268 1.00 17.42 ? 70 ALA D CA 1 +ATOM 3792 C C . ALA D 2 70 ? -7.977 -0.546 28.684 1.00 19.59 ? 70 ALA D C 1 +ATOM 3793 O O . ALA D 2 70 ? -7.636 -1.593 29.526 1.00 18.72 ? 70 ALA D O 1 +ATOM 3794 C CB . ALA D 2 70 ? -7.063 -0.292 26.421 1.00 18.83 ? 70 ALA D CB 1 +ATOM 3795 N N . PHE D 2 71 ? -8.028 0.658 29.208 1.00 18.97 ? 71 PHE D N 1 +ATOM 3796 C CA . PHE D 2 71 ? -7.876 0.928 30.811 1.00 24.55 ? 71 PHE D CA 1 +ATOM 3797 C C . PHE D 2 71 ? -9.029 0.141 31.539 1.00 22.73 ? 71 PHE D C 1 +ATOM 3798 O O . PHE D 2 71 ? -8.675 -0.580 32.378 1.00 26.00 ? 71 PHE D O 1 +ATOM 3799 C CB . PHE D 2 71 ? -7.797 2.431 31.037 1.00 18.78 ? 71 PHE D CB 1 +ATOM 3800 C CG . PHE D 2 71 ? -7.722 2.749 32.539 1.00 15.63 ? 71 PHE D CG 1 +ATOM 3801 C CD1 . PHE D 2 71 ? -6.365 3.115 32.922 1.00 23.81 ? 71 PHE D CD1 1 +ATOM 3802 C CD2 . PHE D 2 71 ? -9.070 2.790 33.111 1.00 34.86 ? 71 PHE D CD2 1 +ATOM 3803 C CE1 . PHE D 2 71 ? -6.362 3.277 34.322 1.00 19.91 ? 71 PHE D CE1 1 +ATOM 3804 C CE2 . PHE D 2 71 ? -8.645 2.966 34.544 1.00 36.36 ? 71 PHE D CE2 1 +ATOM 3805 C CZ . PHE D 2 71 ? -7.330 3.237 35.109 1.00 26.08 ? 71 PHE D CZ 1 +ATOM 3806 N N . SER D 2 72 ? -10.196 0.193 30.881 1.00 19.94 ? 72 SER D N 1 +ATOM 3807 C CA . SER D 2 72 ? -11.329 -0.461 31.259 1.00 23.38 ? 72 SER D CA 1 +ATOM 3808 C C . SER D 2 72 ? -11.054 -1.833 31.745 1.00 24.72 ? 72 SER D C 1 +ATOM 3809 O O . SER D 2 72 ? -11.342 -2.677 32.746 1.00 26.53 ? 72 SER D O 1 +ATOM 3810 C CB . SER D 2 72 ? -12.987 -0.317 31.167 1.00 29.23 ? 72 SER D CB 1 +ATOM 3811 O OG . SER D 2 72 ? -12.857 0.959 30.829 1.00 41.11 ? 72 SER D OG 1 +ATOM 3812 N N . ASP D 2 73 ? -10.722 -2.476 30.534 1.00 28.33 ? 73 ASP D N 1 +ATOM 3813 C CA . ASP D 2 73 ? -10.123 -3.743 30.555 1.00 41.54 ? 73 ASP D CA 1 +ATOM 3814 C C . ASP D 2 73 ? -9.475 -4.425 31.315 1.00 28.94 ? 73 ASP D C 1 +ATOM 3815 O O . ASP D 2 73 ? -9.466 -5.326 32.089 1.00 34.21 ? 73 ASP D O 1 +ATOM 3816 C CB . ASP D 2 73 ? -9.724 -4.601 28.955 1.00 46.96 ? 73 ASP D CB 1 +ATOM 3817 C CG . ASP D 2 73 ? -10.954 -4.359 28.687 1.00 54.92 ? 73 ASP D CG 1 +ATOM 3818 O OD1 . ASP D 2 73 ? -12.180 -3.681 27.956 1.00 44.49 ? 73 ASP D OD1 1 +ATOM 3819 O OD2 . ASP D 2 73 ? -10.386 -3.942 26.542 1.00 50.27 ? 73 ASP D OD2 1 +ATOM 3820 N N . GLY D 2 74 ? -8.374 -3.470 32.005 1.00 26.75 ? 74 GLY D N 1 +ATOM 3821 C CA . GLY D 2 74 ? -7.529 -3.845 33.010 1.00 22.69 ? 74 GLY D CA 1 +ATOM 3822 C C . GLY D 2 74 ? -7.920 -3.797 34.476 1.00 23.14 ? 74 GLY D C 1 +ATOM 3823 O O . GLY D 2 74 ? -7.528 -4.432 35.451 1.00 29.20 ? 74 GLY D O 1 +ATOM 3824 N N . LEU D 2 75 ? -9.130 -2.980 34.529 1.00 21.18 ? 75 LEU D N 1 +ATOM 3825 C CA . LEU D 2 75 ? -9.801 -3.227 35.793 1.00 34.17 ? 75 LEU D CA 1 +ATOM 3826 C C . LEU D 2 75 ? -10.241 -4.540 36.183 1.00 37.46 ? 75 LEU D C 1 +ATOM 3827 O O . LEU D 2 75 ? -10.652 -4.663 37.259 1.00 40.90 ? 75 LEU D O 1 +ATOM 3828 C CB . LEU D 2 75 ? -10.804 -1.867 35.854 1.00 36.63 ? 75 LEU D CB 1 +ATOM 3829 C CG . LEU D 2 75 ? -10.450 -0.567 36.230 1.00 28.96 ? 75 LEU D CG 1 +ATOM 3830 C CD1 . LEU D 2 75 ? -9.127 -0.603 36.701 1.00 54.84 ? 75 LEU D CD1 1 +ATOM 3831 C CD2 . LEU D 2 75 ? -10.796 0.541 35.801 1.00 41.72 ? 75 LEU D CD2 1 +ATOM 3832 N N . ALA D 2 76 ? -10.655 -5.131 35.130 1.00 36.74 ? 76 ALA D N 1 +ATOM 3833 C CA . ALA D 2 76 ? -11.087 -7.017 34.993 1.00 46.27 ? 76 ALA D CA 1 +ATOM 3834 C C . ALA D 2 76 ? -10.078 -7.313 35.204 1.00 39.68 ? 76 ALA D C 1 +ATOM 3835 O O . ALA D 2 76 ? -10.169 -8.663 35.825 1.00 39.55 ? 76 ALA D O 1 +ATOM 3836 C CB . ALA D 2 76 ? -11.633 -6.572 33.839 1.00 52.59 ? 76 ALA D CB 1 +ATOM 3837 N N . HIS D 2 77 ? -8.750 -7.014 35.590 1.00 34.88 ? 77 HIS D N 1 +ATOM 3838 C CA . HIS D 2 77 ? -7.821 -7.922 35.838 1.00 37.75 ? 77 HIS D CA 1 +ATOM 3839 C C . HIS D 2 77 ? -6.406 -7.315 36.454 1.00 36.30 ? 77 HIS D C 1 +ATOM 3840 O O . HIS D 2 77 ? -5.202 -7.364 36.420 1.00 30.91 ? 77 HIS D O 1 +ATOM 3841 C CB . HIS D 2 77 ? -6.809 -8.470 34.515 1.00 35.95 ? 77 HIS D CB 1 +ATOM 3842 C CG . HIS D 2 77 ? -7.630 -9.148 33.544 1.00 39.15 ? 77 HIS D CG 1 +ATOM 3843 N ND1 . HIS D 2 77 ? -8.204 -8.210 32.652 1.00 58.22 ? 77 HIS D ND1 1 +ATOM 3844 C CD2 . HIS D 2 77 ? -7.652 -10.563 33.475 1.00 48.66 ? 77 HIS D CD2 1 +ATOM 3845 C CE1 . HIS D 2 77 ? -9.352 -9.416 31.720 1.00 49.77 ? 77 HIS D CE1 1 +ATOM 3846 N NE2 . HIS D 2 77 ? -9.158 -10.158 32.425 1.00 36.55 ? 77 HIS D NE2 1 +ATOM 3847 N N . LEU D 2 78 ? -6.990 -6.739 37.768 1.00 30.38 ? 78 LEU D N 1 +ATOM 3848 C CA . LEU D 2 78 ? -6.267 -6.392 38.731 1.00 35.53 ? 78 LEU D CA 1 +ATOM 3849 C C . LEU D 2 78 ? -5.054 -6.608 39.330 1.00 31.52 ? 78 LEU D C 1 +ATOM 3850 O O . LEU D 2 78 ? -4.210 -6.312 39.810 1.00 30.87 ? 78 LEU D O 1 +ATOM 3851 C CB . LEU D 2 78 ? -7.145 -5.144 39.672 1.00 35.71 ? 78 LEU D CB 1 +ATOM 3852 C CG . LEU D 2 78 ? -7.268 -3.603 39.393 1.00 42.09 ? 78 LEU D CG 1 +ATOM 3853 C CD1 . LEU D 2 78 ? -8.691 -3.415 40.303 1.00 40.33 ? 78 LEU D CD1 1 +ATOM 3854 C CD2 . LEU D 2 78 ? -6.868 -2.931 38.988 1.00 43.79 ? 78 LEU D CD2 1 +ATOM 3855 N N . ASP D 2 79 ? -5.280 -8.088 39.342 1.00 27.09 ? 79 ASP D N 1 +ATOM 3856 C CA . ASP D 2 79 ? -4.129 -8.571 40.068 1.00 39.93 ? 79 ASP D CA 1 +ATOM 3857 C C . ASP D 2 79 ? -3.004 -9.514 38.971 1.00 38.31 ? 79 ASP D C 1 +ATOM 3858 O O . ASP D 2 79 ? -1.888 -9.798 39.229 1.00 37.24 ? 79 ASP D O 1 +ATOM 3859 C CB . ASP D 2 79 ? -4.915 -10.113 40.132 1.00 49.19 ? 79 ASP D CB 1 +ATOM 3860 C CG . ASP D 2 79 ? -6.011 -9.894 40.633 1.00 60.14 ? 79 ASP D CG 1 +ATOM 3861 O OD1 . ASP D 2 79 ? -6.615 -11.491 41.656 1.00 58.54 ? 79 ASP D OD1 1 +ATOM 3862 O OD2 . ASP D 2 79 ? -5.199 -9.424 42.378 1.00 49.76 ? 79 ASP D OD2 1 +ATOM 3863 N N . ASN D 2 80 ? -3.552 -8.871 37.829 1.00 33.30 ? 80 ASN D N 1 +ATOM 3864 C CA . ASN D 2 80 ? -2.127 -9.093 36.829 1.00 41.52 ? 80 ASN D CA 1 +ATOM 3865 C C . ASN D 2 80 ? -2.369 -8.063 35.456 1.00 29.72 ? 80 ASN D C 1 +ATOM 3866 O O . ASN D 2 80 ? -2.129 -8.409 34.476 1.00 26.63 ? 80 ASN D O 1 +ATOM 3867 C CB . ASN D 2 80 ? -2.224 -10.100 36.253 1.00 65.88 ? 80 ASN D CB 1 +ATOM 3868 C CG . ASN D 2 80 ? -2.322 -11.145 35.550 1.00 79.70 ? 80 ASN D CG 1 +ATOM 3869 O OD1 . ASN D 2 80 ? -0.819 -11.569 34.989 1.00 64.12 ? 80 ASN D OD1 1 +ATOM 3870 N ND2 . ASN D 2 80 ? -3.542 -11.010 35.462 1.00 80.04 ? 80 ASN D ND2 1 +ATOM 3871 N N . LEU D 2 81 ? -1.846 -6.974 36.152 1.00 24.36 ? 81 LEU D N 1 +ATOM 3872 C CA . LEU D 2 81 ? -1.812 -5.882 35.180 1.00 25.83 ? 81 LEU D CA 1 +ATOM 3873 C C . LEU D 2 81 ? -0.619 -6.084 34.147 1.00 31.94 ? 81 LEU D C 1 +ATOM 3874 O O . LEU D 2 81 ? -0.785 -5.796 32.956 1.00 25.17 ? 81 LEU D O 1 +ATOM 3875 C CB . LEU D 2 81 ? -1.618 -4.729 36.033 1.00 20.37 ? 81 LEU D CB 1 +ATOM 3876 C CG . LEU D 2 81 ? -2.921 -4.096 36.613 1.00 25.65 ? 81 LEU D CG 1 +ATOM 3877 C CD1 . LEU D 2 81 ? -2.687 -3.196 37.443 1.00 40.59 ? 81 LEU D CD1 1 +ATOM 3878 C CD2 . LEU D 2 81 ? -4.062 -3.952 35.870 1.00 23.30 ? 81 LEU D CD2 1 +ATOM 3879 N N . LYS D 2 82 ? 0.590 -6.479 34.724 1.00 30.20 ? 82 LYS D N 1 +ATOM 3880 C CA . LYS D 2 82 ? 1.630 -6.697 33.684 1.00 28.24 ? 82 LYS D CA 1 +ATOM 3881 C C . LYS D 2 82 ? 1.231 -7.600 32.646 1.00 33.91 ? 82 LYS D C 1 +ATOM 3882 O O . LYS D 2 82 ? 1.489 -7.495 31.492 1.00 25.48 ? 82 LYS D O 1 +ATOM 3883 C CB . LYS D 2 82 ? 2.935 -7.216 34.513 1.00 33.73 ? 82 LYS D CB 1 +ATOM 3884 C CG . LYS D 2 82 ? 3.615 -6.233 34.988 1.00 40.61 ? 82 LYS D CG 1 +ATOM 3885 C CD . LYS D 2 82 ? 5.270 -6.749 35.740 1.00 64.29 ? 82 LYS D CD 1 +ATOM 3886 C CE . LYS D 2 82 ? 4.871 -4.616 36.799 1.00 50.61 ? 82 LYS D CE 1 +ATOM 3887 N NZ . LYS D 2 82 ? 5.281 -6.232 37.797 1.00 57.77 ? 82 LYS D NZ 1 +ATOM 3888 N N . GLY D 2 83 ? 0.459 -8.915 32.793 1.00 30.21 ? 83 GLY D N 1 +ATOM 3889 C CA . GLY D 2 83 ? 0.370 -9.915 31.786 1.00 23.41 ? 83 GLY D CA 1 +ATOM 3890 C C . GLY D 2 83 ? -0.769 -9.467 31.084 1.00 31.79 ? 83 GLY D C 1 +ATOM 3891 O O . GLY D 2 83 ? -0.658 -9.293 29.599 1.00 27.38 ? 83 GLY D O 1 +ATOM 3892 N N . THR D 2 84 ? -1.808 -8.394 31.501 1.00 27.06 ? 84 THR D N 1 +ATOM 3893 C CA . THR D 2 84 ? -2.762 -7.938 30.700 1.00 31.17 ? 84 THR D CA 1 +ATOM 3894 C C . THR D 2 84 ? -2.036 -7.040 29.476 1.00 35.08 ? 84 THR D C 1 +ATOM 3895 O O . THR D 2 84 ? -2.823 -6.787 28.636 1.00 26.93 ? 84 THR D O 1 +ATOM 3896 C CB . THR D 2 84 ? -3.896 -7.137 31.498 1.00 26.68 ? 84 THR D CB 1 +ATOM 3897 O OG1 . THR D 2 84 ? -4.265 -8.031 32.250 1.00 41.82 ? 84 THR D OG1 1 +ATOM 3898 C CG2 . THR D 2 84 ? -5.082 -6.415 30.894 1.00 32.36 ? 84 THR D CG2 1 +ATOM 3899 N N . PHE D 2 85 ? -1.296 -6.110 30.189 1.00 23.78 ? 85 PHE D N 1 +ATOM 3900 C CA . PHE D 2 85 ? -0.960 -4.804 29.274 1.00 17.94 ? 85 PHE D CA 1 +ATOM 3901 C C . PHE D 2 85 ? 0.347 -5.217 28.453 1.00 20.32 ? 85 PHE D C 1 +ATOM 3902 O O . PHE D 2 85 ? 1.061 -4.377 27.758 1.00 18.46 ? 85 PHE D O 1 +ATOM 3903 C CB . PHE D 2 85 ? -0.615 -3.687 30.151 1.00 16.82 ? 85 PHE D CB 1 +ATOM 3904 C CG . PHE D 2 85 ? -1.992 -3.104 30.340 1.00 15.41 ? 85 PHE D CG 1 +ATOM 3905 C CD1 . PHE D 2 85 ? -2.473 -3.199 31.723 1.00 21.43 ? 85 PHE D CD1 1 +ATOM 3906 C CD2 . PHE D 2 85 ? -2.650 -2.338 29.446 1.00 29.52 ? 85 PHE D CD2 1 +ATOM 3907 C CE1 . PHE D 2 85 ? -3.772 -2.604 32.121 1.00 27.35 ? 85 PHE D CE1 1 +ATOM 3908 C CE2 . PHE D 2 85 ? -4.035 -1.925 29.866 1.00 23.38 ? 85 PHE D CE2 1 +ATOM 3909 C CZ . PHE D 2 85 ? -4.715 -2.007 31.138 1.00 20.96 ? 85 PHE D CZ 1 +ATOM 3910 N N . ALA D 2 86 ? 1.005 -6.402 28.558 1.00 16.78 ? 86 ALA D N 1 +ATOM 3911 C CA . ALA D 2 86 ? 2.480 -6.623 27.990 1.00 21.66 ? 86 ALA D CA 1 +ATOM 3912 C C . ALA D 2 86 ? 2.353 -6.370 26.367 1.00 13.70 ? 86 ALA D C 1 +ATOM 3913 O O . ALA D 2 86 ? 3.329 -5.701 25.891 1.00 16.83 ? 86 ALA D O 1 +ATOM 3914 C CB . ALA D 2 86 ? 2.727 -8.280 27.947 1.00 23.60 ? 86 ALA D CB 1 +ATOM 3915 N N . THR D 2 87 ? 1.304 -6.754 25.769 1.00 17.09 ? 87 THR D N 1 +ATOM 3916 C CA . THR D 2 87 ? 1.374 -6.426 24.324 1.00 15.85 ? 87 THR D CA 1 +ATOM 3917 C C . THR D 2 87 ? 1.385 -4.890 23.958 1.00 17.61 ? 87 THR D C 1 +ATOM 3918 O O . THR D 2 87 ? 2.108 -4.435 23.135 1.00 21.97 ? 87 THR D O 1 +ATOM 3919 C CB . THR D 2 87 ? 0.107 -7.089 23.607 1.00 23.34 ? 87 THR D CB 1 +ATOM 3920 O OG1 . THR D 2 87 ? 0.209 -8.494 23.879 1.00 26.37 ? 87 THR D OG1 1 +ATOM 3921 C CG2 . THR D 2 87 ? 0.248 -7.031 22.206 1.00 26.08 ? 87 THR D CG2 1 +ATOM 3922 N N . LEU D 2 88 ? 0.437 -4.264 24.552 1.00 19.60 ? 88 LEU D N 1 +ATOM 3923 C CA . LEU D 2 88 ? 0.354 -2.894 24.389 1.00 18.18 ? 88 LEU D CA 1 +ATOM 3924 C C . LEU D 2 88 ? 1.618 -2.083 24.969 1.00 15.66 ? 88 LEU D C 1 +ATOM 3925 O O . LEU D 2 88 ? 2.101 -1.046 24.363 1.00 16.54 ? 88 LEU D O 1 +ATOM 3926 C CB . LEU D 2 88 ? -0.877 -2.229 25.116 1.00 24.93 ? 88 LEU D CB 1 +ATOM 3927 C CG . LEU D 2 88 ? -2.151 -2.463 24.340 1.00 29.68 ? 88 LEU D CG 1 +ATOM 3928 C CD1 . LEU D 2 88 ? -3.166 -2.157 25.370 1.00 33.11 ? 88 LEU D CD1 1 +ATOM 3929 C CD2 . LEU D 2 88 ? -2.112 -1.945 23.113 1.00 21.96 ? 88 LEU D CD2 1 +ATOM 3930 N N . SER D 2 89 ? 2.220 -2.755 26.095 1.00 21.20 ? 89 SER D N 1 +ATOM 3931 C CA . SER D 2 89 ? 3.512 -2.255 26.594 1.00 17.78 ? 89 SER D CA 1 +ATOM 3932 C C . SER D 2 89 ? 4.586 -2.042 25.459 1.00 16.70 ? 89 SER D C 1 +ATOM 3933 O O . SER D 2 89 ? 5.389 -1.176 25.059 1.00 15.86 ? 89 SER D O 1 +ATOM 3934 C CB . SER D 2 89 ? 4.125 -2.988 27.687 1.00 19.29 ? 89 SER D CB 1 +ATOM 3935 O OG . SER D 2 89 ? 5.262 -2.362 28.200 1.00 14.95 ? 89 SER D OG 1 +ATOM 3936 N N . GLU D 2 90 ? 4.840 -3.312 24.808 1.00 15.58 ? 90 GLU D N 1 +ATOM 3937 C CA . GLU D 2 90 ? 5.608 -3.427 23.575 1.00 21.65 ? 90 GLU D CA 1 +ATOM 3938 C C . GLU D 2 90 ? 5.326 -2.506 22.383 1.00 13.57 ? 90 GLU D C 1 +ATOM 3939 O O . GLU D 2 90 ? 6.140 -1.944 21.856 1.00 18.38 ? 90 GLU D O 1 +ATOM 3940 C CB . GLU D 2 90 ? 5.605 -5.012 23.350 1.00 19.08 ? 90 GLU D CB 1 +ATOM 3941 C CG . GLU D 2 90 ? 6.857 -5.032 22.503 1.00 38.09 ? 90 GLU D CG 1 +ATOM 3942 C CD . GLU D 2 90 ? 6.802 -7.459 22.518 1.00 62.85 ? 90 GLU D CD 1 +ATOM 3943 O OE1 . GLU D 2 90 ? 6.360 -7.013 21.004 1.00 54.38 ? 90 GLU D OE1 1 +ATOM 3944 O OE2 . GLU D 2 90 ? 5.716 -7.581 23.171 1.00 49.69 ? 90 GLU D OE2 1 +ATOM 3945 N N . LEU D 2 91 ? 4.012 -2.449 22.221 1.00 12.64 ? 91 LEU D N 1 +ATOM 3946 C CA . LEU D 2 91 ? 3.798 -1.514 21.234 1.00 11.29 ? 91 LEU D CA 1 +ATOM 3947 C C . LEU D 2 91 ? 4.193 -0.028 21.310 1.00 14.82 ? 91 LEU D C 1 +ATOM 3948 O O . LEU D 2 91 ? 4.567 0.805 20.478 1.00 14.36 ? 91 LEU D O 1 +ATOM 3949 C CB . LEU D 2 91 ? 2.220 -1.626 21.025 1.00 13.30 ? 91 LEU D CB 1 +ATOM 3950 C CG . LEU D 2 91 ? 1.438 -0.601 20.105 1.00 17.13 ? 91 LEU D CG 1 +ATOM 3951 C CD1 . LEU D 2 91 ? 1.945 -0.805 18.489 1.00 25.95 ? 91 LEU D CD1 1 +ATOM 3952 C CD2 . LEU D 2 91 ? 0.005 -0.521 20.139 1.00 20.87 ? 91 LEU D CD2 1 +ATOM 3953 N N . HIS D 2 92 ? 3.827 0.419 22.684 1.00 14.55 ? 92 HIS D N 1 +ATOM 3954 C CA . HIS D 2 92 ? 3.932 1.978 22.792 1.00 18.41 ? 92 HIS D CA 1 +ATOM 3955 C C . HIS D 2 92 ? 5.663 2.049 23.081 1.00 25.22 ? 92 HIS D C 1 +ATOM 3956 O O . HIS D 2 92 ? 6.024 3.142 22.630 1.00 15.09 ? 92 HIS D O 1 +ATOM 3957 C CB . HIS D 2 92 ? 3.581 2.071 24.217 1.00 16.94 ? 92 HIS D CB 1 +ATOM 3958 C CG . HIS D 2 92 ? 2.067 2.591 24.193 1.00 14.87 ? 92 HIS D CG 1 +ATOM 3959 N ND1 . HIS D 2 92 ? 1.075 1.405 24.078 1.00 14.65 ? 92 HIS D ND1 1 +ATOM 3960 C CD2 . HIS D 2 92 ? 1.163 3.595 24.191 1.00 12.93 ? 92 HIS D CD2 1 +ATOM 3961 C CE1 . HIS D 2 92 ? -0.103 2.199 24.076 1.00 12.97 ? 92 HIS D CE1 1 +ATOM 3962 N NE2 . HIS D 2 92 ? -0.200 3.438 23.869 1.00 18.10 ? 92 HIS D NE2 1 +ATOM 3963 N N . CYS D 2 93 ? 6.415 0.987 23.308 1.00 16.12 ? 93 CYS D N 1 +ATOM 3964 C CA . CYS D 2 93 ? 7.983 1.187 23.132 1.00 16.35 ? 93 CYS D CA 1 +ATOM 3965 C C . CYS D 2 93 ? 8.423 1.240 21.584 1.00 18.55 ? 93 CYS D C 1 +ATOM 3966 O O . CYS D 2 93 ? 8.983 2.089 21.306 1.00 17.22 ? 93 CYS D O 1 +ATOM 3967 C CB . CYS D 2 93 ? 8.388 0.156 24.148 1.00 20.93 ? 93 CYS D CB 1 +ATOM 3968 S SG . CYS D 2 93 ? 10.370 0.363 23.998 1.00 18.90 ? 93 CYS D SG 1 +ATOM 3969 N N . ASP D 2 94 ? 8.081 -0.020 21.158 1.00 14.32 ? 94 ASP D N 1 +ATOM 3970 C CA . ASP D 2 94 ? 8.975 -0.311 19.769 1.00 16.01 ? 94 ASP D CA 1 +ATOM 3971 C C . ASP D 2 94 ? 8.295 0.417 18.704 1.00 19.68 ? 94 ASP D C 1 +ATOM 3972 O O . ASP D 2 94 ? 8.925 0.686 17.786 1.00 27.14 ? 94 ASP D O 1 +ATOM 3973 C CB . ASP D 2 94 ? 8.822 -1.803 19.762 1.00 20.44 ? 94 ASP D CB 1 +ATOM 3974 C CG . ASP D 2 94 ? 9.795 -2.754 20.702 1.00 36.43 ? 94 ASP D CG 1 +ATOM 3975 O OD1 . ASP D 2 94 ? 10.260 -1.959 21.229 1.00 32.86 ? 94 ASP D OD1 1 +ATOM 3976 O OD2 . ASP D 2 94 ? 9.080 -4.101 20.613 1.00 40.09 ? 94 ASP D OD2 1 +ATOM 3977 N N . LYS D 2 95 ? 7.025 0.561 18.645 1.00 14.90 ? 95 LYS D N 1 +ATOM 3978 C CA . LYS D 2 95 ? 6.317 1.245 17.392 1.00 16.76 ? 95 LYS D CA 1 +ATOM 3979 C C . LYS D 2 95 ? 6.157 2.593 17.543 1.00 18.82 ? 95 LYS D C 1 +ATOM 3980 O O . LYS D 2 95 ? 6.290 3.558 16.934 1.00 19.72 ? 95 LYS D O 1 +ATOM 3981 C CB . LYS D 2 95 ? 5.075 0.497 16.984 1.00 24.57 ? 95 LYS D CB 1 +ATOM 3982 C CG . LYS D 2 95 ? 5.162 -1.074 17.007 1.00 49.61 ? 95 LYS D CG 1 +ATOM 3983 C CD . LYS D 2 95 ? 6.536 -1.005 15.336 1.00 60.17 ? 95 LYS D CD 1 +ATOM 3984 C CE . LYS D 2 95 ? 7.182 -2.058 14.661 1.00 57.82 ? 95 LYS D CE 1 +ATOM 3985 N NZ . LYS D 2 95 ? 8.312 -1.306 13.212 1.00 59.53 ? 95 LYS D NZ 1 +ATOM 3986 N N . LEU D 2 96 ? 5.519 3.025 18.987 1.00 16.80 ? 96 LEU D N 1 +ATOM 3987 C CA . LEU D 2 96 ? 5.064 4.383 19.141 1.00 16.58 ? 96 LEU D CA 1 +ATOM 3988 C C . LEU D 2 96 ? 6.202 5.373 19.714 1.00 16.01 ? 96 LEU D C 1 +ATOM 3989 O O . LEU D 2 96 ? 5.914 6.557 19.632 1.00 15.73 ? 96 LEU D O 1 +ATOM 3990 C CB . LEU D 2 96 ? 3.752 4.302 19.915 1.00 21.01 ? 96 LEU D CB 1 +ATOM 3991 C CG . LEU D 2 96 ? 2.587 3.450 19.446 1.00 22.06 ? 96 LEU D CG 1 +ATOM 3992 C CD1 . LEU D 2 96 ? 1.378 3.398 20.435 1.00 15.50 ? 96 LEU D CD1 1 +ATOM 3993 C CD2 . LEU D 2 96 ? 2.243 3.991 18.155 1.00 34.04 ? 96 LEU D CD2 1 +ATOM 3994 N N . HIS D 2 97 ? 6.931 4.741 20.483 1.00 18.03 ? 97 HIS D N 1 +ATOM 3995 C CA . HIS D 2 97 ? 8.131 5.556 20.972 1.00 18.48 ? 97 HIS D CA 1 +ATOM 3996 C C . HIS D 2 97 ? 7.673 6.584 22.064 1.00 13.60 ? 97 HIS D C 1 +ATOM 3997 O O . HIS D 2 97 ? 8.046 7.731 22.173 1.00 15.07 ? 97 HIS D O 1 +ATOM 3998 C CB . HIS D 2 97 ? 8.960 6.339 20.025 1.00 24.24 ? 97 HIS D CB 1 +ATOM 3999 C CG . HIS D 2 97 ? 9.533 5.386 18.800 1.00 28.24 ? 97 HIS D CG 1 +ATOM 4000 N ND1 . HIS D 2 97 ? 10.160 4.260 19.120 1.00 26.25 ? 97 HIS D ND1 1 +ATOM 4001 C CD2 . HIS D 2 97 ? 8.970 5.509 17.568 1.00 35.10 ? 97 HIS D CD2 1 +ATOM 4002 C CE1 . HIS D 2 97 ? 10.560 3.540 17.825 1.00 25.85 ? 97 HIS D CE1 1 +ATOM 4003 N NE2 . HIS D 2 97 ? 9.833 4.359 17.187 1.00 28.28 ? 97 HIS D NE2 1 +ATOM 4004 N N . VAL D 2 98 ? 6.602 6.070 22.926 1.00 15.21 ? 98 VAL D N 1 +ATOM 4005 C CA . VAL D 2 98 ? 6.040 7.007 23.861 1.00 14.55 ? 98 VAL D CA 1 +ATOM 4006 C C . VAL D 2 98 ? 6.846 6.965 25.268 1.00 10.52 ? 98 VAL D C 1 +ATOM 4007 O O . VAL D 2 98 ? 6.819 5.840 25.822 1.00 11.77 ? 98 VAL D O 1 +ATOM 4008 C CB . VAL D 2 98 ? 4.634 6.576 24.231 1.00 15.30 ? 98 VAL D CB 1 +ATOM 4009 C CG1 . VAL D 2 98 ? 4.019 7.324 25.397 1.00 15.30 ? 98 VAL D CG1 1 +ATOM 4010 C CG2 . VAL D 2 98 ? 3.854 6.885 22.786 1.00 17.14 ? 98 VAL D CG2 1 +ATOM 4011 N N . ASP D 2 99 ? 7.374 8.054 25.728 1.00 9.86 ? 99 ASP D N 1 +ATOM 4012 C CA . ASP D 2 99 ? 8.017 8.047 27.111 1.00 10.99 ? 99 ASP D CA 1 +ATOM 4013 C C . ASP D 2 99 ? 6.941 7.592 28.066 1.00 12.34 ? 99 ASP D C 1 +ATOM 4014 O O . ASP D 2 99 ? 5.858 8.316 28.095 1.00 15.90 ? 99 ASP D O 1 +ATOM 4015 C CB . ASP D 2 99 ? 8.445 9.450 27.274 1.00 12.59 ? 99 ASP D CB 1 +ATOM 4016 C CG . ASP D 2 99 ? 9.240 9.779 28.695 1.00 12.64 ? 99 ASP D CG 1 +ATOM 4017 O OD1 . ASP D 2 99 ? 9.727 10.961 28.581 1.00 11.35 ? 99 ASP D OD1 1 +ATOM 4018 O OD2 . ASP D 2 99 ? 9.309 8.741 29.442 1.00 14.04 ? 99 ASP D OD2 1 +ATOM 4019 N N . PRO D 2 100 ? 7.197 6.649 28.819 1.00 16.57 ? 100 PRO D N 1 +ATOM 4020 C CA . PRO D 2 100 ? 6.390 6.162 29.965 1.00 11.14 ? 100 PRO D CA 1 +ATOM 4021 C C . PRO D 2 100 ? 5.929 7.307 30.950 1.00 11.03 ? 100 PRO D C 1 +ATOM 4022 O O . PRO D 2 100 ? 4.931 6.949 31.593 1.00 12.40 ? 100 PRO D O 1 +ATOM 4023 C CB . PRO D 2 100 ? 6.808 4.728 30.312 1.00 18.57 ? 100 PRO D CB 1 +ATOM 4024 C CG . PRO D 2 100 ? 8.135 4.655 30.034 1.00 16.52 ? 100 PRO D CG 1 +ATOM 4025 C CD . PRO D 2 100 ? 8.383 5.796 28.883 1.00 15.61 ? 100 PRO D CD 1 +ATOM 4026 N N . GLU D 2 101 ? 6.759 8.347 31.047 1.00 9.29 ? 101 GLU D N 1 +ATOM 4027 C CA . GLU D 2 101 ? 6.358 9.341 31.896 1.00 12.45 ? 101 GLU D CA 1 +ATOM 4028 C C . GLU D 2 101 ? 4.988 9.950 31.582 1.00 20.07 ? 101 GLU D C 1 +ATOM 4029 O O . GLU D 2 101 ? 4.092 10.300 32.471 1.00 15.47 ? 101 GLU D O 1 +ATOM 4030 C CB . GLU D 2 101 ? 7.368 10.418 31.921 1.00 18.48 ? 101 GLU D CB 1 +ATOM 4031 C CG . GLU D 2 101 ? 6.763 11.681 32.917 1.00 30.49 ? 101 GLU D CG 1 +ATOM 4032 C CD . GLU D 2 101 ? 6.620 11.195 34.919 1.00 32.99 ? 101 GLU D CD 1 +ATOM 4033 O OE1 . GLU D 2 101 ? 7.608 10.361 34.777 1.00 22.72 ? 101 GLU D OE1 1 +ATOM 4034 O OE2 . GLU D 2 101 ? 5.955 12.483 34.947 1.00 37.16 ? 101 GLU D OE2 1 +ATOM 4035 N N . ASN D 2 102 ? 4.618 9.786 30.286 1.00 14.86 ? 102 ASN D N 1 +ATOM 4036 C CA . ASN D 2 102 ? 3.233 10.269 29.742 1.00 14.38 ? 102 ASN D CA 1 +ATOM 4037 C C . ASN D 2 102 ? 2.197 9.315 30.341 1.00 12.83 ? 102 ASN D C 1 +ATOM 4038 O O . ASN D 2 102 ? 0.958 9.949 30.702 1.00 15.98 ? 102 ASN D O 1 +ATOM 4039 C CB . ASN D 2 102 ? 3.112 9.986 28.384 1.00 15.85 ? 102 ASN D CB 1 +ATOM 4040 C CG . ASN D 2 102 ? 3.914 11.127 27.705 1.00 20.86 ? 102 ASN D CG 1 +ATOM 4041 O OD1 . ASN D 2 102 ? 3.663 12.211 27.655 1.00 17.49 ? 102 ASN D OD1 1 +ATOM 4042 N ND2 . ASN D 2 102 ? 5.097 10.681 26.981 1.00 22.52 ? 102 ASN D ND2 1 +ATOM 4043 N N . PHE D 2 103 ? 2.310 8.117 30.720 1.00 11.06 ? 103 PHE D N 1 +ATOM 4044 C CA . PHE D 2 103 ? 1.405 7.138 31.360 1.00 11.10 ? 103 PHE D CA 1 +ATOM 4045 C C . PHE D 2 103 ? 0.967 7.783 32.803 1.00 14.83 ? 103 PHE D C 1 +ATOM 4046 O O . PHE D 2 103 ? -0.235 7.710 33.279 1.00 12.07 ? 103 PHE D O 1 +ATOM 4047 C CB . PHE D 2 103 ? 1.786 5.762 31.588 1.00 14.26 ? 103 PHE D CB 1 +ATOM 4048 C CG . PHE D 2 103 ? 2.292 5.238 30.156 1.00 14.43 ? 103 PHE D CG 1 +ATOM 4049 C CD1 . PHE D 2 103 ? 1.508 5.493 28.917 1.00 22.91 ? 103 PHE D CD1 1 +ATOM 4050 C CD2 . PHE D 2 103 ? 3.361 4.323 30.119 1.00 19.84 ? 103 PHE D CD2 1 +ATOM 4051 C CE1 . PHE D 2 103 ? 1.796 4.959 27.707 1.00 22.48 ? 103 PHE D CE1 1 +ATOM 4052 C CE2 . PHE D 2 103 ? 3.641 3.823 28.853 1.00 13.44 ? 103 PHE D CE2 1 +ATOM 4053 C CZ . PHE D 2 103 ? 2.976 4.144 27.632 1.00 16.91 ? 103 PHE D CZ 1 +ATOM 4054 N N . ARG D 2 104 ? 1.961 8.290 33.521 1.00 14.96 ? 104 ARG D N 1 +ATOM 4055 C CA . ARG D 2 104 ? 1.865 8.837 34.858 1.00 18.64 ? 104 ARG D CA 1 +ATOM 4056 C C . ARG D 2 104 ? 0.947 10.193 34.773 1.00 17.76 ? 104 ARG D C 1 +ATOM 4057 O O . ARG D 2 104 ? 0.109 10.357 35.602 1.00 14.29 ? 104 ARG D O 1 +ATOM 4058 C CB . ARG D 2 104 ? 3.284 9.125 35.588 1.00 19.67 ? 104 ARG D CB 1 +ATOM 4059 C CG . ARG D 2 104 ? 3.835 7.869 35.695 1.00 39.66 ? 104 ARG D CG 1 +ATOM 4060 C CD . ARG D 2 104 ? 5.416 8.009 36.307 1.00 67.99 ? 104 ARG D CD 1 +ATOM 4061 N NE . ARG D 2 104 ? 5.531 6.176 36.368 1.00 67.11 ? 104 ARG D NE 1 +ATOM 4062 C CZ . ARG D 2 104 ? 8.083 6.504 36.494 1.00 80.12 ? 104 ARG D CZ 1 +ATOM 4063 N NH1 . ARG D 2 104 ? 7.919 7.975 36.556 1.00 77.56 ? 104 ARG D NH1 1 +ATOM 4064 N NH2 . ARG D 2 104 ? 7.837 5.849 37.495 1.00 80.12 ? 104 ARG D NH2 1 +ATOM 4065 N N . LEU D 2 105 ? 1.360 11.002 33.800 1.00 14.78 ? 105 LEU D N 1 +ATOM 4066 C CA . LEU D 2 105 ? 0.620 12.231 33.611 1.00 11.66 ? 105 LEU D CA 1 +ATOM 4067 C C . LEU D 2 105 ? -0.887 11.997 33.347 1.00 13.52 ? 105 LEU D C 1 +ATOM 4068 O O . LEU D 2 105 ? -1.739 12.524 33.970 1.00 12.56 ? 105 LEU D O 1 +ATOM 4069 C CB . LEU D 2 105 ? 1.239 12.973 32.633 1.00 16.32 ? 105 LEU D CB 1 +ATOM 4070 C CG . LEU D 2 105 ? 2.607 13.707 32.652 1.00 23.61 ? 105 LEU D CG 1 +ATOM 4071 C CD1 . LEU D 2 105 ? 3.261 14.404 31.634 1.00 25.65 ? 105 LEU D CD1 1 +ATOM 4072 C CD2 . LEU D 2 105 ? 2.767 14.342 34.016 1.00 30.28 ? 105 LEU D CD2 1 +ATOM 4073 N N . LEU D 2 106 ? -1.118 11.020 32.462 1.00 11.11 ? 106 LEU D N 1 +ATOM 4074 C CA . LEU D 2 106 ? -2.582 10.775 32.168 1.00 10.81 ? 106 LEU D CA 1 +ATOM 4075 C C . LEU D 2 106 ? -3.263 10.235 33.305 1.00 7.04 ? 106 LEU D C 1 +ATOM 4076 O O . LEU D 2 106 ? -4.393 10.488 33.592 1.00 8.65 ? 106 LEU D O 1 +ATOM 4077 C CB . LEU D 2 106 ? -2.608 9.691 31.030 1.00 12.84 ? 106 LEU D CB 1 +ATOM 4078 C CG . LEU D 2 106 ? -4.041 9.411 30.587 1.00 16.25 ? 106 LEU D CG 1 +ATOM 4079 C CD1 . LEU D 2 106 ? -4.842 10.589 30.057 1.00 16.77 ? 106 LEU D CD1 1 +ATOM 4080 C CD2 . LEU D 2 106 ? -3.870 8.327 29.677 1.00 20.04 ? 106 LEU D CD2 1 +ATOM 4081 N N . GLY D 2 107 ? -2.646 9.424 34.129 1.00 12.52 ? 107 GLY D N 1 +ATOM 4082 C CA . GLY D 2 107 ? -3.130 8.774 35.385 1.00 16.15 ? 107 GLY D CA 1 +ATOM 4083 C C . GLY D 2 107 ? -3.626 9.896 36.319 1.00 14.99 ? 107 GLY D C 1 +ATOM 4084 O O . GLY D 2 107 ? -4.724 9.915 36.857 1.00 12.81 ? 107 GLY D O 1 +ATOM 4085 N N . ASN D 2 108 ? -2.826 10.941 36.456 1.00 12.36 ? 108 ASN D N 1 +ATOM 4086 C CA . ASN D 2 108 ? -3.129 12.025 37.287 1.00 14.00 ? 108 ASN D CA 1 +ATOM 4087 C C . ASN D 2 108 ? -4.189 12.926 36.808 1.00 11.43 ? 108 ASN D C 1 +ATOM 4088 O O . ASN D 2 108 ? -5.183 13.371 37.559 1.00 12.39 ? 108 ASN D O 1 +ATOM 4089 C CB . ASN D 2 108 ? -1.985 12.940 37.703 1.00 18.57 ? 108 ASN D CB 1 +ATOM 4090 C CG . ASN D 2 108 ? -0.830 12.006 38.769 1.00 22.26 ? 108 ASN D CG 1 +ATOM 4091 O OD1 . ASN D 2 108 ? -1.510 11.169 39.567 1.00 22.78 ? 108 ASN D OD1 1 +ATOM 4092 N ND2 . ASN D 2 108 ? 0.079 12.830 38.784 1.00 30.03 ? 108 ASN D ND2 1 +ATOM 4093 N N . VAL D 2 109 ? -4.189 13.146 35.496 1.00 10.09 ? 109 VAL D N 1 +ATOM 4094 C CA . VAL D 2 109 ? -5.275 13.805 34.867 1.00 8.21 ? 109 VAL D CA 1 +ATOM 4095 C C . VAL D 2 109 ? -6.576 13.066 34.950 1.00 9.89 ? 109 VAL D C 1 +ATOM 4096 O O . VAL D 2 109 ? -7.565 13.726 35.341 1.00 11.76 ? 109 VAL D O 1 +ATOM 4097 C CB . VAL D 2 109 ? -4.899 14.110 33.347 1.00 11.59 ? 109 VAL D CB 1 +ATOM 4098 C CG1 . VAL D 2 109 ? -6.067 14.732 32.546 1.00 17.96 ? 109 VAL D CG1 1 +ATOM 4099 C CG2 . VAL D 2 109 ? -3.838 15.133 33.305 1.00 17.98 ? 109 VAL D CG2 1 +ATOM 4100 N N . LEU D 2 110 ? -6.519 11.717 34.753 1.00 9.62 ? 110 LEU D N 1 +ATOM 4101 C CA . LEU D 2 110 ? -7.723 10.930 34.936 1.00 14.08 ? 110 LEU D CA 1 +ATOM 4102 C C . LEU D 2 110 ? -8.429 11.182 36.200 1.00 11.97 ? 110 LEU D C 1 +ATOM 4103 O O . LEU D 2 110 ? -9.601 11.176 36.600 1.00 10.97 ? 110 LEU D O 1 +ATOM 4104 C CB . LEU D 2 110 ? -7.525 9.600 34.628 1.00 15.34 ? 110 LEU D CB 1 +ATOM 4105 C CG . LEU D 2 110 ? -8.566 8.610 34.791 1.00 14.97 ? 110 LEU D CG 1 +ATOM 4106 C CD1 . LEU D 2 110 ? -9.772 8.905 34.016 1.00 23.21 ? 110 LEU D CD1 1 +ATOM 4107 C CD2 . LEU D 2 110 ? -8.195 7.133 34.513 1.00 26.92 ? 110 LEU D CD2 1 +ATOM 4108 N N . VAL D 2 111 ? -7.453 11.161 37.373 1.00 14.50 ? 111 VAL D N 1 +ATOM 4109 C CA . VAL D 2 111 ? -7.968 11.386 38.826 1.00 11.82 ? 111 VAL D CA 1 +ATOM 4110 C C . VAL D 2 111 ? -8.704 12.696 38.914 1.00 14.01 ? 111 VAL D C 1 +ATOM 4111 O O . VAL D 2 111 ? -9.727 12.813 39.573 1.00 12.03 ? 111 VAL D O 1 +ATOM 4112 C CB . VAL D 2 111 ? -6.846 11.131 39.833 1.00 12.62 ? 111 VAL D CB 1 +ATOM 4113 C CG1 . VAL D 2 111 ? -7.336 11.624 41.181 1.00 15.85 ? 111 VAL D CG1 1 +ATOM 4114 C CG2 . VAL D 2 111 ? -6.459 9.608 39.848 1.00 10.77 ? 111 VAL D CG2 1 +ATOM 4115 N N . CYS D 2 112 ? -8.018 13.784 38.237 1.00 13.62 ? 112 CYS D N 1 +ATOM 4116 C CA . CYS D 2 112 ? -8.548 15.049 38.171 1.00 13.72 ? 112 CYS D CA 1 +ATOM 4117 C C . CYS D 2 112 ? -10.151 15.142 37.752 1.00 20.10 ? 112 CYS D C 1 +ATOM 4118 O O . CYS D 2 112 ? -11.002 15.713 38.180 1.00 16.56 ? 112 CYS D O 1 +ATOM 4119 C CB . CYS D 2 112 ? -7.812 16.104 37.464 1.00 12.95 ? 112 CYS D CB 1 +ATOM 4120 S SG . CYS D 2 112 ? -6.469 16.588 38.540 1.00 15.21 ? 112 CYS D SG 1 +ATOM 4121 N N . VAL D 2 113 ? -10.189 14.319 36.647 1.00 17.02 ? 113 VAL D N 1 +ATOM 4122 C CA . VAL D 2 113 ? -11.413 14.208 35.765 1.00 12.28 ? 113 VAL D CA 1 +ATOM 4123 C C . VAL D 2 113 ? -12.489 13.489 36.497 1.00 12.56 ? 113 VAL D C 1 +ATOM 4124 O O . VAL D 2 113 ? -13.603 13.930 36.649 1.00 15.84 ? 113 VAL D O 1 +ATOM 4125 C CB . VAL D 2 113 ? -11.188 13.503 34.421 1.00 17.85 ? 113 VAL D CB 1 +ATOM 4126 C CG1 . VAL D 2 113 ? -12.477 13.210 33.789 1.00 18.74 ? 113 VAL D CG1 1 +ATOM 4127 C CG2 . VAL D 2 113 ? -10.361 14.622 33.373 1.00 21.41 ? 113 VAL D CG2 1 +ATOM 4128 N N . LEU D 2 114 ? -12.194 12.429 37.236 1.00 10.75 ? 114 LEU D N 1 +ATOM 4129 C CA . LEU D 2 114 ? -13.092 11.662 38.114 1.00 10.78 ? 114 LEU D CA 1 +ATOM 4130 C C . LEU D 2 114 ? -13.614 12.616 39.150 1.00 19.00 ? 114 LEU D C 1 +ATOM 4131 O O . LEU D 2 114 ? -14.717 12.695 39.481 1.00 11.46 ? 114 LEU D O 1 +ATOM 4132 C CB . LEU D 2 114 ? -12.451 10.458 38.582 1.00 14.56 ? 114 LEU D CB 1 +ATOM 4133 C CG . LEU D 2 114 ? -12.033 9.460 37.500 1.00 17.11 ? 114 LEU D CG 1 +ATOM 4134 C CD1 . LEU D 2 114 ? -11.371 8.208 38.149 1.00 17.06 ? 114 LEU D CD1 1 +ATOM 4135 C CD2 . LEU D 2 114 ? -13.472 8.879 36.865 1.00 20.86 ? 114 LEU D CD2 1 +ATOM 4136 N N . ALA D 2 115 ? -12.696 13.271 39.814 1.00 11.71 ? 115 ALA D N 1 +ATOM 4137 C CA . ALA D 2 115 ? -13.081 14.289 40.929 1.00 11.69 ? 115 ALA D CA 1 +ATOM 4138 C C . ALA D 2 115 ? -14.070 15.337 40.366 1.00 15.12 ? 115 ALA D C 1 +ATOM 4139 O O . ALA D 2 115 ? -14.897 15.647 41.054 1.00 15.47 ? 115 ALA D O 1 +ATOM 4140 C CB . ALA D 2 115 ? -11.758 14.944 41.582 1.00 12.28 ? 115 ALA D CB 1 +ATOM 4141 N N . HIS D 2 116 ? -13.739 15.965 39.225 1.00 15.03 ? 116 HIS D N 1 +ATOM 4142 C CA . HIS D 2 116 ? -14.586 16.976 38.585 1.00 12.09 ? 116 HIS D CA 1 +ATOM 4143 C C . HIS D 2 116 ? -15.923 16.396 38.270 1.00 12.50 ? 116 HIS D C 1 +ATOM 4144 O O . HIS D 2 116 ? -17.017 17.107 38.496 1.00 15.93 ? 116 HIS D O 1 +ATOM 4145 C CB . HIS D 2 116 ? -13.888 17.392 37.294 1.00 20.66 ? 116 HIS D CB 1 +ATOM 4146 C CG . HIS D 2 116 ? -14.663 18.571 36.668 1.00 27.72 ? 116 HIS D CG 1 +ATOM 4147 N ND1 . HIS D 2 116 ? -14.880 18.449 35.445 1.00 29.99 ? 116 HIS D ND1 1 +ATOM 4148 C CD2 . HIS D 2 116 ? -14.916 19.655 37.289 1.00 30.96 ? 116 HIS D CD2 1 +ATOM 4149 C CE1 . HIS D 2 116 ? -15.407 19.733 35.024 1.00 27.26 ? 116 HIS D CE1 1 +ATOM 4150 N NE2 . HIS D 2 116 ? -15.561 20.472 36.323 1.00 28.89 ? 116 HIS D NE2 1 +ATOM 4151 N N . HIS D 2 117 ? -15.997 15.219 37.723 1.00 13.33 ? 117 HIS D N 1 +ATOM 4152 C CA . HIS D 2 117 ? -17.200 14.578 37.260 1.00 15.24 ? 117 HIS D CA 1 +ATOM 4153 C C . HIS D 2 117 ? -17.989 14.233 38.521 1.00 17.50 ? 117 HIS D C 1 +ATOM 4154 O O . HIS D 2 117 ? -19.260 14.288 38.545 1.00 16.06 ? 117 HIS D O 1 +ATOM 4155 C CB . HIS D 2 117 ? -16.852 13.421 36.315 1.00 17.22 ? 117 HIS D CB 1 +ATOM 4156 C CG . HIS D 2 117 ? -17.868 12.886 35.837 1.00 54.91 ? 117 HIS D CG 1 +ATOM 4157 N ND1 . HIS D 2 117 ? -18.691 13.689 34.534 1.00 47.40 ? 117 HIS D ND1 1 +ATOM 4158 C CD2 . HIS D 2 117 ? -19.150 11.964 36.098 1.00 49.34 ? 117 HIS D CD2 1 +ATOM 4159 C CE1 . HIS D 2 117 ? -19.892 12.565 34.499 1.00 48.36 ? 117 HIS D CE1 1 +ATOM 4160 N NE2 . HIS D 2 117 ? -19.944 11.859 35.162 1.00 37.10 ? 117 HIS D NE2 1 +ATOM 4161 N N . PHE D 2 118 ? -17.535 13.490 39.513 1.00 14.50 ? 118 PHE D N 1 +ATOM 4162 C CA . PHE D 2 118 ? -18.249 12.863 40.700 1.00 19.30 ? 118 PHE D CA 1 +ATOM 4163 C C . PHE D 2 118 ? -18.321 13.790 41.826 1.00 20.52 ? 118 PHE D C 1 +ATOM 4164 O O . PHE D 2 118 ? -19.086 13.416 42.859 1.00 18.09 ? 118 PHE D O 1 +ATOM 4165 C CB . PHE D 2 118 ? -17.602 11.595 41.070 1.00 18.97 ? 118 PHE D CB 1 +ATOM 4166 C CG . PHE D 2 118 ? -17.846 10.574 39.867 1.00 18.93 ? 118 PHE D CG 1 +ATOM 4167 C CD1 . PHE D 2 118 ? -17.063 9.973 38.951 1.00 24.34 ? 118 PHE D CD1 1 +ATOM 4168 C CD2 . PHE D 2 118 ? -19.233 10.072 39.842 1.00 26.48 ? 118 PHE D CD2 1 +ATOM 4169 C CE1 . PHE D 2 118 ? -17.124 9.126 37.900 1.00 20.81 ? 118 PHE D CE1 1 +ATOM 4170 C CE2 . PHE D 2 118 ? -19.471 9.111 38.661 1.00 22.90 ? 118 PHE D CE2 1 +ATOM 4171 C CZ . PHE D 2 118 ? -18.579 8.945 37.668 1.00 38.52 ? 118 PHE D CZ 1 +ATOM 4172 N N . GLY D 2 119 ? -17.573 14.836 42.034 1.00 12.95 ? 119 GLY D N 1 +ATOM 4173 C CA . GLY D 2 119 ? -17.804 15.799 43.120 1.00 17.60 ? 119 GLY D CA 1 +ATOM 4174 C C . GLY D 2 119 ? -17.298 14.988 44.440 1.00 22.58 ? 119 GLY D C 1 +ATOM 4175 O O . GLY D 2 119 ? -16.509 14.155 44.660 1.00 17.60 ? 119 GLY D O 1 +ATOM 4176 N N . LYS D 2 120 ? -18.313 15.227 45.454 1.00 21.46 ? 120 LYS D N 1 +ATOM 4177 C CA . LYS D 2 120 ? -17.955 14.862 46.795 1.00 20.05 ? 120 LYS D CA 1 +ATOM 4178 C C . LYS D 2 120 ? -18.239 13.485 46.948 1.00 21.98 ? 120 LYS D C 1 +ATOM 4179 O O . LYS D 2 120 ? -17.543 12.816 47.838 1.00 18.57 ? 120 LYS D O 1 +ATOM 4180 C CB . LYS D 2 120 ? -19.059 15.697 47.683 1.00 27.28 ? 120 LYS D CB 1 +ATOM 4181 C CG . LYS D 2 120 ? -20.052 14.809 47.922 1.00 44.07 ? 120 LYS D CG 1 +ATOM 4182 C CD . LYS D 2 120 ? -21.401 14.795 48.896 1.00 48.21 ? 120 LYS D CD 1 +ATOM 4183 C CE . LYS D 2 120 ? -22.663 14.415 48.016 1.00 53.23 ? 120 LYS D CE 1 +ATOM 4184 N NZ . LYS D 2 120 ? -24.242 13.752 49.540 1.00 62.54 ? 120 LYS D NZ 1 +ATOM 4185 N N . GLU D 2 121 ? -18.469 12.595 45.994 1.00 25.88 ? 121 GLU D N 1 +ATOM 4186 C CA . GLU D 2 121 ? -18.440 11.310 46.022 1.00 20.02 ? 121 GLU D CA 1 +ATOM 4187 C C . GLU D 2 121 ? -16.952 10.570 45.792 1.00 18.96 ? 121 GLU D C 1 +ATOM 4188 O O . GLU D 2 121 ? -16.771 9.407 46.201 1.00 16.05 ? 121 GLU D O 1 +ATOM 4189 C CB . GLU D 2 121 ? -19.411 10.519 44.740 1.00 28.13 ? 121 GLU D CB 1 +ATOM 4190 C CG . GLU D 2 121 ? -19.539 9.448 44.871 1.00 40.20 ? 121 GLU D CG 1 +ATOM 4191 C CD . GLU D 2 121 ? -21.101 8.591 43.945 1.00 49.97 ? 121 GLU D CD 1 +ATOM 4192 O OE1 . GLU D 2 121 ? -20.320 7.357 43.531 1.00 36.73 ? 121 GLU D OE1 1 +ATOM 4193 O OE2 . GLU D 2 121 ? -21.018 9.392 42.959 1.00 38.86 ? 121 GLU D OE2 1 +ATOM 4194 N N . PHE D 2 122 ? -16.232 11.457 45.188 1.00 14.83 ? 122 PHE D N 1 +ATOM 4195 C CA . PHE D 2 122 ? -14.806 10.935 44.992 1.00 20.37 ? 122 PHE D CA 1 +ATOM 4196 C C . PHE D 2 122 ? -14.041 11.364 46.308 1.00 15.94 ? 122 PHE D C 1 +ATOM 4197 O O . PHE D 2 122 ? -13.223 12.305 46.342 1.00 17.73 ? 122 PHE D O 1 +ATOM 4198 C CB . PHE D 2 122 ? -14.415 11.754 43.886 1.00 14.63 ? 122 PHE D CB 1 +ATOM 4199 C CG . PHE D 2 122 ? -13.146 11.096 43.213 1.00 12.39 ? 122 PHE D CG 1 +ATOM 4200 C CD1 . PHE D 2 122 ? -13.064 9.930 42.732 1.00 14.73 ? 122 PHE D CD1 1 +ATOM 4201 C CD2 . PHE D 2 122 ? -11.761 11.672 43.293 1.00 15.96 ? 122 PHE D CD2 1 +ATOM 4202 C CE1 . PHE D 2 122 ? -11.850 9.231 42.128 1.00 19.03 ? 122 PHE D CE1 1 +ATOM 4203 C CE2 . PHE D 2 122 ? -10.524 11.140 42.913 1.00 16.31 ? 122 PHE D CE2 1 +ATOM 4204 C CZ . PHE D 2 122 ? -10.767 9.973 42.353 1.00 19.86 ? 122 PHE D CZ 1 +ATOM 4205 N N . THR D 2 123 ? -14.305 10.596 47.277 1.00 12.54 ? 123 THR D N 1 +ATOM 4206 C CA . THR D 2 123 ? -13.654 11.017 48.600 1.00 13.34 ? 123 THR D CA 1 +ATOM 4207 C C . THR D 2 123 ? -12.261 10.645 48.579 1.00 15.73 ? 123 THR D C 1 +ATOM 4208 O O . THR D 2 123 ? -11.731 9.962 47.799 1.00 13.84 ? 123 THR D O 1 +ATOM 4209 C CB . THR D 2 123 ? -14.250 10.114 49.692 1.00 17.72 ? 123 THR D CB 1 +ATOM 4210 O OG1 . THR D 2 123 ? -14.213 8.755 49.434 1.00 19.04 ? 123 THR D OG1 1 +ATOM 4211 C CG2 . THR D 2 123 ? -16.032 10.338 49.677 1.00 20.06 ? 123 THR D CG2 1 +ATOM 4212 N N . PRO D 2 124 ? -11.613 11.145 49.655 1.00 17.46 ? 124 PRO D N 1 +ATOM 4213 C CA . PRO D 2 124 ? -10.165 10.787 49.885 1.00 14.41 ? 124 PRO D CA 1 +ATOM 4214 C C . PRO D 2 124 ? -9.843 9.388 49.797 1.00 12.05 ? 124 PRO D C 1 +ATOM 4215 O O . PRO D 2 124 ? -8.887 9.027 49.109 1.00 13.28 ? 124 PRO D O 1 +ATOM 4216 C CB . PRO D 2 124 ? -9.806 11.553 51.109 1.00 14.54 ? 124 PRO D CB 1 +ATOM 4217 C CG . PRO D 2 124 ? -10.762 12.742 51.179 1.00 15.93 ? 124 PRO D CG 1 +ATOM 4218 C CD . PRO D 2 124 ? -12.048 12.068 50.719 1.00 14.57 ? 124 PRO D CD 1 +ATOM 4219 N N . PRO D 2 125 ? -10.524 8.419 50.394 1.00 11.40 ? 125 PRO D N 1 +ATOM 4220 C CA . PRO D 2 125 ? -10.284 7.124 50.249 1.00 17.87 ? 125 PRO D CA 1 +ATOM 4221 C C . PRO D 2 125 ? -10.363 6.364 48.936 1.00 15.21 ? 125 PRO D C 1 +ATOM 4222 O O . PRO D 2 125 ? -9.598 5.567 48.439 1.00 14.41 ? 125 PRO D O 1 +ATOM 4223 C CB . PRO D 2 125 ? -11.188 6.474 51.245 1.00 23.30 ? 125 PRO D CB 1 +ATOM 4224 C CG . PRO D 2 125 ? -11.492 7.400 52.139 1.00 26.37 ? 125 PRO D CG 1 +ATOM 4225 C CD . PRO D 2 125 ? -11.593 8.612 51.663 1.00 17.49 ? 125 PRO D CD 1 +ATOM 4226 N N . VAL D 2 126 ? -11.461 7.000 48.227 1.00 17.66 ? 126 VAL D N 1 +ATOM 4227 C CA . VAL D 2 126 ? -11.619 6.487 46.820 1.00 21.55 ? 126 VAL D CA 1 +ATOM 4228 C C . VAL D 2 126 ? -10.338 6.896 45.817 1.00 16.49 ? 126 VAL D C 1 +ATOM 4229 O O . VAL D 2 126 ? -9.966 6.194 45.062 1.00 13.46 ? 126 VAL D O 1 +ATOM 4230 C CB . VAL D 2 126 ? -13.193 7.159 46.221 1.00 13.98 ? 126 VAL D CB 1 +ATOM 4231 C CG1 . VAL D 2 126 ? -13.233 6.625 44.941 1.00 20.70 ? 126 VAL D CG1 1 +ATOM 4232 C CG2 . VAL D 2 126 ? -14.046 6.344 47.186 1.00 18.54 ? 126 VAL D CG2 1 +ATOM 4233 N N . GLN D 2 127 ? -10.081 8.341 46.123 1.00 10.60 ? 127 GLN D N 1 +ATOM 4234 C CA . GLN D 2 127 ? -8.869 8.759 45.495 1.00 12.83 ? 127 GLN D CA 1 +ATOM 4235 C C . GLN D 2 127 ? -7.752 7.883 45.581 1.00 13.74 ? 127 GLN D C 1 +ATOM 4236 O O . GLN D 2 127 ? -7.011 7.557 44.630 1.00 12.71 ? 127 GLN D O 1 +ATOM 4237 C CB . GLN D 2 127 ? -8.709 10.240 45.723 1.00 11.73 ? 127 GLN D CB 1 +ATOM 4238 C CG . GLN D 2 127 ? -7.328 10.704 45.021 1.00 13.68 ? 127 GLN D CG 1 +ATOM 4239 C CD . GLN D 2 127 ? -6.870 12.007 45.620 1.00 11.81 ? 127 GLN D CD 1 +ATOM 4240 O OE1 . GLN D 2 127 ? -7.612 12.791 46.226 1.00 13.99 ? 127 GLN D OE1 1 +ATOM 4241 N NE2 . GLN D 2 127 ? -5.794 12.384 44.981 1.00 15.96 ? 127 GLN D NE2 1 +ATOM 4242 N N . ALA D 2 128 ? -7.425 7.510 46.886 1.00 12.61 ? 128 ALA D N 1 +ATOM 4243 C CA . ALA D 2 128 ? -6.284 6.708 47.255 1.00 9.64 ? 128 ALA D CA 1 +ATOM 4244 C C . ALA D 2 128 ? -6.200 5.390 46.495 1.00 7.66 ? 128 ALA D C 1 +ATOM 4245 O O . ALA D 2 128 ? -5.196 5.017 45.975 1.00 11.68 ? 128 ALA D O 1 +ATOM 4246 C CB . ALA D 2 128 ? -6.224 6.481 48.747 1.00 13.80 ? 128 ALA D CB 1 +ATOM 4247 N N . ALA D 2 129 ? -7.447 4.929 46.356 1.00 13.18 ? 129 ALA D N 1 +ATOM 4248 C CA . ALA D 2 129 ? -7.605 3.606 45.705 1.00 11.17 ? 129 ALA D CA 1 +ATOM 4249 C C . ALA D 2 129 ? -7.232 3.804 44.181 1.00 11.52 ? 129 ALA D C 1 +ATOM 4250 O O . ALA D 2 129 ? -6.564 2.935 43.582 1.00 13.56 ? 129 ALA D O 1 +ATOM 4251 C CB . ALA D 2 129 ? -8.947 3.013 45.910 1.00 14.35 ? 129 ALA D CB 1 +ATOM 4252 N N . TYR D 2 130 ? -7.859 4.740 43.565 1.00 13.36 ? 130 TYR D N 1 +ATOM 4253 C CA . TYR D 2 130 ? -7.692 5.106 42.162 1.00 13.72 ? 130 TYR D CA 1 +ATOM 4254 C C . TYR D 2 130 ? -6.196 5.516 41.935 1.00 15.10 ? 130 TYR D C 1 +ATOM 4255 O O . TYR D 2 130 ? -5.614 5.098 40.917 1.00 13.21 ? 130 TYR D O 1 +ATOM 4256 C CB . TYR D 2 130 ? -8.499 6.213 41.726 1.00 13.30 ? 130 TYR D CB 1 +ATOM 4257 C CG . TYR D 2 130 ? -9.754 5.633 41.233 1.00 15.19 ? 130 TYR D CG 1 +ATOM 4258 C CD1 . TYR D 2 130 ? -9.822 5.138 39.964 1.00 16.58 ? 130 TYR D CD1 1 +ATOM 4259 C CD2 . TYR D 2 130 ? -10.894 5.379 41.926 1.00 11.73 ? 130 TYR D CD2 1 +ATOM 4260 C CE1 . TYR D 2 130 ? -10.898 4.373 39.135 1.00 20.28 ? 130 TYR D CE1 1 +ATOM 4261 C CE2 . TYR D 2 130 ? -12.082 4.726 41.285 1.00 14.90 ? 130 TYR D CE2 1 +ATOM 4262 C CZ . TYR D 2 130 ? -12.123 4.206 40.120 1.00 22.05 ? 130 TYR D CZ 1 +ATOM 4263 O OH . TYR D 2 130 ? -13.192 3.666 39.581 1.00 20.92 ? 130 TYR D OH 1 +ATOM 4264 N N . GLN D 2 131 ? -5.574 6.073 42.896 1.00 12.24 ? 131 GLN D N 1 +ATOM 4265 C CA . GLN D 2 131 ? -4.108 6.359 42.744 1.00 13.72 ? 131 GLN D CA 1 +ATOM 4266 C C . GLN D 2 131 ? -3.236 5.250 42.562 1.00 20.69 ? 131 GLN D C 1 +ATOM 4267 O O . GLN D 2 131 ? -2.419 5.044 41.854 1.00 17.83 ? 131 GLN D O 1 +ATOM 4268 C CB . GLN D 2 131 ? -3.534 7.388 43.772 1.00 13.45 ? 131 GLN D CB 1 +ATOM 4269 C CG . GLN D 2 131 ? -4.127 8.633 43.826 1.00 20.19 ? 131 GLN D CG 1 +ATOM 4270 C CD . GLN D 2 131 ? -3.529 9.873 42.716 1.00 18.43 ? 131 GLN D CD 1 +ATOM 4271 O OE1 . GLN D 2 131 ? -4.263 10.790 42.812 1.00 14.48 ? 131 GLN D OE1 1 +ATOM 4272 N NE2 . GLN D 2 131 ? -2.698 9.458 41.955 1.00 16.06 ? 131 GLN D NE2 1 +ATOM 4273 N N . LYS D 2 132 ? -3.633 4.146 43.364 1.00 12.67 ? 132 LYS D N 1 +ATOM 4274 C CA . LYS D 2 132 ? -2.807 2.887 43.390 1.00 15.63 ? 132 LYS D CA 1 +ATOM 4275 C C . LYS D 2 132 ? -3.029 2.188 42.022 1.00 18.80 ? 132 LYS D C 1 +ATOM 4276 O O . LYS D 2 132 ? -2.199 1.739 41.376 1.00 14.05 ? 132 LYS D O 1 +ATOM 4277 C CB . LYS D 2 132 ? -3.309 1.949 44.403 1.00 24.81 ? 132 LYS D CB 1 +ATOM 4278 C CG . LYS D 2 132 ? -2.740 2.319 45.801 1.00 25.97 ? 132 LYS D CG 1 +ATOM 4279 C CD . LYS D 2 132 ? -3.450 1.283 46.867 1.00 26.81 ? 132 LYS D CD 1 +ATOM 4280 C CE . LYS D 2 132 ? -3.647 2.409 48.135 1.00 50.23 ? 132 LYS D CE 1 +ATOM 4281 N NZ . LYS D 2 132 ? -3.659 0.122 49.107 1.00 63.38 ? 132 LYS D NZ 1 +ATOM 4282 N N . VAL D 2 133 ? -4.291 2.348 41.481 1.00 13.42 ? 133 VAL D N 1 +ATOM 4283 C CA . VAL D 2 133 ? -4.649 1.665 40.219 1.00 18.27 ? 133 VAL D CA 1 +ATOM 4284 C C . VAL D 2 133 ? -3.876 2.408 39.113 1.00 19.39 ? 133 VAL D C 1 +ATOM 4285 O O . VAL D 2 133 ? -3.292 1.705 38.236 1.00 15.06 ? 133 VAL D O 1 +ATOM 4286 C CB . VAL D 2 133 ? -6.222 1.610 39.979 1.00 17.40 ? 133 VAL D CB 1 +ATOM 4287 C CG1 . VAL D 2 133 ? -6.471 1.441 38.484 1.00 22.79 ? 133 VAL D CG1 1 +ATOM 4288 C CG2 . VAL D 2 133 ? -6.843 0.824 41.082 1.00 19.90 ? 133 VAL D CG2 1 +ATOM 4289 N N . VAL D 2 134 ? -3.994 3.629 39.031 1.00 14.66 ? 134 VAL D N 1 +ATOM 4290 C CA . VAL D 2 134 ? -3.343 4.293 37.859 1.00 17.41 ? 134 VAL D CA 1 +ATOM 4291 C C . VAL D 2 134 ? -1.721 4.226 37.826 1.00 17.93 ? 134 VAL D C 1 +ATOM 4292 O O . VAL D 2 134 ? -1.164 3.952 36.793 1.00 17.13 ? 134 VAL D O 1 +ATOM 4293 C CB . VAL D 2 134 ? -3.835 5.761 37.643 1.00 16.69 ? 134 VAL D CB 1 +ATOM 4294 C CG1 . VAL D 2 134 ? -5.248 5.959 37.556 1.00 22.42 ? 134 VAL D CG1 1 +ATOM 4295 C CG2 . VAL D 2 134 ? -3.246 6.570 38.773 1.00 16.30 ? 134 VAL D CG2 1 +ATOM 4296 N N . ALA D 2 135 ? -1.210 4.136 39.001 1.00 16.25 ? 135 ALA D N 1 +ATOM 4297 C CA . ALA D 2 135 ? 0.222 4.021 39.248 1.00 14.79 ? 135 ALA D CA 1 +ATOM 4298 C C . ALA D 2 135 ? 0.535 2.430 38.651 1.00 21.70 ? 135 ALA D C 1 +ATOM 4299 O O . ALA D 2 135 ? 1.545 2.138 38.048 1.00 16.89 ? 135 ALA D O 1 +ATOM 4300 C CB . ALA D 2 135 ? 0.696 4.015 40.592 1.00 18.34 ? 135 ALA D CB 1 +ATOM 4301 N N . GLY D 2 136 ? -0.303 1.437 38.989 1.00 17.40 ? 136 GLY D N 1 +ATOM 4302 C CA . GLY D 2 136 ? -0.330 0.170 38.691 1.00 16.77 ? 136 GLY D CA 1 +ATOM 4303 C C . GLY D 2 136 ? -0.250 0.004 37.137 1.00 21.35 ? 136 GLY D C 1 +ATOM 4304 O O . GLY D 2 136 ? 0.550 -0.717 36.435 1.00 16.80 ? 136 GLY D O 1 +ATOM 4305 N N . VAL D 2 137 ? -1.202 0.687 36.586 1.00 23.70 ? 137 VAL D N 1 +ATOM 4306 C CA . VAL D 2 137 ? -1.343 0.660 35.180 1.00 26.49 ? 137 VAL D CA 1 +ATOM 4307 C C . VAL D 2 137 ? -0.439 1.268 34.267 1.00 33.07 ? 137 VAL D C 1 +ATOM 4308 O O . VAL D 2 137 ? 0.284 0.740 33.543 1.00 30.90 ? 137 VAL D O 1 +ATOM 4309 C CB . VAL D 2 137 ? -2.815 1.314 34.539 1.00 15.94 ? 137 VAL D CB 1 +ATOM 4310 C CG1 . VAL D 2 137 ? -2.835 1.555 32.993 1.00 21.57 ? 137 VAL D CG1 1 +ATOM 4311 C CG2 . VAL D 2 137 ? -3.828 0.490 35.194 1.00 21.46 ? 137 VAL D CG2 1 +ATOM 4312 N N . ALA D 2 138 ? 0.242 2.363 34.809 1.00 14.66 ? 138 ALA D N 1 +ATOM 4313 C CA . ALA D 2 138 ? 1.452 3.050 34.226 1.00 18.95 ? 138 ALA D CA 1 +ATOM 4314 C C . ALA D 2 138 ? 2.592 2.120 34.226 1.00 18.17 ? 138 ALA D C 1 +ATOM 4315 O O . ALA D 2 138 ? 3.362 2.006 33.396 1.00 14.81 ? 138 ALA D O 1 +ATOM 4316 C CB . ALA D 2 138 ? 1.860 4.377 34.985 1.00 19.78 ? 138 ALA D CB 1 +ATOM 4317 N N . ASN D 2 139 ? 2.786 1.456 35.416 1.00 15.30 ? 139 ASN D N 1 +ATOM 4318 C CA . ASN D 2 139 ? 3.956 0.732 35.737 1.00 18.41 ? 139 ASN D CA 1 +ATOM 4319 C C . ASN D 2 139 ? 3.938 -0.487 34.720 1.00 25.63 ? 139 ASN D C 1 +ATOM 4320 O O . ASN D 2 139 ? 4.881 -1.132 34.071 1.00 23.38 ? 139 ASN D O 1 +ATOM 4321 C CB . ASN D 2 139 ? 3.870 0.156 36.790 1.00 50.89 ? 139 ASN D CB 1 +ATOM 4322 C CG . ASN D 2 139 ? 4.770 0.374 37.804 1.00 63.06 ? 139 ASN D CG 1 +ATOM 4323 O OD1 . ASN D 2 139 ? 5.595 -1.037 37.424 1.00 52.41 ? 139 ASN D OD1 1 +ATOM 4324 N ND2 . ASN D 2 139 ? 5.131 1.893 37.675 1.00 29.84 ? 139 ASN D ND2 1 +ATOM 4325 N N . ALA D 2 140 ? 2.648 -1.086 34.607 1.00 19.40 ? 140 ALA D N 1 +ATOM 4326 C CA . ALA D 2 140 ? 2.270 -2.273 33.687 1.00 23.09 ? 140 ALA D CA 1 +ATOM 4327 C C . ALA D 2 140 ? 2.538 -1.750 32.200 1.00 18.16 ? 140 ALA D C 1 +ATOM 4328 O O . ALA D 2 140 ? 3.180 -2.633 31.538 1.00 16.51 ? 140 ALA D O 1 +ATOM 4329 C CB . ALA D 2 140 ? 0.893 -2.659 33.730 1.00 18.14 ? 140 ALA D CB 1 +ATOM 4330 N N . LEU D 2 141 ? 2.248 -0.677 31.759 1.00 14.97 ? 141 LEU D N 1 +ATOM 4331 C CA . LEU D 2 141 ? 2.521 -0.240 30.461 1.00 14.94 ? 141 LEU D CA 1 +ATOM 4332 C C . LEU D 2 141 ? 4.024 -0.030 30.150 1.00 11.73 ? 141 LEU D C 1 +ATOM 4333 O O . LEU D 2 141 ? 4.585 0.103 29.049 1.00 15.21 ? 141 LEU D O 1 +ATOM 4334 C CB . LEU D 2 141 ? 1.582 1.022 30.122 1.00 15.16 ? 141 LEU D CB 1 +ATOM 4335 C CG . LEU D 2 141 ? 0.181 0.748 29.794 1.00 17.87 ? 141 LEU D CG 1 +ATOM 4336 C CD1 . LEU D 2 141 ? -0.164 2.040 29.189 1.00 24.86 ? 141 LEU D CD1 1 +ATOM 4337 C CD2 . LEU D 2 141 ? 0.442 0.005 28.202 1.00 16.07 ? 141 LEU D CD2 1 +ATOM 4338 N N . ALA D 2 142 ? 4.782 0.465 31.224 1.00 14.26 ? 142 ALA D N 1 +ATOM 4339 C CA . ALA D 2 142 ? 6.206 0.616 31.094 1.00 17.21 ? 142 ALA D CA 1 +ATOM 4340 C C . ALA D 2 142 ? 7.092 -0.595 31.194 1.00 18.46 ? 142 ALA D C 1 +ATOM 4341 O O . ALA D 2 142 ? 8.246 -0.429 30.861 1.00 18.92 ? 142 ALA D O 1 +ATOM 4342 C CB . ALA D 2 142 ? 6.590 1.614 32.154 1.00 19.11 ? 142 ALA D CB 1 +ATOM 4343 N N . HIS D 2 143 ? 6.554 -1.735 31.550 1.00 19.75 ? 143 HIS D N 1 +ATOM 4344 C CA . HIS D 2 143 ? 7.205 -3.008 31.859 1.00 26.63 ? 143 HIS D CA 1 +ATOM 4345 C C . HIS D 2 143 ? 8.170 -3.508 30.674 1.00 23.72 ? 143 HIS D C 1 +ATOM 4346 O O . HIS D 2 143 ? 9.184 -3.992 31.179 1.00 24.41 ? 143 HIS D O 1 +ATOM 4347 C CB . HIS D 2 143 ? 6.333 -3.963 32.578 1.00 25.89 ? 143 HIS D CB 1 +ATOM 4348 C CG . HIS D 2 143 ? 6.943 -5.113 32.890 1.00 56.45 ? 143 HIS D CG 1 +ATOM 4349 N ND1 . HIS D 2 143 ? 6.761 -6.218 32.381 1.00 44.25 ? 143 HIS D ND1 1 +ATOM 4350 C CD2 . HIS D 2 143 ? 8.001 -4.991 34.400 1.00 48.81 ? 143 HIS D CD2 1 +ATOM 4351 C CE1 . HIS D 2 143 ? 7.886 -6.933 33.301 1.00 56.93 ? 143 HIS D CE1 1 +ATOM 4352 N NE2 . HIS D 2 143 ? 8.173 -6.288 34.468 1.00 49.27 ? 143 HIS D NE2 1 +ATOM 4353 N N . LYS D 2 144 ? 7.711 -3.417 29.538 1.00 19.26 ? 144 LYS D N 1 +ATOM 4354 C CA . LYS D 2 144 ? 8.236 -3.890 28.184 1.00 33.94 ? 144 LYS D CA 1 +ATOM 4355 C C . LYS D 2 144 ? 9.323 -3.145 27.737 1.00 32.28 ? 144 LYS D C 1 +ATOM 4356 O O . LYS D 2 144 ? 9.807 -3.336 26.537 1.00 23.60 ? 144 LYS D O 1 +ATOM 4357 C CB . LYS D 2 144 ? 7.652 -4.830 27.501 1.00 31.20 ? 144 LYS D CB 1 +ATOM 4358 C CG . LYS D 2 144 ? 6.664 -5.972 28.248 1.00 40.85 ? 144 LYS D CG 1 +ATOM 4359 C CD . LYS D 2 144 ? 7.257 -7.191 28.181 1.00 59.03 ? 144 LYS D CD 1 +ATOM 4360 C CE . LYS D 2 144 ? 6.994 -8.215 28.490 1.00 56.19 ? 144 LYS D CE 1 +ATOM 4361 N NZ . LYS D 2 144 ? 7.258 -10.167 27.594 1.00 70.96 ? 144 LYS D NZ 1 +ATOM 4362 N N . TYR D 2 145 ? 9.560 -1.914 28.156 1.00 24.92 ? 145 TYR D N 1 +ATOM 4363 C CA . TYR D 2 145 ? 10.462 -1.026 27.720 1.00 29.13 ? 145 TYR D CA 1 +ATOM 4364 C C . TYR D 2 145 ? 11.937 -1.404 27.790 1.00 38.17 ? 145 TYR D C 1 +ATOM 4365 O O . TYR D 2 145 ? 12.253 -1.961 28.782 1.00 27.99 ? 145 TYR D O 1 +ATOM 4366 C CB . TYR D 2 145 ? 10.259 0.435 28.272 1.00 17.99 ? 145 TYR D CB 1 +ATOM 4367 C CG . TYR D 2 145 ? 9.220 1.295 27.599 1.00 17.42 ? 145 TYR D CG 1 +ATOM 4368 C CD1 . TYR D 2 145 ? 9.255 2.396 26.840 1.00 16.93 ? 145 TYR D CD1 1 +ATOM 4369 C CD2 . TYR D 2 145 ? 7.885 0.764 27.865 1.00 18.60 ? 145 TYR D CD2 1 +ATOM 4370 C CE1 . TYR D 2 145 ? 8.295 3.092 26.280 1.00 17.99 ? 145 TYR D CE1 1 +ATOM 4371 C CE2 . TYR D 2 145 ? 6.769 1.552 27.208 1.00 14.96 ? 145 TYR D CE2 1 +ATOM 4372 C CZ . TYR D 2 145 ? 6.944 2.560 26.530 1.00 12.85 ? 145 TYR D CZ 1 +ATOM 4373 O OH . TYR D 2 145 ? 5.973 3.362 25.924 1.00 13.31 ? 145 TYR D OH 1 +ATOM 4374 N N . HIS D 2 146 ? 12.625 -1.243 26.753 1.00 26.11 ? 146 HIS D N 1 +ATOM 4375 C CA . HIS D 2 146 ? 14.229 -1.501 26.683 1.00 31.89 ? 146 HIS D CA 1 +ATOM 4376 C C . HIS D 2 146 ? 14.684 -0.644 25.577 1.00 21.33 ? 146 HIS D C 1 +ATOM 4377 O O . HIS D 2 146 ? 14.298 0.285 25.043 1.00 27.92 ? 146 HIS D O 1 +ATOM 4378 C CB . HIS D 2 146 ? 14.106 -3.154 26.208 1.00 30.13 ? 146 HIS D CB 1 +ATOM 4379 C CG . HIS D 2 146 ? 13.302 -3.158 25.041 1.00 40.51 ? 146 HIS D CG 1 +ATOM 4380 N ND1 . HIS D 2 146 ? 14.250 -3.363 23.467 1.00 47.51 ? 146 HIS D ND1 1 +ATOM 4381 C CD2 . HIS D 2 146 ? 12.608 -2.661 24.150 1.00 45.49 ? 146 HIS D CD2 1 +ATOM 4382 C CE1 . HIS D 2 146 ? 13.837 -3.447 22.948 1.00 56.67 ? 146 HIS D CE1 1 +ATOM 4383 N NE2 . HIS D 2 146 ? 12.427 -2.792 22.588 1.00 37.33 ? 146 HIS D NE2 1 +ATOM 4384 O OXT . HIS D 2 146 ? 16.064 -0.829 25.697 1.00 21.61 ? 146 HIS D OXT 1 +HETATM 4385 C CHA . HEM E 3 . ? 18.675 18.641 20.464 1.00 16.31 ? 142 HEM A CHA 1 +HETATM 4386 C CHB . HEM E 3 . ? 20.996 20.564 24.241 1.00 26.27 ? 142 HEM A CHB 1 +HETATM 4387 C CHC . HEM E 3 . ? 18.666 17.711 27.273 1.00 13.23 ? 142 HEM A CHC 1 +HETATM 4388 C CHD . HEM E 3 . ? 16.693 15.349 23.426 1.00 14.77 ? 142 HEM A CHD 1 +HETATM 4389 C C1A . HEM E 3 . ? 19.403 19.426 21.131 1.00 17.40 ? 142 HEM A C1A 1 +HETATM 4390 C C2A . HEM E 3 . ? 20.508 20.450 20.584 1.00 18.53 ? 142 HEM A C2A 1 +HETATM 4391 C C3A . HEM E 3 . ? 21.199 20.992 21.589 1.00 18.36 ? 142 HEM A C3A 1 +HETATM 4392 C C4A . HEM E 3 . ? 20.664 20.361 22.870 1.00 16.88 ? 142 HEM A C4A 1 +HETATM 4393 C CMA . HEM E 3 . ? 22.334 21.915 21.498 1.00 21.20 ? 142 HEM A CMA 1 +HETATM 4394 C CAA . HEM E 3 . ? 20.773 20.694 19.113 1.00 25.54 ? 142 HEM A CAA 1 +HETATM 4395 C CBA . HEM E 3 . ? 20.048 21.689 18.733 1.00 31.38 ? 142 HEM A CBA 1 +HETATM 4396 C CGA . HEM E 3 . ? 21.309 22.355 16.897 1.00 44.82 ? 142 HEM A CGA 1 +HETATM 4397 O O1A . HEM E 3 . ? 20.230 21.524 16.437 1.00 39.10 ? 142 HEM A O1A 1 +HETATM 4398 O O2A . HEM E 3 . ? 19.899 22.984 16.799 1.00 54.71 ? 142 HEM A O2A 1 +HETATM 4399 C C1B . HEM E 3 . ? 20.578 20.191 25.370 1.00 23.63 ? 142 HEM A C1B 1 +HETATM 4400 C C2B . HEM E 3 . ? 21.061 20.345 26.638 1.00 11.67 ? 142 HEM A C2B 1 +HETATM 4401 C C3B . HEM E 3 . ? 20.308 19.491 27.552 1.00 17.41 ? 142 HEM A C3B 1 +HETATM 4402 C C4B . HEM E 3 . ? 19.486 18.656 26.750 1.00 14.84 ? 142 HEM A C4B 1 +HETATM 4403 C CMB . HEM E 3 . ? 22.004 21.499 26.929 1.00 12.32 ? 142 HEM A CMB 1 +HETATM 4404 C CAB . HEM E 3 . ? 20.314 19.616 28.967 1.00 24.30 ? 142 HEM A CAB 1 +HETATM 4405 C CBB . HEM E 3 . ? 21.385 19.628 29.745 1.00 28.40 ? 142 HEM A CBB 1 +HETATM 4406 C C1C . HEM E 3 . ? 17.818 16.891 26.484 1.00 13.39 ? 142 HEM A C1C 1 +HETATM 4407 C C2C . HEM E 3 . ? 17.238 15.704 26.953 1.00 11.20 ? 142 HEM A C2C 1 +HETATM 4408 C C3C . HEM E 3 . ? 16.751 14.913 25.912 1.00 8.94 ? 142 HEM A C3C 1 +HETATM 4409 C C4C . HEM E 3 . ? 17.049 15.765 24.601 1.00 10.29 ? 142 HEM A C4C 1 +HETATM 4410 C CMC . HEM E 3 . ? 17.072 15.268 28.333 1.00 13.77 ? 142 HEM A CMC 1 +HETATM 4411 C CAC . HEM E 3 . ? 15.919 13.759 25.843 1.00 13.45 ? 142 HEM A CAC 1 +HETATM 4412 C CBC . HEM E 3 . ? 16.189 12.746 26.670 1.00 11.27 ? 142 HEM A CBC 1 +HETATM 4413 C C1D . HEM E 3 . ? 17.071 16.105 22.343 1.00 11.32 ? 142 HEM A C1D 1 +HETATM 4414 C C2D . HEM E 3 . ? 16.754 15.669 20.885 1.00 16.69 ? 142 HEM A C2D 1 +HETATM 4415 C C3D . HEM E 3 . ? 17.267 16.609 20.121 1.00 20.49 ? 142 HEM A C3D 1 +HETATM 4416 C C4D . HEM E 3 . ? 18.074 17.418 20.731 1.00 16.46 ? 142 HEM A C4D 1 +HETATM 4417 C CMD . HEM E 3 . ? 15.745 14.508 20.471 1.00 19.45 ? 142 HEM A CMD 1 +HETATM 4418 C CAD . HEM E 3 . ? 17.244 16.494 18.603 1.00 21.31 ? 142 HEM A CAD 1 +HETATM 4419 C CBD . HEM E 3 . ? 18.286 15.903 18.216 1.00 38.22 ? 142 HEM A CBD 1 +HETATM 4420 C CGD . HEM E 3 . ? 18.466 15.379 16.204 1.00 41.21 ? 142 HEM A CGD 1 +HETATM 4421 O O1D . HEM E 3 . ? 19.441 16.024 16.178 1.00 42.81 ? 142 HEM A O1D 1 +HETATM 4422 O O2D . HEM E 3 . ? 17.644 15.349 15.916 1.00 40.12 ? 142 HEM A O2D 1 +HETATM 4423 N NA . HEM E 3 . ? 19.740 19.452 22.406 1.00 16.46 ? 142 HEM A NA 1 +HETATM 4424 N NB . HEM E 3 . ? 19.787 19.035 25.367 1.00 12.29 ? 142 HEM A NB 1 +HETATM 4425 N NC . HEM E 3 . ? 17.647 16.819 25.044 1.00 15.07 ? 142 HEM A NC 1 +HETATM 4426 N ND . HEM E 3 . ? 17.661 17.229 22.154 1.00 13.07 ? 142 HEM A ND 1 +HETATM 4427 FE FE . HEM E 3 . ? 18.362 18.488 23.755 1.00 18.07 ? 142 HEM A FE 1 +HETATM 4428 P P . PO4 F 4 . ? 13.048 -8.180 44.783 1.00 32.97 ? 147 PO4 B P 1 +HETATM 4429 C CHA . HEM G 3 . ? 19.696 3.883 60.882 1.00 21.59 ? 148 HEM B CHA 1 +HETATM 4430 C CHB . HEM G 3 . ? 20.531 1.307 56.812 1.00 16.50 ? 148 HEM B CHB 1 +HETATM 4431 C CHC . HEM G 3 . ? 19.636 5.274 54.083 1.00 16.82 ? 148 HEM B CHC 1 +HETATM 4432 C CHD . HEM G 3 . ? 18.716 7.814 58.136 1.00 16.19 ? 148 HEM B CHD 1 +HETATM 4433 C C1A . HEM G 3 . ? 20.038 2.914 60.015 1.00 24.57 ? 148 HEM B C1A 1 +HETATM 4434 C C2A . HEM G 3 . ? 20.601 1.628 60.340 1.00 17.10 ? 148 HEM B C2A 1 +HETATM 4435 C C3A . HEM G 3 . ? 21.004 0.790 59.288 1.00 13.46 ? 148 HEM B C3A 1 +HETATM 4436 C C4A . HEM G 3 . ? 20.456 1.693 58.135 1.00 18.78 ? 148 HEM B C4A 1 +HETATM 4437 C CMA . HEM G 3 . ? 21.475 -0.544 59.191 1.00 20.21 ? 148 HEM B CMA 1 +HETATM 4438 C CAA . HEM G 3 . ? 20.843 1.153 61.811 1.00 21.16 ? 148 HEM B CAA 1 +HETATM 4439 C CBA . HEM G 3 . ? 19.662 0.448 62.341 1.00 27.78 ? 148 HEM B CBA 1 +HETATM 4440 C CGA . HEM G 3 . ? 19.478 -0.348 64.072 1.00 59.12 ? 148 HEM B CGA 1 +HETATM 4441 O O1A . HEM G 3 . ? 19.826 1.004 64.507 1.00 44.32 ? 148 HEM B O1A 1 +HETATM 4442 O O2A . HEM G 3 . ? 19.035 -0.826 63.962 1.00 46.16 ? 148 HEM B O2A 1 +HETATM 4443 C C1B . HEM G 3 . ? 20.300 2.161 55.701 1.00 10.36 ? 148 HEM B C1B 1 +HETATM 4444 C C2B . HEM G 3 . ? 20.580 1.732 54.232 1.00 7.33 ? 148 HEM B C2B 1 +HETATM 4445 C C3B . HEM G 3 . ? 20.293 2.817 53.607 1.00 15.63 ? 148 HEM B C3B 1 +HETATM 4446 C C4B . HEM G 3 . ? 19.876 3.979 54.587 1.00 15.33 ? 148 HEM B C4B 1 +HETATM 4447 C CMB . HEM G 3 . ? 20.914 0.425 54.068 1.00 14.96 ? 148 HEM B CMB 1 +HETATM 4448 C CAB . HEM G 3 . ? 20.376 3.027 52.014 1.00 19.63 ? 148 HEM B CAB 1 +HETATM 4449 C CBB . HEM G 3 . ? 21.354 2.423 51.345 1.00 39.39 ? 148 HEM B CBB 1 +HETATM 4450 C C1C . HEM G 3 . ? 19.317 6.327 55.097 1.00 14.39 ? 148 HEM B C1C 1 +HETATM 4451 C C2C . HEM G 3 . ? 19.211 7.643 54.498 1.00 10.78 ? 148 HEM B C2C 1 +HETATM 4452 C C3C . HEM G 3 . ? 18.939 8.567 55.685 1.00 10.68 ? 148 HEM B C3C 1 +HETATM 4453 C C4C . HEM G 3 . ? 18.923 7.406 56.661 1.00 8.70 ? 148 HEM B C4C 1 +HETATM 4454 C CMC . HEM G 3 . ? 19.339 8.147 53.123 1.00 13.95 ? 148 HEM B CMC 1 +HETATM 4455 C CAC . HEM G 3 . ? 18.612 9.938 55.795 1.00 11.87 ? 148 HEM B CAC 1 +HETATM 4456 C CBC . HEM G 3 . ? 19.172 10.844 55.145 1.00 12.63 ? 148 HEM B CBC 1 +HETATM 4457 C C1D . HEM G 3 . ? 19.006 6.998 59.241 1.00 18.32 ? 148 HEM B C1D 1 +HETATM 4458 C C2D . HEM G 3 . ? 18.768 7.424 60.638 1.00 15.48 ? 148 HEM B C2D 1 +HETATM 4459 C C3D . HEM G 3 . ? 18.923 6.175 61.235 1.00 14.57 ? 148 HEM B C3D 1 +HETATM 4460 C C4D . HEM G 3 . ? 19.494 5.137 60.358 1.00 20.76 ? 148 HEM B C4D 1 +HETATM 4461 C CMD . HEM G 3 . ? 18.544 8.862 61.055 1.00 27.50 ? 148 HEM B CMD 1 +HETATM 4462 C CAD . HEM G 3 . ? 19.226 6.338 62.819 1.00 13.85 ? 148 HEM B CAD 1 +HETATM 4463 C CBD . HEM G 3 . ? 20.641 6.416 63.304 1.00 17.11 ? 148 HEM B CBD 1 +HETATM 4464 C CGD . HEM G 3 . ? 20.969 6.040 65.088 1.00 27.09 ? 148 HEM B CGD 1 +HETATM 4465 O O1D . HEM G 3 . ? 22.104 6.528 65.136 1.00 27.49 ? 148 HEM B O1D 1 +HETATM 4466 O O2D . HEM G 3 . ? 19.864 6.347 65.549 1.00 23.65 ? 148 HEM B O2D 1 +HETATM 4467 N NA . HEM G 3 . ? 20.024 2.942 58.603 1.00 15.64 ? 148 HEM B NA 1 +HETATM 4468 N NB . HEM G 3 . ? 19.891 3.489 55.821 1.00 12.71 ? 148 HEM B NB 1 +HETATM 4469 N NC . HEM G 3 . ? 19.239 6.099 56.480 1.00 11.22 ? 148 HEM B NC 1 +HETATM 4470 N ND . HEM G 3 . ? 19.310 5.720 59.043 1.00 16.72 ? 148 HEM B ND 1 +HETATM 4471 FE FE . HEM G 3 . ? 19.264 4.466 57.461 1.00 15.00 ? 148 HEM B FE 1 +HETATM 4472 C CHA . HEM H 3 . ? 4.251 24.237 57.868 1.00 18.96 ? 142 HEM C CHA 1 +HETATM 4473 C CHB . HEM H 3 . ? 2.656 26.418 53.811 1.00 20.49 ? 142 HEM C CHB 1 +HETATM 4474 C CHC . HEM H 3 . ? 3.909 22.343 51.451 1.00 15.25 ? 142 HEM C CHC 1 +HETATM 4475 C CHD . HEM H 3 . ? 5.199 20.082 55.472 1.00 14.70 ? 142 HEM C CHD 1 +HETATM 4476 C C1A . HEM H 3 . ? 3.765 25.124 56.889 1.00 16.72 ? 142 HEM C C1A 1 +HETATM 4477 C C2A . HEM H 3 . ? 3.135 26.409 57.330 1.00 15.73 ? 142 HEM C C2A 1 +HETATM 4478 C C3A . HEM H 3 . ? 2.610 27.080 56.333 1.00 17.27 ? 142 HEM C C3A 1 +HETATM 4479 C C4A . HEM H 3 . ? 2.943 26.193 55.143 1.00 12.07 ? 142 HEM C C4A 1 +HETATM 4480 C CMA . HEM H 3 . ? 1.983 28.371 56.084 1.00 31.88 ? 142 HEM C CMA 1 +HETATM 4481 C CAA . HEM H 3 . ? 3.046 27.117 58.679 1.00 24.60 ? 142 HEM C CAA 1 +HETATM 4482 C CBA . HEM H 3 . ? 4.329 27.945 58.911 1.00 36.28 ? 142 HEM C CBA 1 +HETATM 4483 C CGA . HEM H 3 . ? 3.775 28.911 60.911 1.00 43.70 ? 142 HEM C CGA 1 +HETATM 4484 O O1A . HEM H 3 . ? 4.106 27.643 61.358 1.00 38.93 ? 142 HEM C O1A 1 +HETATM 4485 O O2A . HEM H 3 . ? 4.343 29.355 60.524 1.00 46.28 ? 142 HEM C O2A 1 +HETATM 4486 C C1B . HEM H 3 . ? 2.913 25.638 52.726 1.00 18.45 ? 142 HEM C C1B 1 +HETATM 4487 C C2B . HEM H 3 . ? 2.364 25.645 51.278 1.00 12.95 ? 142 HEM C C2B 1 +HETATM 4488 C C3B . HEM H 3 . ? 2.881 24.580 50.703 1.00 12.49 ? 142 HEM C C3B 1 +HETATM 4489 C C4B . HEM H 3 . ? 3.490 23.673 51.737 1.00 8.33 ? 142 HEM C C4B 1 +HETATM 4490 C CMB . HEM H 3 . ? 1.854 26.863 50.871 1.00 15.16 ? 142 HEM C CMB 1 +HETATM 4491 C CAB . HEM H 3 . ? 2.665 24.241 49.128 1.00 21.83 ? 142 HEM C CAB 1 +HETATM 4492 C CBB . HEM H 3 . ? 1.687 24.897 48.641 1.00 33.11 ? 142 HEM C CBB 1 +HETATM 4493 C C1C . HEM H 3 . ? 4.385 21.516 52.292 1.00 15.97 ? 142 HEM C C1C 1 +HETATM 4494 C C2C . HEM H 3 . ? 4.563 20.035 51.932 1.00 9.41 ? 142 HEM C C2C 1 +HETATM 4495 C C3C . HEM H 3 . ? 4.974 19.383 53.137 1.00 11.73 ? 142 HEM C C3C 1 +HETATM 4496 C C4C . HEM H 3 . ? 5.066 20.383 54.236 1.00 15.36 ? 142 HEM C C4C 1 +HETATM 4497 C CMC . HEM H 3 . ? 4.502 19.452 50.568 1.00 13.23 ? 142 HEM C CMC 1 +HETATM 4498 C CAC . HEM H 3 . ? 5.196 18.038 53.366 1.00 19.55 ? 142 HEM C CAC 1 +HETATM 4499 C CBC . HEM H 3 . ? 4.661 16.883 52.628 1.00 14.52 ? 142 HEM C CBC 1 +HETATM 4500 C C1D . HEM H 3 . ? 5.018 21.161 56.456 1.00 11.54 ? 142 HEM C C1D 1 +HETATM 4501 C C2D . HEM H 3 . ? 5.407 20.858 57.961 1.00 12.94 ? 142 HEM C C2D 1 +HETATM 4502 C C3D . HEM H 3 . ? 5.052 22.019 58.552 1.00 11.38 ? 142 HEM C C3D 1 +HETATM 4503 C C4D . HEM H 3 . ? 4.735 23.011 57.662 1.00 11.29 ? 142 HEM C C4D 1 +HETATM 4504 C CMD . HEM H 3 . ? 5.894 19.560 58.433 1.00 13.29 ? 142 HEM C CMD 1 +HETATM 4505 C CAD . HEM H 3 . ? 5.092 22.124 60.147 1.00 15.84 ? 142 HEM C CAD 1 +HETATM 4506 C CBD . HEM H 3 . ? 3.813 21.818 60.637 1.00 21.27 ? 142 HEM C CBD 1 +HETATM 4507 C CGD . HEM H 3 . ? 3.734 22.247 62.515 1.00 26.94 ? 142 HEM C CGD 1 +HETATM 4508 O O1D . HEM H 3 . ? 2.827 22.571 62.603 1.00 30.21 ? 142 HEM C O1D 1 +HETATM 4509 O O2D . HEM H 3 . ? 4.388 21.393 62.880 1.00 25.95 ? 142 HEM C O2D 1 +HETATM 4510 N NA . HEM H 3 . ? 3.598 25.067 55.570 1.00 16.55 ? 142 HEM C NA 1 +HETATM 4511 N NB . HEM H 3 . ? 3.462 24.312 52.870 1.00 12.79 ? 142 HEM C NB 1 +HETATM 4512 N NC . HEM H 3 . ? 4.712 21.591 53.665 1.00 12.28 ? 142 HEM C NC 1 +HETATM 4513 N ND . HEM H 3 . ? 4.793 22.519 56.403 1.00 12.30 ? 142 HEM C ND 1 +HETATM 4514 FE FE . HEM H 3 . ? 4.445 23.463 54.548 1.00 16.89 ? 142 HEM C FE 1 +HETATM 4515 P P . PO4 I 4 . ? 0.748 -6.346 38.809 1.00 31.17 ? 147 PO4 D P 1 +HETATM 4516 C CHA . HEM J 3 . ? -2.352 3.877 20.823 1.00 19.84 ? 148 HEM D CHA 1 +HETATM 4517 C CHB . HEM J 3 . ? -3.814 2.360 25.062 1.00 16.61 ? 148 HEM D CHB 1 +HETATM 4518 C CHC . HEM J 3 . ? -1.791 5.984 27.129 1.00 13.93 ? 148 HEM D CHC 1 +HETATM 4519 C CHD . HEM J 3 . ? 0.009 7.659 22.833 1.00 15.88 ? 148 HEM D CHD 1 +HETATM 4520 C C1A . HEM J 3 . ? -3.051 3.076 21.759 1.00 28.09 ? 148 HEM D C1A 1 +HETATM 4521 C C2A . HEM J 3 . ? -4.147 1.993 21.447 1.00 22.30 ? 148 HEM D C2A 1 +HETATM 4522 C C3A . HEM J 3 . ? -4.533 1.556 22.586 1.00 22.59 ? 148 HEM D C3A 1 +HETATM 4523 C C4A . HEM J 3 . ? -3.678 2.444 23.644 1.00 25.38 ? 148 HEM D C4A 1 +HETATM 4524 C CMA . HEM J 3 . ? -5.548 0.622 22.950 1.00 20.23 ? 148 HEM D CMA 1 +HETATM 4525 C CAA . HEM J 3 . ? -4.487 1.500 19.875 1.00 19.24 ? 148 HEM D CAA 1 +HETATM 4526 C CBA . HEM J 3 . ? -3.521 0.804 19.553 1.00 50.08 ? 148 HEM D CBA 1 +HETATM 4527 C CGA . HEM J 3 . ? -3.140 0.203 17.272 1.00 47.00 ? 148 HEM D CGA 1 +HETATM 4528 O O1A . HEM J 3 . ? -4.454 0.157 17.696 1.00 49.99 ? 148 HEM D O1A 1 +HETATM 4529 O O2A . HEM J 3 . ? -2.759 -1.510 17.524 1.00 55.24 ? 148 HEM D O2A 1 +HETATM 4530 C C1B . HEM J 3 . ? -3.322 3.050 26.126 1.00 14.32 ? 148 HEM D C1B 1 +HETATM 4531 C C2B . HEM J 3 . ? -3.550 3.027 27.437 1.00 15.75 ? 148 HEM D C2B 1 +HETATM 4532 C C3B . HEM J 3 . ? -2.926 3.983 28.016 1.00 14.95 ? 148 HEM D C3B 1 +HETATM 4533 C C4B . HEM J 3 . ? -2.272 4.739 26.961 1.00 12.78 ? 148 HEM D C4B 1 +HETATM 4534 C CMB . HEM J 3 . ? -4.267 1.954 27.997 1.00 18.74 ? 148 HEM D CMB 1 +HETATM 4535 C CAB . HEM J 3 . ? -2.846 4.354 29.573 1.00 16.19 ? 148 HEM D CAB 1 +HETATM 4536 C CBB . HEM J 3 . ? -3.708 4.424 30.032 1.00 34.22 ? 148 HEM D CBB 1 +HETATM 4537 C C1C . HEM J 3 . ? -1.235 6.715 26.253 1.00 14.15 ? 148 HEM D C1C 1 +HETATM 4538 C C2C . HEM J 3 . ? -0.436 8.144 26.363 1.00 16.84 ? 148 HEM D C2C 1 +HETATM 4539 C C3C . HEM J 3 . ? 0.127 8.530 25.154 1.00 13.21 ? 148 HEM D C3C 1 +HETATM 4540 C C4C . HEM J 3 . ? -0.351 7.466 24.259 1.00 15.07 ? 148 HEM D C4C 1 +HETATM 4541 C CMC . HEM J 3 . ? -0.442 8.954 27.749 1.00 18.77 ? 148 HEM D CMC 1 +HETATM 4542 C CAC . HEM J 3 . ? 0.809 9.659 24.837 1.00 13.84 ? 148 HEM D CAC 1 +HETATM 4543 C CBC . HEM J 3 . ? 0.524 10.806 25.274 1.00 20.77 ? 148 HEM D CBC 1 +HETATM 4544 C C1D . HEM J 3 . ? -0.498 6.544 21.800 1.00 18.28 ? 148 HEM D C1D 1 +HETATM 4545 C C2D . HEM J 3 . ? -0.447 6.890 20.467 1.00 20.40 ? 148 HEM D C2D 1 +HETATM 4546 C C3D . HEM J 3 . ? -1.152 5.676 19.845 1.00 19.16 ? 148 HEM D C3D 1 +HETATM 4547 C C4D . HEM J 3 . ? -1.929 5.008 20.769 1.00 19.80 ? 148 HEM D C4D 1 +HETATM 4548 C CMD . HEM J 3 . ? 0.398 7.913 19.789 1.00 25.65 ? 148 HEM D CMD 1 +HETATM 4549 C CAD . HEM J 3 . ? -1.337 5.671 18.300 1.00 23.94 ? 148 HEM D CAD 1 +HETATM 4550 C CBD . HEM J 3 . ? -2.315 6.581 17.878 1.00 45.78 ? 148 HEM D CBD 1 +HETATM 4551 C CGD . HEM J 3 . ? -3.042 6.103 16.062 1.00 48.49 ? 148 HEM D CGD 1 +HETATM 4552 O O1D . HEM J 3 . ? -2.171 7.406 15.697 1.00 40.71 ? 148 HEM D O1D 1 +HETATM 4553 O O2D . HEM J 3 . ? -2.568 5.381 15.796 1.00 45.79 ? 148 HEM D O2D 1 +HETATM 4554 N NA . HEM J 3 . ? -2.975 3.248 23.071 1.00 15.98 ? 148 HEM D NA 1 +HETATM 4555 N NB . HEM J 3 . ? -2.569 4.252 25.747 1.00 14.27 ? 148 HEM D NB 1 +HETATM 4556 N NC . HEM J 3 . ? -1.102 6.496 24.910 1.00 12.21 ? 148 HEM D NC 1 +HETATM 4557 N ND . HEM J 3 . ? -1.471 5.558 22.069 1.00 12.94 ? 148 HEM D ND 1 +HETATM 4558 FE FE . HEM J 3 . ? -1.727 4.699 23.942 1.00 15.46 ? 148 HEM D FE 1 +HETATM 4559 O O . HOH K 5 . ? 37.888 9.993 38.795 1.00 21.15 ? 143 HOH A O 1 +HETATM 4560 O O . HOH K 5 . ? 20.373 15.891 24.675 1.00 29.96 ? 144 HOH A O 1 +HETATM 4561 O O . HOH K 5 . ? 25.776 7.463 13.007 1.00 23.65 ? 145 HOH A O 1 +HETATM 4562 O O . HOH K 5 . ? 24.502 13.916 42.712 1.00 23.17 ? 146 HOH A O 1 +HETATM 4563 O O . HOH K 5 . ? 29.383 24.405 46.762 1.00 26.86 ? 147 HOH A O 1 +HETATM 4564 O O . HOH K 5 . ? 34.557 20.187 49.190 1.00 30.53 ? 148 HOH A O 1 +HETATM 4565 O O . HOH K 5 . ? 35.010 7.121 31.358 1.00 27.68 ? 149 HOH A O 1 +HETATM 4566 O O . HOH K 5 . ? 22.109 15.053 39.415 1.00 27.27 ? 150 HOH A O 1 +HETATM 4567 O O . HOH K 5 . ? 41.542 15.549 37.394 1.00 29.31 ? 151 HOH A O 1 +HETATM 4568 O O . HOH K 5 . ? 6.591 15.493 33.957 1.00 29.54 ? 152 HOH A O 1 +HETATM 4569 O O . HOH K 5 . ? 44.159 19.200 43.061 1.00 35.74 ? 153 HOH A O 1 +HETATM 4570 O O . HOH K 5 . ? 46.081 18.856 41.009 1.00 31.58 ? 154 HOH A O 1 +HETATM 4571 O O . HOH K 5 . ? 39.830 9.144 36.957 1.00 37.73 ? 155 HOH A O 1 +HETATM 4572 O O . HOH K 5 . ? 32.698 23.417 24.374 1.00 37.58 ? 156 HOH A O 1 +HETATM 4573 O O . HOH K 5 . ? 21.214 18.454 38.464 1.00 29.83 ? 157 HOH A O 1 +HETATM 4574 O O . HOH K 5 . ? 37.402 8.158 32.867 1.00 34.75 ? 158 HOH A O 1 +HETATM 4575 O O . HOH K 5 . ? 21.828 16.575 16.931 1.00 35.95 ? 159 HOH A O 1 +HETATM 4576 O O . HOH K 5 . ? 11.595 25.926 27.182 1.00 27.36 ? 160 HOH A O 1 +HETATM 4577 O O . HOH K 5 . ? 14.533 4.664 32.017 1.00 27.80 ? 161 HOH A O 1 +HETATM 4578 O O . HOH K 5 . ? 9.537 10.066 20.163 1.00 29.65 ? 162 HOH A O 1 +HETATM 4579 O O . HOH K 5 . ? 5.313 22.342 25.119 1.00 30.27 ? 163 HOH A O 1 +HETATM 4580 O O . HOH K 5 . ? 15.518 30.976 27.654 1.00 37.13 ? 164 HOH A O 1 +HETATM 4581 O O . HOH K 5 . ? 19.771 14.847 38.487 1.00 31.92 ? 165 HOH A O 1 +HETATM 4582 O O . HOH K 5 . ? 12.544 12.993 19.238 1.00 30.86 ? 166 HOH A O 1 +HETATM 4583 O O . HOH K 5 . ? 18.314 18.718 36.329 1.00 34.91 ? 167 HOH A O 1 +HETATM 4584 O O . HOH K 5 . ? 21.272 32.967 34.644 1.00 34.13 ? 168 HOH A O 1 +HETATM 4585 O O . HOH K 5 . ? 31.580 13.773 20.641 1.00 36.10 ? 169 HOH A O 1 +HETATM 4586 O O . HOH K 5 . ? 25.219 33.314 23.876 1.00 37.77 ? 170 HOH A O 1 +HETATM 4587 O O . HOH K 5 . ? 39.072 15.237 45.020 1.00 39.01 ? 171 HOH A O 1 +HETATM 4588 O O . HOH K 5 . ? 25.087 3.887 32.134 1.00 35.74 ? 172 HOH A O 1 +HETATM 4589 O O . HOH K 5 . ? 28.205 5.638 21.827 1.00 36.03 ? 173 HOH A O 1 +HETATM 4590 O O . HOH K 5 . ? 25.438 23.710 20.569 1.00 34.06 ? 174 HOH A O 1 +HETATM 4591 O O . HOH K 5 . ? 40.122 11.821 32.127 1.00 35.04 ? 175 HOH A O 1 +HETATM 4592 O O . HOH K 5 . ? 19.516 17.834 41.431 1.00 38.02 ? 176 HOH A O 1 +HETATM 4593 O O . HOH K 5 . ? 4.438 24.846 21.275 1.00 39.72 ? 177 HOH A O 1 +HETATM 4594 O O . HOH K 5 . ? 20.519 29.238 22.425 1.00 36.40 ? 178 HOH A O 1 +HETATM 4595 O O . HOH K 5 . ? 26.629 25.655 46.764 1.00 37.52 ? 179 HOH A O 1 +HETATM 4596 O O . HOH K 5 . ? 28.756 23.927 49.037 1.00 38.53 ? 180 HOH A O 1 +HETATM 4597 O O . HOH K 5 . ? 13.609 18.788 35.045 1.00 42.85 ? 181 HOH A O 1 +HETATM 4598 O O . HOH K 5 . ? 19.804 31.795 21.957 1.00 39.27 ? 182 HOH A O 1 +HETATM 4599 O O . HOH K 5 . ? 19.738 0.604 34.452 1.00 38.61 ? 183 HOH A O 1 +HETATM 4600 O O . HOH K 5 . ? 40.002 12.304 29.233 1.00 34.80 ? 184 HOH A O 1 +HETATM 4601 O O . HOH K 5 . ? 34.849 9.935 27.178 1.00 42.30 ? 185 HOH A O 1 +HETATM 4602 O O . HOH K 5 . ? 6.928 26.078 31.763 1.00 38.29 ? 186 HOH A O 1 +HETATM 4603 O O . HOH K 5 . ? 36.929 29.682 38.432 1.00 39.37 ? 187 HOH A O 1 +HETATM 4604 O O . HOH K 5 . ? 38.089 21.581 42.434 1.00 40.95 ? 188 HOH A O 1 +HETATM 4605 O O . HOH K 5 . ? 28.217 35.466 32.478 1.00 41.35 ? 189 HOH A O 1 +HETATM 4606 O O . HOH K 5 . ? 24.184 14.780 15.600 1.00 37.45 ? 190 HOH A O 1 +HETATM 4607 O O . HOH K 5 . ? 24.733 4.657 22.757 1.00 39.12 ? 191 HOH A O 1 +HETATM 4608 O O . HOH K 5 . ? 15.163 4.312 20.071 1.00 38.62 ? 192 HOH A O 1 +HETATM 4609 O O . HOH K 5 . ? 31.681 5.918 25.911 1.00 37.05 ? 193 HOH A O 1 +HETATM 4610 O O . HOH K 5 . ? 32.746 9.738 24.118 1.00 36.25 ? 194 HOH A O 1 +HETATM 4611 O O . HOH K 5 . ? 35.759 16.236 22.395 1.00 35.85 ? 195 HOH A O 1 +HETATM 4612 O O . HOH K 5 . ? 41.892 24.480 29.906 1.00 37.62 ? 196 HOH A O 1 +HETATM 4613 O O . HOH K 5 . ? 40.074 25.608 35.391 1.00 42.54 ? 197 HOH A O 1 +HETATM 4614 O O . HOH K 5 . ? 21.268 31.043 38.701 1.00 39.90 ? 198 HOH A O 1 +HETATM 4615 O O . HOH L 5 . ? 11.128 12.595 56.195 1.00 21.64 ? 149 HOH B O 1 +HETATM 4616 O O . HOH L 5 . ? 4.568 6.649 55.777 1.00 29.94 ? 150 HOH B O 1 +HETATM 4617 O O . HOH L 5 . ? 24.881 -3.365 32.126 1.00 26.33 ? 151 HOH B O 1 +HETATM 4618 O O . HOH L 5 . ? 18.928 3.797 39.407 1.00 27.87 ? 152 HOH B O 1 +HETATM 4619 O O . HOH L 5 . ? 34.402 4.205 31.402 1.00 33.60 ? 153 HOH B O 1 +HETATM 4620 O O . HOH L 5 . ? 39.801 1.973 38.725 1.00 27.86 ? 154 HOH B O 1 +HETATM 4621 O O . HOH L 5 . ? 19.755 3.283 47.405 1.00 34.89 ? 155 HOH B O 1 +HETATM 4622 O O . HOH L 5 . ? 10.933 -4.798 51.901 1.00 29.82 ? 156 HOH B O 1 +HETATM 4623 O O . HOH L 5 . ? 35.020 -2.241 34.118 1.00 34.30 ? 157 HOH B O 1 +HETATM 4624 O O . HOH L 5 . ? 13.498 -4.239 45.190 1.00 29.36 ? 158 HOH B O 1 +HETATM 4625 O O . HOH L 5 . ? 40.077 7.217 34.998 1.00 34.23 ? 159 HOH B O 1 +HETATM 4626 O O . HOH L 5 . ? 29.074 -7.819 49.640 1.00 34.06 ? 160 HOH B O 1 +HETATM 4627 O O . HOH L 5 . ? 14.523 10.491 62.823 1.00 34.98 ? 161 HOH B O 1 +HETATM 4628 O O . HOH L 5 . ? 35.156 18.919 51.618 1.00 34.02 ? 162 HOH B O 1 +HETATM 4629 O O . HOH L 5 . ? 20.480 12.891 42.183 1.00 33.29 ? 163 HOH B O 1 +HETATM 4630 O O . HOH L 5 . ? 25.633 -1.926 59.302 1.00 32.12 ? 164 HOH B O 1 +HETATM 4631 O O . HOH L 5 . ? 6.897 7.942 59.455 1.00 35.56 ? 165 HOH B O 1 +HETATM 4632 O O . HOH L 5 . ? 18.863 6.507 42.991 1.00 34.98 ? 166 HOH B O 1 +HETATM 4633 O O . HOH L 5 . ? 33.339 -4.585 36.966 1.00 37.65 ? 167 HOH B O 1 +HETATM 4634 O O . HOH L 5 . ? 8.784 -0.051 46.972 1.00 34.45 ? 168 HOH B O 1 +HETATM 4635 O O . HOH L 5 . ? 34.155 -4.557 49.753 1.00 33.37 ? 169 HOH B O 1 +HETATM 4636 O O . HOH L 5 . ? 44.085 3.217 28.983 1.00 35.71 ? 170 HOH B O 1 +HETATM 4637 O O . HOH L 5 . ? 33.378 18.493 61.599 1.00 38.68 ? 171 HOH B O 1 +HETATM 4638 O O . HOH L 5 . ? 29.832 -6.934 53.230 1.00 40.56 ? 172 HOH B O 1 +HETATM 4639 O O . HOH L 5 . ? 16.083 -5.618 57.345 1.00 34.56 ? 173 HOH B O 1 +HETATM 4640 O O . HOH L 5 . ? 8.449 4.205 70.977 1.00 36.28 ? 174 HOH B O 1 +HETATM 4641 O O . HOH L 5 . ? 24.303 6.250 63.399 1.00 31.60 ? 175 HOH B O 1 +HETATM 4642 O O . HOH L 5 . ? 32.258 -8.412 46.041 1.00 34.00 ? 176 HOH B O 1 +HETATM 4643 O O . HOH L 5 . ? 16.542 9.589 63.860 1.00 36.71 ? 177 HOH B O 1 +HETATM 4644 O O . HOH L 5 . ? 26.846 7.823 63.995 1.00 34.84 ? 178 HOH B O 1 +HETATM 4645 O O . HOH L 5 . ? 33.275 11.732 55.070 1.00 33.20 ? 179 HOH B O 1 +HETATM 4646 O O . HOH L 5 . ? 26.143 -5.553 30.845 1.00 37.19 ? 180 HOH B O 1 +HETATM 4647 O O . HOH L 5 . ? 32.661 -2.801 31.194 1.00 35.87 ? 181 HOH B O 1 +HETATM 4648 O O . HOH L 5 . ? -1.108 3.263 54.042 1.00 36.08 ? 182 HOH B O 1 +HETATM 4649 O O . HOH L 5 . ? 25.210 22.546 61.505 1.00 38.22 ? 183 HOH B O 1 +HETATM 4650 O O . HOH L 5 . ? 20.243 19.412 60.923 1.00 43.17 ? 184 HOH B O 1 +HETATM 4651 O O . HOH L 5 . ? 38.545 -4.028 49.497 1.00 36.03 ? 185 HOH B O 1 +HETATM 4652 O O . HOH L 5 . ? 21.918 -5.838 54.913 1.00 39.57 ? 186 HOH B O 1 +HETATM 4653 O O . HOH L 5 . ? 35.351 20.809 61.223 1.00 37.45 ? 187 HOH B O 1 +HETATM 4654 O O . HOH L 5 . ? 4.494 0.683 50.042 1.00 38.65 ? 188 HOH B O 1 +HETATM 4655 O O . HOH L 5 . ? 26.253 27.350 57.373 1.00 36.93 ? 189 HOH B O 1 +HETATM 4656 O O . HOH L 5 . ? 36.795 17.395 55.779 1.00 42.01 ? 190 HOH B O 1 +HETATM 4657 O O . HOH L 5 . ? 16.456 -9.430 57.455 1.00 42.33 ? 191 HOH B O 1 +HETATM 4658 O O . HOH L 5 . ? 2.494 5.651 59.158 1.00 38.06 ? 192 HOH B O 1 +HETATM 4659 O O . HOH L 5 . ? 21.544 3.059 64.833 1.00 39.34 ? 193 HOH B O 1 +HETATM 4660 O O . HOH L 5 . ? 13.594 9.764 42.687 1.00 42.17 ? 194 HOH B O 1 +HETATM 4661 O O . HOH L 5 . ? 13.423 12.708 41.803 1.00 41.40 ? 195 HOH B O 1 +HETATM 4662 O O . HOH L 5 . ? 11.664 -11.409 54.888 1.00 39.83 ? 196 HOH B O 1 +HETATM 4663 O O . HOH L 5 . ? 15.794 -8.681 44.890 1.00 43.08 ? 197 HOH B O 1 +HETATM 4664 O O . HOH L 5 . ? 33.903 7.800 62.887 1.00 38.10 ? 198 HOH B O 1 +HETATM 4665 O O . HOH L 5 . ? 24.476 23.079 58.818 1.00 40.23 ? 199 HOH B O 1 +HETATM 4666 O O . HOH L 5 . ? 30.912 18.554 65.903 1.00 39.03 ? 200 HOH B O 1 +HETATM 4667 O O . HOH L 5 . ? 24.493 22.373 47.998 1.00 44.34 ? 201 HOH B O 1 +HETATM 4668 O O . HOH L 5 . ? 35.356 8.568 53.861 1.00 39.78 ? 202 HOH B O 1 +HETATM 4669 O O . HOH L 5 . ? 35.213 11.168 53.150 1.00 42.94 ? 203 HOH B O 1 +HETATM 4670 O O . HOH L 5 . ? 31.256 -6.939 51.106 1.00 53.60 ? 204 HOH B O 1 +HETATM 4671 O O . HOH L 5 . ? 32.523 -11.687 46.706 1.00 45.18 ? 205 HOH B O 1 +HETATM 4672 O O . HOH M 5 . ? 7.751 11.347 49.533 1.00 21.26 ? 143 HOH C O 1 +HETATM 4673 O O . HOH M 5 . ? 13.211 27.616 49.941 1.00 21.54 ? 144 HOH C O 1 +HETATM 4674 O O . HOH M 5 . ? -4.882 28.113 30.481 1.00 23.30 ? 145 HOH C O 1 +HETATM 4675 O O . HOH M 5 . ? -3.201 18.008 36.389 1.00 22.15 ? 146 HOH C O 1 +HETATM 4676 O O . HOH M 5 . ? 17.864 22.968 52.831 1.00 28.02 ? 147 HOH C O 1 +HETATM 4677 O O . HOH M 5 . ? -0.515 18.947 39.771 1.00 32.97 ? 148 HOH C O 1 +HETATM 4678 O O . HOH M 5 . ? 1.730 21.367 54.232 1.00 33.04 ? 149 HOH C O 1 +HETATM 4679 O O . HOH M 5 . ? 3.755 21.742 41.935 1.00 27.40 ? 150 HOH C O 1 +HETATM 4680 O O . HOH M 5 . ? 10.212 13.984 60.044 1.00 29.84 ? 151 HOH C O 1 +HETATM 4681 O O . HOH M 5 . ? 13.373 14.314 54.110 1.00 30.74 ? 152 HOH C O 1 +HETATM 4682 O O . HOH M 5 . ? 12.514 34.126 57.906 1.00 29.22 ? 153 HOH C O 1 +HETATM 4683 O O . HOH M 5 . ? -7.488 31.948 53.044 1.00 32.40 ? 154 HOH C O 1 +HETATM 4684 O O . HOH M 5 . ? 1.816 18.203 40.742 1.00 28.46 ? 155 HOH C O 1 +HETATM 4685 O O . HOH M 5 . ? 13.300 26.579 43.284 1.00 38.51 ? 156 HOH C O 1 +HETATM 4686 O O . HOH M 5 . ? 5.712 34.152 54.021 1.00 35.20 ? 157 HOH C O 1 +HETATM 4687 O O . HOH M 5 . ? 8.626 17.379 60.182 1.00 39.88 ? 158 HOH C O 1 +HETATM 4688 O O . HOH M 5 . ? 7.723 10.076 47.130 1.00 36.39 ? 159 HOH C O 1 +HETATM 4689 O O . HOH M 5 . ? 1.492 22.040 40.040 1.00 29.81 ? 160 HOH C O 1 +HETATM 4690 O O . HOH M 5 . ? 13.101 36.241 54.430 1.00 33.74 ? 161 HOH C O 1 +HETATM 4691 O O . HOH M 5 . ? 9.603 39.282 52.951 1.00 31.03 ? 162 HOH C O 1 +HETATM 4692 O O . HOH M 5 . ? 14.492 15.367 45.494 1.00 29.72 ? 163 HOH C O 1 +HETATM 4693 O O . HOH M 5 . ? 0.674 23.849 61.430 1.00 31.11 ? 164 HOH C O 1 +HETATM 4694 O O . HOH M 5 . ? -0.437 31.011 56.519 1.00 30.77 ? 165 HOH C O 1 +HETATM 4695 O O . HOH M 5 . ? -5.841 12.908 69.172 1.00 34.94 ? 166 HOH C O 1 +HETATM 4696 O O . HOH M 5 . ? 10.707 32.085 58.456 1.00 34.58 ? 167 HOH C O 1 +HETATM 4697 O O . HOH M 5 . ? -6.360 10.359 48.509 1.00 37.69 ? 168 HOH C O 1 +HETATM 4698 O O . HOH M 5 . ? 4.625 27.341 36.340 1.00 34.39 ? 169 HOH C O 1 +HETATM 4699 O O . HOH M 5 . ? 7.609 23.434 40.703 1.00 35.72 ? 170 HOH C O 1 +HETATM 4700 O O . HOH M 5 . ? -15.101 16.635 48.609 1.00 32.50 ? 171 HOH C O 1 +HETATM 4701 O O . HOH M 5 . ? 1.395 10.768 62.783 1.00 37.91 ? 172 HOH C O 1 +HETATM 4702 O O . HOH M 5 . ? -2.069 22.416 63.264 1.00 36.81 ? 173 HOH C O 1 +HETATM 4703 O O . HOH M 5 . ? -2.553 35.887 28.536 1.00 37.83 ? 174 HOH C O 1 +HETATM 4704 O O . HOH M 5 . ? 5.645 36.313 41.309 1.00 35.70 ? 175 HOH C O 1 +HETATM 4705 O O . HOH M 5 . ? 8.976 39.311 44.837 1.00 37.22 ? 176 HOH C O 1 +HETATM 4706 O O . HOH M 5 . ? -10.754 30.936 31.207 1.00 34.30 ? 177 HOH C O 1 +HETATM 4707 O O . HOH M 5 . ? -1.542 31.519 29.019 1.00 36.92 ? 178 HOH C O 1 +HETATM 4708 O O . HOH M 5 . ? -6.187 36.528 47.282 1.00 34.30 ? 179 HOH C O 1 +HETATM 4709 O O . HOH M 5 . ? 14.576 28.773 42.003 1.00 39.46 ? 180 HOH C O 1 +HETATM 4710 O O . HOH M 5 . ? 11.133 33.696 48.526 1.00 37.49 ? 181 HOH C O 1 +HETATM 4711 O O . HOH M 5 . ? 9.712 15.953 61.943 1.00 39.39 ? 182 HOH C O 1 +HETATM 4712 O O . HOH M 5 . ? 20.931 25.461 52.434 1.00 34.40 ? 183 HOH C O 1 +HETATM 4713 O O . HOH M 5 . ? 8.831 20.378 43.601 1.00 37.01 ? 184 HOH C O 1 +HETATM 4714 O O . HOH M 5 . ? 18.338 22.987 42.474 1.00 35.17 ? 185 HOH C O 1 +HETATM 4715 O O . HOH M 5 . ? 7.617 36.913 53.764 1.00 35.39 ? 186 HOH C O 1 +HETATM 4716 O O . HOH M 5 . ? 3.667 33.827 55.220 1.00 39.95 ? 187 HOH C O 1 +HETATM 4717 O O . HOH M 5 . ? 7.629 27.241 38.175 1.00 39.36 ? 188 HOH C O 1 +HETATM 4718 O O . HOH M 5 . ? 5.014 8.798 46.167 1.00 40.89 ? 189 HOH C O 1 +HETATM 4719 O O . HOH M 5 . ? 17.289 25.478 45.992 1.00 40.24 ? 190 HOH C O 1 +HETATM 4720 O O . HOH M 5 . ? 8.302 30.847 40.892 1.00 36.37 ? 191 HOH C O 1 +HETATM 4721 O O . HOH M 5 . ? 11.029 25.526 38.376 1.00 43.19 ? 192 HOH C O 1 +HETATM 4722 O O . HOH M 5 . ? -8.186 9.686 56.832 1.00 35.55 ? 193 HOH C O 1 +HETATM 4723 O O . HOH M 5 . ? 19.363 23.556 54.792 1.00 41.86 ? 194 HOH C O 1 +HETATM 4724 O O . HOH M 5 . ? 14.769 37.111 51.861 1.00 43.02 ? 195 HOH C O 1 +HETATM 4725 O O . HOH M 5 . ? 1.115 18.145 68.757 1.00 44.30 ? 196 HOH C O 1 +HETATM 4726 O O . HOH M 5 . ? -10.016 7.592 56.161 1.00 40.17 ? 197 HOH C O 1 +HETATM 4727 O O . HOH M 5 . ? 3.770 10.254 60.803 1.00 36.98 ? 198 HOH C O 1 +HETATM 4728 O O . HOH M 5 . ? -12.098 19.754 55.112 1.00 33.31 ? 199 HOH C O 1 +HETATM 4729 O O . HOH M 5 . ? -21.425 27.959 52.014 1.00 40.72 ? 200 HOH C O 1 +HETATM 4730 O O . HOH M 5 . ? -2.250 28.436 30.695 1.00 43.21 ? 201 HOH C O 1 +HETATM 4731 O O . HOH N 5 . ? 8.809 9.921 23.769 1.00 18.64 ? 149 HOH D O 1 +HETATM 4732 O O . HOH N 5 . ? -1.782 -5.584 26.029 1.00 26.28 ? 150 HOH D O 1 +HETATM 4733 O O . HOH N 5 . ? 11.814 8.780 30.485 1.00 23.08 ? 151 HOH D O 1 +HETATM 4734 O O . HOH N 5 . ? 6.812 12.848 25.929 1.00 25.33 ? 152 HOH D O 1 +HETATM 4735 O O . HOH N 5 . ? -0.557 7.407 41.880 1.00 30.48 ? 153 HOH D O 1 +HETATM 4736 O O . HOH N 5 . ? -0.700 -8.692 26.698 1.00 34.60 ? 154 HOH D O 1 +HETATM 4737 O O . HOH N 5 . ? -8.364 3.835 50.374 1.00 35.82 ? 155 HOH D O 1 +HETATM 4738 O O . HOH N 5 . ? 13.063 2.419 25.471 1.00 27.68 ? 156 HOH D O 1 +HETATM 4739 O O . HOH N 5 . ? -1.004 -10.790 23.437 1.00 35.93 ? 157 HOH D O 1 +HETATM 4740 O O . HOH N 5 . ? 0.559 20.840 18.695 1.00 40.04 ? 158 HOH D O 1 +HETATM 4741 O O . HOH N 5 . ? -8.450 9.149 16.631 1.00 32.57 ? 159 HOH D O 1 +HETATM 4742 O O . HOH N 5 . ? 0.263 0.823 42.760 1.00 34.30 ? 160 HOH D O 1 +HETATM 4743 O O . HOH N 5 . ? 5.703 13.936 28.226 1.00 34.78 ? 161 HOH D O 1 +HETATM 4744 O O . HOH N 5 . ? -19.146 17.851 37.080 1.00 38.63 ? 162 HOH D O 1 +HETATM 4745 O O . HOH N 5 . ? -18.092 1.509 32.880 1.00 33.22 ? 163 HOH D O 1 +HETATM 4746 O O . HOH N 5 . ? 3.383 -5.740 20.675 1.00 35.47 ? 164 HOH D O 1 +HETATM 4747 O O . HOH N 5 . ? 3.848 -5.540 31.013 1.00 30.23 ? 165 HOH D O 1 +HETATM 4748 O O . HOH N 5 . ? -15.238 14.046 49.265 1.00 34.33 ? 166 HOH D O 1 +HETATM 4749 O O . HOH N 5 . ? -2.598 5.396 46.962 1.00 38.68 ? 167 HOH D O 1 +HETATM 4750 O O . HOH N 5 . ? 0.334 15.342 37.427 1.00 38.71 ? 168 HOH D O 1 +HETATM 4751 O O . HOH N 5 . ? -16.856 4.135 45.005 1.00 36.60 ? 169 HOH D O 1 +HETATM 4752 O O . HOH N 5 . ? 1.932 -2.877 37.452 1.00 34.43 ? 170 HOH D O 1 +HETATM 4753 O O . HOH N 5 . ? 10.577 1.360 32.224 1.00 35.73 ? 171 HOH D O 1 +HETATM 4754 O O . HOH N 5 . ? 14.306 0.292 22.332 1.00 32.39 ? 172 HOH D O 1 +HETATM 4755 O O . HOH N 5 . ? -0.157 8.668 37.948 1.00 35.44 ? 173 HOH D O 1 +HETATM 4756 O O . HOH N 5 . ? -10.003 -2.568 25.000 1.00 41.02 ? 174 HOH D O 1 +HETATM 4757 O O . HOH N 5 . ? 0.016 9.621 16.373 1.00 37.14 ? 175 HOH D O 1 +HETATM 4758 O O . HOH N 5 . ? -9.704 -0.129 23.261 1.00 34.89 ? 176 HOH D O 1 +HETATM 4759 O O . HOH N 5 . ? 11.139 3.698 21.463 1.00 35.94 ? 177 HOH D O 1 +HETATM 4760 O O . HOH N 5 . ? -15.230 6.969 50.970 1.00 38.01 ? 178 HOH D O 1 +HETATM 4761 O O . HOH N 5 . ? 11.302 8.473 33.609 1.00 38.51 ? 179 HOH D O 1 +HETATM 4762 O O . HOH N 5 . ? -21.938 1.645 40.956 1.00 36.37 ? 180 HOH D O 1 +HETATM 4763 O O . HOH N 5 . ? 2.996 21.345 21.800 1.00 34.05 ? 181 HOH D O 1 +HETATM 4764 O O . HOH N 5 . ? -14.402 16.687 25.951 1.00 39.14 ? 182 HOH D O 1 +HETATM 4765 O O . HOH N 5 . ? -0.902 24.449 29.458 1.00 38.30 ? 183 HOH D O 1 +HETATM 4766 O O . HOH N 5 . ? 2.391 9.196 16.953 1.00 36.68 ? 184 HOH D O 1 +HETATM 4767 O O . HOH N 5 . ? 3.776 4.597 38.067 1.00 37.10 ? 185 HOH D O 1 +HETATM 4768 O O . HOH N 5 . ? -14.891 10.992 17.341 1.00 37.97 ? 186 HOH D O 1 +HETATM 4769 O O . HOH N 5 . ? -1.920 5.319 34.309 1.00 38.85 ? 187 HOH D O 1 +HETATM 4770 O O . HOH N 5 . ? 1.297 6.235 43.512 1.00 43.37 ? 188 HOH D O 1 +HETATM 4771 O O . HOH N 5 . ? -18.247 7.731 47.729 1.00 43.46 ? 189 HOH D O 1 +HETATM 4772 O O . HOH N 5 . ? -5.249 16.239 10.190 1.00 41.77 ? 190 HOH D O 1 +HETATM 4773 O O . HOH N 5 . ? -23.507 10.102 43.004 1.00 43.68 ? 191 HOH D O 1 +HETATM 4774 O O . HOH N 5 . ? -19.966 5.347 44.610 1.00 45.36 ? 192 HOH D O 1 +HETATM 4775 O O . HOH N 5 . ? 7.704 3.548 14.354 1.00 41.53 ? 193 HOH D O 1 +HETATM 4776 O O . HOH N 5 . ? -12.629 5.336 19.151 1.00 36.25 ? 194 HOH D O 1 +HETATM 4777 O O . HOH N 5 . ? -2.420 24.373 26.217 1.00 39.70 ? 195 HOH D O 1 +HETATM 4778 O O . HOH N 5 . ? -15.654 13.836 26.085 1.00 37.79 ? 196 HOH D O 1 +HETATM 4779 O O . HOH N 5 . ? 7.112 9.399 19.049 1.00 45.10 ? 197 HOH D O 1 +# diff --git a/tests/protein/test_data/input_pdb_cryst1.pdb b/tests/protein/test_data/input_pdb_cryst1.pdb new file mode 100644 index 000000000..cb16814b7 --- /dev/null +++ b/tests/protein/test_data/input_pdb_cryst1.pdb @@ -0,0 +1,5550 @@ +REMARK 950 RESOL ElectronMicroscopy, 4.30A/0.00% +REMARK 950 CHAIN-TYPE LABEL ORIGINAL +REMARK 950 CHAIN H H H +REMARK 950 CHAIN L L L +REMARK 950 CHAIN A A A +SEQRES 1 L 112 GLU ILE VAL LEU THR GLN SER PRO ALA THR LEU SER LEU +SEQRES 2 L 112 SER PRO GLY GLU ARG ALA THR LEU SER CYS ARG ALA SER +SEQRES 3 L 112 GLN SER VAL SER THR TYR LEU ALA TRP TYR GLN GLN LYS +SEQRES 4 L 112 PHE GLY GLN ALA PRO ARG LEU LEU ILE TYR ASP ALA SER +SEQRES 5 L 112 ASN ARG ALA THR GLY ILE PRO ALA ARG PHE SER GLY SER +SEQRES 6 L 112 GLY SER GLY THR ASP PHE THR LEU THR ILE SER SER LEU +SEQRES 7 L 112 GLU PRO GLU ASP PHE ALA VAL TYR TYR CYS GLN CYS ARG +SEQRES 8 L 112 SER ASN TRP PRO PRO GLY ILE THR PHE GLY GLN GLY THR +SEQRES 9 L 112 ARG LEU GLU ILE LYS ARG THR VAL +SEQRES 1 H 130 GLN VAL GLN LEU VAL GLU SER GLY GLY GLY VAL VAL GLN +SEQRES 2 H 130 PRO GLY ARG SER LEU ARG LEU SER CYS ALA ALA SER GLY +SEQRES 3 H 130 PHE THR PHE SER SER TYR GLY MET HIS TRP VAL ARG GLN +SEQRES 4 H 130 ALA PRO GLY LYS GLY LEU GLU TRP VAL ALA VAL ILE TRP +SEQRES 5 H 130 TYR ASP GLY THR ASN THR TYR TYR ALA ASP SER VAL LYS +SEQRES 6 H 130 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN THR +SEQRES 7 H 130 LEU TYR LEU GLN MET ASN SER LEU ARG ALA GLU ASP THR +SEQRES 8 H 130 ALA VAL TYR TYR CYS ALA ARG ASP LEU ALA TYR ARG ASP +SEQRES 9 H 130 TYR VAL TRP ARG TYR PHE ASP LEU TRP GLY ARG GLY THR +SEQRES 10 H 130 LEU VAL THR VAL SER GLY ALA SER THR LYS GLY PRO SER +SEQRES 1 A 223 ARG VAL GLN PRO THR GLU SER ILE VAL ARG PHE PRO ASN +SEQRES 2 A 223 ILE THR ASN LEU CYS PRO PHE GLY GLU VAL PHE ASN ALA +SEQRES 3 A 223 THR ARG PHE ALA SER VAL TYR ALA TRP ASN ARG LYS ARG +SEQRES 4 A 223 ILE SER ASN CYS VAL ALA ASP TYR SER VAL LEU TYR ASN +SEQRES 5 A 223 SER ALA SER PHE SER THR PHE LYS CYS TYR GLY VAL SER +SEQRES 6 A 223 PRO THR LYS LEU ASN ASP LEU CYS PHE THR ASN VAL TYR +SEQRES 7 A 223 ALA ASP SER PHE VAL ILE ARG GLY ASP GLU VAL ARG GLN +SEQRES 8 A 223 ILE ALA PRO GLY GLN THR GLY LYS ILE ALA ASP TYR ASN +SEQRES 9 A 223 TYR LYS LEU PRO ASP ASP PHE THR GLY CYS VAL ILE ALA +SEQRES 10 A 223 TRP ASN SER ASN ASN LEU ASP SER LYS VAL GLY GLY ASN +SEQRES 11 A 223 TYR ASN TYR LEU TYR ARG LEU PHE ARG LYS SER ASN LEU +SEQRES 12 A 223 LYS PRO PHE GLU ARG ASP ILE SER THR GLU ILE TYR GLN +SEQRES 13 A 223 ALA GLY SER THR PRO CYS ASN GLY VAL GLU GLY PHE ASN +SEQRES 14 A 223 CYS TYR PHE PRO LEU GLN SER TYR GLY PHE GLN PRO THR +SEQRES 15 A 223 ASN GLY VAL GLY TYR GLN PRO TYR ARG VAL VAL VAL LEU +SEQRES 16 A 223 SER PHE GLU LEU LEU HIS ALA PRO ALA THR VAL CYS GLY +SEQRES 17 A 223 PRO LYS LYS SER THR ASN LEU VAL LYS ASN LYS CYS VAL +SEQRES 18 A 223 ASN PHE +SEQRES 1 C 4 NAG BMA MAN MAN +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ATOM 1 N GLU L 1 131.383 104.206 86.789 1.00 95.81 N +ATOM 2 CA GLU L 1 130.065 103.786 87.342 1.00 95.81 C +ATOM 3 C GLU L 1 130.246 103.099 88.685 1.00 95.81 C +ATOM 4 O GLU L 1 131.075 102.199 88.830 1.00 95.81 O +ATOM 5 CB GLU L 1 129.340 102.852 86.372 1.00 95.81 C +ATOM 6 CG GLU L 1 127.849 102.724 86.644 1.00 95.81 C +ATOM 7 CD GLU L 1 127.185 101.665 85.788 1.00 95.81 C +ATOM 8 OE1 GLU L 1 127.903 100.906 85.106 1.00 95.81 O +ATOM 9 OE2 GLU L 1 125.940 101.592 85.796 1.00 95.81 O1- +ATOM 10 H GLU L 1 131.258 104.829 86.167 1.00 95.81 H +ATOM 11 HA GLU L 1 129.511 104.571 87.476 1.00 95.81 H +ATOM 12 HB2 GLU L 1 129.451 103.190 85.470 1.00 95.81 H +ATOM 13 HB3 GLU L 1 129.735 101.968 86.444 1.00 95.81 H +ATOM 14 HG2 GLU L 1 127.716 102.482 87.573 1.00 95.81 H +ATOM 15 HG3 GLU L 1 127.421 103.573 86.457 1.00 95.81 H +ATOM 16 N ILE L 2 129.455 103.527 89.662 1.00 87.89 N +ATOM 17 CA ILE L 2 129.545 103.014 91.022 1.00 87.89 C +ATOM 18 C ILE L 2 128.519 101.898 91.158 1.00 87.89 C +ATOM 19 O ILE L 2 127.328 102.111 90.910 1.00 87.89 O +ATOM 20 CB ILE L 2 129.313 104.128 92.059 1.00 87.89 C +ATOM 21 CG1 ILE L 2 130.389 105.220 91.938 1.00 87.89 C +ATOM 22 CG2 ILE L 2 129.358 103.570 93.480 1.00 87.89 C +ATOM 23 CD1 ILE L 2 130.112 106.286 90.893 1.00 87.89 C +ATOM 24 H ILE L 2 128.845 104.125 89.558 1.00 87.89 H +ATOM 25 HA ILE L 2 130.423 102.647 91.169 1.00 87.89 H +ATOM 26 HB ILE L 2 128.440 104.522 91.907 1.00 87.89 H +ATOM 27 HG12 ILE L 2 130.488 105.680 92.785 1.00 87.89 H +ATOM 28 HG13 ILE L 2 131.230 104.798 91.703 1.00 87.89 H +ATOM 29 HG21 ILE L 2 129.330 104.296 94.121 1.00 87.89 H +ATOM 30 HG22 ILE L 2 128.597 103.000 93.633 1.00 87.89 H +ATOM 31 HG23 ILE L 2 130.178 103.065 93.593 1.00 87.89 H +ATOM 32 HD11 ILE L 2 130.624 107.080 91.115 1.00 87.89 H +ATOM 33 HD12 ILE L 2 130.374 105.960 90.018 1.00 87.89 H +ATOM 34 HD13 ILE L 2 129.166 106.497 90.904 1.00 87.89 H +ATOM 35 N VAL L 3 128.981 100.706 91.534 1.00 84.53 N +ATOM 36 CA VAL L 3 128.118 99.551 91.774 1.00 84.53 C +ATOM 37 C VAL L 3 128.332 99.113 93.214 1.00 84.53 C +ATOM 38 O VAL L 3 129.445 98.733 93.598 1.00 84.53 O +ATOM 39 CB VAL L 3 128.410 98.402 90.799 1.00 84.53 C +ATOM 40 CG1 VAL L 3 127.676 97.141 91.230 1.00 84.53 C +ATOM 41 CG2 VAL L 3 128.015 98.800 89.389 1.00 84.53 C +ATOM 42 H VAL L 3 129.814 100.539 91.664 1.00 84.53 H +ATOM 43 HA VAL L 3 127.186 99.797 91.676 1.00 84.53 H +ATOM 44 HB VAL L 3 129.361 98.215 90.805 1.00 84.53 H +ATOM 45 HG11 VAL L 3 127.551 96.571 90.455 1.00 84.53 H +ATOM 46 HG12 VAL L 3 128.201 96.672 91.898 1.00 84.53 H +ATOM 47 HG13 VAL L 3 126.811 97.387 91.595 1.00 84.53 H +ATOM 48 HG21 VAL L 3 128.236 98.075 88.783 1.00 84.53 H +ATOM 49 HG22 VAL L 3 127.060 98.970 89.367 1.00 84.53 H +ATOM 50 HG23 VAL L 3 128.501 99.600 89.138 1.00 84.53 H +ATOM 51 N LEU L 4 127.265 99.159 94.001 1.00 85.75 N +ATOM 52 CA LEU L 4 127.385 99.070 95.445 1.00 85.75 C +ATOM 53 C LEU L 4 127.571 97.611 95.839 1.00 85.75 C +ATOM 54 O LEU L 4 126.897 96.729 95.298 1.00 85.75 O +ATOM 55 CB LEU L 4 126.139 99.633 96.126 1.00 85.75 C +ATOM 56 CG LEU L 4 126.095 101.162 96.252 1.00 85.75 C +ATOM 57 CD1 LEU L 4 127.199 101.778 97.104 1.00 85.75 C +ATOM 58 CD2 LEU L 4 126.025 101.787 94.873 1.00 85.75 C +ATOM 59 H LEU L 4 126.457 99.242 93.720 1.00 85.75 H +ATOM 60 HA LEU L 4 128.165 99.567 95.737 1.00 85.75 H +ATOM 61 HB2 LEU L 4 125.357 99.349 95.625 1.00 85.75 H +ATOM 62 HB3 LEU L 4 126.093 99.270 97.022 1.00 85.75 H +ATOM 63 HG LEU L 4 125.259 101.394 96.690 1.00 85.75 H +ATOM 64 HD11 LEU L 4 126.866 102.591 97.518 1.00 85.75 H +ATOM 65 HD12 LEU L 4 127.481 101.144 97.767 1.00 85.75 H +ATOM 66 HD13 LEU L 4 127.954 101.989 96.531 1.00 85.75 H +ATOM 67 HD21 LEU L 4 125.672 102.683 94.947 1.00 85.75 H +ATOM 68 HD22 LEU L 4 126.904 101.791 94.474 1.00 85.75 H +ATOM 69 HD23 LEU L 4 125.423 101.257 94.326 1.00 85.75 H +ATOM 70 N THR L 5 128.486 97.349 96.774 1.00 94.39 N +ATOM 71 CA THR L 5 128.739 95.991 97.251 1.00 94.39 C +ATOM 72 C THR L 5 128.400 95.893 98.733 1.00 94.39 C +ATOM 73 O THR L 5 129.053 96.522 99.565 1.00 94.39 O +ATOM 74 CB THR L 5 130.184 95.585 96.971 1.00 94.39 C +ATOM 75 OG1 THR L 5 131.061 96.651 97.338 1.00 94.39 O +ATOM 76 CG2 THR L 5 130.367 95.271 95.493 1.00 94.39 C +ATOM 77 H THR L 5 128.977 97.947 97.149 1.00 94.39 H +ATOM 78 HA THR L 5 128.174 95.354 96.792 1.00 94.39 H +ATOM 79 HB THR L 5 130.403 94.793 97.485 1.00 94.39 H +ATOM 80 HG1 THR L 5 131.847 96.466 97.109 1.00 94.39 H +ATOM 81 HG21 THR L 5 131.277 94.981 95.325 1.00 94.39 H +ATOM 82 HG22 THR L 5 129.757 94.565 95.228 1.00 94.39 H +ATOM 83 HG23 THR L 5 130.183 96.061 94.961 1.00 94.39 H +ATOM 84 N GLN L 6 127.392 95.089 99.057 1.00 95.06 N +ATOM 85 CA GLN L 6 126.815 95.001 100.394 1.00 95.06 C +ATOM 86 C GLN L 6 127.222 93.704 101.072 1.00 95.06 C +ATOM 87 O GLN L 6 127.158 92.636 100.453 1.00 95.06 O +ATOM 88 CB GLN L 6 125.294 95.059 100.339 1.00 95.06 C +ATOM 89 CG GLN L 6 124.730 96.397 100.023 1.00 95.06 C +ATOM 90 CD GLN L 6 123.229 96.366 100.016 1.00 95.06 C +ATOM 91 OE1 GLN L 6 122.614 95.310 100.142 1.00 95.06 O +ATOM 92 NE2 GLN L 6 122.626 97.525 99.905 1.00 95.06 N +ATOM 93 H GLN L 6 127.011 94.561 98.494 1.00 95.06 H +ATOM 94 HA GLN L 6 127.128 95.743 100.935 1.00 95.06 H +ATOM 95 HB2 GLN L 6 124.984 94.440 99.664 1.00 95.06 H +ATOM 96 HB3 GLN L 6 124.945 94.793 101.205 1.00 95.06 H +ATOM 97 HG2 GLN L 6 125.020 97.033 100.697 1.00 95.06 H +ATOM 98 HG3 GLN L 6 125.033 96.675 99.145 1.00 95.06 H +ATOM 99 HE21 GLN L 6 123.094 98.241 99.821 1.00 95.06 H +ATOM 100 HE22 GLN L 6 121.770 97.564 99.893 1.00 95.06 H +ATOM 101 N SER L 7 127.652 93.799 102.325 1.00107.70 N +ATOM 102 CA SER L 7 127.942 92.627 103.133 1.00107.70 C +ATOM 103 C SER L 7 127.431 92.841 104.551 1.00107.70 C +ATOM 104 O SER L 7 127.250 93.984 104.986 1.00107.70 O +ATOM 105 CB SER L 7 129.447 92.329 103.169 1.00107.70 C +ATOM 106 OG SER L 7 130.146 93.335 103.880 1.00107.70 O +ATOM 107 H SER L 7 127.783 94.545 102.734 1.00107.70 H +ATOM 108 HA SER L 7 127.501 91.876 102.718 1.00107.70 H +ATOM 109 HB2 SER L 7 129.588 91.476 103.609 1.00107.70 H +ATOM 110 HB3 SER L 7 129.783 92.293 102.260 1.00107.70 H +ATOM 111 HG SER L 7 130.966 93.153 103.902 1.00107.70 H +ATOM 112 N PRO L 8 127.133 91.752 105.286 1.00115.49 N +ATOM 113 CA PRO L 8 126.936 90.372 104.823 1.00115.49 C +ATOM 114 C PRO L 8 125.626 90.268 104.047 1.00115.49 C +ATOM 115 O PRO L 8 124.774 91.143 104.210 1.00115.49 O +ATOM 116 CB PRO L 8 126.891 89.556 106.119 1.00115.49 C +ATOM 117 CG PRO L 8 127.516 90.426 107.148 1.00115.49 C +ATOM 118 CD PRO L 8 127.180 91.823 106.754 1.00115.49 C +ATOM 119 HA PRO L 8 127.677 90.075 104.272 1.00115.49 H +ATOM 120 HB2 PRO L 8 125.970 89.359 106.349 1.00115.49 H +ATOM 121 HB3 PRO L 8 127.400 88.738 106.006 1.00115.49 H +ATOM 122 HG2 PRO L 8 127.143 90.217 108.019 1.00115.49 H +ATOM 123 HG3 PRO L 8 128.477 90.293 107.147 1.00115.49 H +ATOM 124 HD2 PRO L 8 126.318 92.079 107.109 1.00115.49 H +ATOM 125 HD3 PRO L 8 127.878 92.433 107.040 1.00115.49 H +ATOM 126 N ALA L 9 125.491 89.238 103.204 1.00111.94 N +ATOM 127 CA ALA L 9 124.294 89.082 102.380 1.00111.94 C +ATOM 128 C ALA L 9 123.012 89.118 103.203 1.00111.94 C +ATOM 129 O ALA L 9 121.979 89.595 102.721 1.00111.94 O +ATOM 130 CB ALA L 9 124.373 87.772 101.597 1.00111.94 C +ATOM 131 H ALA L 9 126.078 88.620 103.093 1.00111.94 H +ATOM 132 HA ALA L 9 124.257 89.809 101.740 1.00111.94 H +ATOM 133 HB1 ALA L 9 123.572 87.676 101.058 1.00111.94 H +ATOM 134 HB2 ALA L 9 125.157 87.791 101.026 1.00111.94 H +ATOM 135 HB3 ALA L 9 124.439 87.035 102.225 1.00111.94 H +ATOM 136 N THR L 10 123.055 88.617 104.435 1.00109.64 N +ATOM 137 CA THR L 10 121.912 88.674 105.332 1.00109.64 C +ATOM 138 C THR L 10 122.414 88.667 106.767 1.00109.64 C +ATOM 139 O THR L 10 123.540 88.248 107.050 1.00109.64 O +ATOM 140 CB THR L 10 120.936 87.513 105.109 1.00109.64 C +ATOM 141 OG1 THR L 10 119.805 87.674 105.973 1.00109.64 O +ATOM 142 CG2 THR L 10 121.598 86.169 105.403 1.00109.64 C +ATOM 143 H THR L 10 123.745 88.234 104.776 1.00109.64 H +ATOM 144 HA THR L 10 121.431 89.504 105.187 1.00109.64 H +ATOM 145 HB THR L 10 120.639 87.514 104.186 1.00109.64 H +ATOM 146 HG1 THR L 10 119.447 88.423 105.842 1.00109.64 H +ATOM 147 HG21 THR L 10 121.068 85.455 105.017 1.00109.64 H +ATOM 148 HG22 THR L 10 122.489 86.133 105.024 1.00109.64 H +ATOM 149 HG23 THR L 10 121.657 86.025 106.361 1.00109.64 H +ATOM 150 N LEU L 11 121.560 89.140 107.669 1.00112.53 N +ATOM 151 CA LEU L 11 121.846 89.200 109.095 1.00112.53 C +ATOM 152 C LEU L 11 120.732 88.517 109.864 1.00112.53 C +ATOM 153 O LEU L 11 119.551 88.682 109.547 1.00112.53 O +ATOM 154 CB LEU L 11 121.993 90.640 109.600 1.00112.53 C +ATOM 155 CG LEU L 11 123.325 91.360 109.388 1.00112.53 C +ATOM 156 CD1 LEU L 11 124.472 90.658 110.118 1.00112.53 C +ATOM 157 CD2 LEU L 11 123.637 91.490 107.919 1.00112.53 C +ATOM 158 H LEU L 11 120.780 89.443 107.469 1.00112.53 H +ATOM 159 HA LEU L 11 122.663 88.719 109.287 1.00112.53 H +ATOM 160 HB2 LEU L 11 121.310 91.176 109.168 1.00112.53 H +ATOM 161 HB3 LEU L 11 121.826 90.635 110.556 1.00112.53 H +ATOM 162 HG LEU L 11 123.253 92.256 109.753 1.00112.53 H +ATOM 163 HD11 LEU L 11 125.258 91.226 110.087 1.00112.53 H +ATOM 164 HD12 LEU L 11 124.212 90.510 111.040 1.00112.53 H +ATOM 165 HD13 LEU L 11 124.663 89.809 109.690 1.00112.53 H +ATOM 166 HD21 LEU L 11 124.167 92.287 107.809 1.00112.53 H +ATOM 167 HD22 LEU L 11 124.135 90.713 107.621 1.00112.53 H +ATOM 168 HD23 LEU L 11 122.811 91.571 107.417 1.00112.53 H +ATOM 169 N SER L 12 121.123 87.730 110.860 1.00122.50 N +ATOM 170 CA SER L 12 120.197 87.055 111.754 1.00122.50 C +ATOM 171 C SER L 12 120.687 87.282 113.173 1.00122.50 C +ATOM 172 O SER L 12 121.842 86.975 113.485 1.00122.50 O +ATOM 173 CB SER L 12 120.123 85.558 111.440 1.00122.50 C +ATOM 174 OG SER L 12 119.815 85.332 110.075 1.00122.50 O +ATOM 175 H SER L 12 121.948 87.567 111.042 1.00122.50 H +ATOM 176 HA SER L 12 119.311 87.433 111.666 1.00122.50 H +ATOM 177 HB2 SER L 12 120.981 85.152 111.640 1.00122.50 H +ATOM 178 HB3 SER L 12 119.430 85.157 111.987 1.00122.50 H +ATOM 179 HG SER L 12 119.760 84.507 109.926 1.00122.50 H +ATOM 180 N LEU L 13 119.820 87.819 114.028 1.00122.91 N +ATOM 181 CA LEU L 13 120.237 88.198 115.371 1.00122.91 C +ATOM 182 C LEU L 13 119.000 88.375 116.242 1.00122.91 C +ATOM 183 O LEU L 13 117.886 88.546 115.743 1.00122.91 O +ATOM 184 CB LEU L 13 121.089 89.476 115.335 1.00122.91 C +ATOM 185 CG LEU L 13 121.688 90.021 116.631 1.00122.91 C +ATOM 186 CD1 LEU L 13 122.655 89.023 117.238 1.00122.91 C +ATOM 187 CD2 LEU L 13 122.394 91.331 116.334 1.00122.91 C +ATOM 188 H LEU L 13 118.992 87.970 113.856 1.00122.91 H +ATOM 189 HA LEU L 13 120.786 87.495 115.750 1.00122.91 H +ATOM 190 HB2 LEU L 13 121.836 89.318 114.737 1.00122.91 H +ATOM 191 HB3 LEU L 13 120.539 90.185 114.966 1.00122.91 H +ATOM 192 HG LEU L 13 120.989 90.205 117.272 1.00122.91 H +ATOM 193 HD11 LEU L 13 123.103 89.435 117.994 1.00122.91 H +ATOM 194 HD12 LEU L 13 122.158 88.245 117.535 1.00122.91 H +ATOM 195 HD13 LEU L 13 123.306 88.765 116.567 1.00122.91 H +ATOM 196 HD21 LEU L 13 122.862 91.634 117.126 1.00122.91 H +ATOM 197 HD22 LEU L 13 123.031 91.187 115.617 1.00122.91 H +ATOM 198 HD23 LEU L 13 121.736 91.991 116.063 1.00122.91 H +ATOM 199 N SER L 14 119.217 88.327 117.552 1.00124.70 N +ATOM 200 CA SER L 14 118.172 88.570 118.531 1.00124.70 C +ATOM 201 C SER L 14 118.007 90.071 118.746 1.00124.70 C +ATOM 202 O SER L 14 118.948 90.836 118.527 1.00124.70 O +ATOM 203 CB SER L 14 118.541 87.890 119.846 1.00124.70 C +ATOM 204 OG SER L 14 117.578 88.118 120.857 1.00124.70 O +ATOM 205 H SER L 14 119.981 88.150 117.903 1.00124.70 H +ATOM 206 HA SER L 14 117.348 88.182 118.201 1.00124.70 H +ATOM 207 HB2 SER L 14 118.616 86.935 119.695 1.00124.70 H +ATOM 208 HB3 SER L 14 119.393 88.242 120.147 1.00124.70 H +ATOM 209 HG SER L 14 117.802 87.715 121.560 1.00124.70 H +ATOM 210 N PRO L 15 116.835 90.535 119.177 1.00120.47 N +ATOM 211 CA PRO L 15 116.722 91.958 119.501 1.00120.47 C +ATOM 212 C PRO L 15 117.560 92.315 120.716 1.00120.47 C +ATOM 213 O PRO L 15 117.982 91.458 121.496 1.00120.47 O +ATOM 214 CB PRO L 15 115.227 92.151 119.771 1.00120.47 C +ATOM 215 CG PRO L 15 114.740 90.814 120.155 1.00120.47 C +ATOM 216 CD PRO L 15 115.534 89.856 119.320 1.00120.47 C +ATOM 217 HA PRO L 15 116.994 92.500 118.748 1.00120.47 H +ATOM 218 HB2 PRO L 15 115.105 92.781 120.499 1.00120.47 H +ATOM 219 HB3 PRO L 15 114.785 92.463 118.966 1.00120.47 H +ATOM 220 HG2 PRO L 15 114.909 90.664 121.099 1.00120.47 H +ATOM 221 HG3 PRO L 15 113.793 90.740 119.958 1.00120.47 H +ATOM 222 HD2 PRO L 15 115.614 89.006 119.770 1.00120.47 H +ATOM 223 HD3 PRO L 15 115.116 89.753 118.451 1.00120.47 H +ATOM 224 N GLY L 16 117.808 93.615 120.859 1.00119.22 N +ATOM 225 CA GLY L 16 118.592 94.142 121.948 1.00119.22 C +ATOM 226 C GLY L 16 120.083 94.157 121.687 1.00119.22 C +ATOM 227 O GLY L 16 120.820 94.842 122.405 1.00119.22 O +ATOM 228 H GLY L 16 117.522 94.219 120.317 1.00119.22 H +ATOM 229 HA2 GLY L 16 118.310 95.053 122.126 1.00119.22 H +ATOM 230 HA3 GLY L 16 118.430 93.615 122.746 1.00119.22 H +ATOM 231 N GLU L 17 120.542 93.428 120.671 1.00121.28 N +ATOM 232 CA GLU L 17 121.952 93.289 120.360 1.00121.28 C +ATOM 233 C GLU L 17 122.379 94.368 119.367 1.00121.28 C +ATOM 234 O GLU L 17 121.581 95.203 118.938 1.00121.28 O +ATOM 235 CB GLU L 17 122.222 91.882 119.825 1.00121.28 C +ATOM 236 CG GLU L 17 121.982 90.767 120.835 1.00121.28 C +ATOM 237 CD GLU L 17 123.135 90.606 121.805 1.00121.28 C +ATOM 238 OE1 GLU L 17 124.273 90.377 121.344 1.00121.28 O +ATOM 239 OE2 GLU L 17 122.906 90.710 123.028 1.00121.28 O1- +ATOM 240 H GLU L 17 120.042 92.990 120.127 1.00121.28 H +ATOM 241 HA GLU L 17 122.471 93.405 121.171 1.00121.28 H +ATOM 242 HB2 GLU L 17 121.621 91.723 119.081 1.00121.28 H +ATOM 243 HB3 GLU L 17 123.141 91.811 119.527 1.00121.28 H +ATOM 244 HG2 GLU L 17 121.182 90.958 121.348 1.00121.28 H +ATOM 245 HG3 GLU L 17 121.877 89.929 120.358 1.00121.28 H +ATOM 246 N ARG L 18 123.643 94.312 118.952 1.00118.77 N +ATOM 247 CA ARG L 18 124.240 95.315 118.081 1.00118.77 C +ATOM 248 C ARG L 18 124.318 94.760 116.668 1.00118.77 C +ATOM 249 O ARG L 18 125.018 93.771 116.425 1.00118.77 O +ATOM 250 CB ARG L 18 125.636 95.706 118.563 1.00118.77 C +ATOM 251 CG ARG L 18 126.245 96.868 117.788 1.00118.77 C +ATOM 252 CD ARG L 18 127.372 97.528 118.558 1.00118.77 C +ATOM 253 NE ARG L 18 126.885 98.221 119.745 1.00118.77 N +ATOM 254 CZ ARG L 18 127.643 98.619 120.758 1.00118.77 C +ATOM 255 NH1 ARG L 18 128.953 98.423 120.770 1.00118.77 N1+ +ATOM 256 NH2 ARG L 18 127.072 99.234 121.790 1.00118.77 N +ATOM 257 H ARG L 18 124.189 93.685 119.171 1.00118.77 H +ATOM 258 HA ARG L 18 123.694 96.112 118.075 1.00118.77 H +ATOM 259 HB2 ARG L 18 125.581 95.956 119.498 1.00118.77 H +ATOM 260 HB3 ARG L 18 126.226 94.943 118.463 1.00118.77 H +ATOM 261 HG2 ARG L 18 126.605 96.539 116.950 1.00118.77 H +ATOM 262 HG3 ARG L 18 125.562 97.536 117.620 1.00118.77 H +ATOM 263 HD2 ARG L 18 128.002 96.846 118.838 1.00118.77 H +ATOM 264 HD3 ARG L 18 127.813 98.176 117.986 1.00118.77 H +ATOM 265 HE ARG L 18 126.051 98.427 119.769 1.00118.77 H +ATOM 266 HH11 ARG L 18 129.348 98.028 120.117 1.00118.77 H +ATOM 267 HH12 ARG L 18 129.416 98.694 121.442 1.00118.77 H +ATOM 268 HH21 ARG L 18 126.222 99.367 121.793 1.00118.77 H +ATOM 269 HH22 ARG L 18 127.551 99.498 122.453 1.00118.77 H +ATOM 270 N ALA L 19 123.610 95.401 115.742 1.00117.33 N +ATOM 271 CA ALA L 19 123.580 94.984 114.345 1.00117.33 C +ATOM 272 C ALA L 19 124.389 95.975 113.525 1.00117.33 C +ATOM 273 O ALA L 19 124.061 97.166 113.494 1.00117.33 O +ATOM 274 CB ALA L 19 122.146 94.909 113.827 1.00117.33 C +ATOM 275 H ALA L 19 123.127 96.094 115.903 1.00117.33 H +ATOM 276 HA ALA L 19 123.978 94.107 114.241 1.00117.33 H +ATOM 277 HB1 ALA L 19 122.161 94.642 112.895 1.00117.33 H +ATOM 278 HB2 ALA L 19 121.658 94.256 114.352 1.00117.33 H +ATOM 279 HB3 ALA L 19 121.738 95.783 113.915 1.00117.33 H +ATOM 280 N THR L 20 125.423 95.480 112.847 1.00112.88 N +ATOM 281 CA THR L 20 126.303 96.305 112.031 1.00112.88 C +ATOM 282 C THR L 20 126.297 95.760 110.613 1.00112.88 C +ATOM 283 O THR L 20 126.722 94.623 110.383 1.00112.88 O +ATOM 284 CB THR L 20 127.727 96.308 112.587 1.00112.88 C +ATOM 285 OG1 THR L 20 128.197 94.961 112.707 1.00112.88 O +ATOM 286 CG2 THR L 20 127.765 96.971 113.952 1.00112.88 C +ATOM 287 H THR L 20 125.638 94.647 112.846 1.00112.88 H +ATOM 288 HA THR L 20 125.991 97.216 112.020 1.00112.88 H +ATOM 289 HB THR L 20 128.309 96.805 111.989 1.00112.88 H +ATOM 290 HG1 THR L 20 128.310 94.626 111.945 1.00112.88 H +ATOM 291 HG21 THR L 20 128.680 97.030 114.266 1.00112.88 H +ATOM 292 HG22 THR L 20 127.391 97.862 113.895 1.00112.88 H +ATOM 293 HG23 THR L 20 127.247 96.451 114.587 1.00112.88 H +ATOM 294 N LEU L 21 125.819 96.568 109.672 1.00101.61 N +ATOM 295 CA LEU L 21 125.898 96.256 108.254 1.00101.61 C +ATOM 296 C LEU L 21 127.032 97.024 107.598 1.00101.61 C +ATOM 297 O LEU L 21 127.395 98.119 108.040 1.00101.61 O +ATOM 298 CB LEU L 21 124.573 96.612 107.579 1.00101.61 C +ATOM 299 CG LEU L 21 123.583 95.483 107.327 1.00101.61 C +ATOM 300 CD1 LEU L 21 122.282 96.057 106.832 1.00101.61 C +ATOM 301 CD2 LEU L 21 124.148 94.548 106.270 1.00101.61 C +ATOM 302 H LEU L 21 125.442 97.323 109.838 1.00101.61 H +ATOM 303 HA LEU L 21 126.069 95.313 108.138 1.00101.61 H +ATOM 304 HB2 LEU L 21 124.128 97.273 108.134 1.00101.61 H +ATOM 305 HB3 LEU L 21 124.776 97.012 106.719 1.00101.61 H +ATOM 306 HG LEU L 21 123.424 94.983 108.144 1.00101.61 H +ATOM 307 HD11 LEU L 21 121.613 95.358 106.840 1.00101.61 H +ATOM 308 HD12 LEU L 21 122.007 96.778 107.422 1.00101.61 H +ATOM 309 HD13 LEU L 21 122.408 96.392 105.931 1.00101.61 H +ATOM 310 HD21 LEU L 21 123.477 93.885 106.050 1.00101.61 H +ATOM 311 HD22 LEU L 21 124.377 95.065 105.482 1.00101.61 H +ATOM 312 HD23 LEU L 21 124.941 94.106 106.607 1.00101.61 H +ATOM 313 N SER L 22 127.520 96.485 106.474 1.00104.57 N +ATOM 314 CA SER L 22 128.541 97.124 105.663 1.00104.57 C +ATOM 315 C SER L 22 128.048 97.302 104.236 1.00104.57 C +ATOM 316 O SER L 22 127.426 96.403 103.659 1.00104.57 O +ATOM 317 CB SER L 22 129.825 96.292 105.657 1.00104.57 C +ATOM 318 OG SER L 22 130.671 96.673 104.589 1.00104.57 O +ATOM 319 H SER L 22 127.266 95.725 106.163 1.00104.57 H +ATOM 320 HA SER L 22 128.753 98.001 106.017 1.00104.57 H +ATOM 321 HB2 SER L 22 130.293 96.422 106.497 1.00104.57 H +ATOM 322 HB3 SER L 22 129.589 95.357 105.549 1.00104.57 H +ATOM 323 HG SER L 22 131.359 96.191 104.582 1.00104.57 H +ATOM 324 N CYS L 23 128.392 98.448 103.662 1.00 97.74 N +ATOM 325 CA CYS L 23 128.264 98.747 102.246 1.00 97.74 C +ATOM 326 C CYS L 23 129.611 99.322 101.818 1.00 97.74 C +ATOM 327 O CYS L 23 130.009 100.401 102.283 1.00 97.74 O +ATOM 328 CB CYS L 23 127.111 99.718 101.993 1.00 97.74 C +ATOM 329 SG CYS L 23 126.825 100.094 100.261 1.00 97.74 S +ATOM 330 H CYS L 23 128.722 99.108 104.107 1.00 97.74 H +ATOM 331 HA CYS L 23 128.102 97.928 101.751 1.00 97.74 H +ATOM 332 HB2 CYS L 23 126.295 99.324 102.342 1.00 97.74 H +ATOM 333 HB3 CYS L 23 127.296 100.550 102.456 1.00 97.74 H +ATOM 334 N ARG L 24 130.356 98.544 101.035 1.00 93.51 N +ATOM 335 CA ARG L 24 131.602 98.973 100.408 1.00 93.51 C +ATOM 336 C ARG L 24 131.298 99.356 98.958 1.00 93.51 C +ATOM 337 O ARG L 24 130.934 98.505 98.135 1.00 93.51 O +ATOM 338 CB ARG L 24 132.699 97.907 100.514 1.00 93.51 C +ATOM 339 CG ARG L 24 132.371 96.483 100.067 1.00 93.51 C +ATOM 340 CD ARG L 24 133.190 95.459 100.843 1.00 93.51 C +ATOM 341 NE ARG L 24 134.612 95.784 100.850 1.00 93.51 N +ATOM 342 CZ ARG L 24 135.417 95.705 99.798 1.00 93.51 C +ATOM 343 NH1 ARG L 24 134.989 95.268 98.623 1.00 93.51 N1+ +ATOM 344 NH2 ARG L 24 136.689 96.070 99.927 1.00 93.51 N +ATOM 345 H ARG L 24 130.134 97.739 100.846 1.00 93.51 H +ATOM 346 HA ARG L 24 131.930 99.766 100.859 1.00 93.51 H +ATOM 347 HB2 ARG L 24 133.456 98.203 99.985 1.00 93.51 H +ATOM 348 HB3 ARG L 24 132.967 97.853 101.445 1.00 93.51 H +ATOM 349 HG2 ARG L 24 131.437 96.272 100.185 1.00 93.51 H +ATOM 350 HG3 ARG L 24 132.629 96.393 99.142 1.00 93.51 H +ATOM 351 HD2 ARG L 24 132.881 95.435 101.763 1.00 93.51 H +ATOM 352 HD3 ARG L 24 133.081 94.587 100.432 1.00 93.51 H +ATOM 353 HE ARG L 24 134.961 96.020 101.600 1.00 93.51 H +ATOM 354 HH11 ARG L 24 134.173 95.023 98.510 1.00 93.51 H +ATOM 355 HH12 ARG L 24 135.537 95.227 97.962 1.00 93.51 H +ATOM 356 HH21 ARG L 24 136.980 96.355 100.685 1.00 93.51 H +ATOM 357 HH22 ARG L 24 137.221 96.021 99.253 1.00 93.51 H +ATOM 358 N ALA L 25 131.325 100.658 98.697 1.00 93.69 N +ATOM 359 CA ALA L 25 131.174 101.204 97.358 1.00 93.69 C +ATOM 360 C ALA L 25 132.359 100.837 96.472 1.00 93.69 C +ATOM 361 O ALA L 25 133.475 100.620 96.946 1.00 93.69 O +ATOM 362 CB ALA L 25 131.024 102.722 97.424 1.00 93.69 C +ATOM 363 H ALA L 25 131.433 101.262 99.299 1.00 93.69 H +ATOM 364 HA ALA L 25 130.372 100.839 96.953 1.00 93.69 H +ATOM 365 HB1 ALA L 25 130.919 103.070 96.524 1.00 93.69 H +ATOM 366 HB2 ALA L 25 130.240 102.935 97.954 1.00 93.69 H +ATOM 367 HB3 ALA L 25 131.816 103.101 97.836 1.00 93.69 H +ATOM 368 N SER L 26 132.097 100.743 95.167 1.00 91.62 N +ATOM 369 CA SER L 26 133.133 100.327 94.225 1.00 91.62 C +ATOM 370 C SER L 26 134.276 101.337 94.157 1.00 91.62 C +ATOM 371 O SER L 26 135.445 100.941 94.109 1.00 91.62 O +ATOM 372 CB SER L 26 132.533 100.104 92.841 1.00 91.62 C +ATOM 373 OG SER L 26 132.154 101.328 92.256 1.00 91.62 O +ATOM 374 H SER L 26 131.335 100.914 94.805 1.00 91.62 H +ATOM 375 HA SER L 26 133.506 99.483 94.523 1.00 91.62 H +ATOM 376 HB2 SER L 26 133.193 99.673 92.275 1.00 91.62 H +ATOM 377 HB3 SER L 26 131.749 99.540 92.925 1.00 91.62 H +ATOM 378 HG SER L 26 131.989 101.209 91.441 1.00 91.62 H +ATOM 379 N GLN L 27 133.972 102.638 94.128 1.00 93.96 N +ATOM 380 CA GLN L 27 135.025 103.649 94.105 1.00 93.96 C +ATOM 381 C GLN L 27 134.568 104.912 94.820 1.00 93.96 C +ATOM 382 O GLN L 27 133.370 105.189 94.919 1.00 93.96 O +ATOM 383 CB GLN L 27 135.454 103.990 92.671 1.00 93.96 C +ATOM 384 CG GLN L 27 134.323 104.392 91.735 1.00 93.96 C +ATOM 385 CD GLN L 27 133.900 103.266 90.813 1.00 93.96 C +ATOM 386 OE1 GLN L 27 133.989 102.091 91.167 1.00 93.96 O +ATOM 387 NE2 GLN L 27 133.422 103.622 89.626 1.00 93.96 N +ATOM 388 H GLN L 27 133.172 102.955 94.121 1.00 93.96 H +ATOM 389 HA GLN L 27 135.809 103.320 94.569 1.00 93.96 H +ATOM 390 HB2 GLN L 27 136.073 104.737 92.712 1.00 93.96 H +ATOM 391 HB3 GLN L 27 135.904 103.222 92.291 1.00 93.96 H +ATOM 392 HG2 GLN L 27 133.547 104.651 92.255 1.00 93.96 H +ATOM 393 HG3 GLN L 27 134.617 105.135 91.185 1.00 93.96 H +ATOM 394 HE21 GLN L 27 133.371 104.454 89.414 1.00 93.96 H +ATOM 395 HE22 GLN L 27 133.165 103.020 89.068 1.00 93.96 H +ATOM 396 N SER L 28 135.566 105.660 95.318 1.00 89.12 N +ATOM 397 CA SER L 28 135.377 106.708 96.324 1.00 89.12 C +ATOM 398 C SER L 28 134.225 107.646 95.998 1.00 89.12 C +ATOM 399 O SER L 28 134.037 108.039 94.844 1.00 89.12 O +ATOM 400 CB SER L 28 136.663 107.522 96.466 1.00 89.12 C +ATOM 401 OG SER L 28 136.408 108.755 97.115 1.00 89.12 O +ATOM 402 H SER L 28 136.387 105.567 95.082 1.00 89.12 H +ATOM 403 HA SER L 28 135.194 106.294 97.175 1.00 89.12 H +ATOM 404 HB2 SER L 28 137.302 107.015 96.991 1.00 89.12 H +ATOM 405 HB3 SER L 28 137.025 107.700 95.585 1.00 89.12 H +ATOM 406 HG SER L 28 137.107 109.222 97.131 1.00 89.12 H +ATOM 407 N VAL L 29 133.447 107.996 97.029 1.00 86.19 N +ATOM 408 CA VAL L 29 132.384 108.984 96.882 1.00 86.19 C +ATOM 409 C VAL L 29 132.449 110.071 97.961 1.00 86.19 C +ATOM 410 O VAL L 29 131.479 110.805 98.150 1.00 86.19 O +ATOM 411 CB VAL L 29 131.019 108.261 96.868 1.00 86.19 C +ATOM 412 CG1 VAL L 29 130.715 107.591 98.213 1.00 86.19 C +ATOM 413 CG2 VAL L 29 129.891 109.160 96.388 1.00 86.19 C +ATOM 414 H VAL L 29 133.519 107.673 97.821 1.00 86.19 H +ATOM 415 HA VAL L 29 132.482 109.445 96.036 1.00 86.19 H +ATOM 416 HB VAL L 29 131.080 107.542 96.223 1.00 86.19 H +ATOM 417 HG11 VAL L 29 129.937 107.020 98.104 1.00 86.19 H +ATOM 418 HG12 VAL L 29 131.476 107.055 98.491 1.00 86.19 H +ATOM 419 HG13 VAL L 29 130.527 108.272 98.878 1.00 86.19 H +ATOM 420 HG21 VAL L 29 129.178 108.603 96.042 1.00 86.19 H +ATOM 421 HG22 VAL L 29 129.569 109.675 97.135 1.00 86.19 H +ATOM 422 HG23 VAL L 29 130.219 109.746 95.687 1.00 86.19 H +ATOM 423 N SER L 30 133.567 110.190 98.686 1.00 89.91 N +ATOM 424 CA SER L 30 133.651 111.105 99.831 1.00 89.91 C +ATOM 425 C SER L 30 132.611 110.722 100.880 1.00 89.91 C +ATOM 426 O SER L 30 132.761 109.686 101.532 1.00 89.91 O +ATOM 427 CB SER L 30 133.523 112.586 99.439 1.00 89.91 C +ATOM 428 OG SER L 30 133.567 113.433 100.602 1.00 89.91 O +ATOM 429 H SER L 30 134.300 109.771 98.537 1.00 89.91 H +ATOM 430 HA SER L 30 134.517 110.993 100.253 1.00 89.91 H +ATOM 431 HB2 SER L 30 134.270 112.811 98.856 1.00 89.91 H +ATOM 432 HB3 SER L 30 132.699 112.740 98.970 1.00 89.91 H +ATOM 433 HG SER L 30 133.512 114.238 100.370 1.00 89.91 H +ATOM 434 N THR L 31 131.552 111.525 101.048 1.00 91.65 N +ATOM 435 CA THR L 31 130.696 111.423 102.219 1.00 91.65 C +ATOM 436 C THR L 31 129.257 111.072 101.836 1.00 91.65 C +ATOM 437 O THR L 31 128.361 111.208 102.672 1.00 91.65 O +ATOM 438 CB THR L 31 130.687 112.786 102.952 1.00 91.65 C +ATOM 439 OG1 THR L 31 132.001 113.366 103.021 1.00 91.65 O +ATOM 440 CG2 THR L 31 130.168 112.660 104.387 1.00 91.65 C +ATOM 441 H THR L 31 131.283 112.125 100.497 1.00 91.65 H +ATOM 442 HA THR L 31 131.023 110.754 102.838 1.00 91.65 H +ATOM 443 HB THR L 31 130.087 113.383 102.482 1.00 91.65 H +ATOM 444 HG1 THR L 31 132.511 112.887 103.485 1.00 91.65 H +ATOM 445 HG21 THR L 31 130.766 113.129 104.992 1.00 91.65 H +ATOM 446 HG22 THR L 31 129.289 113.066 104.442 1.00 91.65 H +ATOM 447 HG23 THR L 31 130.102 111.734 104.668 1.00 91.65 H +ATOM 448 N TYR L 32 129.003 110.623 100.600 1.00 89.30 N +ATOM 449 CA TYR L 32 127.642 110.605 100.035 1.00 89.30 C +ATOM 450 C TYR L 32 127.160 109.178 99.812 1.00 89.30 C +ATOM 451 O TYR L 32 127.351 108.596 98.743 1.00 89.30 O +ATOM 452 CB TYR L 32 127.595 111.436 98.778 1.00 89.30 C +ATOM 453 CG TYR L 32 128.343 112.671 99.062 1.00 89.30 C +ATOM 454 CD1 TYR L 32 127.943 113.525 100.069 1.00 89.30 C +ATOM 455 CD2 TYR L 32 129.510 112.926 98.403 1.00 89.30 C +ATOM 456 CE1 TYR L 32 128.672 114.604 100.372 1.00 89.30 C +ATOM 457 CE2 TYR L 32 130.239 113.992 98.692 1.00 89.30 C +ATOM 458 CZ TYR L 32 129.818 114.819 99.676 1.00 89.30 C +ATOM 459 OH TYR L 32 130.584 115.875 99.952 1.00 89.30 O +ATOM 460 H TYR L 32 129.601 110.323 100.059 1.00 89.30 H +ATOM 461 HA TYR L 32 127.015 110.988 100.665 1.00 89.30 H +ATOM 462 HB2 TYR L 32 127.979 110.979 98.021 1.00 89.30 H +ATOM 463 HB3 TYR L 32 126.682 111.701 98.625 1.00 89.30 H +ATOM 464 HD1 TYR L 32 127.161 113.352 100.543 1.00 89.30 H +ATOM 465 HD2 TYR L 32 129.798 112.343 97.738 1.00 89.30 H +ATOM 466 HE1 TYR L 32 128.405 115.187 101.041 1.00 89.30 H +ATOM 467 HE2 TYR L 32 131.028 114.159 98.232 1.00 89.30 H +ATOM 468 HH TYR L 32 130.971 116.129 99.247 1.00 89.30 H +ATOM 469 N LEU L 33 126.532 108.621 100.835 1.00 88.89 N +ATOM 470 CA LEU L 33 125.828 107.363 100.697 1.00 88.89 C +ATOM 471 C LEU L 33 124.729 107.364 101.737 1.00 88.89 C +ATOM 472 O LEU L 33 124.918 107.891 102.837 1.00 88.89 O +ATOM 473 CB LEU L 33 126.779 106.181 100.886 1.00 88.89 C +ATOM 474 CG LEU L 33 126.181 104.776 100.787 1.00 88.89 C +ATOM 475 CD1 LEU L 33 127.211 103.809 100.216 1.00 88.89 C +ATOM 476 CD2 LEU L 33 125.640 104.261 102.133 1.00 88.89 C +ATOM 477 H LEU L 33 126.492 108.960 101.623 1.00 88.89 H +ATOM 478 HA LEU L 33 125.422 107.302 99.818 1.00 88.89 H +ATOM 479 HB2 LEU L 33 127.456 106.250 100.197 1.00 88.89 H +ATOM 480 HB3 LEU L 33 127.213 106.281 101.748 1.00 88.89 H +ATOM 481 HG LEU L 33 125.435 104.805 100.167 1.00 88.89 H +ATOM 482 HD11 LEU L 33 126.806 102.935 100.146 1.00 88.89 H +ATOM 483 HD12 LEU L 33 127.480 104.112 99.335 1.00 88.89 H +ATOM 484 HD13 LEU L 33 127.981 103.773 100.806 1.00 88.89 H +ATOM 485 HD21 LEU L 33 125.865 103.323 102.228 1.00 88.89 H +ATOM 486 HD22 LEU L 33 126.026 104.755 102.872 1.00 88.89 H +ATOM 487 HD23 LEU L 33 124.677 104.370 102.139 1.00 88.89 H +ATOM 488 N ALA L 34 123.590 106.770 101.387 1.00 87.72 N +ATOM 489 CA ALA L 34 122.396 106.872 102.207 1.00 87.72 C +ATOM 490 C ALA L 34 121.758 105.509 102.389 1.00 87.72 C +ATOM 491 O ALA L 34 121.902 104.617 101.549 1.00 87.72 O +ATOM 492 CB ALA L 34 121.383 107.837 101.596 1.00 87.72 C +ATOM 493 H ALA L 34 123.489 106.295 100.678 1.00 87.72 H +ATOM 494 HA ALA L 34 122.638 107.187 103.083 1.00 87.72 H +ATOM 495 HB1 ALA L 34 120.537 107.747 102.063 1.00 87.72 H +ATOM 496 HB2 ALA L 34 121.721 108.740 101.695 1.00 87.72 H +ATOM 497 HB3 ALA L 34 121.268 107.620 100.657 1.00 87.72 H +ATOM 498 N TRP L 35 121.020 105.383 103.488 1.00 89.32 N +ATOM 499 CA TRP L 35 120.473 104.110 103.936 1.00 89.32 C +ATOM 500 C TRP L 35 118.954 104.151 103.879 1.00 89.32 C +ATOM 501 O TRP L 35 118.347 105.158 104.257 1.00 89.32 O +ATOM 502 CB TRP L 35 120.965 103.801 105.344 1.00 89.32 C +ATOM 503 CG TRP L 35 122.419 103.463 105.360 1.00 89.32 C +ATOM 504 CD1 TRP L 35 123.453 104.306 105.631 1.00 89.32 C +ATOM 505 CD2 TRP L 35 123.004 102.191 105.071 1.00 89.32 C +ATOM 506 NE1 TRP L 35 124.646 103.636 105.538 1.00 89.32 N +ATOM 507 CE2 TRP L 35 124.396 102.335 105.195 1.00 89.32 C +ATOM 508 CE3 TRP L 35 122.484 100.944 104.725 1.00 89.32 C +ATOM 509 CZ2 TRP L 35 125.274 101.280 104.988 1.00 89.32 C +ATOM 510 CZ3 TRP L 35 123.356 99.899 104.521 1.00 89.32 C +ATOM 511 CH2 TRP L 35 124.735 100.072 104.651 1.00 89.32 C +ATOM 512 H TRP L 35 120.816 106.042 104.003 1.00 89.32 H +ATOM 513 HA TRP L 35 120.780 103.402 103.356 1.00 89.32 H +ATOM 514 HB2 TRP L 35 120.829 104.580 105.907 1.00 89.32 H +ATOM 515 HB3 TRP L 35 120.473 103.043 105.696 1.00 89.32 H +ATOM 516 HD1 TRP L 35 123.367 105.204 105.848 1.00 89.32 H +ATOM 517 HE1 TRP L 35 125.423 103.978 105.672 1.00 89.32 H +ATOM 518 HE3 TRP L 35 121.566 100.821 104.638 1.00 89.32 H +ATOM 519 HZ2 TRP L 35 126.193 101.392 105.074 1.00 89.32 H +ATOM 520 HZ3 TRP L 35 123.019 99.063 104.290 1.00 89.32 H +ATOM 521 HH2 TRP L 35 125.300 99.347 104.505 1.00 89.32 H +ATOM 522 N TYR L 36 118.357 103.083 103.348 1.00 82.85 N +ATOM 523 CA TYR L 36 116.910 102.952 103.193 1.00 82.85 C +ATOM 524 C TYR L 36 116.391 101.702 103.886 1.00 82.85 C +ATOM 525 O TYR L 36 116.929 100.618 103.673 1.00 82.85 O +ATOM 526 CB TYR L 36 116.551 102.951 101.716 1.00 82.85 C +ATOM 527 CG TYR L 36 116.667 104.337 101.175 1.00 82.85 C +ATOM 528 CD1 TYR L 36 115.627 105.233 101.311 1.00 82.85 C +ATOM 529 CD2 TYR L 36 117.844 104.778 100.605 1.00 82.85 C +ATOM 530 CE1 TYR L 36 115.737 106.508 100.849 1.00 82.85 C +ATOM 531 CE2 TYR L 36 117.963 106.056 100.145 1.00 82.85 C +ATOM 532 CZ TYR L 36 116.909 106.913 100.263 1.00 82.85 C +ATOM 533 OH TYR L 36 117.025 108.191 99.805 1.00 82.85 O +ATOM 534 H TYR L 36 118.788 102.398 103.058 1.00 82.85 H +ATOM 535 HA TYR L 36 116.468 103.712 103.602 1.00 82.85 H +ATOM 536 HB2 TYR L 36 117.166 102.377 101.232 1.00 82.85 H +ATOM 537 HB3 TYR L 36 115.637 102.648 101.601 1.00 82.85 H +ATOM 538 HD1 TYR L 36 114.831 104.955 101.703 1.00 82.85 H +ATOM 539 HD2 TYR L 36 118.561 104.192 100.520 1.00 82.85 H +ATOM 540 HE1 TYR L 36 115.023 107.095 100.932 1.00 82.85 H +ATOM 541 HE2 TYR L 36 118.752 106.342 99.748 1.00 82.85 H +ATOM 542 HH TYR L 36 116.487 108.657 100.237 1.00 82.85 H +ATOM 543 N GLN L 37 115.333 101.850 104.683 1.00 92.62 N +ATOM 544 CA GLN L 37 114.744 100.772 105.476 1.00 92.62 C +ATOM 545 C GLN L 37 113.365 100.476 104.915 1.00 92.62 C +ATOM 546 O GLN L 37 112.490 101.347 104.943 1.00 92.62 O +ATOM 547 CB GLN L 37 114.636 101.166 106.953 1.00 92.62 C +ATOM 548 CG GLN L 37 113.812 100.254 107.871 1.00 92.62 C +ATOM 549 CD GLN L 37 113.614 100.866 109.244 1.00 92.62 C +ATOM 550 OE1 GLN L 37 112.833 101.802 109.411 1.00 92.62 O +ATOM 551 NE2 GLN L 37 114.323 100.342 110.234 1.00 92.62 N +ATOM 552 H GLN L 37 114.923 102.599 104.783 1.00 92.62 H +ATOM 553 HA GLN L 37 115.285 99.970 105.410 1.00 92.62 H +ATOM 554 HB2 GLN L 37 115.522 101.213 107.331 1.00 92.62 H +ATOM 555 HB3 GLN L 37 114.214 102.036 106.998 1.00 92.62 H +ATOM 556 HG2 GLN L 37 112.922 100.103 107.523 1.00 92.62 H +ATOM 557 HG3 GLN L 37 114.274 99.408 107.979 1.00 92.62 H +ATOM 558 HE21 GLN L 37 114.859 99.690 110.081 1.00 92.62 H +ATOM 559 HE22 GLN L 37 114.245 100.656 111.031 1.00 92.62 H +ATOM 560 N GLN L 38 113.168 99.257 104.411 1.00 84.15 N +ATOM 561 CA GLN L 38 111.876 98.841 103.868 1.00 84.15 C +ATOM 562 C GLN L 38 111.394 97.598 104.601 1.00 84.15 C +ATOM 563 O GLN L 38 112.017 96.534 104.511 1.00 84.15 O +ATOM 564 CB GLN L 38 111.947 98.585 102.366 1.00 84.15 C +ATOM 565 CG GLN L 38 110.595 98.740 101.697 1.00 84.15 C +ATOM 566 CD GLN L 38 110.562 98.207 100.283 1.00 84.15 C +ATOM 567 OE1 GLN L 38 111.347 97.338 99.912 1.00 84.15 O +ATOM 568 NE2 GLN L 38 109.639 98.724 99.483 1.00 84.15 N +ATOM 569 H GLN L 38 113.774 98.648 104.371 1.00 84.15 H +ATOM 570 HA GLN L 38 111.209 99.529 104.010 1.00 84.15 H +ATOM 571 HB2 GLN L 38 112.561 99.217 101.962 1.00 84.15 H +ATOM 572 HB3 GLN L 38 112.252 97.679 102.215 1.00 84.15 H +ATOM 573 HG2 GLN L 38 109.937 98.247 102.211 1.00 84.15 H +ATOM 574 HG3 GLN L 38 110.356 99.679 101.678 1.00 84.15 H +ATOM 575 HE21 GLN L 38 109.105 99.329 99.779 1.00 84.15 H +ATOM 576 HE22 GLN L 38 109.575 98.456 98.670 1.00 84.15 H +ATOM 577 N LYS L 39 110.308 97.748 105.354 1.00 94.08 N +ATOM 578 CA LYS L 39 109.539 96.601 105.804 1.00 94.08 C +ATOM 579 C LYS L 39 108.762 96.016 104.629 1.00 94.08 C +ATOM 580 O LYS L 39 108.498 96.691 103.631 1.00 94.08 O +ATOM 581 CB LYS L 39 108.568 96.996 106.913 1.00 94.08 C +ATOM 582 CG LYS L 39 109.211 97.505 108.185 1.00 94.08 C +ATOM 583 CD LYS L 39 108.134 97.893 109.184 1.00 94.08 C +ATOM 584 CE LYS L 39 108.710 98.333 110.511 1.00 94.08 C +ATOM 585 NZ LYS L 39 109.471 99.606 110.402 1.00 94.08 N1+ +ATOM 586 H LYS L 39 109.997 98.507 105.617 1.00 94.08 H +ATOM 587 HA LYS L 39 110.139 95.921 106.146 1.00 94.08 H +ATOM 588 HB2 LYS L 39 107.992 97.700 106.585 1.00 94.08 H +ATOM 589 HB3 LYS L 39 108.034 96.221 107.146 1.00 94.08 H +ATOM 590 HG2 LYS L 39 109.759 96.806 108.575 1.00 94.08 H +ATOM 591 HG3 LYS L 39 109.748 98.289 107.987 1.00 94.08 H +ATOM 592 HD2 LYS L 39 107.627 98.635 108.822 1.00 94.08 H +ATOM 593 HD3 LYS L 39 107.552 97.133 109.340 1.00 94.08 H +ATOM 594 HE2 LYS L 39 107.983 98.471 111.139 1.00 94.08 H +ATOM 595 HE3 LYS L 39 109.305 97.642 110.839 1.00 94.08 H +ATOM 596 HZ1 LYS L 39 110.345 99.439 110.406 1.00 94.08 H +ATOM 597 HZ2 LYS L 39 109.260 100.023 109.645 1.00 94.08 H +ATOM 598 HZ3 LYS L 39 109.276 100.136 111.090 1.00 94.08 H +ATOM 599 N PHE L 40 108.409 94.738 104.751 1.00 90.91 N +ATOM 600 CA PHE L 40 107.771 94.013 103.658 1.00 90.91 C +ATOM 601 C PHE L 40 106.468 94.689 103.245 1.00 90.91 C +ATOM 602 O PHE L 40 105.510 94.740 104.022 1.00 90.91 O +ATOM 603 CB PHE L 40 107.521 92.560 104.088 1.00 90.91 C +ATOM 604 CG PHE L 40 107.004 91.642 102.994 1.00 90.91 C +ATOM 605 CD1 PHE L 40 107.135 91.945 101.644 1.00 90.91 C +ATOM 606 CD2 PHE L 40 106.379 90.458 103.340 1.00 90.91 C +ATOM 607 CE1 PHE L 40 106.653 91.088 100.677 1.00 90.91 C +ATOM 608 CE2 PHE L 40 105.897 89.601 102.375 1.00 90.91 C +ATOM 609 CZ PHE L 40 106.035 89.917 101.043 1.00 90.91 C +ATOM 610 H PHE L 40 108.528 94.267 105.461 1.00 90.91 H +ATOM 611 HA PHE L 40 108.386 94.037 102.909 1.00 90.91 H +ATOM 612 HB2 PHE L 40 108.355 92.186 104.413 1.00 90.91 H +ATOM 613 HB3 PHE L 40 106.865 92.559 104.803 1.00 90.91 H +ATOM 614 HD1 PHE L 40 107.551 92.733 101.383 1.00 90.91 H +ATOM 615 HD2 PHE L 40 106.281 90.238 104.238 1.00 90.91 H +ATOM 616 HE1 PHE L 40 106.747 91.303 99.777 1.00 90.91 H +ATOM 617 HE2 PHE L 40 105.479 88.809 102.624 1.00 90.91 H +ATOM 618 HZ PHE L 40 105.710 89.338 100.391 1.00 90.91 H +ATOM 619 N GLY L 41 106.432 95.209 102.018 1.00 84.17 N +ATOM 620 CA GLY L 41 105.256 95.842 101.467 1.00 84.17 C +ATOM 621 C GLY L 41 105.115 97.316 101.786 1.00 84.17 C +ATOM 622 O GLY L 41 104.382 98.021 101.084 1.00 84.17 O +ATOM 623 H GLY L 41 107.100 95.202 101.478 1.00 84.17 H +ATOM 624 HA2 GLY L 41 105.271 95.746 100.502 1.00 84.17 H +ATOM 625 HA3 GLY L 41 104.466 95.387 101.800 1.00 84.17 H +ATOM 626 N GLN L 42 105.806 97.804 102.810 1.00 90.45 N +ATOM 627 CA GLN L 42 105.660 99.180 103.262 1.00 90.45 C +ATOM 628 C GLN L 42 106.411 100.111 102.309 1.00 90.45 C +ATOM 629 O GLN L 42 106.935 99.693 101.273 1.00 90.45 O +ATOM 630 CB GLN L 42 106.128 99.299 104.714 1.00 90.45 C +ATOM 631 CG GLN L 42 105.042 98.989 105.737 1.00 90.45 C +ATOM 632 CD GLN L 42 105.392 99.469 107.132 1.00 90.45 C +ATOM 633 OE1 GLN L 42 105.929 100.561 107.311 1.00 90.45 O +ATOM 634 NE2 GLN L 42 105.076 98.656 108.131 1.00 90.45 N +ATOM 635 H GLN L 42 106.377 97.349 103.263 1.00 90.45 H +ATOM 636 HA GLN L 42 104.721 99.422 103.225 1.00 90.45 H +ATOM 637 HB2 GLN L 42 106.853 98.675 104.856 1.00 90.45 H +ATOM 638 HB3 GLN L 42 106.442 100.195 104.900 1.00 90.45 H +ATOM 639 HG2 GLN L 42 104.217 99.427 105.475 1.00 90.45 H +ATOM 640 HG3 GLN L 42 104.910 98.029 105.775 1.00 90.45 H +ATOM 641 HE21 GLN L 42 104.699 97.900 107.969 1.00 90.45 H +ATOM 642 HE22 GLN L 42 105.253 98.883 108.942 1.00 90.45 H +ATOM 643 N ALA L 43 106.457 101.400 102.654 1.00 86.09 N +ATOM 644 CA ALA L 43 107.098 102.418 101.840 1.00 86.09 C +ATOM 645 C ALA L 43 108.508 102.661 102.361 1.00 86.09 C +ATOM 646 O ALA L 43 108.648 102.959 103.557 1.00 86.09 O +ATOM 647 CB ALA L 43 106.296 103.712 101.880 1.00 86.09 C +ATOM 648 H ALA L 43 106.109 101.713 103.375 1.00 86.09 H +ATOM 649 HA ALA L 43 107.088 102.119 100.926 1.00 86.09 H +ATOM 650 HB1 ALA L 43 106.741 104.376 101.329 1.00 86.09 H +ATOM 651 HB2 ALA L 43 105.405 103.542 101.538 1.00 86.09 H +ATOM 652 HB3 ALA L 43 106.245 104.024 102.797 1.00 86.09 H +ATOM 653 N PRO L 44 109.572 102.521 101.558 1.00 79.28 N +ATOM 654 CA PRO L 44 110.921 102.762 102.092 1.00 79.28 C +ATOM 655 C PRO L 44 111.073 104.190 102.587 1.00 79.28 C +ATOM 656 O PRO L 44 110.533 105.125 101.998 1.00 79.28 O +ATOM 657 CB PRO L 44 111.842 102.496 100.896 1.00 79.28 C +ATOM 658 CG PRO L 44 111.017 101.877 99.863 1.00 79.28 C +ATOM 659 CD PRO L 44 109.612 102.269 100.108 1.00 79.28 C +ATOM 660 HA PRO L 44 111.125 102.141 102.808 1.00 79.28 H +ATOM 661 HB2 PRO L 44 112.207 103.337 100.578 1.00 79.28 H +ATOM 662 HB3 PRO L 44 112.556 101.897 101.165 1.00 79.28 H +ATOM 663 HG2 PRO L 44 111.302 102.206 98.997 1.00 79.28 H +ATOM 664 HG3 PRO L 44 111.121 100.916 99.900 1.00 79.28 H +ATOM 665 HD2 PRO L 44 109.394 103.077 99.616 1.00 79.28 H +ATOM 666 HD3 PRO L 44 109.026 101.535 99.870 1.00 79.28 H +ATOM 667 N ARG L 45 111.785 104.344 103.703 1.00 87.27 N +ATOM 668 CA ARG L 45 112.039 105.649 104.300 1.00 87.27 C +ATOM 669 C ARG L 45 113.533 105.825 104.514 1.00 87.27 C +ATOM 670 O ARG L 45 114.209 104.907 104.988 1.00 87.27 O +ATOM 671 CB ARG L 45 111.295 105.798 105.630 1.00 87.27 C +ATOM 672 CG ARG L 45 111.728 104.807 106.711 1.00 87.27 C +ATOM 673 CD ARG L 45 110.652 104.598 107.774 1.00 87.27 C +ATOM 674 NE ARG L 45 110.670 105.643 108.792 1.00 87.27 N +ATOM 675 CZ ARG L 45 111.471 105.665 109.851 1.00 87.27 C +ATOM 676 NH1 ARG L 45 112.367 104.714 110.070 1.00 87.27 N1+ +ATOM 677 NH2 ARG L 45 111.372 106.671 110.715 1.00 87.27 N +ATOM 678 H ARG L 45 112.138 103.692 104.139 1.00 87.27 H +ATOM 679 HA ARG L 45 111.742 106.359 103.712 1.00 87.27 H +ATOM 680 HB2 ARG L 45 111.452 106.691 105.973 1.00 87.27 H +ATOM 681 HB3 ARG L 45 110.349 105.677 105.457 1.00 87.27 H +ATOM 682 HG2 ARG L 45 111.918 103.946 106.307 1.00 87.27 H +ATOM 683 HG3 ARG L 45 112.521 105.149 107.152 1.00 87.27 H +ATOM 684 HD2 ARG L 45 109.774 104.602 107.363 1.00 87.27 H +ATOM 685 HD3 ARG L 45 110.795 103.741 108.205 1.00 87.27 H +ATOM 686 HE ARG L 45 110.138 106.310 108.684 1.00 87.27 H +ATOM 687 HH11 ARG L 45 112.455 104.053 109.531 1.00 87.27 H +ATOM 688 HH12 ARG L 45 112.870 104.762 110.766 1.00 87.27 H +ATOM 689 HH21 ARG L 45 110.794 107.295 110.584 1.00 87.27 H +ATOM 690 HH22 ARG L 45 111.885 106.698 111.404 1.00 87.27 H +ATOM 691 N LEU L 46 114.040 106.999 104.148 1.00 84.00 N +ATOM 692 CA LEU L 46 115.436 107.340 104.383 1.00 84.00 C +ATOM 693 C LEU L 46 115.755 107.283 105.873 1.00 84.00 C +ATOM 694 O LEU L 46 114.941 107.681 106.711 1.00 84.00 O +ATOM 695 CB LEU L 46 115.718 108.737 103.821 1.00 84.00 C +ATOM 696 CG LEU L 46 117.144 109.295 103.768 1.00 84.00 C +ATOM 697 CD1 LEU L 46 117.252 110.307 102.644 1.00 84.00 C +ATOM 698 CD2 LEU L 46 117.548 109.963 105.060 1.00 84.00 C +ATOM 699 H LEU L 46 113.590 107.619 103.758 1.00 84.00 H +ATOM 700 HA LEU L 46 116.006 106.704 103.923 1.00 84.00 H +ATOM 701 HB2 LEU L 46 115.388 108.748 102.910 1.00 84.00 H +ATOM 702 HB3 LEU L 46 115.196 109.366 104.343 1.00 84.00 H +ATOM 703 HG LEU L 46 117.766 108.572 103.589 1.00 84.00 H +ATOM 704 HD11 LEU L 46 118.122 110.732 102.679 1.00 84.00 H +ATOM 705 HD12 LEU L 46 117.147 109.855 101.799 1.00 84.00 H +ATOM 706 HD13 LEU L 46 116.556 110.973 102.754 1.00 84.00 H +ATOM 707 HD21 LEU L 46 118.423 110.366 104.947 1.00 84.00 H +ATOM 708 HD22 LEU L 46 116.899 110.651 105.275 1.00 84.00 H +ATOM 709 HD23 LEU L 46 117.585 109.314 105.770 1.00 84.00 H +ATOM 710 N LEU L 47 116.947 106.781 106.202 1.00 91.87 N +ATOM 711 CA LEU L 47 117.463 106.771 107.569 1.00 91.87 C +ATOM 712 C LEU L 47 118.635 107.717 107.743 1.00 91.87 C +ATOM 713 O LEU L 47 118.619 108.590 108.616 1.00 91.87 O +ATOM 714 CB LEU L 47 117.941 105.369 107.968 1.00 91.87 C +ATOM 715 CG LEU L 47 116.940 104.229 108.068 1.00 91.87 C +ATOM 716 CD1 LEU L 47 116.627 103.701 106.706 1.00 91.87 C +ATOM 717 CD2 LEU L 47 117.489 103.114 108.939 1.00 91.87 C +ATOM 718 H LEU L 47 117.489 106.430 105.633 1.00 91.87 H +ATOM 719 HA LEU L 47 116.772 107.037 108.191 1.00 91.87 H +ATOM 720 HB2 LEU L 47 118.640 105.101 107.351 1.00 91.87 H +ATOM 721 HB3 LEU L 47 118.338 105.454 108.849 1.00 91.87 H +ATOM 722 HG LEU L 47 116.119 104.554 108.468 1.00 91.87 H +ATOM 723 HD11 LEU L 47 115.669 103.718 106.589 1.00 91.87 H +ATOM 724 HD12 LEU L 47 117.034 104.235 106.026 1.00 91.87 H +ATOM 725 HD13 LEU L 47 116.966 102.797 106.633 1.00 91.87 H +ATOM 726 HD21 LEU L 47 116.844 102.390 108.969 1.00 91.87 H +ATOM 727 HD22 LEU L 47 118.325 102.799 108.560 1.00 91.87 H +ATOM 728 HD23 LEU L 47 117.641 103.459 109.829 1.00 91.87 H +ATOM 729 N ILE L 48 119.639 107.563 106.893 1.00 90.34 N +ATOM 730 CA ILE L 48 120.894 108.290 106.970 1.00 90.34 C +ATOM 731 C ILE L 48 121.171 108.840 105.588 1.00 90.34 C +ATOM 732 O ILE L 48 121.034 108.115 104.597 1.00 90.34 O +ATOM 733 CB ILE L 48 122.061 107.395 107.428 1.00 90.34 C +ATOM 734 CG1 ILE L 48 121.787 106.779 108.805 1.00 90.34 C +ATOM 735 CG2 ILE L 48 123.368 108.180 107.415 1.00 90.34 C +ATOM 736 CD1 ILE L 48 121.599 107.775 109.931 1.00 90.34 C +ATOM 737 H ILE L 48 119.613 107.015 106.230 1.00 90.34 H +ATOM 738 HA ILE L 48 120.814 109.041 107.576 1.00 90.34 H +ATOM 739 HB ILE L 48 122.140 106.671 106.791 1.00 90.34 H +ATOM 740 HG12 ILE L 48 120.983 106.239 108.754 1.00 90.34 H +ATOM 741 HG13 ILE L 48 122.538 106.215 109.042 1.00 90.34 H +ATOM 742 HG21 ILE L 48 123.997 107.755 108.018 1.00 90.34 H +ATOM 743 HG22 ILE L 48 123.729 108.184 106.515 1.00 90.34 H +ATOM 744 HG23 ILE L 48 123.193 109.088 107.708 1.00 90.34 H +ATOM 745 HD11 ILE L 48 121.545 107.288 110.768 1.00 90.34 H +ATOM 746 HD12 ILE L 48 122.347 108.390 109.961 1.00 90.34 H +ATOM 747 HD13 ILE L 48 120.776 108.258 109.784 1.00 90.34 H +ATOM 748 N TYR L 49 121.496 110.123 105.520 1.00 84.18 N +ATOM 749 CA TYR L 49 122.075 110.718 104.331 1.00 84.18 C +ATOM 750 C TYR L 49 123.347 111.423 104.758 1.00 84.18 C +ATOM 751 O TYR L 49 123.490 111.805 105.916 1.00 84.18 O +ATOM 752 CB TYR L 49 121.121 111.700 103.659 1.00 84.18 C +ATOM 753 CG TYR L 49 120.817 112.946 104.460 1.00 84.18 C +ATOM 754 CD1 TYR L 49 120.050 112.890 105.613 1.00 84.18 C +ATOM 755 CD2 TYR L 49 121.275 114.184 104.041 1.00 84.18 C +ATOM 756 CE1 TYR L 49 119.766 114.023 106.335 1.00 84.18 C +ATOM 757 CE2 TYR L 49 120.994 115.325 104.756 1.00 84.18 C +ATOM 758 CZ TYR L 49 120.234 115.240 105.900 1.00 84.18 C +ATOM 759 OH TYR L 49 119.950 116.376 106.622 1.00 84.18 O +ATOM 760 H TYR L 49 121.400 110.674 106.171 1.00 84.18 H +ATOM 761 HA TYR L 49 122.310 110.030 103.690 1.00 84.18 H +ATOM 762 HB2 TYR L 49 121.521 111.979 102.825 1.00 84.18 H +ATOM 763 HB3 TYR L 49 120.281 111.248 103.484 1.00 84.18 H +ATOM 764 HD1 TYR L 49 119.730 112.068 105.908 1.00 84.18 H +ATOM 765 HD2 TYR L 49 121.787 114.245 103.267 1.00 84.18 H +ATOM 766 HE1 TYR L 49 119.253 113.969 107.109 1.00 84.18 H +ATOM 767 HE2 TYR L 49 121.311 116.149 104.466 1.00 84.18 H +ATOM 768 HH TYR L 49 120.281 117.048 106.242 1.00 84.18 H +ATOM 769 N ASP L 50 124.304 111.499 103.837 1.00 89.51 N +ATOM 770 CA ASP L 50 125.666 111.983 104.051 1.00 89.51 C +ATOM 771 C ASP L 50 126.491 110.977 104.855 1.00 89.51 C +ATOM 772 O ASP L 50 127.635 111.276 105.208 1.00 89.51 O +ATOM 773 CB ASP L 50 125.730 113.355 104.745 1.00 89.51 C +ATOM 774 CG ASP L 50 125.213 114.479 103.869 1.00 89.51 C +ATOM 775 OD1 ASP L 50 125.320 114.375 102.629 1.00 89.51 O +ATOM 776 OD2 ASP L 50 124.698 115.472 104.426 1.00 89.51 O1- +ATOM 777 H ASP L 50 124.174 111.258 103.021 1.00 89.51 H +ATOM 778 HA ASP L 50 126.090 112.074 103.184 1.00 89.51 H +ATOM 779 HB2 ASP L 50 125.252 113.366 105.582 1.00 89.51 H +ATOM 780 HB3 ASP L 50 126.663 113.555 104.917 1.00 89.51 H +ATOM 781 N ALA L 51 125.929 109.820 105.201 1.00 92.19 N +ATOM 782 CA ALA L 51 126.566 108.648 105.780 1.00 92.19 C +ATOM 783 C ALA L 51 126.924 108.815 107.249 1.00 92.19 C +ATOM 784 O ALA L 51 127.420 107.852 107.848 1.00 92.19 O +ATOM 785 CB ALA L 51 127.834 108.243 105.017 1.00 92.19 C +ATOM 786 H ALA L 51 125.101 109.646 105.097 1.00 92.19 H +ATOM 787 HA ALA L 51 125.945 107.905 105.718 1.00 92.19 H +ATOM 788 HB1 ALA L 51 128.168 107.409 105.383 1.00 92.19 H +ATOM 789 HB2 ALA L 51 127.614 108.127 104.079 1.00 92.19 H +ATOM 790 HB3 ALA L 51 128.502 108.938 105.115 1.00 92.19 H +ATOM 791 N SER L 52 126.717 109.992 107.859 1.00 96.07 N +ATOM 792 CA SER L 52 126.623 110.056 109.312 1.00 96.07 C +ATOM 793 C SER L 52 125.520 110.969 109.840 1.00 96.07 C +ATOM 794 O SER L 52 125.448 111.163 111.060 1.00 96.07 O +ATOM 795 CB SER L 52 127.965 110.498 109.904 1.00 96.07 C +ATOM 796 OG SER L 52 127.877 110.633 111.311 1.00 96.07 O +ATOM 797 H SER L 52 126.630 110.749 107.462 1.00 96.07 H +ATOM 798 HA SER L 52 126.432 109.170 109.656 1.00 96.07 H +ATOM 799 HB2 SER L 52 128.636 109.830 109.693 1.00 96.07 H +ATOM 800 HB3 SER L 52 128.215 111.350 109.518 1.00 96.07 H +ATOM 801 HG SER L 52 127.666 109.898 111.657 1.00 96.07 H +ATOM 802 N ASN L 53 124.656 111.529 108.993 1.00 95.51 N +ATOM 803 CA ASN L 53 123.626 112.452 109.465 1.00 95.51 C +ATOM 804 C ASN L 53 122.351 111.668 109.736 1.00 95.51 C +ATOM 805 O ASN L 53 121.828 110.992 108.843 1.00 95.51 O +ATOM 806 CB ASN L 53 123.369 113.579 108.468 1.00 95.51 C +ATOM 807 CG ASN L 53 122.468 114.656 109.031 1.00 95.51 C +ATOM 808 OD1 ASN L 53 121.998 114.563 110.163 1.00 95.51 O +ATOM 809 ND2 ASN L 53 122.245 115.703 108.251 1.00 95.51 N +ATOM 810 H ASN L 53 124.644 111.393 108.144 1.00 95.51 H +ATOM 811 HA ASN L 53 123.903 112.868 110.295 1.00 95.51 H +ATOM 812 HB2 ASN L 53 124.209 113.981 108.197 1.00 95.51 H +ATOM 813 HB3 ASN L 53 122.894 113.227 107.710 1.00 95.51 H +ATOM 814 HD21 ASN L 53 122.594 115.736 107.466 1.00 95.51 H +ATOM 815 HD22 ASN L 53 121.741 116.344 108.525 1.00 95.51 H +ATOM 816 N ARG L 54 121.858 111.758 110.963 1.00104.15 N +ATOM 817 CA ARG L 54 120.629 111.085 111.367 1.00104.15 C +ATOM 818 C ARG L 54 119.427 111.908 110.919 1.00104.15 C +ATOM 819 O ARG L 54 119.049 112.884 111.571 1.00104.15 O +ATOM 820 CB ARG L 54 120.623 110.867 112.869 1.00104.15 C +ATOM 821 CG ARG L 54 119.432 110.090 113.347 1.00104.15 C +ATOM 822 CD ARG L 54 119.656 109.527 114.727 1.00104.15 C +ATOM 823 NE ARG L 54 120.491 110.398 115.556 1.00104.15 N +ATOM 824 CZ ARG L 54 121.774 110.209 115.846 1.00104.15 C +ATOM 825 NH1 ARG L 54 122.462 109.183 115.365 1.00104.15 N1+ +ATOM 826 NH2 ARG L 54 122.391 111.083 116.635 1.00104.15 N +ATOM 827 H ARG L 54 122.225 112.212 111.595 1.00104.15 H +ATOM 828 HA ARG L 54 120.579 110.221 110.937 1.00104.15 H +ATOM 829 HB2 ARG L 54 121.424 110.371 113.098 1.00104.15 H +ATOM 830 HB3 ARG L 54 120.624 111.733 113.306 1.00104.15 H +ATOM 831 HG2 ARG L 54 118.657 110.672 113.376 1.00104.15 H +ATOM 832 HG3 ARG L 54 119.279 109.353 112.738 1.00104.15 H +ATOM 833 HD2 ARG L 54 118.790 109.469 115.161 1.00104.15 H +ATOM 834 HD3 ARG L 54 120.032 108.639 114.660 1.00104.15 H +ATOM 835 HE ARG L 54 120.117 111.100 115.881 1.00104.15 H +ATOM 836 HH11 ARG L 54 122.099 108.602 114.851 1.00104.15 H +ATOM 837 HH12 ARG L 54 123.292 109.099 115.574 1.00104.15 H +ATOM 838 HH21 ARG L 54 121.959 111.755 116.954 1.00104.15 H +ATOM 839 HH22 ARG L 54 123.222 110.976 116.829 1.00104.15 H +ATOM 840 N ALA L 55 118.830 111.512 109.797 1.00 91.24 N +ATOM 841 CA ALA L 55 117.699 112.226 109.222 1.00 91.24 C +ATOM 842 C ALA L 55 116.547 112.338 110.218 1.00 91.24 C +ATOM 843 O ALA L 55 116.469 111.614 111.210 1.00 91.24 O +ATOM 844 CB ALA L 55 117.219 111.528 107.954 1.00 91.24 C +ATOM 845 H ALA L 55 119.068 110.821 109.344 1.00 91.24 H +ATOM 846 HA ALA L 55 117.979 113.123 108.984 1.00 91.24 H +ATOM 847 HB1 ALA L 55 116.441 111.995 107.611 1.00 91.24 H +ATOM 848 HB2 ALA L 55 117.936 111.552 107.303 1.00 91.24 H +ATOM 849 HB3 ALA L 55 116.988 110.609 108.165 1.00 91.24 H +ATOM 850 N THR L 56 115.650 113.282 109.942 1.00 95.45 N +ATOM 851 CA THR L 56 114.528 113.546 110.833 1.00 95.45 C +ATOM 852 C THR L 56 113.595 112.344 110.894 1.00 95.45 C +ATOM 853 O THR L 56 113.511 111.543 109.959 1.00 95.45 O +ATOM 854 CB THR L 56 113.751 114.777 110.367 1.00 95.45 C +ATOM 855 OG1 THR L 56 112.813 115.160 111.381 1.00 95.45 O +ATOM 856 CG2 THR L 56 113.001 114.490 109.062 1.00 95.45 C +ATOM 857 H THR L 56 115.671 113.784 109.244 1.00 95.45 H +ATOM 858 HA THR L 56 114.862 113.718 111.727 1.00 95.45 H +ATOM 859 HB THR L 56 114.369 115.507 110.209 1.00 95.45 H +ATOM 860 HG1 THR L 56 112.366 115.823 111.123 1.00 95.45 H +ATOM 861 HG21 THR L 56 112.852 115.319 108.580 1.00 95.45 H +ATOM 862 HG22 THR L 56 113.517 113.892 108.500 1.00 95.45 H +ATOM 863 HG23 THR L 56 112.143 114.080 109.252 1.00 95.45 H +ATOM 864 N GLY L 57 112.891 112.218 112.017 1.00 96.06 N +ATOM 865 CA GLY L 57 112.082 111.044 112.262 1.00 96.06 C +ATOM 866 C GLY L 57 112.856 109.806 112.644 1.00 96.06 C +ATOM 867 O GLY L 57 112.259 108.726 112.727 1.00 96.06 O +ATOM 868 H GLY L 57 112.870 112.802 112.649 1.00 96.06 H +ATOM 869 HA2 GLY L 57 111.457 111.237 112.978 1.00 96.06 H +ATOM 870 HA3 GLY L 57 111.570 110.841 111.464 1.00 96.06 H +ATOM 871 N ILE L 58 114.161 109.921 112.867 1.00 99.97 N +ATOM 872 CA ILE L 58 115.032 108.799 113.194 1.00 99.97 C +ATOM 873 C ILE L 58 115.431 108.937 114.664 1.00 99.97 C +ATOM 874 O ILE L 58 116.223 109.829 115.002 1.00 99.97 O +ATOM 875 CB ILE L 58 116.269 108.749 112.290 1.00 99.97 C +ATOM 876 CG1 ILE L 58 115.875 108.638 110.808 1.00 99.97 C +ATOM 877 CG2 ILE L 58 117.142 107.568 112.679 1.00 99.97 C +ATOM 878 CD1 ILE L 58 115.073 107.391 110.415 1.00 99.97 C +ATOM 879 H ILE L 58 114.586 110.667 112.837 1.00 99.97 H +ATOM 880 HA ILE L 58 114.567 107.967 113.065 1.00 99.97 H +ATOM 881 HB ILE L 58 116.788 109.551 112.429 1.00 99.97 H +ATOM 882 HG12 ILE L 58 115.345 109.413 110.565 1.00 99.97 H +ATOM 883 HG13 ILE L 58 116.688 108.633 110.279 1.00 99.97 H +ATOM 884 HG21 ILE L 58 117.724 107.346 111.936 1.00 99.97 H +ATOM 885 HG22 ILE L 58 117.675 107.806 113.454 1.00 99.97 H +ATOM 886 HG23 ILE L 58 116.575 106.809 112.888 1.00 99.97 H +ATOM 887 HD11 ILE L 58 114.879 107.437 109.466 1.00 99.97 H +ATOM 888 HD12 ILE L 58 115.594 106.595 110.601 1.00 99.97 H +ATOM 889 HD13 ILE L 58 114.239 107.366 110.906 1.00 99.97 H +ATOM 890 N PRO L 59 114.872 108.128 115.572 1.00105.20 N +ATOM 891 CA PRO L 59 115.419 108.031 116.933 1.00105.20 C +ATOM 892 C PRO L 59 116.936 107.871 116.964 1.00105.20 C +ATOM 893 O PRO L 59 117.549 107.345 116.035 1.00105.20 O +ATOM 894 CB PRO L 59 114.718 106.794 117.507 1.00105.20 C +ATOM 895 CG PRO L 59 113.478 106.605 116.675 1.00105.20 C +ATOM 896 CD PRO L 59 113.505 107.575 115.527 1.00105.20 C +ATOM 897 HA PRO L 59 115.168 108.810 117.453 1.00105.20 H +ATOM 898 HB2 PRO L 59 115.304 106.024 117.428 1.00105.20 H +ATOM 899 HB3 PRO L 59 114.486 106.953 118.435 1.00105.20 H +ATOM 900 HG2 PRO L 59 113.460 105.696 116.339 1.00105.20 H +ATOM 901 HG3 PRO L 59 112.699 106.769 117.228 1.00105.20 H +ATOM 902 HD2 PRO L 59 113.332 107.093 114.705 1.00105.20 H +ATOM 903 HD3 PRO L 59 112.853 108.279 115.668 1.00105.20 H +ATOM 904 N ALA L 60 117.545 108.383 118.038 1.00109.83 N +ATOM 905 CA ALA L 60 118.994 108.536 118.135 1.00109.83 C +ATOM 906 C ALA L 60 119.733 107.203 118.170 1.00109.83 C +ATOM 907 O ALA L 60 120.958 107.186 118.013 1.00109.83 O +ATOM 908 CB ALA L 60 119.346 109.346 119.384 1.00109.83 C +ATOM 909 H ALA L 60 117.126 108.657 118.737 1.00109.83 H +ATOM 910 HA ALA L 60 119.308 109.031 117.380 1.00109.83 H +ATOM 911 HB1 ALA L 60 120.310 109.452 119.430 1.00109.83 H +ATOM 912 HB2 ALA L 60 118.920 110.216 119.325 1.00109.83 H +ATOM 913 HB3 ALA L 60 119.027 108.873 120.168 1.00109.83 H +ATOM 914 N ARG L 61 119.019 106.096 118.367 1.00110.03 N +ATOM 915 CA ARG L 61 119.565 104.745 118.370 1.00110.03 C +ATOM 916 C ARG L 61 120.175 104.311 117.027 1.00110.03 C +ATOM 917 O ARG L 61 120.785 103.238 116.970 1.00110.03 O +ATOM 918 CB ARG L 61 118.428 103.824 118.812 1.00110.03 C +ATOM 919 CG ARG L 61 118.779 102.366 119.020 1.00110.03 C +ATOM 920 CD ARG L 61 118.306 101.486 117.885 1.00110.03 C +ATOM 921 NE ARG L 61 116.864 101.549 117.666 1.00110.03 N +ATOM 922 CZ ARG L 61 116.261 101.290 116.513 1.00110.03 C +ATOM 923 NH1 ARG L 61 116.930 100.846 115.462 1.00110.03 N1+ +ATOM 924 NH2 ARG L 61 114.953 101.495 116.406 1.00110.03 N +ATOM 925 H ARG L 61 118.173 106.097 118.517 1.00110.03 H +ATOM 926 HA ARG L 61 120.265 104.695 119.039 1.00110.03 H +ATOM 927 HB2 ARG L 61 118.091 104.155 119.659 1.00110.03 H +ATOM 928 HB3 ARG L 61 117.730 103.896 118.146 1.00110.03 H +ATOM 929 HG2 ARG L 61 119.741 102.281 119.084 1.00110.03 H +ATOM 930 HG3 ARG L 61 118.362 102.054 119.838 1.00110.03 H +ATOM 931 HD2 ARG L 61 118.756 101.772 117.077 1.00110.03 H +ATOM 932 HD3 ARG L 61 118.526 100.566 118.087 1.00110.03 H +ATOM 933 HE ARG L 61 116.376 101.832 118.315 1.00110.03 H +ATOM 934 HH11 ARG L 61 117.773 100.716 115.498 1.00110.03 H +ATOM 935 HH12 ARG L 61 116.514 100.693 114.728 1.00110.03 H +ATOM 936 HH21 ARG L 61 114.506 101.781 117.083 1.00110.03 H +ATOM 937 HH22 ARG L 61 114.549 101.328 115.666 1.00110.03 H +ATOM 938 N PHE L 62 120.045 105.110 115.962 1.00104.62 N +ATOM 939 CA PHE L 62 120.504 104.775 114.613 1.00104.62 C +ATOM 940 C PHE L 62 121.779 105.559 114.317 1.00104.62 C +ATOM 941 O PHE L 62 121.765 106.794 114.374 1.00104.62 O +ATOM 942 CB PHE L 62 119.470 105.147 113.547 1.00104.62 C +ATOM 943 CG PHE L 62 118.159 104.409 113.630 1.00104.62 C +ATOM 944 CD1 PHE L 62 117.268 104.635 114.663 1.00104.62 C +ATOM 945 CD2 PHE L 62 117.795 103.531 112.628 1.00104.62 C +ATOM 946 CE1 PHE L 62 116.061 103.982 114.709 1.00104.62 C +ATOM 947 CE2 PHE L 62 116.587 102.871 112.670 1.00104.62 C +ATOM 948 CZ PHE L 62 115.717 103.099 113.710 1.00104.62 C +ATOM 949 H PHE L 62 119.666 105.879 115.985 1.00104.62 H +ATOM 950 HA PHE L 62 120.694 103.827 114.545 1.00104.62 H +ATOM 951 HB2 PHE L 62 119.282 106.092 113.634 1.00104.62 H +ATOM 952 HB3 PHE L 62 119.850 104.972 112.672 1.00104.62 H +ATOM 953 HD1 PHE L 62 117.492 105.222 115.339 1.00104.62 H +ATOM 954 HD2 PHE L 62 118.377 103.378 111.920 1.00104.62 H +ATOM 955 HE1 PHE L 62 115.478 104.132 115.418 1.00104.62 H +ATOM 956 HE2 PHE L 62 116.358 102.276 111.994 1.00104.62 H +ATOM 957 HZ PHE L 62 114.904 102.650 113.745 1.00104.62 H +ATOM 958 N SER L 63 122.881 104.859 114.007 1.00106.86 N +ATOM 959 CA SER L 63 124.174 105.506 113.797 1.00106.86 C +ATOM 960 C SER L 63 124.831 104.937 112.549 1.00106.86 C +ATOM 961 O SER L 63 124.660 103.759 112.246 1.00106.86 O +ATOM 962 CB SER L 63 125.094 105.313 115.006 1.00106.86 C +ATOM 963 OG SER L 63 125.769 104.070 114.938 1.00106.86 O +ATOM 964 H SER L 63 122.901 104.005 113.913 1.00106.86 H +ATOM 965 HA SER L 63 124.061 106.458 113.656 1.00106.86 H +ATOM 966 HB2 SER L 63 125.749 106.028 115.019 1.00106.86 H +ATOM 967 HB3 SER L 63 124.560 105.339 115.815 1.00106.86 H +ATOM 968 HG SER L 63 126.282 103.987 115.598 1.00106.86 H +ATOM 969 N GLY L 64 125.496 105.793 111.771 1.00 98.25 N +ATOM 970 CA GLY L 64 126.249 105.330 110.621 1.00 98.25 C +ATOM 971 C GLY L 64 127.575 106.055 110.504 1.00 98.25 C +ATOM 972 O GLY L 64 127.761 107.150 111.040 1.00 98.25 O +ATOM 973 H GLY L 64 125.524 106.644 111.892 1.00 98.25 H +ATOM 974 HA2 GLY L 64 126.433 104.381 110.688 1.00 98.25 H +ATOM 975 HA3 GLY L 64 125.737 105.490 109.813 1.00 98.25 H +ATOM 976 N SER L 65 128.500 105.420 109.782 1.00 96.55 N +ATOM 977 CA SER L 65 129.866 105.915 109.685 1.00 96.55 C +ATOM 978 C SER L 65 130.472 105.501 108.351 1.00 96.55 C +ATOM 979 O SER L 65 130.001 104.564 107.699 1.00 96.55 O +ATOM 980 CB SER L 65 130.724 105.387 110.837 1.00 96.55 C +ATOM 981 OG SER L 65 130.757 103.972 110.825 1.00 96.55 O +ATOM 982 H SER L 65 128.357 104.698 109.338 1.00 96.55 H +ATOM 983 HA SER L 65 129.866 106.884 109.725 1.00 96.55 H +ATOM 984 HB2 SER L 65 131.627 105.726 110.740 1.00 96.55 H +ATOM 985 HB3 SER L 65 130.344 105.688 111.678 1.00 96.55 H +ATOM 986 HG SER L 65 131.251 103.690 111.444 1.00 96.55 H +ATOM 987 N GLY L 66 131.518 106.229 107.948 1.00 93.53 N +ATOM 988 CA GLY L 66 132.336 105.846 106.810 1.00 93.53 C +ATOM 989 C GLY L 66 132.506 106.926 105.760 1.00 93.53 C +ATOM 990 O GLY L 66 131.682 107.840 105.665 1.00 93.53 O +ATOM 991 H GLY L 66 131.772 106.957 108.327 1.00 93.53 H +ATOM 992 HA2 GLY L 66 133.220 105.601 107.128 1.00 93.53 H +ATOM 993 HA3 GLY L 66 131.954 105.074 106.379 1.00 93.53 H +ATOM 994 N SER L 67 133.572 106.836 104.965 1.00 95.30 N +ATOM 995 CA SER L 67 133.708 107.692 103.795 1.00 95.30 C +ATOM 996 C SER L 67 134.721 107.084 102.836 1.00 95.30 C +ATOM 997 O SER L 67 135.633 106.362 103.237 1.00 95.30 O +ATOM 998 CB SER L 67 134.134 109.107 104.201 1.00 95.30 C +ATOM 999 OG SER L 67 135.247 109.072 105.077 1.00 95.30 O +ATOM 1000 H SER L 67 134.225 106.288 105.081 1.00 95.30 H +ATOM 1001 HA SER L 67 132.860 107.761 103.339 1.00 95.30 H +ATOM 1002 HB2 SER L 67 134.392 109.599 103.408 1.00 95.30 H +ATOM 1003 HB3 SER L 67 133.393 109.551 104.642 1.00 95.30 H +ATOM 1004 HG SER L 67 135.490 109.854 105.267 1.00 95.30 H +ATOM 1005 N GLY L 68 134.592 107.460 101.570 1.00 95.37 N +ATOM 1006 CA GLY L 68 135.390 106.890 100.501 1.00 95.37 C +ATOM 1007 C GLY L 68 134.749 105.653 99.901 1.00 95.37 C +ATOM 1008 O GLY L 68 133.805 105.772 99.114 1.00 95.37 O +ATOM 1009 H GLY L 68 134.032 108.055 101.300 1.00 95.37 H +ATOM 1010 HA2 GLY L 68 135.499 107.547 99.796 1.00 95.37 H +ATOM 1011 HA3 GLY L 68 136.270 106.651 100.834 1.00 95.37 H +ATOM 1012 N THR L 69 135.227 104.458 100.280 1.00 96.85 N +ATOM 1013 CA THR L 69 134.603 103.196 99.885 1.00 96.85 C +ATOM 1014 C THR L 69 134.447 102.246 101.068 1.00 96.85 C +ATOM 1015 O THR L 69 134.498 101.025 100.900 1.00 96.85 O +ATOM 1016 CB THR L 69 135.411 102.518 98.781 1.00 96.85 C +ATOM 1017 OG1 THR L 69 136.760 102.323 99.223 1.00 96.85 O +ATOM 1018 CG2 THR L 69 135.418 103.361 97.537 1.00 96.85 C +ATOM 1019 H THR L 69 135.924 104.356 100.773 1.00 96.85 H +ATOM 1020 HA THR L 69 133.714 103.364 99.537 1.00 96.85 H +ATOM 1021 HB THR L 69 135.020 101.660 98.565 1.00 96.85 H +ATOM 1022 HG1 THR L 69 137.211 101.962 98.613 1.00 96.85 H +ATOM 1023 HG21 THR L 69 135.773 102.843 96.801 1.00 96.85 H +ATOM 1024 HG22 THR L 69 134.515 103.642 97.324 1.00 96.85 H +ATOM 1025 HG23 THR L 69 135.973 104.145 97.670 1.00 96.85 H +ATOM 1026 N ASP L 70 134.269 102.786 102.268 1.00 98.84 N +ATOM 1027 CA ASP L 70 133.889 102.018 103.447 1.00 98.84 C +ATOM 1028 C ASP L 70 132.730 102.737 104.119 1.00 98.84 C +ATOM 1029 O ASP L 70 132.837 103.924 104.436 1.00 98.84 O +ATOM 1030 CB ASP L 70 135.066 101.771 104.410 1.00 98.84 C +ATOM 1031 CG ASP L 70 135.724 103.038 104.916 1.00 98.84 C +ATOM 1032 OD1 ASP L 70 135.374 104.135 104.467 1.00 98.84 O +ATOM 1033 OD2 ASP L 70 136.610 102.928 105.789 1.00 98.84 O1- +ATOM 1034 H ASP L 70 134.361 103.624 102.432 1.00 98.84 H +ATOM 1035 HA ASP L 70 133.558 101.149 103.170 1.00 98.84 H +ATOM 1036 HB2 ASP L 70 134.742 101.277 105.179 1.00 98.84 H +ATOM 1037 HB3 ASP L 70 135.742 101.251 103.947 1.00 98.84 H +ATOM 1038 N PHE L 71 131.603 102.050 104.273 1.00 96.10 N +ATOM 1039 CA PHE L 71 130.416 102.685 104.828 1.00 96.10 C +ATOM 1040 C PHE L 71 129.677 101.605 105.583 1.00 96.10 C +ATOM 1041 O PHE L 71 129.503 100.511 105.060 1.00 96.10 O +ATOM 1042 CB PHE L 71 129.492 103.266 103.747 1.00 96.10 C +ATOM 1043 CG PHE L 71 130.098 104.369 102.934 1.00 96.10 C +ATOM 1044 CD1 PHE L 71 130.857 104.088 101.813 1.00 96.10 C +ATOM 1045 CD2 PHE L 71 129.874 105.689 103.269 1.00 96.10 C +ATOM 1046 CE1 PHE L 71 131.402 105.101 101.060 1.00 96.10 C +ATOM 1047 CE2 PHE L 71 130.411 106.705 102.516 1.00 96.10 C +ATOM 1048 CZ PHE L 71 131.178 106.412 101.411 1.00 96.10 C +ATOM 1049 H PHE L 71 131.501 101.221 104.065 1.00 96.10 H +ATOM 1050 HA PHE L 71 130.656 103.387 105.451 1.00 96.10 H +ATOM 1051 HB2 PHE L 71 129.228 102.561 103.139 1.00 96.10 H +ATOM 1052 HB3 PHE L 71 128.704 103.627 104.183 1.00 96.10 H +ATOM 1053 HD1 PHE L 71 131.012 103.202 101.574 1.00 96.10 H +ATOM 1054 HD2 PHE L 71 129.358 105.893 104.015 1.00 96.10 H +ATOM 1055 HE1 PHE L 71 131.917 104.900 100.312 1.00 96.10 H +ATOM 1056 HE2 PHE L 71 130.261 107.591 102.756 1.00 96.10 H +ATOM 1057 HZ PHE L 71 131.544 107.099 100.902 1.00 96.10 H +ATOM 1058 N THR L 72 129.358 101.864 106.843 1.00 99.58 N +ATOM 1059 CA THR L 72 128.665 100.873 107.645 1.00 99.58 C +ATOM 1060 C THR L 72 127.668 101.558 108.558 1.00 99.58 C +ATOM 1061 O THR L 72 127.922 102.644 109.089 1.00 99.58 O +ATOM 1062 CB THR L 72 129.638 100.032 108.486 1.00 99.58 C +ATOM 1063 OG1 THR L 72 128.899 99.061 109.236 1.00 99.58 O +ATOM 1064 CG2 THR L 72 130.441 100.905 109.454 1.00 99.58 C +ATOM 1065 H THR L 72 129.530 102.600 107.253 1.00 99.58 H +ATOM 1066 HA THR L 72 128.164 100.275 107.072 1.00 99.58 H +ATOM 1067 HB THR L 72 130.261 99.578 107.898 1.00 99.58 H +ATOM 1068 HG1 THR L 72 129.424 98.596 109.698 1.00 99.58 H +ATOM 1069 HG21 THR L 72 131.175 100.389 109.820 1.00 99.58 H +ATOM 1070 HG22 THR L 72 130.807 101.679 108.999 1.00 99.58 H +ATOM 1071 HG23 THR L 72 129.880 101.205 110.186 1.00 99.58 H +ATOM 1072 N LEU L 73 126.548 100.878 108.767 1.00 99.25 N +ATOM 1073 CA LEU L 73 125.499 101.351 109.655 1.00 99.25 C +ATOM 1074 C LEU L 73 125.446 100.448 110.874 1.00 99.25 C +ATOM 1075 O LEU L 73 125.592 99.230 110.757 1.00 99.25 O +ATOM 1076 CB LEU L 73 124.144 101.360 108.945 1.00 99.25 C +ATOM 1077 CG LEU L 73 122.970 101.985 109.699 1.00 99.25 C +ATOM 1078 CD1 LEU L 73 123.043 103.499 109.637 1.00 99.25 C +ATOM 1079 CD2 LEU L 73 121.655 101.492 109.124 1.00 99.25 C +ATOM 1080 H LEU L 73 126.369 100.122 108.396 1.00 99.25 H +ATOM 1081 HA LEU L 73 125.686 102.252 109.957 1.00 99.25 H +ATOM 1082 HB2 LEU L 73 124.244 101.851 108.114 1.00 99.25 H +ATOM 1083 HB3 LEU L 73 123.902 100.442 108.746 1.00 99.25 H +ATOM 1084 HG LEU L 73 123.001 101.724 110.632 1.00 99.25 H +ATOM 1085 HD11 LEU L 73 122.431 103.871 110.291 1.00 99.25 H +ATOM 1086 HD12 LEU L 73 123.949 103.784 109.830 1.00 99.25 H +ATOM 1087 HD13 LEU L 73 122.792 103.788 108.745 1.00 99.25 H +ATOM 1088 HD21 LEU L 73 120.925 101.944 109.576 1.00 99.25 H +ATOM 1089 HD22 LEU L 73 121.631 101.691 108.175 1.00 99.25 H +ATOM 1090 HD23 LEU L 73 121.588 100.534 109.263 1.00 99.25 H +ATOM 1091 N THR L 74 125.231 101.051 112.038 1.00112.36 N +ATOM 1092 CA THR L 74 125.098 100.349 113.298 1.00112.36 C +ATOM 1093 C THR L 74 123.765 100.693 113.949 1.00112.36 C +ATOM 1094 O THR L 74 123.310 101.850 113.925 1.00112.36 O +ATOM 1095 CB THR L 74 126.251 100.709 114.249 1.00112.36 C +ATOM 1096 OG1 THR L 74 127.500 100.347 113.649 1.00112.36 O +ATOM 1097 CG2 THR L 74 126.112 99.980 115.580 1.00112.36 C +ATOM 1098 H THR L 74 125.156 101.904 112.120 1.00112.36 H +ATOM 1099 HA THR L 74 125.122 99.393 113.152 1.00112.36 H +ATOM 1100 HB THR L 74 126.240 101.663 114.419 1.00112.36 H +ATOM 1101 HG1 THR L 74 128.133 100.546 114.163 1.00112.36 H +ATOM 1102 HG21 THR L 74 126.972 99.943 116.027 1.00112.36 H +ATOM 1103 HG22 THR L 74 125.481 100.444 116.153 1.00112.36 H +ATOM 1104 HG23 THR L 74 125.798 99.074 115.430 1.00112.36 H +ATOM 1105 N ILE L 75 123.208 99.682 114.614 1.00111.69 N +ATOM 1106 CA ILE L 75 122.000 99.779 115.421 1.00111.69 C +ATOM 1107 C ILE L 75 122.341 99.176 116.776 1.00111.69 C +ATOM 1108 O ILE L 75 122.849 98.050 116.846 1.00111.69 O +ATOM 1109 CB ILE L 75 120.830 98.997 114.781 1.00111.69 C +ATOM 1110 CG1 ILE L 75 120.396 99.531 113.399 1.00111.69 C +ATOM 1111 CG2 ILE L 75 119.658 98.948 115.740 1.00111.69 C +ATOM 1112 CD1 ILE L 75 120.211 101.032 113.269 1.00111.69 C +ATOM 1113 H ILE L 75 123.534 98.886 114.607 1.00111.69 H +ATOM 1114 HA ILE L 75 121.750 100.707 115.547 1.00111.69 H +ATOM 1115 HB ILE L 75 121.132 98.084 114.651 1.00111.69 H +ATOM 1116 HG12 ILE L 75 121.084 99.282 112.762 1.00111.69 H +ATOM 1117 HG13 ILE L 75 119.564 99.111 113.133 1.00111.69 H +ATOM 1118 HG21 ILE L 75 118.827 98.869 115.248 1.00111.69 H +ATOM 1119 HG22 ILE L 75 119.761 98.185 116.330 1.00111.69 H +ATOM 1120 HG23 ILE L 75 119.656 99.767 116.248 1.00111.69 H +ATOM 1121 HD11 ILE L 75 119.853 101.221 112.387 1.00111.69 H +ATOM 1122 HD12 ILE L 75 119.584 101.329 113.945 1.00111.69 H +ATOM 1123 HD13 ILE L 75 121.046 101.486 113.376 1.00111.69 H +ATOM 1124 N SER L 76 122.054 99.924 117.847 1.00115.03 N +ATOM 1125 CA SER L 76 122.396 99.489 119.199 1.00115.03 C +ATOM 1126 C SER L 76 121.464 98.400 119.717 1.00115.03 C +ATOM 1127 O SER L 76 121.918 97.409 120.297 1.00115.03 O +ATOM 1128 CB SER L 76 122.382 100.688 120.150 1.00115.03 C +ATOM 1129 OG SER L 76 122.209 100.270 121.493 1.00115.03 O +ATOM 1130 H SER L 76 121.661 100.688 117.812 1.00115.03 H +ATOM 1131 HA SER L 76 123.296 99.127 119.193 1.00115.03 H +ATOM 1132 HB2 SER L 76 123.226 101.160 120.074 1.00115.03 H +ATOM 1133 HB3 SER L 76 121.651 101.277 119.910 1.00115.03 H +ATOM 1134 HG SER L 76 122.198 100.938 122.002 1.00115.03 H +ATOM 1135 N SER L 77 120.155 98.598 119.557 1.00117.89 N +ATOM 1136 CA SER L 77 119.135 97.740 120.158 1.00117.89 C +ATOM 1137 C SER L 77 117.997 97.560 119.164 1.00117.89 C +ATOM 1138 O SER L 77 117.220 98.494 118.945 1.00117.89 O +ATOM 1139 CB SER L 77 118.623 98.340 121.469 1.00117.89 C +ATOM 1140 OG SER L 77 118.346 99.724 121.326 1.00117.89 O +ATOM 1141 H SER L 77 119.827 99.239 119.093 1.00117.89 H +ATOM 1142 HA SER L 77 119.505 96.864 120.347 1.00117.89 H +ATOM 1143 HB2 SER L 77 117.809 97.882 121.727 1.00117.89 H +ATOM 1144 HB3 SER L 77 119.301 98.221 122.152 1.00117.89 H +ATOM 1145 HG SER L 77 117.781 99.851 120.717 1.00117.89 H +ATOM 1146 N LEU L 78 117.886 96.378 118.567 1.00117.25 N +ATOM 1147 CA LEU L 78 116.834 96.155 117.589 1.00117.25 C +ATOM 1148 C LEU L 78 115.514 95.897 118.303 1.00117.25 C +ATOM 1149 O LEU L 78 115.454 95.136 119.273 1.00117.25 O +ATOM 1150 CB LEU L 78 117.164 94.971 116.678 1.00117.25 C +ATOM 1151 CG LEU L 78 118.569 94.865 116.076 1.00117.25 C +ATOM 1152 CD1 LEU L 78 118.898 93.435 115.618 1.00117.25 C +ATOM 1153 CD2 LEU L 78 118.721 95.862 114.950 1.00117.25 C +ATOM 1154 H LEU L 78 118.395 95.700 118.711 1.00117.25 H +ATOM 1155 HA LEU L 78 116.735 96.943 117.032 1.00117.25 H +ATOM 1156 HB2 LEU L 78 116.990 94.161 117.175 1.00117.25 H +ATOM 1157 HB3 LEU L 78 116.554 95.016 115.926 1.00117.25 H +ATOM 1158 HG LEU L 78 119.226 95.093 116.750 1.00117.25 H +ATOM 1159 HD11 LEU L 78 119.860 93.351 115.528 1.00117.25 H +ATOM 1160 HD12 LEU L 78 118.576 92.795 116.268 1.00117.25 H +ATOM 1161 HD13 LEU L 78 118.473 93.271 114.761 1.00117.25 H +ATOM 1162 HD21 LEU L 78 119.656 96.101 114.877 1.00117.25 H +ATOM 1163 HD22 LEU L 78 118.403 95.481 114.118 1.00117.25 H +ATOM 1164 HD23 LEU L 78 118.196 96.644 115.173 1.00117.25 H +ATOM 1165 N GLU L 79 114.461 96.542 117.823 1.00117.92 N +ATOM 1166 CA GLU L 79 113.088 96.307 118.238 1.00117.92 C +ATOM 1167 C GLU L 79 112.260 96.203 116.965 1.00117.92 C +ATOM 1168 O GLU L 79 112.692 96.675 115.909 1.00117.92 O +ATOM 1169 CB GLU L 79 112.604 97.422 119.185 1.00117.92 C +ATOM 1170 CG GLU L 79 112.303 98.788 118.585 1.00117.92 C +ATOM 1171 CD GLU L 79 113.553 99.590 118.330 1.00117.92 C +ATOM 1172 OE1 GLU L 79 114.646 98.991 118.266 1.00117.92 O +ATOM 1173 OE2 GLU L 79 113.447 100.825 118.187 1.00117.92 O1- +ATOM 1174 H GLU L 79 114.525 97.157 117.225 1.00117.92 H +ATOM 1175 HA GLU L 79 113.029 95.462 118.710 1.00117.92 H +ATOM 1176 HB2 GLU L 79 111.830 97.133 119.683 1.00117.92 H +ATOM 1177 HB3 GLU L 79 113.317 97.569 119.825 1.00117.92 H +ATOM 1178 HG2 GLU L 79 111.795 98.717 117.770 1.00117.92 H +ATOM 1179 HG3 GLU L 79 111.781 99.288 119.233 1.00117.92 H +ATOM 1180 N PRO L 80 111.073 95.580 117.022 1.00117.52 N +ATOM 1181 CA PRO L 80 110.469 95.011 115.797 1.00117.52 C +ATOM 1182 C PRO L 80 110.248 95.990 114.644 1.00117.52 C +ATOM 1183 O PRO L 80 110.026 95.530 113.517 1.00117.52 O +ATOM 1184 CB PRO L 80 109.134 94.437 116.292 1.00117.52 C +ATOM 1185 CG PRO L 80 108.852 95.143 117.545 1.00117.52 C +ATOM 1186 CD PRO L 80 110.173 95.420 118.178 1.00117.52 C +ATOM 1187 HA PRO L 80 111.020 94.279 115.478 1.00117.52 H +ATOM 1188 HB2 PRO L 80 108.441 94.610 115.636 1.00117.52 H +ATOM 1189 HB3 PRO L 80 109.227 93.485 116.449 1.00117.52 H +ATOM 1190 HG2 PRO L 80 108.385 95.970 117.353 1.00117.52 H +ATOM 1191 HG3 PRO L 80 108.314 94.575 118.119 1.00117.52 H +ATOM 1192 HD2 PRO L 80 110.087 96.243 118.675 1.00117.52 H +ATOM 1193 HD3 PRO L 80 110.453 94.681 118.739 1.00117.52 H +ATOM 1194 N GLU L 81 110.309 97.308 114.870 1.00116.44 N +ATOM 1195 CA GLU L 81 110.233 98.257 113.760 1.00116.44 C +ATOM 1196 C GLU L 81 111.425 98.151 112.812 1.00116.44 C +ATOM 1197 O GLU L 81 111.371 98.720 111.717 1.00116.44 O +ATOM 1198 CB GLU L 81 110.136 99.702 114.267 1.00116.44 C +ATOM 1199 CG GLU L 81 111.364 100.220 115.002 1.00116.44 C +ATOM 1200 CD GLU L 81 111.180 101.625 115.535 1.00116.44 C +ATOM 1201 OE1 GLU L 81 110.082 102.192 115.353 1.00116.44 O +ATOM 1202 OE2 GLU L 81 112.139 102.165 116.126 1.00116.44 O1- +ATOM 1203 H GLU L 81 110.393 97.670 115.644 1.00116.44 H +ATOM 1204 HA GLU L 81 109.432 98.070 113.247 1.00116.44 H +ATOM 1205 HB2 GLU L 81 109.981 100.287 113.510 1.00116.44 H +ATOM 1206 HB3 GLU L 81 109.386 99.760 114.881 1.00116.44 H +ATOM 1207 HG2 GLU L 81 111.579 99.633 115.736 1.00116.44 H +ATOM 1208 HG3 GLU L 81 112.108 100.271 114.385 1.00116.44 H +ATOM 1209 N ASP L 82 112.490 97.444 113.201 1.00115.34 N +ATOM 1210 CA ASP L 82 113.762 97.453 112.497 1.00115.34 C +ATOM 1211 C ASP L 82 114.088 96.122 111.844 1.00115.34 C +ATOM 1212 O ASP L 82 115.019 96.065 111.035 1.00115.34 O +ATOM 1213 CB ASP L 82 114.900 97.826 113.456 1.00115.34 C +ATOM 1214 CG ASP L 82 114.575 99.035 114.303 1.00115.34 C +ATOM 1215 OD1 ASP L 82 114.740 100.169 113.808 1.00115.34 O +ATOM 1216 OD2 ASP L 82 114.163 98.860 115.469 1.00115.34 O1- +ATOM 1217 H ASP L 82 112.514 96.939 113.894 1.00115.34 H +ATOM 1218 HA ASP L 82 113.745 98.126 111.800 1.00115.34 H +ATOM 1219 HB2 ASP L 82 115.067 97.081 114.054 1.00115.34 H +ATOM 1220 HB3 ASP L 82 115.698 98.026 112.943 1.00115.34 H +ATOM 1221 N PHE L 83 113.367 95.054 112.174 1.00115.82 N +ATOM 1222 CA PHE L 83 113.570 93.801 111.466 1.00115.82 C +ATOM 1223 C PHE L 83 112.921 93.968 110.101 1.00115.82 C +ATOM 1224 O PHE L 83 111.717 93.752 109.940 1.00115.82 O +ATOM 1225 CB PHE L 83 112.932 92.651 112.252 1.00115.82 C +ATOM 1226 CG PHE L 83 113.608 92.339 113.575 1.00115.82 C +ATOM 1227 CD1 PHE L 83 114.877 92.815 113.889 1.00115.82 C +ATOM 1228 CD2 PHE L 83 112.921 91.623 114.541 1.00115.82 C +ATOM 1229 CE1 PHE L 83 115.458 92.531 115.110 1.00115.82 C +ATOM 1230 CE2 PHE L 83 113.494 91.348 115.769 1.00115.82 C +ATOM 1231 CZ PHE L 83 114.764 91.803 116.053 1.00115.82 C +ATOM 1232 H PHE L 83 112.767 95.024 112.789 1.00115.82 H +ATOM 1233 HA PHE L 83 114.510 93.631 111.306 1.00115.82 H +ATOM 1234 HB2 PHE L 83 112.007 92.880 112.442 1.00115.82 H +ATOM 1235 HB3 PHE L 83 112.963 91.849 111.711 1.00115.82 H +ATOM 1236 HD1 PHE L 83 115.363 93.308 113.266 1.00115.82 H +ATOM 1237 HD2 PHE L 83 112.066 91.311 114.356 1.00115.82 H +ATOM 1238 HE1 PHE L 83 116.313 92.847 115.295 1.00115.82 H +ATOM 1239 HE2 PHE L 83 113.026 90.849 116.400 1.00115.82 H +ATOM 1240 HZ PHE L 83 115.161 91.614 116.874 1.00115.82 H +ATOM 1241 N ALA L 84 113.724 94.358 109.117 1.00 98.81 N +ATOM 1242 CA ALA L 84 113.246 94.712 107.789 1.00 98.81 C +ATOM 1243 C ALA L 84 114.342 94.361 106.790 1.00 98.81 C +ATOM 1244 O ALA L 84 115.292 93.645 107.120 1.00 98.81 O +ATOM 1245 CB ALA L 84 112.853 96.193 107.751 1.00 98.81 C +ATOM 1246 H ALA L 84 114.577 94.425 109.197 1.00 98.81 H +ATOM 1247 HA ALA L 84 112.461 94.184 107.574 1.00 98.81 H +ATOM 1248 HB1 ALA L 84 112.384 96.377 106.927 1.00 98.81 H +ATOM 1249 HB2 ALA L 84 112.271 96.379 108.504 1.00 98.81 H +ATOM 1250 HB3 ALA L 84 113.653 96.737 107.813 1.00 98.81 H +ATOM 1251 N VAL L 85 114.207 94.854 105.557 1.00 94.71 N +ATOM 1252 CA VAL L 85 115.316 94.868 104.614 1.00 94.71 C +ATOM 1253 C VAL L 85 115.920 96.268 104.637 1.00 94.71 C +ATOM 1254 O VAL L 85 115.275 97.245 105.042 1.00 94.71 O +ATOM 1255 CB VAL L 85 114.877 94.423 103.183 1.00 94.71 C +ATOM 1256 CG1 VAL L 85 113.850 95.364 102.542 1.00 94.71 C +ATOM 1257 CG2 VAL L 85 116.072 94.228 102.255 1.00 94.71 C +ATOM 1258 H VAL L 85 113.479 95.186 105.244 1.00 94.71 H +ATOM 1259 HA VAL L 85 116.008 94.252 104.897 1.00 94.71 H +ATOM 1260 HB VAL L 85 114.445 93.558 103.264 1.00 94.71 H +ATOM 1261 HG11 VAL L 85 113.959 95.317 101.579 1.00 94.71 H +ATOM 1262 HG12 VAL L 85 112.963 95.052 102.775 1.00 94.71 H +ATOM 1263 HG13 VAL L 85 113.963 96.280 102.825 1.00 94.71 H +ATOM 1264 HG21 VAL L 85 115.797 93.677 101.504 1.00 94.71 H +ATOM 1265 HG22 VAL L 85 116.371 95.092 101.934 1.00 94.71 H +ATOM 1266 HG23 VAL L 85 116.785 93.787 102.741 1.00 94.71 H +ATOM 1267 N TYR L 86 117.143 96.384 104.120 1.00 95.60 N +ATOM 1268 CA TYR L 86 117.904 97.621 104.189 1.00 95.60 C +ATOM 1269 C TYR L 86 118.789 97.725 102.960 1.00 95.60 C +ATOM 1270 O TYR L 86 119.364 96.730 102.513 1.00 95.60 O +ATOM 1271 CB TYR L 86 118.795 97.692 105.433 1.00 95.60 C +ATOM 1272 CG TYR L 86 118.078 97.828 106.746 1.00 95.60 C +ATOM 1273 CD1 TYR L 86 117.742 99.073 107.244 1.00 95.60 C +ATOM 1274 CD2 TYR L 86 117.759 96.713 107.501 1.00 95.60 C +ATOM 1275 CE1 TYR L 86 117.102 99.204 108.452 1.00 95.60 C +ATOM 1276 CE2 TYR L 86 117.115 96.836 108.709 1.00 95.60 C +ATOM 1277 CZ TYR L 86 116.788 98.085 109.179 1.00 95.60 C +ATOM 1278 OH TYR L 86 116.144 98.220 110.384 1.00 95.60 O +ATOM 1279 H TYR L 86 117.566 95.748 103.729 1.00 95.60 H +ATOM 1280 HA TYR L 86 117.293 98.356 104.210 1.00 95.60 H +ATOM 1281 HB2 TYR L 86 119.318 96.881 105.484 1.00 95.60 H +ATOM 1282 HB3 TYR L 86 119.389 98.454 105.345 1.00 95.60 H +ATOM 1283 HD1 TYR L 86 117.954 99.834 106.754 1.00 95.60 H +ATOM 1284 HD2 TYR L 86 117.980 95.867 107.184 1.00 95.60 H +ATOM 1285 HE1 TYR L 86 116.877 100.048 108.772 1.00 95.60 H +ATOM 1286 HE2 TYR L 86 116.902 96.079 109.205 1.00 95.60 H +ATOM 1287 HH TYR L 86 116.077 97.472 110.757 1.00 95.60 H +ATOM 1288 N TYR L 87 118.898 98.943 102.431 1.00 84.17 N +ATOM 1289 CA TYR L 87 119.653 99.216 101.221 1.00 84.17 C +ATOM 1290 C TYR L 87 120.609 100.370 101.474 1.00 84.17 C +ATOM 1291 O TYR L 87 120.364 101.230 102.322 1.00 84.17 O +ATOM 1292 CB TYR L 87 118.745 99.601 100.043 1.00 84.17 C +ATOM 1293 CG TYR L 87 117.797 98.528 99.559 1.00 84.17 C +ATOM 1294 CD1 TYR L 87 117.904 98.014 98.277 1.00 84.17 C +ATOM 1295 CD2 TYR L 87 116.760 98.075 100.358 1.00 84.17 C +ATOM 1296 CE1 TYR L 87 117.033 97.049 97.822 1.00 84.17 C +ATOM 1297 CE2 TYR L 87 115.887 97.113 99.914 1.00 84.17 C +ATOM 1298 CZ TYR L 87 116.024 96.605 98.645 1.00 84.17 C +ATOM 1299 OH TYR L 87 115.145 95.644 98.199 1.00 84.17 O +ATOM 1300 H TYR L 87 118.531 99.643 102.769 1.00 84.17 H +ATOM 1301 HA TYR L 87 120.172 98.442 100.965 1.00 84.17 H +ATOM 1302 HB2 TYR L 87 118.208 100.364 100.308 1.00 84.17 H +ATOM 1303 HB3 TYR L 87 119.308 99.848 99.293 1.00 84.17 H +ATOM 1304 HD1 TYR L 87 118.588 98.312 97.722 1.00 84.17 H +ATOM 1305 HD2 TYR L 87 116.667 98.414 101.219 1.00 84.17 H +ATOM 1306 HE1 TYR L 87 117.123 96.705 96.963 1.00 84.17 H +ATOM 1307 HE2 TYR L 87 115.204 96.811 100.468 1.00 84.17 H +ATOM 1308 HH TYR L 87 114.589 95.463 98.802 1.00 84.17 H +ATOM 1309 N CYS L 88 121.685 100.391 100.694 1.00 87.33 N +ATOM 1310 CA CYS L 88 122.600 101.516 100.586 1.00 87.33 C +ATOM 1311 C CYS L 88 122.560 102.025 99.154 1.00 87.33 C +ATOM 1312 O CYS L 88 122.550 101.230 98.210 1.00 87.33 O +ATOM 1313 CB CYS L 88 124.026 101.118 100.990 1.00 87.33 C +ATOM 1314 SG CYS L 88 124.824 99.882 99.933 1.00 87.33 S +ATOM 1315 H CYS L 88 121.891 99.757 100.166 1.00 87.33 H +ATOM 1316 HA CYS L 88 122.311 102.228 101.171 1.00 87.33 H +ATOM 1317 HB2 CYS L 88 124.577 101.913 100.964 1.00 87.33 H +ATOM 1318 HB3 CYS L 88 124.006 100.764 101.891 1.00 87.33 H +ATOM 1319 N GLN L 89 122.524 103.347 98.995 1.00 81.87 N +ATOM 1320 CA GLN L 89 122.437 103.950 97.673 1.00 81.87 C +ATOM 1321 C GLN L 89 123.345 105.164 97.603 1.00 81.87 C +ATOM 1322 O GLN L 89 123.653 105.803 98.614 1.00 81.87 O +ATOM 1323 CB GLN L 89 121.002 104.341 97.298 1.00 81.87 C +ATOM 1324 CG GLN L 89 120.473 105.652 97.864 1.00 81.87 C +ATOM 1325 CD GLN L 89 120.771 106.870 97.001 1.00 81.87 C +ATOM 1326 OE1 GLN L 89 121.029 106.756 95.806 1.00 81.87 O +ATOM 1327 NE2 GLN L 89 120.734 108.045 97.613 1.00 81.87 N +ATOM 1328 H GLN L 89 122.554 103.915 99.639 1.00 81.87 H +ATOM 1329 HA GLN L 89 122.752 103.327 97.002 1.00 81.87 H +ATOM 1330 HB2 GLN L 89 120.919 104.359 96.332 1.00 81.87 H +ATOM 1331 HB3 GLN L 89 120.430 103.650 97.656 1.00 81.87 H +ATOM 1332 HG2 GLN L 89 119.511 105.574 97.898 1.00 81.87 H +ATOM 1333 HG3 GLN L 89 120.834 105.800 98.752 1.00 81.87 H +ATOM 1334 HE21 GLN L 89 120.549 108.088 98.452 1.00 81.87 H +ATOM 1335 HE22 GLN L 89 120.895 108.765 97.170 1.00 81.87 H +ATOM 1336 N CYS L 90 123.748 105.482 96.378 1.00 80.41 N +ATOM 1337 CA CYS L 90 124.546 106.671 96.103 1.00 80.41 C +ATOM 1338 C CYS L 90 124.401 106.962 94.616 1.00 80.41 C +ATOM 1339 O CYS L 90 123.587 106.335 93.929 1.00 80.41 O +ATOM 1340 CB CYS L 90 126.006 106.485 96.533 1.00 80.41 C +ATOM 1341 SG CYS L 90 126.859 105.100 95.760 1.00 80.41 S +ATOM 1342 H CYS L 90 123.563 105.020 95.677 1.00 80.41 H +ATOM 1343 HA CYS L 90 124.181 107.421 96.598 1.00 80.41 H +ATOM 1344 HB2 CYS L 90 126.504 107.290 96.328 1.00 80.41 H +ATOM 1345 HB3 CYS L 90 126.024 106.336 97.492 1.00 80.41 H +ATOM 1346 HG CYS L 90 128.015 105.064 96.085 1.00 80.41 H +ATOM 1347 N ARG L 91 125.198 107.898 94.105 1.00 76.24 N +ATOM 1348 CA ARG L 91 124.906 108.534 92.833 1.00 76.24 C +ATOM 1349 C ARG L 91 126.153 108.500 91.960 1.00 76.24 C +ATOM 1350 O ARG L 91 127.261 108.260 92.441 1.00 76.24 O +ATOM 1351 CB ARG L 91 124.428 109.979 93.074 1.00 76.24 C +ATOM 1352 CG ARG L 91 123.693 110.574 91.917 1.00 76.24 C +ATOM 1353 CD ARG L 91 123.255 111.987 92.021 1.00 76.24 C +ATOM 1354 NE ARG L 91 123.413 112.444 90.656 1.00 76.24 N +ATOM 1355 CZ ARG L 91 124.074 113.520 90.271 1.00 76.24 C +ATOM 1356 NH1 ARG L 91 124.171 114.589 91.053 1.00 76.24 N1+ +ATOM 1357 NH2 ARG L 91 124.647 113.517 89.068 1.00 76.24 N +ATOM 1358 H ARG L 91 125.921 108.180 94.474 1.00 76.24 H +ATOM 1359 HA ARG L 91 124.207 108.068 92.361 1.00 76.24 H +ATOM 1360 HB2 ARG L 91 123.818 109.969 93.823 1.00 76.24 H +ATOM 1361 HB3 ARG L 91 125.193 110.542 93.269 1.00 76.24 H +ATOM 1362 HG2 ARG L 91 124.250 110.576 91.136 1.00 76.24 H +ATOM 1363 HG3 ARG L 91 122.900 110.051 91.759 1.00 76.24 H +ATOM 1364 HD2 ARG L 91 122.323 112.044 92.283 1.00 76.24 H +ATOM 1365 HD3 ARG L 91 123.835 112.487 92.616 1.00 76.24 H +ATOM 1366 HE ARG L 91 122.981 112.015 90.049 1.00 76.24 H +ATOM 1367 HH11 ARG L 91 123.817 114.584 91.836 1.00 76.24 H +ATOM 1368 HH12 ARG L 91 124.597 115.284 90.778 1.00 76.24 H +ATOM 1369 HH21 ARG L 91 124.569 112.830 88.556 1.00 76.24 H +ATOM 1370 HH22 ARG L 91 125.054 114.219 88.784 1.00 76.24 H +ATOM 1371 N SER L 92 125.959 108.749 90.665 1.00 81.30 N +ATOM 1372 CA SER L 92 126.992 108.554 89.664 1.00 81.30 C +ATOM 1373 C SER L 92 126.921 109.641 88.600 1.00 81.30 C +ATOM 1374 O SER L 92 125.896 110.323 88.413 1.00 81.30 O +ATOM 1375 CB SER L 92 126.879 107.180 88.995 1.00 81.30 C +ATOM 1376 OG SER L 92 127.540 107.180 87.742 1.00 81.30 O +ATOM 1377 H SER L 92 125.214 108.988 90.320 1.00 81.30 H +ATOM 1378 HA SER L 92 127.865 108.613 90.080 1.00 81.30 H +ATOM 1379 HB2 SER L 92 127.282 106.511 89.568 1.00 81.30 H +ATOM 1380 HB3 SER L 92 125.942 106.974 88.857 1.00 81.30 H +ATOM 1381 HG SER L 92 127.479 106.422 87.386 1.00 81.30 H +ATOM 1382 N ASN L 93 128.060 109.790 87.921 1.00 84.34 N +ATOM 1383 CA ASN L 93 128.286 110.800 86.897 1.00 84.34 C +ATOM 1384 C ASN L 93 128.270 110.249 85.480 1.00 84.34 C +ATOM 1385 O ASN L 93 127.599 110.826 84.622 1.00 84.34 O +ATOM 1386 CB ASN L 93 129.622 111.523 87.145 1.00 84.34 C +ATOM 1387 CG ASN L 93 130.786 110.569 87.338 1.00 84.34 C +ATOM 1388 OD1 ASN L 93 130.597 109.358 87.445 1.00 84.34 O +ATOM 1389 ND2 ASN L 93 131.996 111.110 87.379 1.00 84.34 N +ATOM 1390 H ASN L 93 128.728 109.266 88.042 1.00 84.34 H +ATOM 1391 HA ASN L 93 127.576 111.454 86.955 1.00 84.34 H +ATOM 1392 HB2 ASN L 93 129.822 112.086 86.381 1.00 84.34 H +ATOM 1393 HB3 ASN L 93 129.541 112.062 87.941 1.00 84.34 H +ATOM 1394 HD21 ASN L 93 132.687 110.610 87.487 1.00 84.34 H +ATOM 1395 HD22 ASN L 93 132.090 111.961 87.300 1.00 84.34 H +ATOM 1396 N TRP L 94 129.062 109.213 85.179 1.00 91.46 N +ATOM 1397 CA TRP L 94 129.069 108.597 83.854 1.00 91.46 C +ATOM 1398 C TRP L 94 128.439 107.211 83.893 1.00 91.46 C +ATOM 1399 O TRP L 94 128.973 106.337 84.591 1.00 91.46 O +ATOM 1400 CB TRP L 94 130.501 108.509 83.342 1.00 91.46 C +ATOM 1401 CG TRP L 94 131.201 109.815 83.444 1.00 91.46 C +ATOM 1402 CD1 TRP L 94 132.189 110.147 84.318 1.00 91.46 C +ATOM 1403 CD2 TRP L 94 130.950 110.983 82.656 1.00 91.46 C +ATOM 1404 NE1 TRP L 94 132.575 111.448 84.122 1.00 91.46 N +ATOM 1405 CE2 TRP L 94 131.830 111.984 83.104 1.00 91.46 C +ATOM 1406 CE3 TRP L 94 130.068 111.278 81.612 1.00 91.46 C +ATOM 1407 CZ2 TRP L 94 131.857 113.259 82.545 1.00 91.46 C +ATOM 1408 CZ3 TRP L 94 130.096 112.544 81.057 1.00 91.46 C +ATOM 1409 CH2 TRP L 94 130.985 113.519 81.524 1.00 91.46 C +ATOM 1410 H TRP L 94 129.606 108.843 85.733 1.00 91.46 H +ATOM 1411 HA TRP L 94 128.618 109.164 83.219 1.00 91.46 H +ATOM 1412 HB2 TRP L 94 130.991 107.861 83.871 1.00 91.46 H +ATOM 1413 HB3 TRP L 94 130.492 108.243 82.410 1.00 91.46 H +ATOM 1414 HD1 TRP L 94 132.549 109.575 84.957 1.00 91.46 H +ATOM 1415 HE1 TRP L 94 133.187 111.860 84.562 1.00 91.46 H +ATOM 1416 HE3 TRP L 94 129.475 110.635 81.296 1.00 91.46 H +ATOM 1417 HZ2 TRP L 94 132.447 113.909 82.853 1.00 91.46 H +ATOM 1418 HZ3 TRP L 94 129.515 112.751 80.361 1.00 91.46 H +ATOM 1419 HH2 TRP L 94 130.982 114.362 81.132 1.00 91.46 H +ATOM 1420 N PRO L 95 127.332 106.930 83.178 1.00 82.91 N +ATOM 1421 CA PRO L 95 126.307 107.883 82.743 1.00 82.91 C +ATOM 1422 C PRO L 95 125.635 108.417 84.002 1.00 82.91 C +ATOM 1423 O PRO L 95 125.564 107.634 84.949 1.00 82.91 O +ATOM 1424 CB PRO L 95 125.358 107.033 81.900 1.00 82.91 C +ATOM 1425 CG PRO L 95 125.536 105.653 82.423 1.00 82.91 C +ATOM 1426 CD PRO L 95 126.982 105.549 82.802 1.00 82.91 C +ATOM 1427 HA PRO L 95 126.693 108.577 82.194 1.00 82.91 H +ATOM 1428 HB2 PRO L 95 124.445 107.335 82.027 1.00 82.91 H +ATOM 1429 HB3 PRO L 95 125.613 107.083 80.966 1.00 82.91 H +ATOM 1430 HG2 PRO L 95 124.969 105.524 83.199 1.00 82.91 H +ATOM 1431 HG3 PRO L 95 125.318 105.011 81.729 1.00 82.91 H +ATOM 1432 HD2 PRO L 95 127.090 104.954 83.560 1.00 82.91 H +ATOM 1433 HD3 PRO L 95 127.511 105.260 82.043 1.00 82.91 H +ATOM 1434 N PRO L 95A 125.222 109.687 84.046 1.00 80.06 N +ATOM 1435 CA PRO L 95A 124.663 110.225 85.296 1.00 80.06 C +ATOM 1436 C PRO L 95A 123.504 109.373 85.777 1.00 80.06 C +ATOM 1437 O PRO L 95A 122.619 109.015 84.999 1.00 80.06 O +ATOM 1438 CB PRO L 95A 124.206 111.637 84.912 1.00 80.06 C +ATOM 1439 CG PRO L 95A 124.842 111.928 83.611 1.00 80.06 C +ATOM 1440 CD PRO L 95A 125.047 110.628 82.929 1.00 80.06 C +ATOM 1441 HA PRO L 95A 125.346 110.275 85.981 1.00 80.06 H +ATOM 1442 HB2 PRO L 95A 123.240 111.654 84.830 1.00 80.06 H +ATOM 1443 HB3 PRO L 95A 124.503 112.269 85.586 1.00 80.06 H +ATOM 1444 HG2 PRO L 95A 124.258 112.498 83.087 1.00 80.06 H +ATOM 1445 HG3 PRO L 95A 125.695 112.361 83.759 1.00 80.06 H +ATOM 1446 HD2 PRO L 95A 124.266 110.393 82.404 1.00 80.06 H +ATOM 1447 HD3 PRO L 95A 125.845 110.675 82.381 1.00 80.06 H +ATOM 1448 N GLY L 95B 123.509 109.034 87.058 1.00 79.52 N +ATOM 1449 CA GLY L 95B 122.405 108.242 87.565 1.00 79.52 C +ATOM 1450 C GLY L 95B 122.509 107.989 89.044 1.00 79.52 C +ATOM 1451 O GLY L 95B 123.216 108.695 89.758 1.00 79.52 O +ATOM 1452 H GLY L 95B 124.114 109.240 87.633 1.00 79.52 H +ATOM 1453 HA2 GLY L 95B 121.573 108.710 87.393 1.00 79.52 H +ATOM 1454 HA3 GLY L 95B 122.380 107.388 87.105 1.00 79.52 H +ATOM 1455 N ILE L 96 121.878 106.901 89.476 1.00 74.38 N +ATOM 1456 CA ILE L 96 121.813 106.527 90.884 1.00 74.38 C +ATOM 1457 C ILE L 96 121.867 105.016 90.945 1.00 74.38 C +ATOM 1458 O ILE L 96 121.176 104.335 90.180 1.00 74.38 O +ATOM 1459 CB ILE L 96 120.529 107.031 91.579 1.00 74.38 C +ATOM 1460 CG1 ILE L 96 120.611 108.533 91.855 1.00 74.38 C +ATOM 1461 CG2 ILE L 96 120.278 106.264 92.891 1.00 74.38 C +ATOM 1462 CD1 ILE L 96 119.301 109.178 92.234 1.00 74.38 C +ATOM 1463 H ILE L 96 121.469 106.350 88.958 1.00 74.38 H +ATOM 1464 HA ILE L 96 122.579 106.875 91.355 1.00 74.38 H +ATOM 1465 HB ILE L 96 119.780 106.871 90.985 1.00 74.38 H +ATOM 1466 HG12 ILE L 96 121.228 108.675 92.590 1.00 74.38 H +ATOM 1467 HG13 ILE L 96 120.932 108.987 91.063 1.00 74.38 H +ATOM 1468 HG21 ILE L 96 119.707 106.785 93.473 1.00 74.38 H +ATOM 1469 HG22 ILE L 96 119.832 105.423 92.701 1.00 74.38 H +ATOM 1470 HG23 ILE L 96 121.121 106.107 93.344 1.00 74.38 H +ATOM 1471 HD11 ILE L 96 119.351 110.128 92.048 1.00 74.38 H +ATOM 1472 HD12 ILE L 96 118.587 108.775 91.716 1.00 74.38 H +ATOM 1473 HD13 ILE L 96 119.146 109.036 93.180 1.00 74.38 H +ATOM 1474 N THR L 97 122.685 104.496 91.853 1.00 80.17 N +ATOM 1475 CA THR L 97 122.809 103.065 92.077 1.00 80.17 C +ATOM 1476 C THR L 97 122.364 102.751 93.496 1.00 80.17 C +ATOM 1477 O THR L 97 122.888 103.327 94.462 1.00 80.17 O +ATOM 1478 CB THR L 97 124.242 102.598 91.829 1.00 80.17 C +ATOM 1479 OG1 THR L 97 124.754 103.243 90.657 1.00 80.17 O +ATOM 1480 CG2 THR L 97 124.293 101.091 91.624 1.00 80.17 C +ATOM 1481 H THR L 97 123.191 104.967 92.365 1.00 80.17 H +ATOM 1482 HA THR L 97 122.226 102.579 91.476 1.00 80.17 H +ATOM 1483 HB THR L 97 124.795 102.829 92.590 1.00 80.17 H +ATOM 1484 HG1 THR L 97 125.534 102.974 90.498 1.00 80.17 H +ATOM 1485 HG21 THR L 97 125.151 100.843 91.248 1.00 80.17 H +ATOM 1486 HG22 THR L 97 124.181 100.637 92.470 1.00 80.17 H +ATOM 1487 HG23 THR L 97 123.596 100.803 91.015 1.00 80.17 H +ATOM 1488 N PHE L 98 121.376 101.866 93.609 1.00 78.40 N +ATOM 1489 CA PHE L 98 121.042 101.210 94.858 1.00 78.40 C +ATOM 1490 C PHE L 98 121.930 99.982 95.042 1.00 78.40 C +ATOM 1491 O PHE L 98 122.705 99.604 94.161 1.00 78.40 O +ATOM 1492 CB PHE L 98 119.571 100.798 94.857 1.00 78.40 C +ATOM 1493 CG PHE L 98 118.623 101.927 95.101 1.00 78.40 C +ATOM 1494 CD1 PHE L 98 118.340 102.339 96.388 1.00 78.40 C +ATOM 1495 CD2 PHE L 98 118.006 102.570 94.045 1.00 78.40 C +ATOM 1496 CE1 PHE L 98 117.467 103.374 96.622 1.00 78.40 C +ATOM 1497 CE2 PHE L 98 117.129 103.606 94.273 1.00 78.40 C +ATOM 1498 CZ PHE L 98 116.860 104.007 95.565 1.00 78.40 C +ATOM 1499 H PHE L 98 120.873 101.628 92.953 1.00 78.40 H +ATOM 1500 HA PHE L 98 121.193 101.818 95.598 1.00 78.40 H +ATOM 1501 HB2 PHE L 98 119.355 100.416 93.992 1.00 78.40 H +ATOM 1502 HB3 PHE L 98 119.415 100.140 95.551 1.00 78.40 H +ATOM 1503 HD1 PHE L 98 118.749 101.912 97.106 1.00 78.40 H +ATOM 1504 HD2 PHE L 98 118.185 102.301 93.173 1.00 78.40 H +ATOM 1505 HE1 PHE L 98 117.286 103.643 97.494 1.00 78.40 H +ATOM 1506 HE2 PHE L 98 116.719 104.035 93.556 1.00 78.40 H +ATOM 1507 HZ PHE L 98 116.268 104.707 95.722 1.00 78.40 H +ATOM 1508 N GLY L 99 121.804 99.347 96.199 1.00 86.66 N +ATOM 1509 CA GLY L 99 122.450 98.080 96.462 1.00 86.66 C +ATOM 1510 C GLY L 99 121.593 96.901 96.056 1.00 86.66 C +ATOM 1511 O GLY L 99 120.656 97.018 95.263 1.00 86.66 O +ATOM 1512 H GLY L 99 121.337 99.640 96.860 1.00 86.66 H +ATOM 1513 HA2 GLY L 99 123.288 98.029 95.977 1.00 86.66 H +ATOM 1514 HA3 GLY L 99 122.648 98.012 97.401 1.00 86.66 H +ATOM 1515 N GLN L 100 121.935 95.740 96.614 1.00 93.23 N +ATOM 1516 CA GLN L 100 121.159 94.521 96.427 1.00 93.23 C +ATOM 1517 C GLN L 100 120.154 94.266 97.540 1.00 93.23 C +ATOM 1518 O GLN L 100 119.152 93.585 97.303 1.00 93.23 O +ATOM 1519 CB GLN L 100 122.094 93.312 96.297 1.00 93.23 C +ATOM 1520 CG GLN L 100 123.042 93.098 97.471 1.00 93.23 C +ATOM 1521 CD GLN L 100 124.479 93.435 97.129 1.00 93.23 C +ATOM 1522 OE1 GLN L 100 124.751 94.363 96.366 1.00 93.23 O +ATOM 1523 NE2 GLN L 100 125.410 92.682 97.700 1.00 93.23 N +ATOM 1524 H GLN L 100 122.625 95.641 97.115 1.00 93.23 H +ATOM 1525 HA GLN L 100 120.662 94.583 95.597 1.00 93.23 H +ATOM 1526 HB2 GLN L 100 121.549 92.513 96.217 1.00 93.23 H +ATOM 1527 HB3 GLN L 100 122.627 93.418 95.495 1.00 93.23 H +ATOM 1528 HG2 GLN L 100 122.777 93.662 98.213 1.00 93.23 H +ATOM 1529 HG3 GLN L 100 123.008 92.166 97.736 1.00 93.23 H +ATOM 1530 HE21 GLN L 100 125.182 92.043 98.229 1.00 93.23 H +ATOM 1531 HE22 GLN L 100 126.241 92.831 97.540 1.00 93.23 H +ATOM 1532 N GLY L 101 120.391 94.790 98.731 1.00 96.10 N +ATOM 1533 CA GLY L 101 119.510 94.625 99.870 1.00 96.10 C +ATOM 1534 C GLY L 101 120.092 93.673 100.902 1.00 96.10 C +ATOM 1535 O GLY L 101 120.892 92.783 100.589 1.00 96.10 O +ATOM 1536 H GLY L 101 121.084 95.265 98.911 1.00 96.10 H +ATOM 1537 HA2 GLY L 101 119.373 95.487 100.293 1.00 96.10 H +ATOM 1538 HA3 GLY L 101 118.647 94.284 99.592 1.00 96.10 H +ATOM 1539 N THR L 102 119.689 93.872 102.157 1.00101.87 N +ATOM 1540 CA THR L 102 120.214 93.115 103.293 1.00101.87 C +ATOM 1541 C THR L 102 119.067 92.775 104.235 1.00101.87 C +ATOM 1542 O THR L 102 118.536 93.662 104.910 1.00101.87 O +ATOM 1543 CB THR L 102 121.290 93.908 104.024 1.00101.87 C +ATOM 1544 OG1 THR L 102 120.715 95.115 104.529 1.00101.87 O +ATOM 1545 CG2 THR L 102 122.430 94.248 103.084 1.00101.87 C +ATOM 1546 H THR L 102 119.098 94.453 102.382 1.00101.87 H +ATOM 1547 HA THR L 102 120.603 92.283 102.985 1.00101.87 H +ATOM 1548 HB THR L 102 121.637 93.374 104.754 1.00101.87 H +ATOM 1549 HG1 THR L 102 121.124 95.783 104.227 1.00101.87 H +ATOM 1550 HG21 THR L 102 123.222 94.485 103.585 1.00101.87 H +ATOM 1551 HG22 THR L 102 122.631 93.484 102.521 1.00101.87 H +ATOM 1552 HG23 THR L 102 122.173 94.996 102.524 1.00101.87 H +ATOM 1553 N ARG L 103 118.688 91.502 104.290 1.00107.62 N +ATOM 1554 CA ARG L 103 117.538 91.071 105.071 1.00107.62 C +ATOM 1555 C ARG L 103 117.932 90.776 106.515 1.00107.62 C +ATOM 1556 O ARG L 103 119.043 90.319 106.796 1.00107.62 O +ATOM 1557 CB ARG L 103 116.910 89.831 104.437 1.00107.62 C +ATOM 1558 CG ARG L 103 116.231 90.120 103.107 1.00107.62 C +ATOM 1559 CD ARG L 103 115.371 88.966 102.621 1.00107.62 C +ATOM 1560 NE ARG L 103 114.182 88.769 103.446 1.00107.62 N +ATOM 1561 CZ ARG L 103 114.055 87.887 104.431 1.00107.62 C +ATOM 1562 NH1 ARG L 103 115.051 87.092 104.794 1.00107.62 N1+ +ATOM 1563 NH2 ARG L 103 112.896 87.803 105.076 1.00107.62 N +ATOM 1564 H ARG L 103 119.086 90.860 103.877 1.00107.62 H +ATOM 1565 HA ARG L 103 116.870 91.773 105.076 1.00107.62 H +ATOM 1566 HB2 ARG L 103 117.601 89.169 104.283 1.00107.62 H +ATOM 1567 HB3 ARG L 103 116.245 89.482 105.048 1.00107.62 H +ATOM 1568 HG2 ARG L 103 115.661 90.898 103.206 1.00107.62 H +ATOM 1569 HG3 ARG L 103 116.910 90.288 102.437 1.00107.62 H +ATOM 1570 HD2 ARG L 103 115.063 89.179 101.727 1.00107.62 H +ATOM 1571 HD3 ARG L 103 115.901 88.157 102.585 1.00107.62 H +ATOM 1572 HE ARG L 103 113.523 89.305 103.313 1.00107.62 H +ATOM 1573 HH11 ARG L 103 115.812 87.120 104.400 1.00107.62 H +ATOM 1574 HH12 ARG L 103 114.932 86.535 105.438 1.00107.62 H +ATOM 1575 HH21 ARG L 103 112.242 88.315 104.851 1.00107.62 H +ATOM 1576 HH22 ARG L 103 112.800 87.239 105.717 1.00107.62 H +ATOM 1577 N LEU L 104 116.999 91.043 107.429 1.00110.82 N +ATOM 1578 CA LEU L 104 117.186 90.857 108.863 1.00110.82 C +ATOM 1579 C LEU L 104 116.280 89.740 109.370 1.00110.82 C +ATOM 1580 O LEU L 104 115.105 89.666 108.994 1.00110.82 O +ATOM 1581 CB LEU L 104 116.894 92.151 109.629 1.00110.82 C +ATOM 1582 CG LEU L 104 118.039 93.160 109.750 1.00110.82 C +ATOM 1583 CD1 LEU L 104 119.055 92.695 110.777 1.00110.82 C +ATOM 1584 CD2 LEU L 104 118.717 93.410 108.411 1.00110.82 C +ATOM 1585 H LEU L 104 116.221 91.349 107.230 1.00110.82 H +ATOM 1586 HA LEU L 104 118.102 90.608 109.044 1.00110.82 H +ATOM 1587 HB2 LEU L 104 116.157 92.604 109.195 1.00110.82 H +ATOM 1588 HB3 LEU L 104 116.628 91.913 110.531 1.00110.82 H +ATOM 1589 HG LEU L 104 117.678 94.006 110.057 1.00110.82 H +ATOM 1590 HD11 LEU L 104 119.753 93.365 110.854 1.00110.82 H +ATOM 1591 HD12 LEU L 104 118.610 92.583 111.631 1.00110.82 H +ATOM 1592 HD13 LEU L 104 119.438 91.852 110.490 1.00110.82 H +ATOM 1593 HD21 LEU L 104 119.261 94.209 108.479 1.00110.82 H +ATOM 1594 HD22 LEU L 104 119.277 92.649 108.192 1.00110.82 H +ATOM 1595 HD23 LEU L 104 118.037 93.531 107.730 1.00110.82 H +ATOM 1596 N GLU L 105 116.828 88.879 110.233 1.00124.10 N +ATOM 1597 CA GLU L 105 116.124 87.708 110.742 1.00124.10 C +ATOM 1598 C GLU L 105 116.290 87.623 112.253 1.00124.10 C +ATOM 1599 O GLU L 105 117.251 88.143 112.825 1.00124.10 O +ATOM 1600 CB GLU L 105 116.662 86.419 110.112 1.00124.10 C +ATOM 1601 CG GLU L 105 116.470 86.325 108.610 1.00124.10 C +ATOM 1602 CD GLU L 105 115.029 86.101 108.213 1.00124.10 C +ATOM 1603 OE1 GLU L 105 114.310 85.389 108.945 1.00124.10 O +ATOM 1604 OE2 GLU L 105 114.609 86.644 107.170 1.00124.10 O1- +ATOM 1605 H GLU L 105 117.628 88.955 110.540 1.00124.10 H +ATOM 1606 HA GLU L 105 115.177 87.770 110.549 1.00124.10 H +ATOM 1607 HB2 GLU L 105 117.611 86.376 110.290 1.00124.10 H +ATOM 1608 HB3 GLU L 105 116.220 85.660 110.522 1.00124.10 H +ATOM 1609 HG2 GLU L 105 116.775 87.148 108.196 1.00124.10 H +ATOM 1610 HG3 GLU L 105 116.990 85.576 108.277 1.00124.10 H +ATOM 1611 N ILE L 106 115.327 86.966 112.895 1.00129.22 N +ATOM 1612 CA ILE L 106 115.309 86.799 114.344 1.00129.22 C +ATOM 1613 C ILE L 106 115.929 85.453 114.701 1.00129.22 C +ATOM 1614 O ILE L 106 115.537 84.418 114.147 1.00129.22 O +ATOM 1615 CB ILE L 106 113.868 86.898 114.877 1.00129.22 C +ATOM 1616 CG1 ILE L 106 113.285 88.283 114.557 1.00129.22 C +ATOM 1617 CG2 ILE L 106 113.822 86.579 116.372 1.00129.22 C +ATOM 1618 CD1 ILE L 106 112.578 88.377 113.212 1.00129.22 C +ATOM 1619 H ILE L 106 114.652 86.606 112.502 1.00129.22 H +ATOM 1620 HA ILE L 106 115.836 87.494 114.764 1.00129.22 H +ATOM 1621 HB ILE L 106 113.339 86.225 114.421 1.00129.22 H +ATOM 1622 HG12 ILE L 106 112.652 88.564 115.236 1.00129.22 H +ATOM 1623 HG13 ILE L 106 114.021 88.909 114.515 1.00129.22 H +ATOM 1624 HG21 ILE L 106 113.085 87.039 116.802 1.00129.22 H +ATOM 1625 HG22 ILE L 106 113.686 85.625 116.461 1.00129.22 H +ATOM 1626 HG23 ILE L 106 114.658 86.844 116.785 1.00129.22 H +ATOM 1627 HD11 ILE L 106 111.975 89.136 113.238 1.00129.22 H +ATOM 1628 HD12 ILE L 106 113.232 88.505 112.506 1.00129.22 H +ATOM 1629 HD13 ILE L 106 112.070 87.567 113.054 1.00129.22 H +ATOM 1630 N LYS L 107 116.898 85.454 115.619 1.00128.81 N +ATOM 1631 CA LYS L 107 117.244 84.224 116.325 1.00128.81 C +ATOM 1632 C LYS L 107 116.057 83.663 117.091 1.00128.81 C +ATOM 1633 O LYS L 107 115.322 84.393 117.760 1.00128.81 O +ATOM 1634 CB LYS L 107 118.404 84.450 117.298 1.00128.81 C +ATOM 1635 CG LYS L 107 119.726 84.902 116.697 1.00128.81 C +ATOM 1636 CD LYS L 107 120.422 83.792 115.901 1.00128.81 C +ATOM 1637 CE LYS L 107 120.106 83.832 114.420 1.00128.81 C +ATOM 1638 NZ LYS L 107 120.871 82.811 113.658 1.00128.81 N1+ +ATOM 1639 H LYS L 107 117.363 86.143 115.845 1.00128.81 H +ATOM 1640 HA LYS L 107 117.496 83.542 115.691 1.00128.81 H +ATOM 1641 HB2 LYS L 107 118.134 85.132 117.933 1.00128.81 H +ATOM 1642 HB3 LYS L 107 118.566 83.620 117.773 1.00128.81 H +ATOM 1643 HG2 LYS L 107 119.542 85.622 116.083 1.00128.81 H +ATOM 1644 HG3 LYS L 107 120.321 85.195 117.404 1.00128.81 H +ATOM 1645 HD2 LYS L 107 121.381 83.894 116.001 1.00128.81 H +ATOM 1646 HD3 LYS L 107 120.148 82.928 116.244 1.00128.81 H +ATOM 1647 HE2 LYS L 107 119.168 83.692 114.260 1.00128.81 H +ATOM 1648 HE3 LYS L 107 120.368 84.698 114.084 1.00128.81 H +ATOM 1649 HZ1 LYS L 107 120.636 82.835 112.799 1.00128.81 H +ATOM 1650 HZ2 LYS L 107 121.743 82.974 113.726 1.00128.81 H +ATOM 1651 HZ3 LYS L 107 120.700 81.999 113.980 1.00128.81 H +ATOM 1652 N ARG L 108 115.909 82.348 117.032 1.00132.16 N +ATOM 1653 CA ARG L 108 115.166 81.585 118.025 1.00132.16 C +ATOM 1654 C ARG L 108 115.718 80.164 117.990 1.00132.16 C +ATOM 1655 O ARG L 108 116.751 79.900 117.366 1.00132.16 O +ATOM 1656 CB ARG L 108 113.651 81.689 117.789 1.00132.16 C +ATOM 1657 CG ARG L 108 113.053 80.810 116.699 1.00132.16 C +ATOM 1658 CD ARG L 108 113.571 81.167 115.323 1.00132.16 C +ATOM 1659 NE ARG L 108 112.831 80.443 114.299 1.00132.16 N +ATOM 1660 CZ ARG L 108 113.011 79.164 114.000 1.00132.16 C +ATOM 1661 NH1 ARG L 108 113.923 78.426 114.613 1.00132.16 N1+ +ATOM 1662 NH2 ARG L 108 112.244 78.603 113.072 1.00132.16 N +ATOM 1663 H ARG L 108 116.242 81.860 116.407 1.00132.16 H +ATOM 1664 HA ARG L 108 115.352 81.952 118.903 1.00132.16 H +ATOM 1665 HB2 ARG L 108 113.204 81.456 118.618 1.00132.16 H +ATOM 1666 HB3 ARG L 108 113.443 82.609 117.563 1.00132.16 H +ATOM 1667 HG2 ARG L 108 113.234 79.874 116.865 1.00132.16 H +ATOM 1668 HG3 ARG L 108 112.093 80.952 116.691 1.00132.16 H +ATOM 1669 HD2 ARG L 108 113.450 82.117 115.173 1.00132.16 H +ATOM 1670 HD3 ARG L 108 114.510 80.934 115.255 1.00132.16 H +ATOM 1671 HE ARG L 108 112.218 80.869 113.874 1.00132.16 H +ATOM 1672 HH11 ARG L 108 114.432 78.760 115.219 1.00132.16 H +ATOM 1673 HH12 ARG L 108 114.012 77.600 114.395 1.00132.16 H +ATOM 1674 HH21 ARG L 108 111.649 79.072 112.667 1.00132.16 H +ATOM 1675 HH22 ARG L 108 112.351 77.775 112.868 1.00132.16 H +ATOM 1676 N THR L 109 115.032 79.242 118.656 1.00139.17 N +ATOM 1677 CA THR L 109 115.458 77.850 118.645 1.00139.17 C +ATOM 1678 C THR L 109 115.296 77.289 117.238 1.00139.17 C +ATOM 1679 O THR L 109 114.191 77.295 116.686 1.00139.17 O +ATOM 1680 CB THR L 109 114.646 77.033 119.645 1.00139.17 C +ATOM 1681 OG1 THR L 109 114.545 77.748 120.882 1.00139.17 O +ATOM 1682 CG2 THR L 109 115.311 75.687 119.899 1.00139.17 C +ATOM 1683 H THR L 109 114.321 79.395 119.116 1.00139.17 H +ATOM 1684 HA THR L 109 116.394 77.798 118.891 1.00139.17 H +ATOM 1685 HB THR L 109 113.758 76.875 119.289 1.00139.17 H +ATOM 1686 HG1 THR L 109 114.122 77.289 121.445 1.00139.17 H +ATOM 1687 HG21 THR L 109 114.834 75.208 120.595 1.00139.17 H +ATOM 1688 HG22 THR L 109 115.304 75.153 119.089 1.00139.17 H +ATOM 1689 HG23 THR L 109 116.229 75.819 120.182 1.00139.17 H +ATOM 1690 N VAL L 110 116.413 76.855 116.643 1.00131.54 N +ATOM 1691 CA VAL L 110 116.384 76.261 115.311 1.00131.54 C +ATOM 1692 C VAL L 110 115.400 75.103 115.301 1.00131.54 C +ATOM 1693 O VAL L 110 115.468 74.202 116.143 1.00131.54 O +ATOM 1694 CB VAL L 110 117.799 75.822 114.884 1.00131.54 C +ATOM 1695 CG1 VAL L 110 118.377 74.761 115.827 1.00131.54 C +ATOM 1696 CG2 VAL L 110 117.790 75.316 113.446 1.00131.54 C +ATOM 1697 H VAL L 110 117.197 76.902 116.991 1.00131.54 H +ATOM 1698 HA VAL L 110 116.079 76.923 114.672 1.00131.54 H +ATOM 1699 HB VAL L 110 118.385 76.594 114.918 1.00131.54 H +ATOM 1700 HG11 VAL L 110 119.318 74.651 115.623 1.00131.54 H +ATOM 1701 HG12 VAL L 110 118.277 75.041 116.749 1.00131.54 H +ATOM 1702 HG13 VAL L 110 117.915 73.920 115.686 1.00131.54 H +ATOM 1703 HG21 VAL L 110 118.705 75.261 113.129 1.00131.54 H +ATOM 1704 HG22 VAL L 110 117.378 74.439 113.416 1.00131.54 H +ATOM 1705 HG23 VAL L 110 117.289 75.939 112.896 1.00131.54 H +TER 1706 VAL L 110 +ATOM 1707 N GLN H 1 99.982 116.691 106.997 1.00103.24 N +ATOM 1708 CA GLN H 1 99.561 116.748 105.568 1.00103.24 C +ATOM 1709 C GLN H 1 100.764 116.584 104.619 1.00103.24 C +ATOM 1710 O GLN H 1 100.601 116.564 103.401 1.00103.24 O +ATOM 1711 CB GLN H 1 98.817 118.072 105.308 1.00103.24 C +ATOM 1712 CG GLN H 1 98.432 118.413 103.853 1.00103.24 C +ATOM 1713 CD GLN H 1 97.631 117.323 103.142 1.00103.24 C +ATOM 1714 OE1 GLN H 1 98.005 116.151 103.135 1.00103.24 O +ATOM 1715 NE2 GLN H 1 96.521 117.718 102.529 1.00103.24 N +ATOM 1716 H GLN H 1 99.275 116.830 107.520 1.00103.24 H +ATOM 1717 HA GLN H 1 98.945 116.018 105.405 1.00103.24 H +ATOM 1718 HB2 GLN H 1 97.994 118.057 105.821 1.00103.24 H +ATOM 1719 HB3 GLN H 1 99.377 118.796 105.629 1.00103.24 H +ATOM 1720 HG2 GLN H 1 97.879 119.210 103.869 1.00103.24 H +ATOM 1721 HG3 GLN H 1 99.232 118.594 103.336 1.00103.24 H +ATOM 1722 HE21 GLN H 1 96.286 118.545 102.550 1.00103.24 H +ATOM 1723 HE22 GLN H 1 96.033 117.144 102.113 1.00103.24 H +ATOM 1724 N VAL H 2 101.966 116.386 105.163 1.00 92.27 N +ATOM 1725 CA VAL H 2 103.156 116.351 104.317 1.00 92.27 C +ATOM 1726 C VAL H 2 103.264 114.951 103.737 1.00 92.27 C +ATOM 1727 O VAL H 2 103.834 114.041 104.349 1.00 92.27 O +ATOM 1728 CB VAL H 2 104.437 116.762 105.078 1.00 92.27 C +ATOM 1729 CG1 VAL H 2 104.383 118.236 105.432 1.00 92.27 C +ATOM 1730 CG2 VAL H 2 104.712 115.903 106.336 1.00 92.27 C +ATOM 1731 H VAL H 2 102.116 116.278 105.997 1.00 92.27 H +ATOM 1732 HA VAL H 2 103.053 116.962 103.577 1.00 92.27 H +ATOM 1733 HB VAL H 2 105.193 116.640 104.481 1.00 92.27 H +ATOM 1734 HG11 VAL H 2 105.225 118.497 105.836 1.00 92.27 H +ATOM 1735 HG12 VAL H 2 104.233 118.745 104.621 1.00 92.27 H +ATOM 1736 HG13 VAL H 2 103.654 118.384 106.055 1.00 92.27 H +ATOM 1737 HG21 VAL H 2 105.121 116.464 107.013 1.00 92.27 H +ATOM 1738 HG22 VAL H 2 103.901 115.512 106.687 1.00 92.27 H +ATOM 1739 HG23 VAL H 2 105.324 115.192 106.091 1.00 92.27 H +ATOM 1740 N GLN H 3 102.695 114.773 102.548 1.00 92.92 N +ATOM 1741 CA GLN H 3 102.616 113.459 101.939 1.00 92.92 C +ATOM 1742 C GLN H 3 102.658 113.572 100.424 1.00 92.92 C +ATOM 1743 O GLN H 3 102.477 114.649 99.834 1.00 92.92 O +ATOM 1744 CB GLN H 3 101.338 112.724 102.366 1.00 92.92 C +ATOM 1745 CG GLN H 3 101.348 112.224 103.805 1.00 92.92 C +ATOM 1746 CD GLN H 3 100.715 113.207 104.774 1.00 92.92 C +ATOM 1747 OE1 GLN H 3 99.624 113.724 104.530 1.00 92.92 O +ATOM 1748 NE2 GLN H 3 101.400 113.470 105.880 1.00 92.92 N +ATOM 1749 H GLN H 3 102.347 115.401 102.076 1.00 92.92 H +ATOM 1750 HA GLN H 3 103.378 112.924 102.208 1.00 92.92 H +ATOM 1751 HB2 GLN H 3 100.586 113.326 102.262 1.00 92.92 H +ATOM 1752 HB3 GLN H 3 101.215 111.951 101.794 1.00 92.92 H +ATOM 1753 HG2 GLN H 3 100.845 111.396 103.852 1.00 92.92 H +ATOM 1754 HG3 GLN H 3 102.263 112.070 104.084 1.00 92.92 H +ATOM 1755 HE21 GLN H 3 102.159 113.090 106.017 1.00 92.92 H +ATOM 1756 HE22 GLN H 3 101.083 114.020 106.460 1.00 92.92 H +ATOM 1757 N LEU H 4 102.910 112.419 99.814 1.00 82.15 N +ATOM 1758 CA LEU H 4 102.706 112.171 98.400 1.00 82.15 C +ATOM 1759 C LEU H 4 101.726 111.016 98.276 1.00 82.15 C +ATOM 1760 O LEU H 4 101.761 110.081 99.083 1.00 82.15 O +ATOM 1761 CB LEU H 4 104.015 111.806 97.691 1.00 82.15 C +ATOM 1762 CG LEU H 4 105.147 112.830 97.591 1.00 82.15 C +ATOM 1763 CD1 LEU H 4 106.262 112.269 96.730 1.00 82.15 C +ATOM 1764 CD2 LEU H 4 104.666 114.151 97.034 1.00 82.15 C +ATOM 1765 H LEU H 4 103.216 111.730 100.228 1.00 82.15 H +ATOM 1766 HA LEU H 4 102.323 112.955 97.986 1.00 82.15 H +ATOM 1767 HB2 LEU H 4 104.385 111.033 98.146 1.00 82.15 H +ATOM 1768 HB3 LEU H 4 103.791 111.552 96.785 1.00 82.15 H +ATOM 1769 HG LEU H 4 105.506 112.992 98.477 1.00 82.15 H +ATOM 1770 HD11 LEU H 4 107.009 112.887 96.736 1.00 82.15 H +ATOM 1771 HD12 LEU H 4 106.538 111.412 97.092 1.00 82.15 H +ATOM 1772 HD13 LEU H 4 105.933 112.154 95.824 1.00 82.15 H +ATOM 1773 HD21 LEU H 4 105.422 114.636 96.668 1.00 82.15 H +ATOM 1774 HD22 LEU H 4 104.013 113.981 96.337 1.00 82.15 H +ATOM 1775 HD23 LEU H 4 104.260 114.662 97.751 1.00 82.15 H +ATOM 1776 N VAL H 5 100.849 111.080 97.279 1.00 83.09 N +ATOM 1777 CA VAL H 5 99.983 109.959 96.935 1.00 83.09 C +ATOM 1778 C VAL H 5 100.087 109.746 95.437 1.00 83.09 C +ATOM 1779 O VAL H 5 99.790 110.650 94.654 1.00 83.09 O +ATOM 1780 CB VAL H 5 98.521 110.203 97.346 1.00 83.09 C +ATOM 1781 CG1 VAL H 5 97.632 109.073 96.841 1.00 83.09 C +ATOM 1782 CG2 VAL H 5 98.407 110.344 98.856 1.00 83.09 C +ATOM 1783 H VAL H 5 100.735 111.772 96.781 1.00 83.09 H +ATOM 1784 HA VAL H 5 100.288 109.148 97.371 1.00 83.09 H +ATOM 1785 HB VAL H 5 98.213 111.030 96.943 1.00 83.09 H +ATOM 1786 HG11 VAL H 5 96.842 109.019 97.400 1.00 83.09 H +ATOM 1787 HG12 VAL H 5 97.371 109.257 95.925 1.00 83.09 H +ATOM 1788 HG13 VAL H 5 98.124 108.239 96.887 1.00 83.09 H +ATOM 1789 HG21 VAL H 5 97.479 110.505 99.090 1.00 83.09 H +ATOM 1790 HG22 VAL H 5 98.715 109.524 99.272 1.00 83.09 H +ATOM 1791 HG23 VAL H 5 98.953 111.089 99.149 1.00 83.09 H +ATOM 1792 N GLU H 6 100.476 108.547 95.042 1.00 85.00 N +ATOM 1793 CA GLU H 6 100.619 108.217 93.636 1.00 85.00 C +ATOM 1794 C GLU H 6 99.242 107.968 93.014 1.00 85.00 C +ATOM 1795 O GLU H 6 98.210 108.013 93.689 1.00 85.00 O +ATOM 1796 CB GLU H 6 101.579 107.037 93.483 1.00 85.00 C +ATOM 1797 CG GLU H 6 101.106 105.682 94.014 1.00 85.00 C +ATOM 1798 CD GLU H 6 101.145 105.499 95.511 1.00 85.00 C +ATOM 1799 OE1 GLU H 6 101.880 106.241 96.197 1.00 85.00 O +ATOM 1800 OE2 GLU H 6 100.444 104.590 95.999 1.00 85.00 O1- +ATOM 1801 H GLU H 6 100.671 107.928 95.587 1.00 85.00 H +ATOM 1802 HA GLU H 6 101.016 108.973 93.178 1.00 85.00 H +ATOM 1803 HB2 GLU H 6 101.766 106.923 92.538 1.00 85.00 H +ATOM 1804 HB3 GLU H 6 102.403 107.256 93.945 1.00 85.00 H +ATOM 1805 HG2 GLU H 6 100.208 105.487 93.704 1.00 85.00 H +ATOM 1806 HG3 GLU H 6 101.729 105.029 93.673 1.00 85.00 H +ATOM 1807 N SER H 7 99.216 107.718 91.705 1.00 83.73 N +ATOM 1808 CA SER H 7 97.969 107.487 90.986 1.00 83.73 C +ATOM 1809 C SER H 7 98.277 107.019 89.570 1.00 83.73 C +ATOM 1810 O SER H 7 99.282 107.428 88.974 1.00 83.73 O +ATOM 1811 CB SER H 7 97.105 108.754 90.940 1.00 83.73 C +ATOM 1812 OG SER H 7 96.659 109.127 92.232 1.00 83.73 O +ATOM 1813 H SER H 7 99.917 107.678 91.207 1.00 83.73 H +ATOM 1814 HA SER H 7 97.464 106.791 91.435 1.00 83.73 H +ATOM 1815 HB2 SER H 7 97.632 109.478 90.567 1.00 83.73 H +ATOM 1816 HB3 SER H 7 96.333 108.586 90.378 1.00 83.73 H +ATOM 1817 HG SER H 7 96.177 108.520 92.556 1.00 83.73 H +ATOM 1818 N GLY H 8 97.357 106.227 89.016 1.00 80.69 N +ATOM 1819 CA GLY H 8 97.479 105.697 87.670 1.00 80.69 C +ATOM 1820 C GLY H 8 97.890 104.245 87.552 1.00 80.69 C +ATOM 1821 O GLY H 8 98.221 103.808 86.444 1.00 80.69 O +ATOM 1822 H GLY H 8 96.638 105.979 89.416 1.00 80.69 H +ATOM 1823 HA2 GLY H 8 96.620 105.789 87.229 1.00 80.69 H +ATOM 1824 HA3 GLY H 8 98.120 106.225 87.170 1.00 80.69 H +ATOM 1825 N GLY H 9 97.894 103.491 88.649 1.00 82.43 N +ATOM 1826 CA GLY H 9 98.287 102.092 88.577 1.00 82.43 C +ATOM 1827 C GLY H 9 97.381 101.288 87.668 1.00 82.43 C +ATOM 1828 O GLY H 9 96.164 101.484 87.640 1.00 82.43 O +ATOM 1829 H GLY H 9 97.678 103.763 89.435 1.00 82.43 H +ATOM 1830 HA2 GLY H 9 99.196 102.036 88.248 1.00 82.43 H +ATOM 1831 HA3 GLY H 9 98.226 101.677 89.447 1.00 82.43 H +ATOM 1832 N GLY H 10 97.980 100.373 86.919 1.00 88.73 N +ATOM 1833 CA GLY H 10 97.169 99.673 85.945 1.00 88.73 C +ATOM 1834 C GLY H 10 97.912 98.572 85.226 1.00 88.73 C +ATOM 1835 O GLY H 10 99.022 98.185 85.600 1.00 88.73 O +ATOM 1836 H GLY H 10 98.809 100.147 86.952 1.00 88.73 H +ATOM 1837 HA2 GLY H 10 96.403 99.279 86.391 1.00 88.73 H +ATOM 1838 HA3 GLY H 10 96.845 100.305 85.284 1.00 88.73 H +ATOM 1839 N VAL H 11 97.259 98.081 84.174 1.00 91.94 N +ATOM 1840 CA VAL H 11 97.782 97.036 83.308 1.00 91.94 C +ATOM 1841 C VAL H 11 97.710 97.541 81.877 1.00 91.94 C +ATOM 1842 O VAL H 11 96.731 98.190 81.497 1.00 91.94 O +ATOM 1843 CB VAL H 11 96.989 95.717 83.453 1.00 91.94 C +ATOM 1844 CG1 VAL H 11 95.492 95.932 83.199 1.00 91.94 C +ATOM 1845 CG2 VAL H 11 97.533 94.668 82.494 1.00 91.94 C +ATOM 1846 H VAL H 11 96.479 98.353 83.936 1.00 91.94 H +ATOM 1847 HA VAL H 11 98.695 96.866 83.540 1.00 91.94 H +ATOM 1848 HB VAL H 11 97.082 95.384 84.357 1.00 91.94 H +ATOM 1849 HG11 VAL H 11 95.033 95.095 83.368 1.00 91.94 H +ATOM 1850 HG12 VAL H 11 95.149 96.611 83.800 1.00 91.94 H +ATOM 1851 HG13 VAL H 11 95.345 96.198 82.279 1.00 91.94 H +ATOM 1852 HG21 VAL H 11 97.318 93.787 82.837 1.00 91.94 H +ATOM 1853 HG22 VAL H 11 97.124 94.790 81.623 1.00 91.94 H +ATOM 1854 HG23 VAL H 11 98.495 94.769 82.425 1.00 91.94 H +ATOM 1855 N VAL H 12 98.738 97.236 81.076 1.00 90.71 N +ATOM 1856 CA VAL H 12 98.748 97.635 79.667 1.00 90.71 C +ATOM 1857 C VAL H 12 99.524 96.590 78.874 1.00 90.71 C +ATOM 1858 O VAL H 12 100.372 95.884 79.409 1.00 90.71 O +ATOM 1859 CB VAL H 12 99.367 99.055 79.478 1.00 90.71 C +ATOM 1860 CG1 VAL H 12 99.481 99.445 78.001 1.00 90.71 C +ATOM 1861 CG2 VAL H 12 98.559 100.118 80.220 1.00 90.71 C +ATOM 1862 H VAL H 12 99.439 96.806 81.325 1.00 90.71 H +ATOM 1863 HA VAL H 12 97.840 97.652 79.328 1.00 90.71 H +ATOM 1864 HB VAL H 12 100.264 99.054 79.849 1.00 90.71 H +ATOM 1865 HG11 VAL H 12 99.581 100.405 77.910 1.00 90.71 H +ATOM 1866 HG12 VAL H 12 100.256 99.008 77.623 1.00 90.71 H +ATOM 1867 HG13 VAL H 12 98.678 99.155 77.540 1.00 90.71 H +ATOM 1868 HG21 VAL H 12 98.837 100.997 79.934 1.00 90.71 H +ATOM 1869 HG22 VAL H 12 97.618 99.996 80.020 1.00 90.71 H +ATOM 1870 HG23 VAL H 12 98.713 100.026 81.172 1.00 90.71 H +ATOM 1871 N GLN H 13 99.246 96.506 77.576 1.00 91.34 N +ATOM 1872 CA GLN H 13 99.947 95.569 76.713 1.00 91.34 C +ATOM 1873 C GLN H 13 101.357 96.073 76.418 1.00 91.34 C +ATOM 1874 O GLN H 13 101.626 97.272 76.522 1.00 91.34 O +ATOM 1875 CB GLN H 13 99.181 95.374 75.408 1.00 91.34 C +ATOM 1876 CG GLN H 13 97.900 94.563 75.543 1.00 91.34 C +ATOM 1877 CD GLN H 13 96.769 95.356 76.164 1.00 91.34 C +ATOM 1878 OE1 GLN H 13 96.326 95.061 77.272 1.00 91.34 O +ATOM 1879 NE2 GLN H 13 96.299 96.374 75.453 1.00 91.34 N +ATOM 1880 H GLN H 13 98.654 96.982 77.173 1.00 91.34 H +ATOM 1881 HA GLN H 13 99.980 94.721 77.178 1.00 91.34 H +ATOM 1882 HB2 GLN H 13 98.945 96.246 75.054 1.00 91.34 H +ATOM 1883 HB3 GLN H 13 99.757 94.912 74.778 1.00 91.34 H +ATOM 1884 HG2 GLN H 13 97.615 94.276 74.661 1.00 91.34 H +ATOM 1885 HG3 GLN H 13 98.070 93.791 76.105 1.00 91.34 H +ATOM 1886 HE21 GLN H 13 96.634 96.551 74.682 1.00 91.34 H +ATOM 1887 HE22 GLN H 13 95.656 96.854 75.764 1.00 91.34 H +ATOM 1888 N PRO H 14 102.288 95.185 76.056 1.00 93.34 N +ATOM 1889 CA PRO H 14 103.587 95.671 75.577 1.00 93.34 C +ATOM 1890 C PRO H 14 103.426 96.515 74.323 1.00 93.34 C +ATOM 1891 O PRO H 14 102.517 96.305 73.517 1.00 93.34 O +ATOM 1892 CB PRO H 14 104.370 94.384 75.288 1.00 93.34 C +ATOM 1893 CG PRO H 14 103.688 93.330 76.065 1.00 93.34 C +ATOM 1894 CD PRO H 14 102.246 93.713 76.098 1.00 93.34 C +ATOM 1895 HA PRO H 14 104.040 96.183 76.265 1.00 93.34 H +ATOM 1896 HB2 PRO H 14 104.335 94.188 74.339 1.00 93.34 H +ATOM 1897 HB3 PRO H 14 105.288 94.487 75.583 1.00 93.34 H +ATOM 1898 HG2 PRO H 14 103.803 92.476 75.621 1.00 93.34 H +ATOM 1899 HG3 PRO H 14 104.054 93.301 76.963 1.00 93.34 H +ATOM 1900 HD2 PRO H 14 101.785 93.364 75.319 1.00 93.34 H +ATOM 1901 HD3 PRO H 14 101.842 93.401 76.922 1.00 93.34 H +ATOM 1902 N GLY H 15 104.319 97.489 74.170 1.00 92.64 N +ATOM 1903 CA GLY H 15 104.355 98.333 73.000 1.00 92.64 C +ATOM 1904 C GLY H 15 103.451 99.546 73.069 1.00 92.64 C +ATOM 1905 O GLY H 15 103.664 100.504 72.319 1.00 92.64 O +ATOM 1906 H GLY H 15 104.926 97.679 74.749 1.00 92.64 H +ATOM 1907 HA2 GLY H 15 105.263 98.645 72.865 1.00 92.64 H +ATOM 1908 HA3 GLY H 15 104.099 97.811 72.224 1.00 92.64 H +ATOM 1909 N ARG H 16 102.456 99.533 73.954 1.00 92.68 N +ATOM 1910 CA ARG H 16 101.561 100.658 74.167 1.00 92.68 C +ATOM 1911 C ARG H 16 102.141 101.540 75.272 1.00 92.68 C +ATOM 1912 O ARG H 16 103.280 101.347 75.706 1.00 92.68 O +ATOM 1913 CB ARG H 16 100.156 100.151 74.480 1.00 92.68 C +ATOM 1914 CG ARG H 16 99.595 99.223 73.406 1.00 92.68 C +ATOM 1915 CD ARG H 16 98.156 99.559 73.042 1.00 92.68 C +ATOM 1916 NE ARG H 16 98.032 100.879 72.433 1.00 92.68 N +ATOM 1917 CZ ARG H 16 98.394 101.182 71.192 1.00 92.68 C +ATOM 1918 NH1 ARG H 16 98.919 100.279 70.378 1.00 92.68 N1+ +ATOM 1919 NH2 ARG H 16 98.226 102.427 70.755 1.00 92.68 N +ATOM 1920 H ARG H 16 102.271 98.862 74.456 1.00 92.68 H +ATOM 1921 HA ARG H 16 101.510 101.189 73.358 1.00 92.68 H +ATOM 1922 HB2 ARG H 16 100.188 99.650 75.308 1.00 92.68 H +ATOM 1923 HB3 ARG H 16 99.558 100.908 74.576 1.00 92.68 H +ATOM 1924 HG2 ARG H 16 100.133 99.303 72.603 1.00 92.68 H +ATOM 1925 HG3 ARG H 16 99.617 98.309 73.732 1.00 92.68 H +ATOM 1926 HD2 ARG H 16 97.825 98.901 72.411 1.00 92.68 H +ATOM 1927 HD3 ARG H 16 97.615 99.548 73.848 1.00 92.68 H +ATOM 1928 HE ARG H 16 97.706 101.511 72.917 1.00 92.68 H +ATOM 1929 HH11 ARG H 16 99.039 99.468 70.634 1.00 92.68 H +ATOM 1930 HH12 ARG H 16 99.143 100.509 69.580 1.00 92.68 H +ATOM 1931 HH21 ARG H 16 97.886 103.023 71.274 1.00 92.68 H +ATOM 1932 HH22 ARG H 16 98.456 102.636 69.954 1.00 92.68 H +ATOM 1933 N SER H 17 101.366 102.521 75.737 1.00 91.23 N +ATOM 1934 CA SER H 17 101.847 103.507 76.694 1.00 91.23 C +ATOM 1935 C SER H 17 100.858 103.694 77.834 1.00 91.23 C +ATOM 1936 O SER H 17 99.662 103.419 77.711 1.00 91.23 O +ATOM 1937 CB SER H 17 102.081 104.856 76.011 1.00 91.23 C +ATOM 1938 OG SER H 17 102.214 105.889 76.973 1.00 91.23 O +ATOM 1939 H SER H 17 100.545 102.635 75.509 1.00 91.23 H +ATOM 1940 HA SER H 17 102.686 103.228 77.089 1.00 91.23 H +ATOM 1941 HB2 SER H 17 102.896 104.808 75.486 1.00 91.23 H +ATOM 1942 HB3 SER H 17 101.326 105.055 75.435 1.00 91.23 H +ATOM 1943 HG SER H 17 102.329 106.627 76.589 1.00 91.23 H +ATOM 1944 N LEU H 18 101.395 104.170 78.955 1.00 83.43 N +ATOM 1945 CA LEU H 18 100.625 104.599 80.112 1.00 83.43 C +ATOM 1946 C LEU H 18 101.322 105.807 80.716 1.00 83.43 C +ATOM 1947 O LEU H 18 102.529 105.991 80.538 1.00 83.43 O +ATOM 1948 CB LEU H 18 100.458 103.474 81.146 1.00 83.43 C +ATOM 1949 CG LEU H 18 99.853 103.797 82.517 1.00 83.43 C +ATOM 1950 CD1 LEU H 18 98.420 104.286 82.403 1.00 83.43 C +ATOM 1951 CD2 LEU H 18 99.900 102.565 83.398 1.00 83.43 C +ATOM 1952 H LEU H 18 102.243 104.256 79.068 1.00 83.43 H +ATOM 1953 HA LEU H 18 99.743 104.875 79.819 1.00 83.43 H +ATOM 1954 HB2 LEU H 18 99.858 102.831 80.750 1.00 83.43 H +ATOM 1955 HB3 LEU H 18 101.310 103.041 81.289 1.00 83.43 H +ATOM 1956 HG LEU H 18 100.376 104.485 82.955 1.00 83.43 H +ATOM 1957 HD11 LEU H 18 98.156 104.684 83.247 1.00 83.43 H +ATOM 1958 HD12 LEU H 18 98.348 104.941 81.693 1.00 83.43 H +ATOM 1959 HD13 LEU H 18 97.850 103.527 82.204 1.00 83.43 H +ATOM 1960 HD21 LEU H 18 99.506 102.777 84.259 1.00 83.43 H +ATOM 1961 HD22 LEU H 18 99.394 101.857 82.969 1.00 83.43 H +ATOM 1962 HD23 LEU H 18 100.823 102.290 83.513 1.00 83.43 H +ATOM 1963 N ARG H 19 100.549 106.654 81.392 1.00 81.77 N +ATOM 1964 CA ARG H 19 101.080 107.826 82.075 1.00 81.77 C +ATOM 1965 C ARG H 19 100.534 107.854 83.491 1.00 81.77 C +ATOM 1966 O ARG H 19 99.324 107.712 83.692 1.00 81.77 O +ATOM 1967 CB ARG H 19 100.691 109.101 81.323 1.00 81.77 C +ATOM 1968 CG ARG H 19 101.240 110.393 81.891 1.00 81.77 C +ATOM 1969 CD ARG H 19 100.962 111.529 80.918 1.00 81.77 C +ATOM 1970 NE ARG H 19 100.757 112.818 81.569 1.00 81.77 N +ATOM 1971 CZ ARG H 19 99.702 113.135 82.310 1.00 81.77 C +ATOM 1972 NH1 ARG H 19 98.748 112.256 82.579 1.00 81.77 N1+ +ATOM 1973 NH2 ARG H 19 99.599 114.368 82.793 1.00 81.77 N +ATOM 1974 H ARG H 19 99.699 106.572 81.468 1.00 81.77 H +ATOM 1975 HA ARG H 19 102.045 107.784 82.125 1.00 81.77 H +ATOM 1976 HB2 ARG H 19 101.009 109.026 80.411 1.00 81.77 H +ATOM 1977 HB3 ARG H 19 99.724 109.172 81.323 1.00 81.77 H +ATOM 1978 HG2 ARG H 19 100.811 110.586 82.738 1.00 81.77 H +ATOM 1979 HG3 ARG H 19 102.200 110.314 82.005 1.00 81.77 H +ATOM 1980 HD2 ARG H 19 101.717 111.617 80.314 1.00 81.77 H +ATOM 1981 HD3 ARG H 19 100.160 111.321 80.413 1.00 81.77 H +ATOM 1982 HE ARG H 19 101.364 113.417 81.465 1.00 81.77 H +ATOM 1983 HH11 ARG H 19 98.789 111.452 82.280 1.00 81.77 H +ATOM 1984 HH12 ARG H 19 98.079 112.493 83.065 1.00 81.77 H +ATOM 1985 HH21 ARG H 19 100.210 114.946 82.620 1.00 81.77 H +ATOM 1986 HH22 ARG H 19 98.922 114.588 83.275 1.00 81.77 H +ATOM 1987 N LEU H 20 101.422 108.038 84.463 1.00 80.21 N +ATOM 1988 CA LEU H 20 101.055 108.072 85.869 1.00 80.21 C +ATOM 1989 C LEU H 20 101.094 109.505 86.368 1.00 80.21 C +ATOM 1990 O LEU H 20 101.616 110.404 85.699 1.00 80.21 O +ATOM 1991 CB LEU H 20 102.023 107.238 86.708 1.00 80.21 C +ATOM 1992 CG LEU H 20 102.162 105.772 86.333 1.00 80.21 C +ATOM 1993 CD1 LEU H 20 103.457 105.584 85.590 1.00 80.21 C +ATOM 1994 CD2 LEU H 20 102.124 104.902 87.529 1.00 80.21 C +ATOM 1995 H LEU H 20 102.264 108.150 84.327 1.00 80.21 H +ATOM 1996 HA LEU H 20 100.162 107.720 85.999 1.00 80.21 H +ATOM 1997 HB2 LEU H 20 102.899 107.649 86.653 1.00 80.21 H +ATOM 1998 HB3 LEU H 20 101.719 107.258 87.629 1.00 80.21 H +ATOM 1999 HG LEU H 20 101.433 105.519 85.746 1.00 80.21 H +ATOM 2000 HD11 LEU H 20 103.550 104.646 85.374 1.00 80.21 H +ATOM 2001 HD12 LEU H 20 103.430 106.123 84.786 1.00 80.21 H +ATOM 2002 HD13 LEU H 20 104.199 105.855 86.154 1.00 80.21 H +ATOM 2003 HD21 LEU H 20 102.361 103.998 87.277 1.00 80.21 H +ATOM 2004 HD22 LEU H 20 102.760 105.240 88.178 1.00 80.21 H +ATOM 2005 HD23 LEU H 20 101.228 104.922 87.899 1.00 80.21 H +ATOM 2006 N SER H 21 100.665 109.674 87.617 1.00 82.97 N +ATOM 2007 CA SER H 21 100.683 110.969 88.275 1.00 82.97 C +ATOM 2008 C SER H 21 100.991 110.749 89.746 1.00 82.97 C +ATOM 2009 O SER H 21 100.694 109.689 90.295 1.00 82.97 O +ATOM 2010 CB SER H 21 99.351 111.709 88.110 1.00 82.97 C +ATOM 2011 OG SER H 21 98.921 111.690 86.759 1.00 82.97 O +ATOM 2012 H SER H 21 100.355 109.040 88.109 1.00 82.97 H +ATOM 2013 HA SER H 21 101.387 111.518 87.899 1.00 82.97 H +ATOM 2014 HB2 SER H 21 98.680 111.276 88.660 1.00 82.97 H +ATOM 2015 HB3 SER H 21 99.466 112.630 88.392 1.00 82.97 H +ATOM 2016 HG SER H 21 99.509 112.027 86.264 1.00 82.97 H +ATOM 2017 N CYS H 22 101.653 111.725 90.358 1.00 86.69 N +ATOM 2018 CA CYS H 22 101.830 111.758 91.802 1.00 86.69 C +ATOM 2019 C CYS H 22 101.309 113.094 92.313 1.00 86.69 C +ATOM 2020 O CYS H 22 101.685 114.154 91.801 1.00 86.69 O +ATOM 2021 CB CYS H 22 103.314 111.545 92.159 1.00 86.69 C +ATOM 2022 SG CYS H 22 103.735 111.413 93.918 1.00 86.69 S +ATOM 2023 H CYS H 22 102.015 112.391 89.951 1.00 86.69 H +ATOM 2024 HA CYS H 22 101.312 111.059 92.224 1.00 86.69 H +ATOM 2025 HB2 CYS H 22 103.612 110.728 91.731 1.00 86.69 H +ATOM 2026 HB3 CYS H 22 103.818 112.291 91.806 1.00 86.69 H +ATOM 2027 N ALA H 23 100.438 113.031 93.316 1.00 82.17 N +ATOM 2028 CA ALA H 23 99.894 114.194 93.999 1.00 82.17 C +ATOM 2029 C ALA H 23 100.768 114.536 95.194 1.00 82.17 C +ATOM 2030 O ALA H 23 101.125 113.652 95.975 1.00 82.17 O +ATOM 2031 CB ALA H 23 98.459 113.932 94.452 1.00 82.17 C +ATOM 2032 H ALA H 23 100.136 112.290 93.630 1.00 82.17 H +ATOM 2033 HA ALA H 23 99.890 114.953 93.395 1.00 82.17 H +ATOM 2034 HB1 ALA H 23 98.121 114.721 94.904 1.00 82.17 H +ATOM 2035 HB2 ALA H 23 97.913 113.737 93.674 1.00 82.17 H +ATOM 2036 HB3 ALA H 23 98.453 113.175 95.059 1.00 82.17 H +ATOM 2037 N ALA H 24 101.097 115.812 95.333 1.00 89.58 N +ATOM 2038 CA ALA H 24 101.929 116.324 96.409 1.00 89.58 C +ATOM 2039 C ALA H 24 101.078 117.173 97.339 1.00 89.58 C +ATOM 2040 O ALA H 24 100.088 117.774 96.912 1.00 89.58 O +ATOM 2041 CB ALA H 24 103.092 117.156 95.863 1.00 89.58 C +ATOM 2042 H ALA H 24 100.837 116.426 94.791 1.00 89.58 H +ATOM 2043 HA ALA H 24 102.292 115.593 96.927 1.00 89.58 H +ATOM 2044 HB1 ALA H 24 103.593 117.523 96.607 1.00 89.58 H +ATOM 2045 HB2 ALA H 24 103.663 116.585 95.325 1.00 89.58 H +ATOM 2046 HB3 ALA H 24 102.735 117.876 95.319 1.00 89.58 H +ATOM 2047 N SER H 25 101.463 117.233 98.614 1.00 96.59 N +ATOM 2048 CA SER H 25 100.651 118.015 99.535 1.00 96.59 C +ATOM 2049 C SER H 25 101.390 118.199 100.848 1.00 96.59 C +ATOM 2050 O SER H 25 102.109 117.304 101.293 1.00 96.59 O +ATOM 2051 CB SER H 25 99.302 117.329 99.792 1.00 96.59 C +ATOM 2052 OG SER H 25 99.486 116.026 100.317 1.00 96.59 O +ATOM 2053 H SER H 25 102.154 116.850 98.954 1.00 96.59 H +ATOM 2054 HA SER H 25 100.482 118.891 99.154 1.00 96.59 H +ATOM 2055 HB2 SER H 25 98.805 117.855 100.438 1.00 96.59 H +ATOM 2056 HB3 SER H 25 98.798 117.268 98.966 1.00 96.59 H +ATOM 2057 HG SER H 25 99.825 116.067 101.084 1.00 96.59 H +ATOM 2058 N GLY H 26 101.226 119.386 101.436 1.00 91.79 N +ATOM 2059 CA GLY H 26 101.856 119.745 102.689 1.00 91.79 C +ATOM 2060 C GLY H 26 103.137 120.541 102.566 1.00 91.79 C +ATOM 2061 O GLY H 26 103.679 120.964 103.594 1.00 91.79 O +ATOM 2062 H GLY H 26 100.735 120.013 101.112 1.00 91.79 H +ATOM 2063 HA2 GLY H 26 101.231 120.280 103.202 1.00 91.79 H +ATOM 2064 HA3 GLY H 26 102.041 118.946 103.198 1.00 91.79 H +ATOM 2065 N PHE H 27 103.636 120.762 101.351 1.00 86.45 N +ATOM 2066 CA PHE H 27 104.933 121.391 101.141 1.00 86.45 C +ATOM 2067 C PHE H 27 104.907 122.179 99.837 1.00 86.45 C +ATOM 2068 O PHE H 27 103.965 122.086 99.047 1.00 86.45 O +ATOM 2069 CB PHE H 27 106.041 120.313 101.233 1.00 86.45 C +ATOM 2070 CG PHE H 27 106.108 119.356 100.053 1.00 86.45 C +ATOM 2071 CD1 PHE H 27 106.551 119.735 98.793 1.00 86.45 C +ATOM 2072 CD2 PHE H 27 105.680 118.053 100.228 1.00 86.45 C +ATOM 2073 CE1 PHE H 27 106.576 118.834 97.753 1.00 86.45 C +ATOM 2074 CE2 PHE H 27 105.706 117.152 99.192 1.00 86.45 C +ATOM 2075 CZ PHE H 27 106.150 117.542 97.956 1.00 86.45 C +ATOM 2076 H PHE H 27 103.235 120.556 100.619 1.00 86.45 H +ATOM 2077 HA PHE H 27 105.092 122.029 101.853 1.00 86.45 H +ATOM 2078 HB2 PHE H 27 106.899 120.761 101.292 1.00 86.45 H +ATOM 2079 HB3 PHE H 27 105.894 119.783 102.033 1.00 86.45 H +ATOM 2080 HD1 PHE H 27 106.837 120.606 98.654 1.00 86.45 H +ATOM 2081 HD2 PHE H 27 105.375 117.780 101.063 1.00 86.45 H +ATOM 2082 HE1 PHE H 27 106.880 119.098 96.914 1.00 86.45 H +ATOM 2083 HE2 PHE H 27 105.419 116.278 99.328 1.00 86.45 H +ATOM 2084 HZ PHE H 27 106.169 116.930 97.256 1.00 86.45 H +ATOM 2085 N THR H 28 105.967 122.957 99.620 1.00 85.08 N +ATOM 2086 CA THR H 28 106.117 123.740 98.397 1.00 85.08 C +ATOM 2087 C THR H 28 106.602 122.824 97.281 1.00 85.08 C +ATOM 2088 O THR H 28 107.731 122.326 97.324 1.00 85.08 O +ATOM 2089 CB THR H 28 107.084 124.897 98.614 1.00 85.08 C +ATOM 2090 OG1 THR H 28 106.758 125.569 99.837 1.00 85.08 O +ATOM 2091 CG2 THR H 28 106.995 125.885 97.463 1.00 85.08 C +ATOM 2092 H THR H 28 106.620 123.048 100.173 1.00 85.08 H +ATOM 2093 HA THR H 28 105.255 124.103 98.141 1.00 85.08 H +ATOM 2094 HB THR H 28 107.992 124.559 98.661 1.00 85.08 H +ATOM 2095 HG1 THR H 28 107.286 126.210 99.962 1.00 85.08 H +ATOM 2096 HG21 THR H 28 107.531 126.670 97.658 1.00 85.08 H +ATOM 2097 HG22 THR H 28 107.321 125.477 96.646 1.00 85.08 H +ATOM 2098 HG23 THR H 28 106.074 126.161 97.332 1.00 85.08 H +ATOM 2099 N PHE H 29 105.750 122.603 96.280 1.00 80.13 N +ATOM 2100 CA PHE H 29 106.085 121.663 95.217 1.00 80.13 C +ATOM 2101 C PHE H 29 107.279 122.141 94.403 1.00 80.13 C +ATOM 2102 O PHE H 29 108.194 121.363 94.112 1.00 80.13 O +ATOM 2103 CB PHE H 29 104.873 121.452 94.310 1.00 80.13 C +ATOM 2104 CG PHE H 29 105.050 120.360 93.286 1.00 80.13 C +ATOM 2105 CD1 PHE H 29 105.483 119.097 93.651 1.00 80.13 C +ATOM 2106 CD2 PHE H 29 104.765 120.599 91.955 1.00 80.13 C +ATOM 2107 CE1 PHE H 29 105.634 118.103 92.711 1.00 80.13 C +ATOM 2108 CE2 PHE H 29 104.916 119.607 91.012 1.00 80.13 C +ATOM 2109 CZ PHE H 29 105.351 118.359 91.390 1.00 80.13 C +ATOM 2110 H PHE H 29 104.981 122.979 96.196 1.00 80.13 H +ATOM 2111 HA PHE H 29 106.325 120.823 95.636 1.00 80.13 H +ATOM 2112 HB2 PHE H 29 104.107 121.226 94.859 1.00 80.13 H +ATOM 2113 HB3 PHE H 29 104.701 122.278 93.831 1.00 80.13 H +ATOM 2114 HD1 PHE H 29 105.675 118.919 94.544 1.00 80.13 H +ATOM 2115 HD2 PHE H 29 104.471 121.442 91.693 1.00 80.13 H +ATOM 2116 HE1 PHE H 29 105.927 117.260 92.969 1.00 80.13 H +ATOM 2117 HE2 PHE H 29 104.724 119.782 90.119 1.00 80.13 H +ATOM 2118 HZ PHE H 29 105.453 117.689 90.754 1.00 80.13 H +ATOM 2119 N SER H 30 107.297 123.421 94.038 1.00 84.21 N +ATOM 2120 CA SER H 30 108.264 123.947 93.084 1.00 84.21 C +ATOM 2121 C SER H 30 109.605 124.293 93.708 1.00 84.21 C +ATOM 2122 O SER H 30 110.374 125.021 93.071 1.00 84.21 O +ATOM 2123 CB SER H 30 107.707 125.195 92.398 1.00 84.21 C +ATOM 2124 OG SER H 30 108.660 125.730 91.497 1.00 84.21 O +ATOM 2125 H SER H 30 106.747 124.012 94.334 1.00 84.21 H +ATOM 2126 HA SER H 30 108.422 123.279 92.398 1.00 84.21 H +ATOM 2127 HB2 SER H 30 106.899 124.972 91.915 1.00 84.21 H +ATOM 2128 HB3 SER H 30 107.511 125.861 93.075 1.00 84.21 H +ATOM 2129 HG SER H 30 108.348 126.407 91.112 1.00 84.21 H +ATOM 2130 N SER H 31 109.893 123.828 94.925 1.00 81.91 N +ATOM 2131 CA SER H 31 111.171 124.079 95.574 1.00 81.91 C +ATOM 2132 C SER H 31 112.023 122.831 95.760 1.00 81.91 C +ATOM 2133 O SER H 31 113.203 122.961 96.103 1.00 81.91 O +ATOM 2134 CB SER H 31 110.935 124.727 96.945 1.00 81.91 C +ATOM 2135 OG SER H 31 112.144 124.840 97.669 1.00 81.91 O +ATOM 2136 H SER H 31 109.357 123.360 95.405 1.00 81.91 H +ATOM 2137 HA SER H 31 111.696 124.707 95.057 1.00 81.91 H +ATOM 2138 HB2 SER H 31 110.560 125.613 96.817 1.00 81.91 H +ATOM 2139 HB3 SER H 31 110.317 124.176 97.450 1.00 81.91 H +ATOM 2140 HG SER H 31 112.529 125.560 97.474 1.00 81.91 H +ATOM 2141 N TYR H 32 111.469 121.636 95.545 1.00 78.42 N +ATOM 2142 CA TYR H 32 112.174 120.369 95.703 1.00 78.42 C +ATOM 2143 C TYR H 32 112.166 119.604 94.389 1.00 78.42 C +ATOM 2144 O TYR H 32 111.244 119.736 93.580 1.00 78.42 O +ATOM 2145 CB TYR H 32 111.533 119.477 96.783 1.00 78.42 C +ATOM 2146 CG TYR H 32 111.405 120.050 98.181 1.00 78.42 C +ATOM 2147 CD1 TYR H 32 112.036 121.227 98.557 1.00 78.42 C +ATOM 2148 CD2 TYR H 32 110.560 119.455 99.100 1.00 78.42 C +ATOM 2149 CE1 TYR H 32 111.889 121.744 99.822 1.00 78.42 C +ATOM 2150 CE2 TYR H 32 110.398 119.979 100.361 1.00 78.42 C +ATOM 2151 CZ TYR H 32 111.064 121.121 100.720 1.00 78.42 C +ATOM 2152 OH TYR H 32 110.906 121.645 101.982 1.00 78.42 O +ATOM 2153 H TYR H 32 110.652 121.529 95.300 1.00 78.42 H +ATOM 2154 HA TYR H 32 113.098 120.525 95.948 1.00 78.42 H +ATOM 2155 HB2 TYR H 32 110.644 119.229 96.488 1.00 78.42 H +ATOM 2156 HB3 TYR H 32 112.075 118.677 96.860 1.00 78.42 H +ATOM 2157 HD1 TYR H 32 112.610 121.649 97.965 1.00 78.42 H +ATOM 2158 HD2 TYR H 32 110.106 118.678 98.865 1.00 78.42 H +ATOM 2159 HE1 TYR H 32 112.337 122.518 100.065 1.00 78.42 H +ATOM 2160 HE2 TYR H 32 109.837 119.560 100.966 1.00 78.42 H +ATOM 2161 HH TYR H 32 110.401 121.151 102.437 1.00 78.42 H +ATOM 2162 N GLY H 33 113.203 118.796 94.191 1.00 74.16 N +ATOM 2163 CA GLY H 33 113.236 117.895 93.062 1.00 74.16 C +ATOM 2164 C GLY H 33 112.434 116.640 93.325 1.00 74.16 C +ATOM 2165 O GLY H 33 112.192 116.263 94.470 1.00 74.16 O +ATOM 2166 H GLY H 33 113.895 118.754 94.700 1.00 74.16 H +ATOM 2167 HA2 GLY H 33 112.887 118.336 92.273 1.00 74.16 H +ATOM 2168 HA3 GLY H 33 114.154 117.638 92.886 1.00 74.16 H +ATOM 2169 N MET H 34 112.009 115.989 92.244 1.00 74.86 N +ATOM 2170 CA MET H 34 111.204 114.776 92.344 1.00 74.86 C +ATOM 2171 C MET H 34 111.828 113.656 91.534 1.00 74.86 C +ATOM 2172 O MET H 34 112.447 113.888 90.500 1.00 74.86 O +ATOM 2173 CB MET H 34 109.766 115.006 91.872 1.00 74.86 C +ATOM 2174 CG MET H 34 108.958 115.961 92.730 1.00 74.86 C +ATOM 2175 SD MET H 34 108.706 115.330 94.394 1.00 74.86 S +ATOM 2176 CE MET H 34 107.966 116.738 95.195 1.00 74.86 C +ATOM 2177 H MET H 34 112.175 116.232 91.436 1.00 74.86 H +ATOM 2178 HA MET H 34 111.169 114.466 93.258 1.00 74.86 H +ATOM 2179 HB2 MET H 34 109.782 115.357 90.968 1.00 74.86 H +ATOM 2180 HB3 MET H 34 109.318 114.150 91.888 1.00 74.86 H +ATOM 2181 HG2 MET H 34 109.431 116.798 92.816 1.00 74.86 H +ATOM 2182 HG3 MET H 34 108.090 116.105 92.323 1.00 74.86 H +ATOM 2183 HE1 MET H 34 108.067 116.620 96.150 1.00 74.86 H +ATOM 2184 HE2 MET H 34 108.429 117.542 94.912 1.00 74.86 H +ATOM 2185 HE3 MET H 34 107.028 116.789 94.954 1.00 74.86 H +ATOM 2186 N HIS H 35 111.697 112.437 92.045 1.00 71.85 N +ATOM 2187 CA HIS H 35 112.230 111.251 91.399 1.00 71.85 C +ATOM 2188 C HIS H 35 111.111 110.238 91.210 1.00 71.85 C +ATOM 2189 O HIS H 35 110.063 110.317 91.846 1.00 71.85 O +ATOM 2190 CB HIS H 35 113.377 110.622 92.205 1.00 71.85 C +ATOM 2191 CG HIS H 35 114.432 111.594 92.639 1.00 71.85 C +ATOM 2192 ND1 HIS H 35 115.733 111.525 92.195 1.00 71.85 N +ATOM 2193 CD2 HIS H 35 114.397 112.610 93.534 1.00 71.85 C +ATOM 2194 CE1 HIS H 35 116.445 112.478 92.771 1.00 71.85 C +ATOM 2195 NE2 HIS H 35 115.656 113.154 93.583 1.00 71.85 N +ATOM 2196 H HIS H 35 111.293 112.270 92.785 1.00 71.85 H +ATOM 2197 HA HIS H 35 112.571 111.468 90.521 1.00 71.85 H +ATOM 2198 HB2 HIS H 35 113.006 110.214 93.003 1.00 71.85 H +ATOM 2199 HB3 HIS H 35 113.805 109.943 91.660 1.00 71.85 H +ATOM 2200 HD2 HIS H 35 113.652 112.901 94.009 1.00 71.85 H +ATOM 2201 HE1 HIS H 35 117.347 112.647 92.622 1.00 71.85 H +ATOM 2202 HE2 HIS H 35 115.894 113.823 94.069 1.00 71.85 H +ATOM 2203 N TRP H 36 111.326 109.319 90.279 1.00 74.46 N +ATOM 2204 CA TRP H 36 110.507 108.124 90.120 1.00 74.46 C +ATOM 2205 C TRP H 36 111.416 106.918 90.270 1.00 74.46 C +ATOM 2206 O TRP H 36 112.401 106.797 89.527 1.00 74.46 O +ATOM 2207 CB TRP H 36 109.799 108.104 88.771 1.00 74.46 C +ATOM 2208 CG TRP H 36 108.560 108.909 88.767 1.00 74.46 C +ATOM 2209 CD1 TRP H 36 108.470 110.249 88.586 1.00 74.46 C +ATOM 2210 CD2 TRP H 36 107.221 108.433 88.932 1.00 74.46 C +ATOM 2211 NE1 TRP H 36 107.161 110.645 88.630 1.00 74.46 N +ATOM 2212 CE2 TRP H 36 106.372 109.548 88.846 1.00 74.46 C +ATOM 2213 CE3 TRP H 36 106.658 107.175 89.149 1.00 74.46 C +ATOM 2214 CZ2 TRP H 36 104.993 109.446 88.972 1.00 74.46 C +ATOM 2215 CZ3 TRP H 36 105.288 107.078 89.272 1.00 74.46 C +ATOM 2216 CH2 TRP H 36 104.472 108.204 89.184 1.00 74.46 C +ATOM 2217 H TRP H 36 111.963 109.368 89.703 1.00 74.46 H +ATOM 2218 HA TRP H 36 109.834 108.084 90.817 1.00 74.46 H +ATOM 2219 HB2 TRP H 36 110.394 108.465 88.095 1.00 74.46 H +ATOM 2220 HB3 TRP H 36 109.563 107.189 88.551 1.00 74.46 H +ATOM 2221 HD1 TRP H 36 109.193 110.816 88.448 1.00 74.46 H +ATOM 2222 HE1 TRP H 36 106.882 111.449 88.543 1.00 74.46 H +ATOM 2223 HE3 TRP H 36 107.195 106.419 89.213 1.00 74.46 H +ATOM 2224 HZ2 TRP H 36 104.446 110.196 88.911 1.00 74.46 H +ATOM 2225 HZ3 TRP H 36 104.900 106.246 89.419 1.00 74.46 H +ATOM 2226 HH2 TRP H 36 103.551 108.106 89.270 1.00 74.46 H +ATOM 2227 N VAL H 37 111.126 106.084 91.271 1.00 73.26 N +ATOM 2228 CA VAL H 37 111.852 104.850 91.554 1.00 73.26 C +ATOM 2229 C VAL H 37 110.883 103.692 91.382 1.00 73.26 C +ATOM 2230 O VAL H 37 109.785 103.730 91.936 1.00 73.26 O +ATOM 2231 CB VAL H 37 112.418 104.835 92.984 1.00 73.26 C +ATOM 2232 CG1 VAL H 37 113.206 103.558 93.223 1.00 73.26 C +ATOM 2233 CG2 VAL H 37 113.264 106.055 93.252 1.00 73.26 C +ATOM 2234 H VAL H 37 110.481 106.221 91.823 1.00 73.26 H +ATOM 2235 HA VAL H 37 112.583 104.740 90.926 1.00 73.26 H +ATOM 2236 HB VAL H 37 111.678 104.846 93.611 1.00 73.26 H +ATOM 2237 HG11 VAL H 37 113.797 103.688 93.981 1.00 73.26 H +ATOM 2238 HG12 VAL H 37 112.591 102.831 93.412 1.00 73.26 H +ATOM 2239 HG13 VAL H 37 113.729 103.355 92.432 1.00 73.26 H +ATOM 2240 HG21 VAL H 37 113.568 106.002 94.170 1.00 73.26 H +ATOM 2241 HG22 VAL H 37 114.021 106.059 92.646 1.00 73.26 H +ATOM 2242 HG23 VAL H 37 112.738 106.861 93.139 1.00 73.26 H +ATOM 2243 N ARG H 38 111.298 102.644 90.677 1.00 74.01 N +ATOM 2244 CA ARG H 38 110.429 101.503 90.421 1.00 74.01 C +ATOM 2245 C ARG H 38 110.984 100.269 91.114 1.00 74.01 C +ATOM 2246 O ARG H 38 112.191 100.016 91.080 1.00 74.01 O +ATOM 2247 CB ARG H 38 110.265 101.242 88.919 1.00 74.01 C +ATOM 2248 CG ARG H 38 111.435 100.588 88.202 1.00 74.01 C +ATOM 2249 CD ARG H 38 111.118 100.426 86.729 1.00 74.01 C +ATOM 2250 NE ARG H 38 112.306 100.093 85.954 1.00 74.01 N +ATOM 2251 CZ ARG H 38 112.366 100.079 84.629 1.00 74.01 C +ATOM 2252 NH1 ARG H 38 111.312 100.363 83.879 1.00 74.01 N1+ +ATOM 2253 NH2 ARG H 38 113.515 99.767 84.038 1.00 74.01 N +ATOM 2254 H ARG H 38 112.083 102.570 90.335 1.00 74.01 H +ATOM 2255 HA ARG H 38 109.541 101.651 90.775 1.00 74.01 H +ATOM 2256 HB2 ARG H 38 109.496 100.666 88.795 1.00 74.01 H +ATOM 2257 HB3 ARG H 38 110.095 102.092 88.488 1.00 74.01 H +ATOM 2258 HG2 ARG H 38 112.226 101.143 88.291 1.00 74.01 H +ATOM 2259 HG3 ARG H 38 111.604 99.698 88.548 1.00 74.01 H +ATOM 2260 HD2 ARG H 38 110.474 99.708 86.621 1.00 74.01 H +ATOM 2261 HD3 ARG H 38 110.753 101.256 86.385 1.00 74.01 H +ATOM 2262 HE ARG H 38 112.901 99.631 86.363 1.00 74.01 H +ATOM 2263 HH11 ARG H 38 110.558 100.568 84.233 1.00 74.01 H +ATOM 2264 HH12 ARG H 38 111.386 100.344 83.023 1.00 74.01 H +ATOM 2265 HH21 ARG H 38 114.206 99.578 84.515 1.00 74.01 H +ATOM 2266 HH22 ARG H 38 113.568 99.752 83.179 1.00 74.01 H +ATOM 2267 N GLN H 39 110.089 99.504 91.737 1.00 77.84 N +ATOM 2268 CA GLN H 39 110.432 98.329 92.538 1.00 77.84 C +ATOM 2269 C GLN H 39 109.809 97.116 91.858 1.00 77.84 C +ATOM 2270 O GLN H 39 108.622 96.840 92.039 1.00 77.84 O +ATOM 2271 CB GLN H 39 109.951 98.462 93.968 1.00 77.84 C +ATOM 2272 CG GLN H 39 110.302 97.260 94.820 1.00 77.84 C +ATOM 2273 CD GLN H 39 110.238 97.551 96.301 1.00 77.84 C +ATOM 2274 OE1 GLN H 39 109.426 98.355 96.754 1.00 77.84 O +ATOM 2275 NE2 GLN H 39 111.110 96.908 97.067 1.00 77.84 N +ATOM 2276 H GLN H 39 109.243 99.654 91.711 1.00 77.84 H +ATOM 2277 HA GLN H 39 111.394 98.204 92.556 1.00 77.84 H +ATOM 2278 HB2 GLN H 39 110.362 99.245 94.368 1.00 77.84 H +ATOM 2279 HB3 GLN H 39 108.986 98.558 93.967 1.00 77.84 H +ATOM 2280 HG2 GLN H 39 109.673 96.547 94.631 1.00 77.84 H +ATOM 2281 HG3 GLN H 39 111.203 96.972 94.607 1.00 77.84 H +ATOM 2282 HE21 GLN H 39 111.666 96.355 96.714 1.00 77.84 H +ATOM 2283 HE22 GLN H 39 111.116 97.040 97.917 1.00 77.84 H +ATOM 2284 N ALA H 40 110.584 96.452 91.004 1.00 79.20 N +ATOM 2285 CA ALA H 40 110.066 95.306 90.277 1.00 79.20 C +ATOM 2286 C ALA H 40 109.727 94.184 91.260 1.00 79.20 C +ATOM 2287 O ALA H 40 110.347 94.087 92.323 1.00 79.20 O +ATOM 2288 CB ALA H 40 111.091 94.819 89.255 1.00 79.20 C +ATOM 2289 H ALA H 40 111.404 96.646 90.831 1.00 79.20 H +ATOM 2290 HA ALA H 40 109.280 95.589 89.799 1.00 79.20 H +ATOM 2291 HB1 ALA H 40 110.763 94.018 88.822 1.00 79.20 H +ATOM 2292 HB2 ALA H 40 111.233 95.516 88.596 1.00 79.20 H +ATOM 2293 HB3 ALA H 40 111.922 94.624 89.715 1.00 79.20 H +ATOM 2294 N PRO H 41 108.720 93.357 90.956 1.00 77.04 N +ATOM 2295 CA PRO H 41 108.286 92.325 91.917 1.00 77.04 C +ATOM 2296 C PRO H 41 109.421 91.413 92.353 1.00 77.04 C +ATOM 2297 O PRO H 41 110.104 90.802 91.530 1.00 77.04 O +ATOM 2298 CB PRO H 41 107.208 91.557 91.143 1.00 77.04 C +ATOM 2299 CG PRO H 41 107.501 91.822 89.718 1.00 77.04 C +ATOM 2300 CD PRO H 41 107.989 93.229 89.682 1.00 77.04 C +ATOM 2301 HA PRO H 41 107.886 92.739 92.698 1.00 77.04 H +ATOM 2302 HB2 PRO H 41 107.280 90.609 91.336 1.00 77.04 H +ATOM 2303 HB3 PRO H 41 106.330 91.892 91.381 1.00 77.04 H +ATOM 2304 HG2 PRO H 41 108.188 91.212 89.405 1.00 77.04 H +ATOM 2305 HG3 PRO H 41 106.691 91.726 89.194 1.00 77.04 H +ATOM 2306 HD2 PRO H 41 108.576 93.356 88.923 1.00 77.04 H +ATOM 2307 HD3 PRO H 41 107.240 93.844 89.659 1.00 77.04 H +ATOM 2308 N GLY H 42 109.620 91.330 93.663 1.00 78.82 N +ATOM 2309 CA GLY H 42 110.602 90.427 94.220 1.00 78.82 C +ATOM 2310 C GLY H 42 112.036 90.888 94.099 1.00 78.82 C +ATOM 2311 O GLY H 42 112.944 90.103 94.395 1.00 78.82 O +ATOM 2312 H GLY H 42 109.193 91.791 94.250 1.00 78.82 H +ATOM 2313 HA2 GLY H 42 110.410 90.297 95.161 1.00 78.82 H +ATOM 2314 HA3 GLY H 42 110.526 89.568 93.776 1.00 78.82 H +ATOM 2315 N LYS H 43 112.270 92.128 93.672 1.00 82.31 N +ATOM 2316 CA LYS H 43 113.604 92.650 93.410 1.00 82.31 C +ATOM 2317 C LYS H 43 113.810 93.926 94.215 1.00 82.31 C +ATOM 2318 O LYS H 43 112.948 94.348 94.992 1.00 82.31 O +ATOM 2319 CB LYS H 43 113.811 92.905 91.910 1.00 82.31 C +ATOM 2320 CG LYS H 43 113.547 91.700 90.999 1.00 82.31 C +ATOM 2321 CD LYS H 43 114.533 90.550 91.211 1.00 82.31 C +ATOM 2322 CE LYS H 43 113.884 89.204 90.944 1.00 82.31 C +ATOM 2323 NZ LYS H 43 113.136 88.694 92.125 1.00 82.31 N1+ +ATOM 2324 H LYS H 43 111.652 92.706 93.522 1.00 82.31 H +ATOM 2325 HA LYS H 43 114.276 92.024 93.712 1.00 82.31 H +ATOM 2326 HB2 LYS H 43 113.213 93.617 91.633 1.00 82.31 H +ATOM 2327 HB3 LYS H 43 114.730 93.177 91.762 1.00 82.31 H +ATOM 2328 HG2 LYS H 43 112.653 91.364 91.165 1.00 82.31 H +ATOM 2329 HG3 LYS H 43 113.622 91.986 90.075 1.00 82.31 H +ATOM 2330 HD2 LYS H 43 115.270 90.652 90.588 1.00 82.31 H +ATOM 2331 HD3 LYS H 43 114.869 90.541 92.117 1.00 82.31 H +ATOM 2332 HE2 LYS H 43 113.260 89.291 90.206 1.00 82.31 H +ATOM 2333 HE3 LYS H 43 114.573 88.558 90.723 1.00 82.31 H +ATOM 2334 HZ1 LYS H 43 113.010 87.816 92.049 1.00 82.31 H +ATOM 2335 HZ2 LYS H 43 113.595 88.856 92.870 1.00 82.31 H +ATOM 2336 HZ3 LYS H 43 112.345 89.096 92.179 1.00 82.31 H +ATOM 2337 N GLY H 44 114.975 94.544 94.018 1.00 83.36 N +ATOM 2338 CA GLY H 44 115.338 95.745 94.735 1.00 83.36 C +ATOM 2339 C GLY H 44 114.919 97.003 94.001 1.00 83.36 C +ATOM 2340 O GLY H 44 114.320 96.971 92.928 1.00 83.36 O +ATOM 2341 H GLY H 44 115.575 94.276 93.464 1.00 83.36 H +ATOM 2342 HA2 GLY H 44 114.923 95.744 95.611 1.00 83.36 H +ATOM 2343 HA3 GLY H 44 116.300 95.768 94.855 1.00 83.36 H +ATOM 2344 N LEU H 45 115.250 98.137 94.609 1.00 78.49 N +ATOM 2345 CA LEU H 45 114.846 99.430 94.083 1.00 78.49 C +ATOM 2346 C LEU H 45 115.753 99.833 92.930 1.00 78.49 C +ATOM 2347 O LEU H 45 116.968 99.631 92.981 1.00 78.49 O +ATOM 2348 CB LEU H 45 114.904 100.487 95.186 1.00 78.49 C +ATOM 2349 CG LEU H 45 113.847 100.451 96.299 1.00 78.49 C +ATOM 2350 CD1 LEU H 45 113.903 99.183 97.131 1.00 78.49 C +ATOM 2351 CD2 LEU H 45 114.020 101.647 97.208 1.00 78.49 C +ATOM 2352 H LEU H 45 115.714 98.181 95.332 1.00 78.49 H +ATOM 2353 HA LEU H 45 113.936 99.377 93.755 1.00 78.49 H +ATOM 2354 HB2 LEU H 45 115.769 100.414 95.619 1.00 78.49 H +ATOM 2355 HB3 LEU H 45 114.838 101.354 94.758 1.00 78.49 H +ATOM 2356 HG LEU H 45 112.966 100.505 95.896 1.00 78.49 H +ATOM 2357 HD11 LEU H 45 113.390 99.317 97.943 1.00 78.49 H +ATOM 2358 HD12 LEU H 45 113.521 98.454 96.618 1.00 78.49 H +ATOM 2359 HD13 LEU H 45 114.827 98.989 97.349 1.00 78.49 H +ATOM 2360 HD21 LEU H 45 113.240 101.724 97.778 1.00 78.49 H +ATOM 2361 HD22 LEU H 45 114.815 101.518 97.748 1.00 78.49 H +ATOM 2362 HD23 LEU H 45 114.114 102.444 96.665 1.00 78.49 H +ATOM 2363 N GLU H 46 115.153 100.398 91.883 1.00 77.96 N +ATOM 2364 CA GLU H 46 115.882 100.838 90.696 1.00 77.96 C +ATOM 2365 C GLU H 46 115.358 102.218 90.328 1.00 77.96 C +ATOM 2366 O GLU H 46 114.196 102.358 89.938 1.00 77.96 O +ATOM 2367 CB GLU H 46 115.734 99.825 89.550 1.00 77.96 C +ATOM 2368 CG GLU H 46 115.944 100.323 88.094 1.00 77.96 C +ATOM 2369 CD GLU H 46 115.379 99.364 87.056 1.00 77.96 C +ATOM 2370 OE1 GLU H 46 114.827 98.309 87.435 1.00 77.96 O +ATOM 2371 OE2 GLU H 46 115.495 99.667 85.849 1.00 77.96 O1- +ATOM 2372 H GLU H 46 114.307 100.543 91.837 1.00 77.96 H +ATOM 2373 HA GLU H 46 116.825 100.927 90.900 1.00 77.96 H +ATOM 2374 HB2 GLU H 46 116.369 99.108 89.700 1.00 77.96 H +ATOM 2375 HB3 GLU H 46 114.833 99.470 89.603 1.00 77.96 H +ATOM 2376 HG2 GLU H 46 115.500 101.162 87.915 1.00 77.96 H +ATOM 2377 HG3 GLU H 46 116.896 100.415 87.930 1.00 77.96 H +ATOM 2378 N TRP H 47 116.212 103.228 90.458 1.00 73.32 N +ATOM 2379 CA TRP H 47 115.836 104.584 90.085 1.00 73.32 C +ATOM 2380 C TRP H 47 115.487 104.645 88.605 1.00 73.32 C +ATOM 2381 O TRP H 47 116.155 104.034 87.769 1.00 73.32 O +ATOM 2382 CB TRP H 47 116.987 105.539 90.396 1.00 73.32 C +ATOM 2383 CG TRP H 47 116.862 106.895 89.775 1.00 73.32 C +ATOM 2384 CD1 TRP H 47 116.058 107.914 90.183 1.00 73.32 C +ATOM 2385 CD2 TRP H 47 117.575 107.380 88.633 1.00 73.32 C +ATOM 2386 NE1 TRP H 47 116.224 109.004 89.366 1.00 73.32 N +ATOM 2387 CE2 TRP H 47 117.152 108.699 88.406 1.00 73.32 C +ATOM 2388 CE3 TRP H 47 118.531 106.824 87.780 1.00 73.32 C +ATOM 2389 CZ2 TRP H 47 117.648 109.470 87.362 1.00 73.32 C +ATOM 2390 CZ3 TRP H 47 119.020 107.590 86.745 1.00 73.32 C +ATOM 2391 CH2 TRP H 47 118.580 108.898 86.545 1.00 73.32 C +ATOM 2392 H TRP H 47 117.014 103.154 90.761 1.00 73.32 H +ATOM 2393 HA TRP H 47 115.059 104.859 90.596 1.00 73.32 H +ATOM 2394 HB2 TRP H 47 117.039 105.660 91.357 1.00 73.32 H +ATOM 2395 HB3 TRP H 47 117.812 105.144 90.073 1.00 73.32 H +ATOM 2396 HD1 TRP H 47 115.481 107.877 90.911 1.00 73.32 H +ATOM 2397 HE1 TRP H 47 115.813 109.754 89.445 1.00 73.32 H +ATOM 2398 HE3 TRP H 47 118.829 105.952 87.906 1.00 73.32 H +ATOM 2399 HZ2 TRP H 47 117.356 110.342 87.224 1.00 73.32 H +ATOM 2400 HZ3 TRP H 47 119.657 107.230 86.172 1.00 73.32 H +ATOM 2401 HH2 TRP H 47 118.930 109.391 85.838 1.00 73.32 H +ATOM 2402 N VAL H 48 114.429 105.392 88.289 1.00 74.15 N +ATOM 2403 CA VAL H 48 113.919 105.518 86.925 1.00 74.15 C +ATOM 2404 C VAL H 48 114.206 106.903 86.367 1.00 74.15 C +ATOM 2405 O VAL H 48 114.872 107.038 85.339 1.00 74.15 O +ATOM 2406 CB VAL H 48 112.411 105.187 86.855 1.00 74.15 C +ATOM 2407 CG1 VAL H 48 111.865 105.419 85.451 1.00 74.15 C +ATOM 2408 CG2 VAL H 48 112.171 103.762 87.297 1.00 74.15 C +ATOM 2409 H VAL H 48 113.978 105.846 88.863 1.00 74.15 H +ATOM 2410 HA VAL H 48 114.369 104.883 86.349 1.00 74.15 H +ATOM 2411 HB VAL H 48 111.910 105.768 87.438 1.00 74.15 H +ATOM 2412 HG11 VAL H 48 111.006 104.977 85.367 1.00 74.15 H +ATOM 2413 HG12 VAL H 48 111.751 106.368 85.290 1.00 74.15 H +ATOM 2414 HG13 VAL H 48 112.486 105.039 84.816 1.00 74.15 H +ATOM 2415 HG21 VAL H 48 111.245 103.532 87.130 1.00 74.15 H +ATOM 2416 HG22 VAL H 48 112.753 103.173 86.793 1.00 74.15 H +ATOM 2417 HG23 VAL H 48 112.365 103.686 88.245 1.00 74.15 H +ATOM 2418 N ALA H 49 113.710 107.948 87.028 1.00 72.53 N +ATOM 2419 CA ALA H 49 113.825 109.294 86.471 1.00 72.53 C +ATOM 2420 C ALA H 49 113.928 110.321 87.585 1.00 72.53 C +ATOM 2421 O ALA H 49 113.621 110.037 88.742 1.00 72.53 O +ATOM 2422 CB ALA H 49 112.637 109.632 85.567 1.00 72.53 C +ATOM 2423 H ALA H 49 113.308 107.906 87.787 1.00 72.53 H +ATOM 2424 HA ALA H 49 114.634 109.374 85.943 1.00 72.53 H +ATOM 2425 HB1 ALA H 49 112.750 110.532 85.221 1.00 72.53 H +ATOM 2426 HB2 ALA H 49 112.608 108.997 84.834 1.00 72.53 H +ATOM 2427 HB3 ALA H 49 111.819 109.577 86.086 1.00 72.53 H +ATOM 2428 N VAL H 50 114.384 111.523 87.221 1.00 71.27 N +ATOM 2429 CA VAL H 50 114.425 112.657 88.135 1.00 71.27 C +ATOM 2430 C VAL H 50 113.938 113.898 87.399 1.00 71.27 C +ATOM 2431 O VAL H 50 113.857 113.930 86.170 1.00 71.27 O +ATOM 2432 CB VAL H 50 115.856 112.886 88.682 1.00 71.27 C +ATOM 2433 CG1 VAL H 50 116.765 113.393 87.585 1.00 71.27 C +ATOM 2434 CG2 VAL H 50 115.874 113.848 89.863 1.00 71.27 C +ATOM 2435 H VAL H 50 114.680 111.705 86.434 1.00 71.27 H +ATOM 2436 HA VAL H 50 113.832 112.501 88.884 1.00 71.27 H +ATOM 2437 HB VAL H 50 116.210 112.037 88.989 1.00 71.27 H +ATOM 2438 HG11 VAL H 50 117.682 113.186 87.825 1.00 71.27 H +ATOM 2439 HG12 VAL H 50 116.538 112.951 86.753 1.00 71.27 H +ATOM 2440 HG13 VAL H 50 116.665 114.352 87.483 1.00 71.27 H +ATOM 2441 HG21 VAL H 50 116.731 113.763 90.305 1.00 71.27 H +ATOM 2442 HG22 VAL H 50 115.775 114.761 89.558 1.00 71.27 H +ATOM 2443 HG23 VAL H 50 115.157 113.619 90.474 1.00 71.27 H +ATOM 2444 N ILE H 51 113.614 114.927 88.174 1.00 73.41 N +ATOM 2445 CA ILE H 51 113.319 116.253 87.655 1.00 73.41 C +ATOM 2446 C ILE H 51 113.779 117.282 88.681 1.00 73.41 C +ATOM 2447 O ILE H 51 113.507 117.138 89.881 1.00 73.41 O +ATOM 2448 CB ILE H 51 111.817 116.376 87.327 1.00 73.41 C +ATOM 2449 CG1 ILE H 51 111.532 117.675 86.599 1.00 73.41 C +ATOM 2450 CG2 ILE H 51 110.956 116.276 88.584 1.00 73.41 C +ATOM 2451 CD1 ILE H 51 110.282 117.632 85.783 1.00 73.41 C +ATOM 2452 H ILE H 51 113.555 114.877 89.031 1.00 73.41 H +ATOM 2453 HA ILE H 51 113.831 116.392 86.845 1.00 73.41 H +ATOM 2454 HB ILE H 51 111.581 115.645 86.739 1.00 73.41 H +ATOM 2455 HG12 ILE H 51 111.440 118.391 87.247 1.00 73.41 H +ATOM 2456 HG13 ILE H 51 112.267 117.864 86.000 1.00 73.41 H +ATOM 2457 HG21 ILE H 51 110.028 116.184 88.317 1.00 73.41 H +ATOM 2458 HG22 ILE H 51 111.221 115.500 89.096 1.00 73.41 H +ATOM 2459 HG23 ILE H 51 111.059 117.076 89.120 1.00 73.41 H +ATOM 2460 HD11 ILE H 51 110.143 118.499 85.370 1.00 73.41 H +ATOM 2461 HD12 ILE H 51 110.380 116.952 85.098 1.00 73.41 H +ATOM 2462 HD13 ILE H 51 109.532 117.416 86.359 1.00 73.41 H +ATOM 2463 N TRP H 52 114.458 118.326 88.202 1.00 76.93 N +ATOM 2464 CA TRP H 52 114.869 119.439 89.047 1.00 76.93 C +ATOM 2465 C TRP H 52 113.646 120.178 89.566 1.00 76.93 C +ATOM 2466 O TRP H 52 112.551 120.076 89.007 1.00 76.93 O +ATOM 2467 CB TRP H 52 115.754 120.419 88.273 1.00 76.93 C +ATOM 2468 CG TRP H 52 117.209 120.053 88.142 1.00 76.93 C +ATOM 2469 CD1 TRP H 52 117.885 119.067 88.801 1.00 76.93 C +ATOM 2470 CD2 TRP H 52 118.167 120.696 87.298 1.00 76.93 C +ATOM 2471 NE1 TRP H 52 119.200 119.054 88.413 1.00 76.93 N +ATOM 2472 CE2 TRP H 52 119.399 120.046 87.492 1.00 76.93 C +ATOM 2473 CE3 TRP H 52 118.102 121.758 86.395 1.00 76.93 C +ATOM 2474 CZ2 TRP H 52 120.551 120.421 86.816 1.00 76.93 C +ATOM 2475 CZ3 TRP H 52 119.246 122.130 85.730 1.00 76.93 C +ATOM 2476 CH2 TRP H 52 120.454 121.463 85.940 1.00 76.93 C +ATOM 2477 H TRP H 52 114.693 118.411 87.379 1.00 76.93 H +ATOM 2478 HA TRP H 52 115.337 119.101 89.824 1.00 76.93 H +ATOM 2479 HB2 TRP H 52 115.398 120.504 87.375 1.00 76.93 H +ATOM 2480 HB3 TRP H 52 115.713 121.280 88.717 1.00 76.93 H +ATOM 2481 HD1 TRP H 52 117.507 118.486 89.420 1.00 76.93 H +ATOM 2482 HE1 TRP H 52 119.802 118.512 88.703 1.00 76.93 H +ATOM 2483 HE3 TRP H 52 117.300 122.207 86.248 1.00 76.93 H +ATOM 2484 HZ2 TRP H 52 121.358 119.981 86.955 1.00 76.93 H +ATOM 2485 HZ3 TRP H 52 119.213 122.835 85.124 1.00 76.93 H +ATOM 2486 HH2 TRP H 52 121.211 121.737 85.474 1.00 76.93 H +ATOM 2487 N TYR H 52A 113.832 120.920 90.665 1.00 76.41 N +ATOM 2488 CA TYR H 52A 112.691 121.594 91.273 1.00 76.41 C +ATOM 2489 C TYR H 52A 111.995 122.578 90.335 1.00 76.41 C +ATOM 2490 O TYR H 52A 110.814 122.869 90.549 1.00 76.41 O +ATOM 2491 CB TYR H 52A 113.112 122.315 92.559 1.00 76.41 C +ATOM 2492 CG TYR H 52A 114.134 123.417 92.416 1.00 76.41 C +ATOM 2493 CD1 TYR H 52A 113.779 124.672 91.941 1.00 76.41 C +ATOM 2494 CD2 TYR H 52A 115.443 123.214 92.799 1.00 76.41 C +ATOM 2495 CE1 TYR H 52A 114.700 125.674 91.822 1.00 76.41 C +ATOM 2496 CE2 TYR H 52A 116.371 124.215 92.693 1.00 76.41 C +ATOM 2497 CZ TYR H 52A 115.996 125.443 92.194 1.00 76.41 C +ATOM 2498 OH TYR H 52A 116.906 126.466 92.079 1.00 76.41 O +ATOM 2499 H TYR H 52A 114.585 121.042 91.064 1.00 76.41 H +ATOM 2500 HA TYR H 52A 112.048 120.921 91.526 1.00 76.41 H +ATOM 2501 HB2 TYR H 52A 112.321 122.703 92.964 1.00 76.41 H +ATOM 2502 HB3 TYR H 52A 113.500 121.665 93.162 1.00 76.41 H +ATOM 2503 HD1 TYR H 52A 112.900 124.829 91.681 1.00 76.41 H +ATOM 2504 HD2 TYR H 52A 115.701 122.383 93.129 1.00 76.41 H +ATOM 2505 HE1 TYR H 52A 114.448 126.507 91.494 1.00 76.41 H +ATOM 2506 HE2 TYR H 52A 117.254 124.062 92.943 1.00 76.41 H +ATOM 2507 HH TYR H 52A 117.517 126.371 92.648 1.00 76.41 H +ATOM 2508 N ASP H 53 112.684 123.099 89.314 1.00 76.23 N +ATOM 2509 CA ASP H 53 112.043 123.880 88.259 1.00 76.23 C +ATOM 2510 C ASP H 53 111.953 123.132 86.935 1.00 76.23 C +ATOM 2511 O ASP H 53 111.647 123.748 85.909 1.00 76.23 O +ATOM 2512 CB ASP H 53 112.790 125.200 88.053 1.00 76.23 C +ATOM 2513 CG ASP H 53 114.259 125.002 87.736 1.00 76.23 C +ATOM 2514 OD1 ASP H 53 114.697 123.841 87.618 1.00 76.23 O +ATOM 2515 OD2 ASP H 53 114.980 126.012 87.600 1.00 76.23 O1- +ATOM 2516 H ASP H 53 113.533 123.004 89.216 1.00 76.23 H +ATOM 2517 HA ASP H 53 111.138 124.112 88.514 1.00 76.23 H +ATOM 2518 HB2 ASP H 53 112.386 125.688 87.319 1.00 76.23 H +ATOM 2519 HB3 ASP H 53 112.731 125.723 88.868 1.00 76.23 H +ATOM 2520 N GLY H 54 112.210 121.830 86.931 1.00 77.19 N +ATOM 2521 CA GLY H 54 111.998 120.972 85.783 1.00 77.19 C +ATOM 2522 C GLY H 54 112.676 121.403 84.503 1.00 77.19 C +ATOM 2523 O GLY H 54 112.208 121.064 83.412 1.00 77.19 O +ATOM 2524 H GLY H 54 112.527 121.402 87.599 1.00 77.19 H +ATOM 2525 HA2 GLY H 54 112.398 120.129 85.999 1.00 77.19 H +ATOM 2526 HA3 GLY H 54 111.051 120.844 85.621 1.00 77.19 H +ATOM 2527 N THR H 55 113.779 122.133 84.613 1.00 78.48 N +ATOM 2528 CA THR H 55 114.375 122.717 83.426 1.00 78.48 C +ATOM 2529 C THR H 55 115.348 121.722 82.774 1.00 78.48 C +ATOM 2530 O THR H 55 115.712 121.888 81.600 1.00 78.48 O +ATOM 2531 CB THR H 55 115.073 124.035 83.787 1.00 78.48 C +ATOM 2532 OG1 THR H 55 114.146 124.922 84.403 1.00 78.48 O +ATOM 2533 CG2 THR H 55 115.287 124.835 82.513 1.00 78.48 C +ATOM 2534 H THR H 55 114.188 122.310 85.350 1.00 78.48 H +ATOM 2535 HA THR H 55 113.683 122.928 82.780 1.00 78.48 H +ATOM 2536 HB THR H 55 115.897 123.926 84.288 1.00 78.48 H +ATOM 2537 HG1 THR H 55 114.535 125.637 84.606 1.00 78.48 H +ATOM 2538 HG21 THR H 55 116.020 125.458 82.615 1.00 78.48 H +ATOM 2539 HG22 THR H 55 115.444 124.276 81.747 1.00 78.48 H +ATOM 2540 HG23 THR H 55 114.487 125.351 82.331 1.00 78.48 H +ATOM 2541 N ASN H 56 115.893 120.777 83.553 1.00 75.79 N +ATOM 2542 CA ASN H 56 116.746 119.705 83.045 1.00 75.79 C +ATOM 2543 C ASN H 56 116.435 118.408 83.783 1.00 75.79 C +ATOM 2544 O ASN H 56 116.258 118.422 85.005 1.00 75.79 O +ATOM 2545 CB ASN H 56 118.230 120.040 83.203 1.00 75.79 C +ATOM 2546 CG ASN H 56 119.062 119.612 82.010 1.00 75.79 C +ATOM 2547 OD1 ASN H 56 118.619 119.674 80.865 1.00 75.79 O +ATOM 2548 ND2 ASN H 56 120.297 119.227 82.272 1.00 75.79 N +ATOM 2549 H ASN H 56 115.788 120.740 84.406 1.00 75.79 H +ATOM 2550 HA ASN H 56 116.543 119.571 82.108 1.00 75.79 H +ATOM 2551 HB2 ASN H 56 118.337 120.986 83.324 1.00 75.79 H +ATOM 2552 HB3 ASN H 56 118.570 119.572 83.983 1.00 75.79 H +ATOM 2553 HD21 ASN H 56 120.576 119.206 83.085 1.00 75.79 H +ATOM 2554 HD22 ASN H 56 120.816 118.978 81.633 1.00 75.79 H +ATOM 2555 N THR H 57 116.361 117.288 83.048 1.00 69.79 N +ATOM 2556 CA THR H 57 115.959 116.002 83.613 1.00 69.79 C +ATOM 2557 C THR H 57 116.872 114.867 83.159 1.00 69.79 C +ATOM 2558 O THR H 57 117.470 114.909 82.081 1.00 69.79 O +ATOM 2559 CB THR H 57 114.525 115.628 83.212 1.00 69.79 C +ATOM 2560 OG1 THR H 57 114.420 115.598 81.783 1.00 69.79 O +ATOM 2561 CG2 THR H 57 113.504 116.595 83.786 1.00 69.79 C +ATOM 2562 H THR H 57 116.544 117.254 82.208 1.00 69.79 H +ATOM 2563 HA THR H 57 115.998 116.037 84.580 1.00 69.79 H +ATOM 2564 HB THR H 57 114.324 114.746 83.558 1.00 69.79 H +ATOM 2565 HG1 THR H 57 113.651 115.346 81.558 1.00 69.79 H +ATOM 2566 HG21 THR H 57 112.742 116.653 83.189 1.00 69.79 H +ATOM 2567 HG22 THR H 57 113.198 116.264 84.641 1.00 69.79 H +ATOM 2568 HG23 THR H 57 113.871 117.482 83.901 1.00 69.79 H +ATOM 2569 N TYR H 58 116.949 113.842 84.014 1.00 70.21 N +ATOM 2570 CA TYR H 58 117.762 112.640 83.843 1.00 70.21 C +ATOM 2571 C TYR H 58 116.938 111.364 83.947 1.00 70.21 C +ATOM 2572 O TYR H 58 115.999 111.277 84.742 1.00 70.21 O +ATOM 2573 CB TYR H 58 118.925 112.572 84.826 1.00 70.21 C +ATOM 2574 CG TYR H 58 119.905 113.691 84.662 1.00 70.21 C +ATOM 2575 CD1 TYR H 58 119.909 114.801 85.491 1.00 70.21 C +ATOM 2576 CD2 TYR H 58 120.845 113.623 83.652 1.00 70.21 C +ATOM 2577 CE1 TYR H 58 120.840 115.810 85.310 1.00 70.21 C +ATOM 2578 CE2 TYR H 58 121.759 114.607 83.464 1.00 70.21 C +ATOM 2579 CZ TYR H 58 121.758 115.699 84.282 1.00 70.21 C +ATOM 2580 OH TYR H 58 122.713 116.655 84.034 1.00 70.21 O +ATOM 2581 H TYR H 58 116.504 113.826 84.749 1.00 70.21 H +ATOM 2582 HA TYR H 58 118.145 112.656 82.952 1.00 70.21 H +ATOM 2583 HB2 TYR H 58 118.594 112.593 85.731 1.00 70.21 H +ATOM 2584 HB3 TYR H 58 119.404 111.742 84.678 1.00 70.21 H +ATOM 2585 HD1 TYR H 58 119.286 114.865 86.179 1.00 70.21 H +ATOM 2586 HD2 TYR H 58 120.853 112.882 83.089 1.00 70.21 H +ATOM 2587 HE1 TYR H 58 120.841 116.556 85.866 1.00 70.21 H +ATOM 2588 HE2 TYR H 58 122.383 114.540 82.778 1.00 70.21 H +ATOM 2589 HH TYR H 58 122.926 116.645 83.223 1.00 70.21 H +ATOM 2590 N TYR H 59 117.315 110.375 83.132 1.00 72.47 N +ATOM 2591 CA TYR H 59 116.622 109.103 82.997 1.00 72.47 C +ATOM 2592 C TYR H 59 117.627 107.969 83.117 1.00 72.47 C +ATOM 2593 O TYR H 59 118.783 108.103 82.709 1.00 72.47 O +ATOM 2594 CB TYR H 59 115.967 108.962 81.623 1.00 72.47 C +ATOM 2595 CG TYR H 59 114.956 110.008 81.259 1.00 72.47 C +ATOM 2596 CD1 TYR H 59 114.080 110.512 82.195 1.00 72.47 C +ATOM 2597 CD2 TYR H 59 114.900 110.512 79.969 1.00 72.47 C +ATOM 2598 CE1 TYR H 59 113.159 111.463 81.855 1.00 72.47 C +ATOM 2599 CE2 TYR H 59 113.984 111.471 79.620 1.00 72.47 C +ATOM 2600 CZ TYR H 59 113.115 111.947 80.568 1.00 72.47 C +ATOM 2601 OH TYR H 59 112.195 112.910 80.225 1.00 72.47 O +ATOM 2602 H TYR H 59 118.008 110.428 82.626 1.00 72.47 H +ATOM 2603 HA TYR H 59 115.953 109.001 83.691 1.00 72.47 H +ATOM 2604 HB2 TYR H 59 116.665 108.991 80.950 1.00 72.47 H +ATOM 2605 HB3 TYR H 59 115.522 108.103 81.586 1.00 72.47 H +ATOM 2606 HD1 TYR H 59 114.101 110.185 83.065 1.00 72.47 H +ATOM 2607 HD2 TYR H 59 115.489 110.187 79.327 1.00 72.47 H +ATOM 2608 HE1 TYR H 59 112.575 111.780 82.494 1.00 72.47 H +ATOM 2609 HE2 TYR H 59 113.955 111.797 78.749 1.00 72.47 H +ATOM 2610 HH TYR H 59 112.274 113.105 79.412 1.00 72.47 H +ATOM 2611 N ALA H 60 117.181 106.849 83.682 1.00 75.10 N +ATOM 2612 CA ALA H 60 118.028 105.668 83.727 1.00 75.10 C +ATOM 2613 C ALA H 60 118.293 105.156 82.314 1.00 75.10 C +ATOM 2614 O ALA H 60 117.622 105.535 81.351 1.00 75.10 O +ATOM 2615 CB ALA H 60 117.378 104.572 84.568 1.00 75.10 C +ATOM 2616 H ALA H 60 116.405 106.751 84.040 1.00 75.10 H +ATOM 2617 HA ALA H 60 118.879 105.898 84.132 1.00 75.10 H +ATOM 2618 HB1 ALA H 60 117.958 103.795 84.577 1.00 75.10 H +ATOM 2619 HB2 ALA H 60 117.249 104.900 85.471 1.00 75.10 H +ATOM 2620 HB3 ALA H 60 116.522 104.340 84.175 1.00 75.10 H +ATOM 2621 N ASP H 61 119.297 104.285 82.193 1.00 78.89 N +ATOM 2622 CA ASP H 61 119.610 103.727 80.882 1.00 78.89 C +ATOM 2623 C ASP H 61 118.476 102.858 80.357 1.00 78.89 C +ATOM 2624 O ASP H 61 118.144 102.916 79.168 1.00 78.89 O +ATOM 2625 CB ASP H 61 120.899 102.910 80.955 1.00 78.89 C +ATOM 2626 CG ASP H 61 122.139 103.774 81.024 1.00 78.89 C +ATOM 2627 OD1 ASP H 61 122.046 104.995 80.775 1.00 78.89 O +ATOM 2628 OD2 ASP H 61 123.218 103.223 81.329 1.00 78.89 O1- +ATOM 2629 H ASP H 61 119.797 104.008 82.836 1.00 78.89 H +ATOM 2630 HA ASP H 61 119.729 104.450 80.248 1.00 78.89 H +ATOM 2631 HB2 ASP H 61 120.876 102.354 81.749 1.00 78.89 H +ATOM 2632 HB3 ASP H 61 120.965 102.354 80.163 1.00 78.89 H +ATOM 2633 N SER H 62 117.871 102.044 81.225 1.00 79.85 N +ATOM 2634 CA SER H 62 116.790 101.162 80.799 1.00 79.85 C +ATOM 2635 C SER H 62 115.576 101.902 80.257 1.00 79.85 C +ATOM 2636 O SER H 62 114.731 101.264 79.620 1.00 79.85 O +ATOM 2637 CB SER H 62 116.362 100.269 81.960 1.00 79.85 C +ATOM 2638 OG SER H 62 117.325 99.257 82.190 1.00 79.85 O +ATOM 2639 H SER H 62 118.068 101.985 82.060 1.00 79.85 H +ATOM 2640 HA SER H 62 117.122 100.586 80.092 1.00 79.85 H +ATOM 2641 HB2 SER H 62 116.274 100.810 82.761 1.00 79.85 H +ATOM 2642 HB3 SER H 62 115.512 99.854 81.743 1.00 79.85 H +ATOM 2643 HG SER H 62 117.057 98.737 82.793 1.00 79.85 H +ATOM 2644 N VAL H 63 115.457 103.208 80.496 1.00 78.85 N +ATOM 2645 CA VAL H 63 114.329 103.989 80.001 1.00 78.85 C +ATOM 2646 C VAL H 63 114.818 105.211 79.235 1.00 78.85 C +ATOM 2647 O VAL H 63 114.034 106.129 78.967 1.00 78.85 O +ATOM 2648 CB VAL H 63 113.413 104.423 81.161 1.00 78.85 C +ATOM 2649 CG1 VAL H 63 112.895 103.207 81.933 1.00 78.85 C +ATOM 2650 CG2 VAL H 63 114.124 105.415 82.076 1.00 78.85 C +ATOM 2651 H VAL H 63 116.022 103.670 80.949 1.00 78.85 H +ATOM 2652 HA VAL H 63 113.791 103.469 79.387 1.00 78.85 H +ATOM 2653 HB VAL H 63 112.641 104.877 80.788 1.00 78.85 H +ATOM 2654 HG11 VAL H 63 112.410 103.514 82.713 1.00 78.85 H +ATOM 2655 HG12 VAL H 63 112.306 102.695 81.357 1.00 78.85 H +ATOM 2656 HG13 VAL H 63 113.634 102.653 82.226 1.00 78.85 H +ATOM 2657 HG21 VAL H 63 113.680 105.433 82.934 1.00 78.85 H +ATOM 2658 HG22 VAL H 63 115.049 105.153 82.195 1.00 78.85 H +ATOM 2659 HG23 VAL H 63 114.080 106.296 81.676 1.00 78.85 H +ATOM 2660 N LYS H 64 116.109 105.257 78.902 1.00 81.39 N +ATOM 2661 CA LYS H 64 116.642 106.386 78.152 1.00 81.39 C +ATOM 2662 C LYS H 64 115.924 106.518 76.819 1.00 81.39 C +ATOM 2663 O LYS H 64 115.929 105.588 76.007 1.00 81.39 O +ATOM 2664 CB LYS H 64 118.145 106.222 77.941 1.00 81.39 C +ATOM 2665 CG LYS H 64 118.854 107.533 77.604 1.00 81.39 C +ATOM 2666 CD LYS H 64 120.349 107.354 77.355 1.00 81.39 C +ATOM 2667 CE LYS H 64 121.083 106.837 78.588 1.00 81.39 C +ATOM 2668 NZ LYS H 64 122.402 107.497 78.786 1.00 81.39 N1+ +ATOM 2669 H LYS H 64 116.701 104.661 79.082 1.00 81.39 H +ATOM 2670 HA LYS H 64 116.495 107.202 78.657 1.00 81.39 H +ATOM 2671 HB2 LYS H 64 118.523 105.863 78.758 1.00 81.39 H +ATOM 2672 HB3 LYS H 64 118.294 105.604 77.208 1.00 81.39 H +ATOM 2673 HG2 LYS H 64 118.459 107.906 76.801 1.00 81.39 H +ATOM 2674 HG3 LYS H 64 118.743 108.151 78.344 1.00 81.39 H +ATOM 2675 HD2 LYS H 64 120.476 106.714 76.637 1.00 81.39 H +ATOM 2676 HD3 LYS H 64 120.734 108.210 77.110 1.00 81.39 H +ATOM 2677 HE2 LYS H 64 120.541 107.006 79.374 1.00 81.39 H +ATOM 2678 HE3 LYS H 64 121.235 105.885 78.488 1.00 81.39 H +ATOM 2679 HZ1 LYS H 64 122.803 107.163 79.507 1.00 81.39 H +ATOM 2680 HZ2 LYS H 64 122.920 107.359 78.076 1.00 81.39 H +ATOM 2681 HZ3 LYS H 64 122.289 108.373 78.897 1.00 81.39 H +ATOM 2682 N GLY H 65 115.299 107.669 76.599 1.00 79.09 N +ATOM 2683 CA GLY H 65 114.615 107.912 75.351 1.00 79.09 C +ATOM 2684 C GLY H 65 113.257 107.263 75.234 1.00 79.09 C +ATOM 2685 O GLY H 65 112.700 107.240 74.131 1.00 79.09 O +ATOM 2686 H GLY H 65 115.258 108.320 77.160 1.00 79.09 H +ATOM 2687 HA2 GLY H 65 114.500 108.868 75.237 1.00 79.09 H +ATOM 2688 HA3 GLY H 65 115.165 107.587 74.621 1.00 79.09 H +ATOM 2689 N ARG H 66 112.708 106.728 76.331 1.00 82.03 N +ATOM 2690 CA ARG H 66 111.427 106.038 76.305 1.00 82.03 C +ATOM 2691 C ARG H 66 110.388 106.613 77.250 1.00 82.03 C +ATOM 2692 O ARG H 66 109.194 106.416 77.001 1.00 82.03 O +ATOM 2693 CB ARG H 66 111.612 104.553 76.657 1.00 82.03 C +ATOM 2694 CG ARG H 66 112.581 103.809 75.755 1.00 82.03 C +ATOM 2695 CD ARG H 66 112.326 102.304 75.749 1.00 82.03 C +ATOM 2696 NE ARG H 66 112.690 101.659 77.008 1.00 82.03 N +ATOM 2697 CZ ARG H 66 111.866 101.415 78.022 1.00 82.03 C +ATOM 2698 NH1 ARG H 66 110.593 101.776 77.996 1.00 82.03 N1+ +ATOM 2699 NH2 ARG H 66 112.334 100.789 79.098 1.00 82.03 N +ATOM 2700 H ARG H 66 113.064 106.755 77.113 1.00 82.03 H +ATOM 2701 HA ARG H 66 111.042 106.070 75.417 1.00 82.03 H +ATOM 2702 HB2 ARG H 66 111.941 104.486 77.567 1.00 82.03 H +ATOM 2703 HB3 ARG H 66 110.749 104.119 76.588 1.00 82.03 H +ATOM 2704 HG2 ARG H 66 112.484 104.135 74.847 1.00 82.03 H +ATOM 2705 HG3 ARG H 66 113.486 103.960 76.069 1.00 82.03 H +ATOM 2706 HD2 ARG H 66 111.396 102.129 75.542 1.00 82.03 H +ATOM 2707 HD3 ARG H 66 112.882 101.909 75.059 1.00 82.03 H +ATOM 2708 HE ARG H 66 113.506 101.400 77.095 1.00 82.03 H +ATOM 2709 HH11 ARG H 66 110.256 102.178 77.318 1.00 82.03 H +ATOM 2710 HH12 ARG H 66 110.091 101.599 78.671 1.00 82.03 H +ATOM 2711 HH21 ARG H 66 113.159 100.550 79.131 1.00 82.03 H +ATOM 2712 HH22 ARG H 66 111.812 100.627 79.762 1.00 82.03 H +ATOM 2713 N PHE H 67 110.788 107.317 78.308 1.00 80.21 N +ATOM 2714 CA PHE H 67 109.871 107.851 79.306 1.00 80.21 C +ATOM 2715 C PHE H 67 110.038 109.364 79.346 1.00 80.21 C +ATOM 2716 O PHE H 67 111.092 109.897 78.989 1.00 80.21 O +ATOM 2717 CB PHE H 67 110.147 107.292 80.720 1.00 80.21 C +ATOM 2718 CG PHE H 67 109.800 105.819 80.926 1.00 80.21 C +ATOM 2719 CD1 PHE H 67 109.352 104.998 79.903 1.00 80.21 C +ATOM 2720 CD2 PHE H 67 109.954 105.258 82.183 1.00 80.21 C +ATOM 2721 CE1 PHE H 67 109.067 103.666 80.130 1.00 80.21 C +ATOM 2722 CE2 PHE H 67 109.658 103.929 82.412 1.00 80.21 C +ATOM 2723 CZ PHE H 67 109.218 103.134 81.385 1.00 80.21 C +ATOM 2724 H PHE H 67 111.611 107.503 78.472 1.00 80.21 H +ATOM 2725 HA PHE H 67 108.949 107.665 79.074 1.00 80.21 H +ATOM 2726 HB2 PHE H 67 111.092 107.397 80.912 1.00 80.21 H +ATOM 2727 HB3 PHE H 67 109.628 107.805 81.359 1.00 80.21 H +ATOM 2728 HD1 PHE H 67 109.233 105.328 79.055 1.00 80.21 H +ATOM 2729 HD2 PHE H 67 110.255 105.787 82.886 1.00 80.21 H +ATOM 2730 HE1 PHE H 67 108.759 103.132 79.434 1.00 80.21 H +ATOM 2731 HE2 PHE H 67 109.768 103.569 83.262 1.00 80.21 H +ATOM 2732 HZ PHE H 67 109.020 102.239 81.540 1.00 80.21 H +ATOM 2733 N THR H 68 108.984 110.057 79.777 1.00 75.51 N +ATOM 2734 CA THR H 68 108.991 111.512 79.910 1.00 75.51 C +ATOM 2735 C THR H 68 108.595 111.882 81.331 1.00 75.51 C +ATOM 2736 O THR H 68 107.519 111.495 81.797 1.00 75.51 O +ATOM 2737 CB THR H 68 108.053 112.179 78.901 1.00 75.51 C +ATOM 2738 OG1 THR H 68 108.372 111.728 77.580 1.00 75.51 O +ATOM 2739 CG2 THR H 68 108.201 113.693 78.952 1.00 75.51 C +ATOM 2740 H THR H 68 108.236 109.697 80.004 1.00 75.51 H +ATOM 2741 HA THR H 68 109.883 111.858 79.758 1.00 75.51 H +ATOM 2742 HB THR H 68 107.136 111.967 79.111 1.00 75.51 H +ATOM 2743 HG1 THR H 68 107.872 112.104 77.019 1.00 75.51 H +ATOM 2744 HG21 THR H 68 107.787 114.089 78.170 1.00 75.51 H +ATOM 2745 HG22 THR H 68 107.769 114.046 79.746 1.00 75.51 H +ATOM 2746 HG23 THR H 68 109.139 113.937 78.966 1.00 75.51 H +ATOM 2747 N ILE H 69 109.464 112.629 82.006 1.00 73.29 N +ATOM 2748 CA ILE H 69 109.221 113.136 83.353 1.00 73.29 C +ATOM 2749 C ILE H 69 108.901 114.616 83.238 1.00 73.29 C +ATOM 2750 O ILE H 69 109.585 115.351 82.515 1.00 73.29 O +ATOM 2751 CB ILE H 69 110.435 112.909 84.274 1.00 73.29 C +ATOM 2752 CG1 ILE H 69 110.153 113.338 85.720 1.00 73.29 C +ATOM 2753 CG2 ILE H 69 111.640 113.730 83.820 1.00 73.29 C +ATOM 2754 CD1 ILE H 69 108.980 112.692 86.370 1.00 73.29 C +ATOM 2755 H ILE H 69 110.222 112.863 81.682 1.00 73.29 H +ATOM 2756 HA ILE H 69 108.446 112.687 83.721 1.00 73.29 H +ATOM 2757 HB ILE H 69 110.670 111.968 84.262 1.00 73.29 H +ATOM 2758 HG12 ILE H 69 110.933 113.127 86.256 1.00 73.29 H +ATOM 2759 HG13 ILE H 69 109.990 114.293 85.752 1.00 73.29 H +ATOM 2760 HG21 ILE H 69 112.441 113.329 84.190 1.00 73.29 H +ATOM 2761 HG22 ILE H 69 111.702 113.739 82.856 1.00 73.29 H +ATOM 2762 HG23 ILE H 69 111.551 114.639 84.141 1.00 73.29 H +ATOM 2763 HD11 ILE H 69 109.109 112.711 87.330 1.00 73.29 H +ATOM 2764 HD12 ILE H 69 108.192 113.201 86.134 1.00 73.29 H +ATOM 2765 HD13 ILE H 69 108.901 111.778 86.058 1.00 73.29 H +ATOM 2766 N SER H 70 107.848 115.054 83.918 1.00 76.12 N +ATOM 2767 CA SER H 70 107.505 116.466 83.890 1.00 76.12 C +ATOM 2768 C SER H 70 106.605 116.792 85.069 1.00 76.12 C +ATOM 2769 O SER H 70 105.803 115.965 85.510 1.00 76.12 O +ATOM 2770 CB SER H 70 106.817 116.853 82.578 1.00 76.12 C +ATOM 2771 OG SER H 70 106.472 118.226 82.584 1.00 76.12 O +ATOM 2772 H SER H 70 107.326 114.564 84.395 1.00 76.12 H +ATOM 2773 HA SER H 70 108.311 116.996 83.964 1.00 76.12 H +ATOM 2774 HB2 SER H 70 107.423 116.681 81.840 1.00 76.12 H +ATOM 2775 HB3 SER H 70 106.011 116.324 82.476 1.00 76.12 H +ATOM 2776 HG SER H 70 106.082 118.427 81.867 1.00 76.12 H +ATOM 2777 N ARG H 71 106.764 118.013 85.570 1.00 78.77 N +ATOM 2778 CA ARG H 71 106.012 118.540 86.698 1.00 78.77 C +ATOM 2779 C ARG H 71 105.231 119.760 86.237 1.00 78.77 C +ATOM 2780 O ARG H 71 105.773 120.610 85.523 1.00 78.77 O +ATOM 2781 CB ARG H 71 106.937 118.898 87.868 1.00 78.77 C +ATOM 2782 CG ARG H 71 108.011 119.945 87.568 1.00 78.77 C +ATOM 2783 CD ARG H 71 108.577 120.525 88.839 1.00 78.77 C +ATOM 2784 NE ARG H 71 109.308 119.531 89.610 1.00 78.77 N +ATOM 2785 CZ ARG H 71 109.691 119.682 90.870 1.00 78.77 C +ATOM 2786 NH1 ARG H 71 109.381 120.763 91.569 1.00 78.77 N1+ +ATOM 2787 NH2 ARG H 71 110.419 118.730 91.442 1.00 78.77 N +ATOM 2788 H ARG H 71 107.330 118.579 85.255 1.00 78.77 H +ATOM 2789 HA ARG H 71 105.376 117.879 87.011 1.00 78.77 H +ATOM 2790 HB2 ARG H 71 106.390 119.238 88.592 1.00 78.77 H +ATOM 2791 HB3 ARG H 71 107.391 118.091 88.157 1.00 78.77 H +ATOM 2792 HG2 ARG H 71 108.736 119.530 87.081 1.00 78.77 H +ATOM 2793 HG3 ARG H 71 107.656 120.687 87.062 1.00 78.77 H +ATOM 2794 HD2 ARG H 71 109.190 121.243 88.615 1.00 78.77 H +ATOM 2795 HD3 ARG H 71 107.851 120.866 89.386 1.00 78.77 H +ATOM 2796 HE ARG H 71 109.466 118.774 89.235 1.00 78.77 H +ATOM 2797 HH11 ARG H 71 108.915 121.398 91.225 1.00 78.77 H +ATOM 2798 HH12 ARG H 71 109.646 120.829 92.385 1.00 78.77 H +ATOM 2799 HH21 ARG H 71 110.626 118.024 91.000 1.00 78.77 H +ATOM 2800 HH22 ARG H 71 110.671 118.813 92.258 1.00 78.77 H +ATOM 2801 N ASP H 72 103.953 119.824 86.599 1.00 92.22 N +ATOM 2802 CA ASP H 72 103.136 121.014 86.374 1.00 92.22 C +ATOM 2803 C ASP H 72 102.683 121.512 87.741 1.00 92.22 C +ATOM 2804 O ASP H 72 101.765 120.955 88.351 1.00 92.22 O +ATOM 2805 CB ASP H 72 101.961 120.710 85.454 1.00 92.22 C +ATOM 2806 CG ASP H 72 102.398 120.422 84.029 1.00 92.22 C +ATOM 2807 OD1 ASP H 72 103.441 120.961 83.603 1.00 92.22 O +ATOM 2808 OD2 ASP H 72 101.703 119.655 83.333 1.00 92.22 O1- +ATOM 2809 H ASP H 72 103.530 119.181 86.983 1.00 92.22 H +ATOM 2810 HA ASP H 72 103.660 121.721 85.969 1.00 92.22 H +ATOM 2811 HB2 ASP H 72 101.491 119.930 85.787 1.00 92.22 H +ATOM 2812 HB3 ASP H 72 101.365 121.475 85.437 1.00 92.22 H +ATOM 2813 N ASN H 72A 103.346 122.571 88.204 1.00 90.52 N +ATOM 2814 CA ASN H 72A 103.089 123.183 89.501 1.00 90.52 C +ATOM 2815 C ASN H 72A 101.706 123.813 89.609 1.00 90.52 C +ATOM 2816 O ASN H 72A 101.304 124.176 90.719 1.00 90.52 O +ATOM 2817 CB ASN H 72A 104.171 124.221 89.795 1.00 90.52 C +ATOM 2818 CG ASN H 72A 105.569 123.635 89.717 1.00 90.52 C +ATOM 2819 OD1 ASN H 72A 106.055 123.029 90.669 1.00 90.52 O +ATOM 2820 ND2 ASN H 72A 106.215 123.803 88.571 1.00 90.52 N +ATOM 2821 H ASN H 72A 103.966 122.967 87.760 1.00 90.52 H +ATOM 2822 HA ASN H 72A 103.150 122.496 90.183 1.00 90.52 H +ATOM 2823 HB2 ASN H 72A 104.107 124.939 89.145 1.00 90.52 H +ATOM 2824 HB3 ASN H 72A 104.040 124.570 90.691 1.00 90.52 H +ATOM 2825 HD21 ASN H 72A 107.010 123.487 88.477 1.00 90.52 H +ATOM 2826 HD22 ASN H 72A 105.843 124.230 87.925 1.00 90.52 H +ATOM 2827 N SER H 72B 100.992 123.987 88.492 1.00 98.34 N +ATOM 2828 CA SER H 72B 99.647 124.552 88.542 1.00 98.34 C +ATOM 2829 C SER H 72B 98.744 123.732 89.452 1.00 98.34 C +ATOM 2830 O SER H 72B 98.116 124.268 90.372 1.00 98.34 O +ATOM 2831 CB SER H 72B 99.059 124.625 87.134 1.00 98.34 C +ATOM 2832 OG SER H 72B 98.810 123.326 86.627 1.00 98.34 O +ATOM 2833 H SER H 72B 101.261 123.790 87.700 1.00 98.34 H +ATOM 2834 HA SER H 72B 99.694 125.454 88.896 1.00 98.34 H +ATOM 2835 HB2 SER H 72B 98.224 125.118 87.164 1.00 98.34 H +ATOM 2836 HB3 SER H 72B 99.690 125.075 86.551 1.00 98.34 H +ATOM 2837 HG SER H 72B 98.520 123.376 85.841 1.00 98.34 H +ATOM 2838 N LYS H 72C 98.679 122.426 89.217 1.00 94.70 N +ATOM 2839 CA LYS H 72C 97.908 121.516 90.052 1.00 94.70 C +ATOM 2840 C LYS H 72C 98.742 120.892 91.166 1.00 94.70 C +ATOM 2841 O LYS H 72C 98.198 120.120 91.962 1.00 94.70 O +ATOM 2842 CB LYS H 72C 97.308 120.394 89.194 1.00 94.70 C +ATOM 2843 CG LYS H 72C 96.438 120.853 88.017 1.00 94.70 C +ATOM 2844 CD LYS H 72C 96.632 119.971 86.785 1.00 94.70 C +ATOM 2845 CE LYS H 72C 97.764 120.477 85.904 1.00 94.70 C +ATOM 2846 NZ LYS H 72C 97.922 119.668 84.664 1.00 94.70 N1+ +ATOM 2847 H LYS H 72C 99.082 122.036 88.565 1.00 94.70 H +ATOM 2848 HA LYS H 72C 97.171 121.994 90.463 1.00 94.70 H +ATOM 2849 HB2 LYS H 72C 98.040 119.868 88.836 1.00 94.70 H +ATOM 2850 HB3 LYS H 72C 96.755 119.835 89.762 1.00 94.70 H +ATOM 2851 HG2 LYS H 72C 95.506 120.793 88.278 1.00 94.70 H +ATOM 2852 HG3 LYS H 72C 96.649 121.765 87.770 1.00 94.70 H +ATOM 2853 HD2 LYS H 72C 96.835 119.063 87.056 1.00 94.70 H +ATOM 2854 HD3 LYS H 72C 95.817 119.984 86.259 1.00 94.70 H +ATOM 2855 HE2 LYS H 72C 97.573 121.389 85.637 1.00 94.70 H +ATOM 2856 HE3 LYS H 72C 98.597 120.440 86.399 1.00 94.70 H +ATOM 2857 HZ1 LYS H 72C 98.598 119.985 84.179 1.00 94.70 H +ATOM 2858 HZ2 LYS H 72C 98.089 118.820 84.874 1.00 94.70 H +ATOM 2859 HZ3 LYS H 72C 97.176 119.705 84.180 1.00 94.70 H +ATOM 2860 N ASN H 73 100.038 121.213 91.244 1.00 89.03 N +ATOM 2861 CA ASN H 73 100.966 120.569 92.174 1.00 89.03 C +ATOM 2862 C ASN H 73 100.971 119.059 91.949 1.00 89.03 C +ATOM 2863 O ASN H 73 100.927 118.268 92.894 1.00 89.03 O +ATOM 2864 CB ASN H 73 100.639 120.915 93.632 1.00 89.03 C +ATOM 2865 CG ASN H 73 101.116 122.298 94.024 1.00 89.03 C +ATOM 2866 OD1 ASN H 73 101.395 123.138 93.169 1.00 89.03 O +ATOM 2867 ND2 ASN H 73 101.216 122.542 95.325 1.00 89.03 N +ATOM 2868 H ASN H 73 100.419 121.815 90.766 1.00 89.03 H +ATOM 2869 HA ASN H 73 101.861 120.894 91.990 1.00 89.03 H +ATOM 2870 HB2 ASN H 73 99.683 120.876 93.783 1.00 89.03 H +ATOM 2871 HB3 ASN H 73 101.089 120.294 94.224 1.00 89.03 H +ATOM 2872 HD21 ASN H 73 101.483 123.312 95.599 1.00 89.03 H +ATOM 2873 HD22 ASN H 73 101.013 121.929 95.894 1.00 89.03 H +ATOM 2874 N THR H 74 101.022 118.661 90.680 1.00 88.15 N +ATOM 2875 CA THR H 74 101.060 117.261 90.283 1.00 88.15 C +ATOM 2876 C THR H 74 102.343 116.982 89.516 1.00 88.15 C +ATOM 2877 O THR H 74 102.686 117.714 88.583 1.00 88.15 O +ATOM 2878 CB THR H 74 99.852 116.902 89.416 1.00 88.15 C +ATOM 2879 OG1 THR H 74 99.674 117.901 88.405 1.00 88.15 O +ATOM 2880 CG2 THR H 74 98.592 116.807 90.262 1.00 88.15 C +ATOM 2881 H THR H 74 101.035 119.203 90.012 1.00 88.15 H +ATOM 2882 HA THR H 74 101.049 116.682 91.060 1.00 88.15 H +ATOM 2883 HB THR H 74 100.002 116.041 88.994 1.00 88.15 H +ATOM 2884 HG1 THR H 74 100.351 117.932 87.909 1.00 88.15 H +ATOM 2885 HG21 THR H 74 97.835 116.573 89.703 1.00 88.15 H +ATOM 2886 HG22 THR H 74 98.702 116.126 90.944 1.00 88.15 H +ATOM 2887 HG23 THR H 74 98.416 117.658 90.691 1.00 88.15 H +ATOM 2888 N LEU H 75 103.039 115.924 89.910 1.00 80.89 N +ATOM 2889 CA LEU H 75 104.092 115.326 89.109 1.00 80.89 C +ATOM 2890 C LEU H 75 103.466 114.308 88.167 1.00 80.89 C +ATOM 2891 O LEU H 75 102.440 113.710 88.487 1.00 80.89 O +ATOM 2892 CB LEU H 75 105.125 114.655 90.010 1.00 80.89 C +ATOM 2893 CG LEU H 75 106.353 114.015 89.367 1.00 80.89 C +ATOM 2894 CD1 LEU H 75 107.209 115.040 88.647 1.00 80.89 C +ATOM 2895 CD2 LEU H 75 107.146 113.277 90.430 1.00 80.89 C +ATOM 2896 H LEU H 75 102.914 115.524 90.661 1.00 80.89 H +ATOM 2897 HA LEU H 75 104.533 116.010 88.582 1.00 80.89 H +ATOM 2898 HB2 LEU H 75 105.450 115.323 90.634 1.00 80.89 H +ATOM 2899 HB3 LEU H 75 104.674 113.957 90.504 1.00 80.89 H +ATOM 2900 HG LEU H 75 106.053 113.372 88.710 1.00 80.89 H +ATOM 2901 HD11 LEU H 75 108.002 114.604 88.298 1.00 80.89 H +ATOM 2902 HD12 LEU H 75 106.699 115.424 87.917 1.00 80.89 H +ATOM 2903 HD13 LEU H 75 107.463 115.734 89.275 1.00 80.89 H +ATOM 2904 HD21 LEU H 75 108.067 113.186 90.142 1.00 80.89 H +ATOM 2905 HD22 LEU H 75 107.105 113.780 91.258 1.00 80.89 H +ATOM 2906 HD23 LEU H 75 106.753 112.400 90.565 1.00 80.89 H +ATOM 2907 N TYR H 76 104.070 114.129 86.996 1.00 83.43 N +ATOM 2908 CA TYR H 76 103.601 113.147 86.028 1.00 83.43 C +ATOM 2909 C TYR H 76 104.739 112.206 85.660 1.00 83.43 C +ATOM 2910 O TYR H 76 105.889 112.414 86.042 1.00 83.43 O +ATOM 2911 CB TYR H 76 103.076 113.843 84.766 1.00 83.43 C +ATOM 2912 CG TYR H 76 101.891 114.757 84.991 1.00 83.43 C +ATOM 2913 CD1 TYR H 76 100.829 114.376 85.798 1.00 83.43 C +ATOM 2914 CD2 TYR H 76 101.844 116.012 84.402 1.00 83.43 C +ATOM 2915 CE1 TYR H 76 99.753 115.210 86.002 1.00 83.43 C +ATOM 2916 CE2 TYR H 76 100.771 116.851 84.599 1.00 83.43 C +ATOM 2917 CZ TYR H 76 99.729 116.447 85.401 1.00 83.43 C +ATOM 2918 OH TYR H 76 98.656 117.284 85.602 1.00 83.43 O +ATOM 2919 H TYR H 76 104.761 114.570 86.738 1.00 83.43 H +ATOM 2920 HA TYR H 76 102.896 112.595 86.397 1.00 83.43 H +ATOM 2921 HB2 TYR H 76 103.792 114.377 84.388 1.00 83.43 H +ATOM 2922 HB3 TYR H 76 102.806 113.164 84.127 1.00 83.43 H +ATOM 2923 HD1 TYR H 76 100.843 113.539 86.203 1.00 83.43 H +ATOM 2924 HD2 TYR H 76 102.546 116.288 83.857 1.00 83.43 H +ATOM 2925 HE1 TYR H 76 99.047 114.938 86.543 1.00 83.43 H +ATOM 2926 HE2 TYR H 76 100.751 117.688 84.196 1.00 83.43 H +ATOM 2927 HH TYR H 76 98.086 116.908 86.091 1.00 83.43 H +ATOM 2928 N LEU H 77 104.407 111.141 84.932 1.00 78.45 N +ATOM 2929 CA LEU H 77 105.442 110.376 84.231 1.00 78.45 C +ATOM 2930 C LEU H 77 104.797 109.575 83.111 1.00 78.45 C +ATOM 2931 O LEU H 77 103.986 108.689 83.382 1.00 78.45 O +ATOM 2932 CB LEU H 77 106.215 109.464 85.194 1.00 78.45 C +ATOM 2933 CG LEU H 77 107.422 108.745 84.563 1.00 78.45 C +ATOM 2934 CD1 LEU H 77 108.590 108.603 85.499 1.00 78.45 C +ATOM 2935 CD2 LEU H 77 107.060 107.364 84.105 1.00 78.45 C +ATOM 2936 H LEU H 77 103.607 110.843 84.828 1.00 78.45 H +ATOM 2937 HA LEU H 77 106.074 110.995 83.833 1.00 78.45 H +ATOM 2938 HB2 LEU H 77 106.539 109.999 85.935 1.00 78.45 H +ATOM 2939 HB3 LEU H 77 105.605 108.790 85.529 1.00 78.45 H +ATOM 2940 HG LEU H 77 107.717 109.249 83.789 1.00 78.45 H +ATOM 2941 HD11 LEU H 77 109.362 108.309 84.990 1.00 78.45 H +ATOM 2942 HD12 LEU H 77 108.782 109.455 85.914 1.00 78.45 H +ATOM 2943 HD13 LEU H 77 108.367 107.936 86.164 1.00 78.45 H +ATOM 2944 HD21 LEU H 77 107.863 106.913 83.799 1.00 78.45 H +ATOM 2945 HD22 LEU H 77 106.664 106.869 84.838 1.00 78.45 H +ATOM 2946 HD23 LEU H 77 106.439 107.444 83.382 1.00 78.45 H +ATOM 2947 N GLN H 78 105.169 109.865 81.867 1.00 85.12 N +ATOM 2948 CA GLN H 78 104.689 109.131 80.702 1.00 85.12 C +ATOM 2949 C GLN H 78 105.546 107.886 80.474 1.00 85.12 C +ATOM 2950 O GLN H 78 106.664 107.775 80.981 1.00 85.12 O +ATOM 2951 CB GLN H 78 104.718 110.048 79.471 1.00 85.12 C +ATOM 2952 CG GLN H 78 104.243 109.469 78.138 1.00 85.12 C +ATOM 2953 CD GLN H 78 102.851 108.882 78.202 1.00 85.12 C +ATOM 2954 OE1 GLN H 78 102.681 107.684 78.424 1.00 85.12 O +ATOM 2955 NE2 GLN H 78 101.845 109.723 78.000 1.00 85.12 N +ATOM 2956 H GLN H 78 105.714 110.499 81.668 1.00 85.12 H +ATOM 2957 HA GLN H 78 103.773 108.851 80.855 1.00 85.12 H +ATOM 2958 HB2 GLN H 78 104.177 110.832 79.657 1.00 85.12 H +ATOM 2959 HB3 GLN H 78 105.635 110.314 79.338 1.00 85.12 H +ATOM 2960 HG2 GLN H 78 104.223 110.187 77.485 1.00 85.12 H +ATOM 2961 HG3 GLN H 78 104.858 108.783 77.839 1.00 85.12 H +ATOM 2962 HE21 GLN H 78 102.002 110.555 77.847 1.00 85.12 H +ATOM 2963 HE22 GLN H 78 101.034 109.437 78.027 1.00 85.12 H +ATOM 2964 N MET H 79 105.021 106.952 79.677 1.00 85.13 N +ATOM 2965 CA MET H 79 105.778 105.789 79.235 1.00 85.13 C +ATOM 2966 C MET H 79 105.549 105.600 77.745 1.00 85.13 C +ATOM 2967 O MET H 79 104.476 105.905 77.225 1.00 85.13 O +ATOM 2968 CB MET H 79 105.381 104.463 79.910 1.00 85.13 C +ATOM 2969 CG MET H 79 105.867 104.251 81.335 1.00 85.13 C +ATOM 2970 SD MET H 79 105.009 105.188 82.584 1.00 85.13 S +ATOM 2971 CE MET H 79 103.484 104.269 82.658 1.00 85.13 C +ATOM 2972 H MET H 79 104.214 106.970 79.380 1.00 85.13 H +ATOM 2973 HA MET H 79 106.722 105.930 79.386 1.00 85.13 H +ATOM 2974 HB2 MET H 79 104.416 104.397 79.900 1.00 85.13 H +ATOM 2975 HB3 MET H 79 105.751 103.744 79.378 1.00 85.13 H +ATOM 2976 HG2 MET H 79 105.794 103.315 81.567 1.00 85.13 H +ATOM 2977 HG3 MET H 79 106.784 104.540 81.393 1.00 85.13 H +ATOM 2978 HE1 MET H 79 102.764 104.878 82.877 1.00 85.13 H +ATOM 2979 HE2 MET H 79 103.333 103.852 81.803 1.00 85.13 H +ATOM 2980 HE3 MET H 79 103.557 103.587 83.341 1.00 85.13 H +ATOM 2981 N ASN H 80 106.590 105.141 77.056 1.00 90.48 N +ATOM 2982 CA ASN H 80 106.522 104.820 75.637 1.00 90.48 C +ATOM 2983 C ASN H 80 107.337 103.562 75.382 1.00 90.48 C +ATOM 2984 O ASN H 80 108.423 103.399 75.942 1.00 90.48 O +ATOM 2985 CB ASN H 80 107.044 105.960 74.745 1.00 90.48 C +ATOM 2986 CG ASN H 80 106.431 107.306 75.083 1.00 90.48 C +ATOM 2987 OD1 ASN H 80 106.613 107.827 76.181 1.00 90.48 O +ATOM 2988 ND2 ASN H 80 105.697 107.876 74.133 1.00 90.48 N +ATOM 2989 H ASN H 80 107.367 105.005 77.399 1.00 90.48 H +ATOM 2990 HA ASN H 80 105.603 104.638 75.389 1.00 90.48 H +ATOM 2991 HB2 ASN H 80 108.005 106.029 74.843 1.00 90.48 H +ATOM 2992 HB3 ASN H 80 106.823 105.755 73.823 1.00 90.48 H +ATOM 2993 HD21 ASN H 80 105.328 108.640 74.277 1.00 90.48 H +ATOM 2994 HD22 ASN H 80 105.589 107.484 73.376 1.00 90.48 H +ATOM 2995 N SER H 81 106.790 102.660 74.562 1.00 93.53 N +ATOM 2996 CA SER H 81 107.488 101.444 74.136 1.00 93.53 C +ATOM 2997 C SER H 81 107.707 100.487 75.308 1.00 93.53 C +ATOM 2998 O SER H 81 108.762 99.863 75.427 1.00 93.53 O +ATOM 2999 CB SER H 81 108.818 101.769 73.447 1.00 93.53 C +ATOM 3000 OG SER H 81 108.603 102.516 72.263 1.00 93.53 O +ATOM 3001 H SER H 81 105.998 102.732 74.233 1.00 93.53 H +ATOM 3002 HA SER H 81 106.932 100.985 73.488 1.00 93.53 H +ATOM 3003 HB2 SER H 81 109.407 102.263 74.035 1.00 93.53 H +ATOM 3004 HB3 SER H 81 109.244 100.933 73.199 1.00 93.53 H +ATOM 3005 HG SER H 81 109.339 102.719 71.913 1.00 93.53 H +ATOM 3006 N LEU H 82 106.706 100.383 76.181 1.00 88.98 N +ATOM 3007 CA LEU H 82 106.801 99.512 77.346 1.00 88.98 C +ATOM 3008 C LEU H 82 107.042 98.064 76.941 1.00 88.98 C +ATOM 3009 O LEU H 82 106.443 97.560 75.988 1.00 88.98 O +ATOM 3010 CB LEU H 82 105.518 99.589 78.172 1.00 88.98 C +ATOM 3011 CG LEU H 82 105.369 100.754 79.151 1.00 88.98 C +ATOM 3012 CD1 LEU H 82 103.896 101.087 79.355 1.00 88.98 C +ATOM 3013 CD2 LEU H 82 106.047 100.454 80.488 1.00 88.98 C +ATOM 3014 H LEU H 82 105.961 100.809 76.119 1.00 88.98 H +ATOM 3015 HA LEU H 82 107.540 99.811 77.895 1.00 88.98 H +ATOM 3016 HB2 LEU H 82 104.776 99.652 77.550 1.00 88.98 H +ATOM 3017 HB3 LEU H 82 105.433 98.762 78.671 1.00 88.98 H +ATOM 3018 HG LEU H 82 105.800 101.531 78.767 1.00 88.98 H +ATOM 3019 HD11 LEU H 82 103.817 101.795 80.013 1.00 88.98 H +ATOM 3020 HD12 LEU H 82 103.516 101.381 78.511 1.00 88.98 H +ATOM 3021 HD13 LEU H 82 103.434 100.293 79.666 1.00 88.98 H +ATOM 3022 HD21 LEU H 82 105.708 101.063 81.159 1.00 88.98 H +ATOM 3023 HD22 LEU H 82 105.854 99.543 80.758 1.00 88.98 H +ATOM 3024 HD23 LEU H 82 107.004 100.574 80.389 1.00 88.98 H +ATOM 3025 N ARG H 83 107.917 97.394 77.686 1.00 93.38 N +ATOM 3026 CA ARG H 83 108.204 95.971 77.542 1.00 93.38 C +ATOM 3027 C ARG H 83 107.947 95.269 78.877 1.00 93.38 C +ATOM 3028 O ARG H 83 107.617 95.902 79.881 1.00 93.38 O +ATOM 3029 CB ARG H 83 109.644 95.749 77.056 1.00 93.38 C +ATOM 3030 CG ARG H 83 109.788 95.550 75.546 1.00 93.38 C +ATOM 3031 CD ARG H 83 109.549 96.818 74.736 1.00 93.38 C +ATOM 3032 NE ARG H 83 110.493 97.881 75.066 1.00 93.38 N +ATOM 3033 CZ ARG H 83 111.783 97.874 74.753 1.00 93.38 C +ATOM 3034 NH1 ARG H 83 112.330 96.880 74.069 1.00 93.38 N1+ +ATOM 3035 NH2 ARG H 83 112.547 98.894 75.132 1.00 93.38 N +ATOM 3036 H ARG H 83 108.381 97.763 78.307 1.00 93.38 H +ATOM 3037 HA ARG H 83 107.605 95.582 76.887 1.00 93.38 H +ATOM 3038 HB2 ARG H 83 110.172 96.522 77.306 1.00 93.38 H +ATOM 3039 HB3 ARG H 83 110.016 94.961 77.475 1.00 93.38 H +ATOM 3040 HG2 ARG H 83 110.686 95.236 75.360 1.00 93.38 H +ATOM 3041 HG3 ARG H 83 109.144 94.886 75.254 1.00 93.38 H +ATOM 3042 HD2 ARG H 83 109.658 96.610 73.795 1.00 93.38 H +ATOM 3043 HD3 ARG H 83 108.654 97.143 74.896 1.00 93.38 H +ATOM 3044 HE ARG H 83 110.200 98.542 75.531 1.00 93.38 H +ATOM 3045 HH11 ARG H 83 111.862 96.208 73.810 1.00 93.38 H +ATOM 3046 HH12 ARG H 83 113.169 96.906 73.881 1.00 93.38 H +ATOM 3047 HH21 ARG H 83 112.205 99.546 75.576 1.00 93.38 H +ATOM 3048 HH22 ARG H 83 113.384 98.901 74.934 1.00 93.38 H +ATOM 3049 N ALA H 84 108.110 93.941 78.870 1.00 90.72 N +ATOM 3050 CA ALA H 84 107.651 93.109 79.981 1.00 90.72 C +ATOM 3051 C ALA H 84 108.336 93.463 81.297 1.00 90.72 C +ATOM 3052 O ALA H 84 107.689 93.482 82.350 1.00 90.72 O +ATOM 3053 CB ALA H 84 107.879 91.636 79.649 1.00 90.72 C +ATOM 3054 H ALA H 84 108.483 93.500 78.232 1.00 90.72 H +ATOM 3055 HA ALA H 84 106.698 93.236 80.093 1.00 90.72 H +ATOM 3056 HB1 ALA H 84 107.574 91.094 80.393 1.00 90.72 H +ATOM 3057 HB2 ALA H 84 107.378 91.413 78.849 1.00 90.72 H +ATOM 3058 HB3 ALA H 84 108.826 91.490 79.499 1.00 90.72 H +ATOM 3059 N GLU H 85 109.648 93.727 81.263 1.00 88.91 N +ATOM 3060 CA GLU H 85 110.398 94.024 82.485 1.00 88.91 C +ATOM 3061 C GLU H 85 109.839 95.214 83.259 1.00 88.91 C +ATOM 3062 O GLU H 85 110.072 95.318 84.467 1.00 88.91 O +ATOM 3063 CB GLU H 85 111.878 94.262 82.149 1.00 88.91 C +ATOM 3064 CG GLU H 85 112.214 95.544 81.359 1.00 88.91 C +ATOM 3065 CD GLU H 85 112.056 95.373 79.861 1.00 88.91 C +ATOM 3066 OE1 GLU H 85 111.413 94.389 79.439 1.00 88.91 O +ATOM 3067 OE2 GLU H 85 112.572 96.224 79.106 1.00 88.91 O1- +ATOM 3068 H GLU H 85 110.122 93.734 80.547 1.00 88.91 H +ATOM 3069 HA GLU H 85 110.352 93.250 83.068 1.00 88.91 H +ATOM 3070 HB2 GLU H 85 112.369 94.309 82.985 1.00 88.91 H +ATOM 3071 HB3 GLU H 85 112.201 93.506 81.635 1.00 88.91 H +ATOM 3072 HG2 GLU H 85 111.668 96.296 81.627 1.00 88.91 H +ATOM 3073 HG3 GLU H 85 113.146 95.757 81.522 1.00 88.91 H +ATOM 3074 N ASP H 86 109.112 96.108 82.591 1.00 86.35 N +ATOM 3075 CA ASP H 86 108.648 97.348 83.198 1.00 86.35 C +ATOM 3076 C ASP H 86 107.654 97.139 84.333 1.00 86.35 C +ATOM 3077 O ASP H 86 107.352 98.111 85.034 1.00 86.35 O +ATOM 3078 CB ASP H 86 108.024 98.239 82.127 1.00 86.35 C +ATOM 3079 CG ASP H 86 108.946 98.453 80.950 1.00 86.35 C +ATOM 3080 OD1 ASP H 86 110.176 98.464 81.155 1.00 86.35 O +ATOM 3081 OD2 ASP H 86 108.444 98.587 79.819 1.00 86.35 O1- +ATOM 3082 H ASP H 86 108.864 96.010 81.775 1.00 86.35 H +ATOM 3083 HA ASP H 86 109.413 97.819 83.562 1.00 86.35 H +ATOM 3084 HB2 ASP H 86 107.212 97.822 81.801 1.00 86.35 H +ATOM 3085 HB3 ASP H 86 107.822 99.106 82.513 1.00 86.35 H +ATOM 3086 N THR H 87 107.104 95.933 84.500 1.00 86.28 N +ATOM 3087 CA THR H 87 106.216 95.669 85.625 1.00 86.28 C +ATOM 3088 C THR H 87 106.919 96.019 86.928 1.00 86.28 C +ATOM 3089 O THR H 87 108.082 95.662 87.131 1.00 86.28 O +ATOM 3090 CB THR H 87 105.799 94.197 85.627 1.00 86.28 C +ATOM 3091 OG1 THR H 87 105.020 93.912 84.460 1.00 86.28 O +ATOM 3092 CG2 THR H 87 104.998 93.853 86.873 1.00 86.28 C +ATOM 3093 H THR H 87 107.226 95.259 83.980 1.00 86.28 H +ATOM 3094 HA THR H 87 105.422 96.217 85.540 1.00 86.28 H +ATOM 3095 HB THR H 87 106.595 93.643 85.620 1.00 86.28 H +ATOM 3096 HG1 THR H 87 104.798 93.102 84.453 1.00 86.28 H +ATOM 3097 HG21 THR H 87 104.431 93.086 86.696 1.00 86.28 H +ATOM 3098 HG22 THR H 87 105.595 93.636 87.606 1.00 86.28 H +ATOM 3099 HG23 THR H 87 104.438 94.599 87.131 1.00 86.28 H +ATOM 3100 N ALA H 88 106.214 96.716 87.816 1.00 78.62 N +ATOM 3101 CA ALA H 88 106.879 97.285 88.981 1.00 78.62 C +ATOM 3102 C ALA H 88 105.852 97.929 89.901 1.00 78.62 C +ATOM 3103 O ALA H 88 104.658 97.996 89.597 1.00 78.62 O +ATOM 3104 CB ALA H 88 107.943 98.308 88.580 1.00 78.62 C +ATOM 3105 H ALA H 88 105.370 96.870 87.768 1.00 78.62 H +ATOM 3106 HA ALA H 88 107.299 96.573 89.478 1.00 78.62 H +ATOM 3107 HB1 ALA H 88 108.310 98.717 89.378 1.00 78.62 H +ATOM 3108 HB2 ALA H 88 108.655 97.869 88.091 1.00 78.62 H +ATOM 3109 HB3 ALA H 88 107.531 98.984 88.026 1.00 78.62 H +ATOM 3110 N VAL H 89 106.341 98.353 91.063 1.00 81.10 N +ATOM 3111 CA VAL H 89 105.640 99.262 91.959 1.00 81.10 C +ATOM 3112 C VAL H 89 106.352 100.603 91.845 1.00 81.10 C +ATOM 3113 O VAL H 89 107.454 100.772 92.382 1.00 81.10 O +ATOM 3114 CB VAL H 89 105.626 98.743 93.407 1.00 81.10 C +ATOM 3115 CG1 VAL H 89 104.691 99.577 94.260 1.00 81.10 C +ATOM 3116 CG2 VAL H 89 105.222 97.279 93.440 1.00 81.10 C +ATOM 3117 H VAL H 89 107.111 98.116 91.364 1.00 81.10 H +ATOM 3118 HA VAL H 89 104.723 99.373 91.668 1.00 81.10 H +ATOM 3119 HB VAL H 89 106.519 98.817 93.778 1.00 81.10 H +ATOM 3120 HG11 VAL H 89 104.718 99.246 95.172 1.00 81.10 H +ATOM 3121 HG12 VAL H 89 104.977 100.500 94.236 1.00 81.10 H +ATOM 3122 HG13 VAL H 89 103.791 99.500 93.907 1.00 81.10 H +ATOM 3123 HG21 VAL H 89 104.978 97.040 94.348 1.00 81.10 H +ATOM 3124 HG22 VAL H 89 104.465 97.148 92.849 1.00 81.10 H +ATOM 3125 HG23 VAL H 89 105.970 96.736 93.146 1.00 81.10 H +ATOM 3126 N TYR H 90 105.832 101.482 90.990 1.00 78.36 N +ATOM 3127 CA TYR H 90 106.393 102.821 90.811 1.00 78.36 C +ATOM 3128 C TYR H 90 106.115 103.700 92.029 1.00 78.36 C +ATOM 3129 O TYR H 90 104.977 104.128 92.253 1.00 78.36 O +ATOM 3130 CB TYR H 90 105.831 103.438 89.538 1.00 78.36 C +ATOM 3131 CG TYR H 90 106.434 102.840 88.296 1.00 78.36 C +ATOM 3132 CD1 TYR H 90 105.895 101.705 87.718 1.00 78.36 C +ATOM 3133 CD2 TYR H 90 107.553 103.402 87.708 1.00 78.36 C +ATOM 3134 CE1 TYR H 90 106.449 101.152 86.583 1.00 78.36 C +ATOM 3135 CE2 TYR H 90 108.114 102.856 86.573 1.00 78.36 C +ATOM 3136 CZ TYR H 90 107.561 101.729 86.017 1.00 78.36 C +ATOM 3137 OH TYR H 90 108.121 101.182 84.887 1.00 78.36 O +ATOM 3138 H TYR H 90 105.144 101.325 90.498 1.00 78.36 H +ATOM 3139 HA TYR H 90 107.354 102.748 90.708 1.00 78.36 H +ATOM 3140 HB2 TYR H 90 104.872 103.299 89.509 1.00 78.36 H +ATOM 3141 HB3 TYR H 90 106.034 104.383 89.538 1.00 78.36 H +ATOM 3142 HD1 TYR H 90 105.143 101.310 88.099 1.00 78.36 H +ATOM 3143 HD2 TYR H 90 107.932 104.164 88.083 1.00 78.36 H +ATOM 3144 HE1 TYR H 90 106.075 100.388 86.205 1.00 78.36 H +ATOM 3145 HE2 TYR H 90 108.866 103.246 86.189 1.00 78.36 H +ATOM 3146 HH TYR H 90 107.689 100.501 84.652 1.00 78.36 H +ATOM 3147 N TYR H 91 107.147 103.920 92.840 1.00 78.09 N +ATOM 3148 CA TYR H 91 107.183 104.894 93.932 1.00 78.09 C +ATOM 3149 C TYR H 91 107.632 106.258 93.407 1.00 78.09 C +ATOM 3150 O TYR H 91 108.815 106.453 93.108 1.00 78.09 O +ATOM 3151 CB TYR H 91 108.143 104.427 95.022 1.00 78.09 C +ATOM 3152 CG TYR H 91 107.695 103.240 95.840 1.00 78.09 C +ATOM 3153 CD1 TYR H 91 107.587 101.979 95.280 1.00 78.09 C +ATOM 3154 CD2 TYR H 91 107.421 103.376 97.187 1.00 78.09 C +ATOM 3155 CE1 TYR H 91 107.189 100.896 96.035 1.00 78.09 C +ATOM 3156 CE2 TYR H 91 107.022 102.306 97.946 1.00 78.09 C +ATOM 3157 CZ TYR H 91 106.909 101.068 97.370 1.00 78.09 C +ATOM 3158 OH TYR H 91 106.513 100.001 98.141 1.00 78.09 O +ATOM 3159 H TYR H 91 107.887 103.487 92.770 1.00 78.09 H +ATOM 3160 HA TYR H 91 106.297 104.985 94.317 1.00 78.09 H +ATOM 3161 HB2 TYR H 91 108.989 104.196 94.609 1.00 78.09 H +ATOM 3162 HB3 TYR H 91 108.271 105.167 95.634 1.00 78.09 H +ATOM 3163 HD1 TYR H 91 107.774 101.866 94.378 1.00 78.09 H +ATOM 3164 HD2 TYR H 91 107.492 104.214 97.584 1.00 78.09 H +ATOM 3165 HE1 TYR H 91 107.112 100.056 95.644 1.00 78.09 H +ATOM 3166 HE2 TYR H 91 106.833 102.420 98.847 1.00 78.09 H +ATOM 3167 HH TYR H 91 106.373 100.253 98.930 1.00 78.09 H +ATOM 3168 N CYS H 92 106.705 107.200 93.230 1.00 78.95 N +ATOM 3169 CA CYS H 92 107.137 108.593 93.144 1.00 78.95 C +ATOM 3170 C CYS H 92 107.823 108.981 94.453 1.00 78.95 C +ATOM 3171 O CYS H 92 107.353 108.634 95.539 1.00 78.95 O +ATOM 3172 CB CYS H 92 105.951 109.525 92.853 1.00 78.95 C +ATOM 3173 SG CYS H 92 104.674 109.612 94.145 1.00 78.95 S +ATOM 3174 H CYS H 92 105.858 107.069 93.161 1.00 78.95 H +ATOM 3175 HA CYS H 92 107.779 108.686 92.424 1.00 78.95 H +ATOM 3176 HB2 CYS H 92 106.294 110.423 92.722 1.00 78.95 H +ATOM 3177 HB3 CYS H 92 105.518 109.224 92.039 1.00 78.95 H +ATOM 3178 N ALA H 93 108.950 109.689 94.348 1.00 76.87 N +ATOM 3179 CA ALA H 93 109.760 110.083 95.492 1.00 76.87 C +ATOM 3180 C ALA H 93 110.068 111.573 95.457 1.00 76.87 C +ATOM 3181 O ALA H 93 110.030 112.217 94.408 1.00 76.87 O +ATOM 3182 CB ALA H 93 111.075 109.302 95.539 1.00 76.87 C +ATOM 3183 H ALA H 93 109.271 109.960 93.597 1.00 76.87 H +ATOM 3184 HA ALA H 93 109.284 109.904 96.317 1.00 76.87 H +ATOM 3185 HB1 ALA H 93 111.587 109.591 96.310 1.00 76.87 H +ATOM 3186 HB2 ALA H 93 110.878 108.354 95.608 1.00 76.87 H +ATOM 3187 HB3 ALA H 93 111.574 109.477 94.726 1.00 76.87 H +ATOM 3188 N ARG H 94 110.442 112.087 96.624 1.00 77.15 N +ATOM 3189 CA ARG H 94 110.766 113.486 96.852 1.00 77.15 C +ATOM 3190 C ARG H 94 112.257 113.624 97.130 1.00 77.15 C +ATOM 3191 O ARG H 94 112.846 112.783 97.813 1.00 77.15 O +ATOM 3192 CB ARG H 94 109.911 113.978 98.027 1.00 77.15 C +ATOM 3193 CG ARG H 94 110.097 115.377 98.623 1.00 77.15 C +ATOM 3194 CD ARG H 94 109.552 115.262 100.053 1.00 77.15 C +ATOM 3195 NE ARG H 94 109.331 116.468 100.839 1.00 77.15 N +ATOM 3196 CZ ARG H 94 110.201 117.000 101.688 1.00 77.15 C +ATOM 3197 NH1 ARG H 94 111.490 116.717 101.631 1.00 77.15 N1+ +ATOM 3198 NH2 ARG H 94 109.763 117.836 102.625 1.00 77.15 N +ATOM 3199 H ARG H 94 110.514 111.613 97.338 1.00 77.15 H +ATOM 3200 HA ARG H 94 110.560 114.010 96.069 1.00 77.15 H +ATOM 3201 HB2 ARG H 94 108.984 113.924 97.748 1.00 77.15 H +ATOM 3202 HB3 ARG H 94 110.053 113.345 98.744 1.00 77.15 H +ATOM 3203 HG2 ARG H 94 111.033 115.621 98.653 1.00 77.15 H +ATOM 3204 HG3 ARG H 94 109.575 116.027 98.127 1.00 77.15 H +ATOM 3205 HD2 ARG H 94 108.693 114.815 99.998 1.00 77.15 H +ATOM 3206 HD3 ARG H 94 110.158 114.711 100.568 1.00 77.15 H +ATOM 3207 HE ARG H 94 108.594 116.893 100.711 1.00 77.15 H +ATOM 3208 HH11 ARG H 94 111.786 116.177 101.035 1.00 77.15 H +ATOM 3209 HH12 ARG H 94 112.036 117.084 102.185 1.00 77.15 H +ATOM 3210 HH21 ARG H 94 108.927 118.032 102.669 1.00 77.15 H +ATOM 3211 HH22 ARG H 94 110.320 118.202 103.169 1.00 77.15 H +ATOM 3212 N ASP H 95 112.869 114.680 96.596 1.00 75.88 N +ATOM 3213 CA ASP H 95 114.261 114.962 96.912 1.00 75.88 C +ATOM 3214 C ASP H 95 114.409 115.311 98.386 1.00 75.88 C +ATOM 3215 O ASP H 95 113.478 115.788 99.035 1.00 75.88 O +ATOM 3216 CB ASP H 95 114.778 116.112 96.046 1.00 75.88 C +ATOM 3217 CG ASP H 95 116.277 116.327 96.176 1.00 75.88 C +ATOM 3218 OD1 ASP H 95 116.926 115.608 96.962 1.00 75.88 O +ATOM 3219 OD2 ASP H 95 116.809 117.226 95.493 1.00 75.88 O1- +ATOM 3220 H ASP H 95 112.505 115.237 96.050 1.00 75.88 H +ATOM 3221 HA ASP H 95 114.799 114.176 96.727 1.00 75.88 H +ATOM 3222 HB2 ASP H 95 114.588 115.914 95.116 1.00 75.88 H +ATOM 3223 HB3 ASP H 95 114.331 116.932 96.309 1.00 75.88 H +ATOM 3224 N LEU H 96 115.611 115.081 98.916 1.00 76.36 N +ATOM 3225 CA LEU H 96 115.906 115.510 100.279 1.00 76.36 C +ATOM 3226 C LEU H 96 116.123 117.006 100.364 1.00 76.36 C +ATOM 3227 O LEU H 96 115.632 117.653 101.291 1.00 76.36 O +ATOM 3228 CB LEU H 96 117.127 114.772 100.818 1.00 76.36 C +ATOM 3229 CG LEU H 96 117.595 115.192 102.212 1.00 76.36 C +ATOM 3230 CD1 LEU H 96 117.995 113.978 103.011 1.00 76.36 C +ATOM 3231 CD2 LEU H 96 118.773 116.151 102.143 1.00 76.36 C +ATOM 3232 H LEU H 96 116.260 114.686 98.515 1.00 76.36 H +ATOM 3233 HA LEU H 96 115.163 115.308 100.852 1.00 76.36 H +ATOM 3234 HB2 LEU H 96 116.912 113.828 100.853 1.00 76.36 H +ATOM 3235 HB3 LEU H 96 117.865 114.918 100.207 1.00 76.36 H +ATOM 3236 HG LEU H 96 116.871 115.633 102.681 1.00 76.36 H +ATOM 3237 HD11 LEU H 96 118.315 114.279 103.873 1.00 76.36 H +ATOM 3238 HD12 LEU H 96 117.224 113.403 103.129 1.00 76.36 H +ATOM 3239 HD13 LEU H 96 118.699 113.502 102.541 1.00 76.36 H +ATOM 3240 HD21 LEU H 96 118.983 116.444 103.043 1.00 76.36 H +ATOM 3241 HD22 LEU H 96 119.534 115.683 101.764 1.00 76.36 H +ATOM 3242 HD23 LEU H 96 118.556 116.919 101.596 1.00 76.36 H +ATOM 3243 N ALA H 97 116.853 117.574 99.417 1.00 74.03 N +ATOM 3244 CA ALA H 97 117.443 118.880 99.621 1.00 74.03 C +ATOM 3245 C ALA H 97 116.478 119.966 99.189 1.00 74.03 C +ATOM 3246 O ALA H 97 115.734 119.810 98.217 1.00 74.03 O +ATOM 3247 CB ALA H 97 118.754 119.001 98.842 1.00 74.03 C +ATOM 3248 H ALA H 97 117.014 117.221 98.648 1.00 74.03 H +ATOM 3249 HA ALA H 97 117.635 119.005 100.560 1.00 74.03 H +ATOM 3250 HB1 ALA H 97 119.129 119.881 99.000 1.00 74.03 H +ATOM 3251 HB2 ALA H 97 119.368 118.314 99.153 1.00 74.03 H +ATOM 3252 HB3 ALA H 97 118.569 118.881 97.898 1.00 74.03 H +ATOM 3253 N TYR H 98 116.512 121.075 99.917 1.00 75.74 N +ATOM 3254 CA TYR H 98 115.684 122.234 99.621 1.00 75.74 C +ATOM 3255 C TYR H 98 116.446 123.118 98.651 1.00 75.74 C +ATOM 3256 O TYR H 98 117.544 123.597 98.964 1.00 75.74 O +ATOM 3257 CB TYR H 98 115.337 123.007 100.896 1.00 75.74 C +ATOM 3258 CG TYR H 98 115.039 124.473 100.652 1.00 75.74 C +ATOM 3259 CD1 TYR H 98 113.799 124.894 100.188 1.00 75.74 C +ATOM 3260 CD2 TYR H 98 116.001 125.440 100.899 1.00 75.74 C +ATOM 3261 CE1 TYR H 98 113.535 126.235 99.964 1.00 75.74 C +ATOM 3262 CE2 TYR H 98 115.746 126.781 100.677 1.00 75.74 C +ATOM 3263 CZ TYR H 98 114.511 127.172 100.212 1.00 75.74 C +ATOM 3264 OH TYR H 98 114.247 128.504 99.993 1.00 75.74 O +ATOM 3265 H TYR H 98 117.019 121.173 100.602 1.00 75.74 H +ATOM 3266 HA TYR H 98 114.860 121.947 99.200 1.00 75.74 H +ATOM 3267 HB2 TYR H 98 114.551 122.614 101.301 1.00 75.74 H +ATOM 3268 HB3 TYR H 98 116.086 122.947 101.510 1.00 75.74 H +ATOM 3269 HD1 TYR H 98 113.132 124.273 100.014 1.00 75.74 H +ATOM 3270 HD2 TYR H 98 116.835 125.179 101.210 1.00 75.74 H +ATOM 3271 HE1 TYR H 98 112.701 126.502 99.651 1.00 75.74 H +ATOM 3272 HE2 TYR H 98 116.405 127.417 100.846 1.00 75.74 H +ATOM 3273 HH TYR H 98 114.883 128.972 100.279 1.00 75.74 H +ATOM 3274 N ARG H 99 115.878 123.328 97.472 1.00 77.00 N +ATOM 3275 CA ARG H 99 116.499 124.237 96.535 1.00 77.00 C +ATOM 3276 C ARG H 99 117.978 123.893 96.398 1.00 77.00 C +ATOM 3277 O ARG H 99 118.842 124.686 96.757 1.00 77.00 O +ATOM 3278 CB ARG H 99 116.284 125.690 96.969 1.00 77.00 C +ATOM 3279 CG ARG H 99 116.367 126.718 95.849 1.00 77.00 C +ATOM 3280 CD ARG H 99 115.069 126.802 95.062 1.00 77.00 C +ATOM 3281 NE ARG H 99 114.063 127.616 95.737 1.00 77.00 N +ATOM 3282 CZ ARG H 99 113.005 128.160 95.148 1.00 77.00 C +ATOM 3283 NH1 ARG H 99 112.764 127.997 93.855 1.00 77.00 N1+ +ATOM 3284 NH2 ARG H 99 112.164 128.887 95.876 1.00 77.00 N +ATOM 3285 H ARG H 99 115.150 122.963 97.191 1.00 77.00 H +ATOM 3286 HA ARG H 99 116.089 124.121 95.671 1.00 77.00 H +ATOM 3287 HB2 ARG H 99 115.391 125.753 97.335 1.00 77.00 H +ATOM 3288 HB3 ARG H 99 116.917 125.945 97.652 1.00 77.00 H +ATOM 3289 HG2 ARG H 99 116.538 127.594 96.231 1.00 77.00 H +ATOM 3290 HG3 ARG H 99 117.076 126.478 95.230 1.00 77.00 H +ATOM 3291 HD2 ARG H 99 115.266 127.230 94.216 1.00 77.00 H +ATOM 3292 HD3 ARG H 99 114.713 125.913 94.913 1.00 77.00 H +ATOM 3293 HE ARG H 99 114.129 127.702 96.592 1.00 77.00 H +ATOM 3294 HH11 ARG H 99 113.289 127.533 93.360 1.00 77.00 H +ATOM 3295 HH12 ARG H 99 112.069 128.364 93.505 1.00 77.00 H +ATOM 3296 HH21 ARG H 99 112.308 128.998 96.716 1.00 77.00 H +ATOM 3297 HH22 ARG H 99 111.475 129.244 95.506 1.00 77.00 H +ATOM 3298 N ASP H 100 118.260 122.609 96.161 1.00 77.38 N +ATOM 3299 CA ASP H 100 119.587 122.172 95.745 1.00 77.38 C +ATOM 3300 C ASP H 100 119.475 121.337 94.475 1.00 77.38 C +ATOM 3301 O ASP H 100 118.474 120.657 94.248 1.00 77.38 O +ATOM 3302 CB ASP H 100 120.293 121.365 96.843 1.00 77.38 C +ATOM 3303 CG ASP H 100 121.799 121.423 96.723 1.00 77.38 C +ATOM 3304 OD1 ASP H 100 122.349 122.542 96.785 1.00 77.38 O +ATOM 3305 OD2 ASP H 100 122.443 120.365 96.593 1.00 77.38 O1- +ATOM 3306 H ASP H 100 117.681 121.979 96.222 1.00 77.38 H +ATOM 3307 HA ASP H 100 120.132 122.943 95.540 1.00 77.38 H +ATOM 3308 HB2 ASP H 100 120.051 121.717 97.713 1.00 77.38 H +ATOM 3309 HB3 ASP H 100 120.028 120.434 96.770 1.00 77.38 H +ATOM 3310 N TYR H 100A 120.517 121.402 93.640 1.00 73.24 N +ATOM 3311 CA TYR H 100A 120.539 120.712 92.355 1.00 73.24 C +ATOM 3312 C TYR H 100A 121.172 119.331 92.416 1.00 73.24 C +ATOM 3313 O TYR H 100A 121.161 118.637 91.403 1.00 73.24 O +ATOM 3314 CB TYR H 100A 121.283 121.508 91.271 1.00 73.24 C +ATOM 3315 CG TYR H 100A 120.526 122.676 90.709 1.00 73.24 C +ATOM 3316 CD1 TYR H 100A 119.844 123.555 91.527 1.00 73.24 C +ATOM 3317 CD2 TYR H 100A 120.434 122.855 89.344 1.00 73.24 C +ATOM 3318 CE1 TYR H 100A 119.154 124.604 91.007 1.00 73.24 C +ATOM 3319 CE2 TYR H 100A 119.725 123.893 88.820 1.00 73.24 C +ATOM 3320 CZ TYR H 100A 119.084 124.770 89.654 1.00 73.24 C +ATOM 3321 OH TYR H 100A 118.370 125.824 89.140 1.00 73.24 O +ATOM 3322 H TYR H 100A 121.234 121.843 93.812 1.00 73.24 H +ATOM 3323 HA TYR H 100A 119.621 120.600 92.053 1.00 73.24 H +ATOM 3324 HB2 TYR H 100A 122.133 121.820 91.595 1.00 73.24 H +ATOM 3325 HB3 TYR H 100A 121.441 120.914 90.521 1.00 73.24 H +ATOM 3326 HD1 TYR H 100A 119.887 123.455 92.450 1.00 73.24 H +ATOM 3327 HD2 TYR H 100A 120.872 122.263 88.776 1.00 73.24 H +ATOM 3328 HE1 TYR H 100A 118.714 125.188 91.572 1.00 73.24 H +ATOM 3329 HE2 TYR H 100A 119.685 124.007 87.901 1.00 73.24 H +ATOM 3330 HH TYR H 100A 118.120 125.650 88.358 1.00 73.24 H +ATOM 3331 N VAL H 100B 121.818 118.974 93.525 1.00 74.47 N +ATOM 3332 CA VAL H 100B 122.540 117.705 93.649 1.00 74.47 C +ATOM 3333 C VAL H 100B 121.666 116.519 93.236 1.00 74.47 C +ATOM 3334 O VAL H 100B 122.104 115.640 92.476 1.00 74.47 O +ATOM 3335 CB VAL H 100B 123.077 117.559 95.085 1.00 74.47 C +ATOM 3336 CG1 VAL H 100B 123.447 116.135 95.415 1.00 74.47 C +ATOM 3337 CG2 VAL H 100B 124.279 118.441 95.257 1.00 74.47 C +ATOM 3338 H VAL H 100B 121.861 119.453 94.235 1.00 74.47 H +ATOM 3339 HA VAL H 100B 123.303 117.727 93.053 1.00 74.47 H +ATOM 3340 HB VAL H 100B 122.394 117.852 95.708 1.00 74.47 H +ATOM 3341 HG11 VAL H 100B 124.056 116.147 96.169 1.00 74.47 H +ATOM 3342 HG12 VAL H 100B 122.641 115.656 95.662 1.00 74.47 H +ATOM 3343 HG13 VAL H 100B 123.882 115.716 94.656 1.00 74.47 H +ATOM 3344 HG21 VAL H 100B 124.435 118.572 96.202 1.00 74.47 H +ATOM 3345 HG22 VAL H 100B 125.047 118.013 94.848 1.00 74.47 H +ATOM 3346 HG23 VAL H 100B 124.103 119.288 94.825 1.00 74.47 H +ATOM 3347 N TRP H 100C 120.468 116.428 93.823 1.00 69.70 N +ATOM 3348 CA TRP H 100C 119.484 115.354 93.614 1.00 69.70 C +ATOM 3349 C TRP H 100C 120.082 113.982 93.932 1.00 69.70 C +ATOM 3350 O TRP H 100C 120.159 113.104 93.090 1.00 69.70 O +ATOM 3351 CB TRP H 100C 118.832 115.386 92.205 1.00 69.70 C +ATOM 3352 CG TRP H 100C 119.654 115.093 90.919 1.00 69.70 C +ATOM 3353 CD1 TRP H 100C 120.334 116.002 90.173 1.00 69.70 C +ATOM 3354 CD2 TRP H 100C 119.798 113.836 90.220 1.00 69.70 C +ATOM 3355 NE1 TRP H 100C 120.921 115.406 89.094 1.00 69.70 N +ATOM 3356 CE2 TRP H 100C 120.607 114.076 89.098 1.00 69.70 C +ATOM 3357 CE3 TRP H 100C 119.334 112.536 90.440 1.00 69.70 C +ATOM 3358 CZ2 TRP H 100C 120.968 113.071 88.212 1.00 69.70 C +ATOM 3359 CZ3 TRP H 100C 119.705 111.543 89.568 1.00 69.70 C +ATOM 3360 CH2 TRP H 100C 120.507 111.814 88.464 1.00 69.70 C +ATOM 3361 H TRP H 100C 120.187 117.018 94.380 1.00 69.70 H +ATOM 3362 HA TRP H 100C 118.767 115.495 94.251 1.00 69.70 H +ATOM 3363 HB2 TRP H 100C 118.105 114.745 92.212 1.00 69.70 H +ATOM 3364 HB3 TRP H 100C 118.457 116.273 92.086 1.00 69.70 H +ATOM 3365 HD1 TRP H 100C 120.402 116.891 90.369 1.00 69.70 H +ATOM 3366 HE1 TRP H 100C 121.406 115.803 88.505 1.00 69.70 H +ATOM 3367 HE3 TRP H 100C 118.808 112.342 91.183 1.00 69.70 H +ATOM 3368 HZ2 TRP H 100C 121.503 113.251 87.473 1.00 69.70 H +ATOM 3369 HZ3 TRP H 100C 119.404 110.675 89.711 1.00 69.70 H +ATOM 3370 HH2 TRP H 100C 120.732 111.123 87.885 1.00 69.70 H +ATOM 3371 N ARG H 100D 120.497 113.803 95.187 1.00 76.34 N +ATOM 3372 CA ARG H 100D 121.159 112.562 95.572 1.00 76.34 C +ATOM 3373 C ARG H 100D 120.387 111.685 96.547 1.00 76.34 C +ATOM 3374 O ARG H 100D 120.559 110.467 96.494 1.00 76.34 O +ATOM 3375 CB ARG H 100D 122.531 112.879 96.171 1.00 76.34 C +ATOM 3376 CG ARG H 100D 123.361 111.668 96.458 1.00 76.34 C +ATOM 3377 CD ARG H 100D 124.810 112.032 96.635 1.00 76.34 C +ATOM 3378 NE ARG H 100D 125.460 112.418 95.384 1.00 76.34 N +ATOM 3379 CZ ARG H 100D 126.560 113.156 95.285 1.00 76.34 C +ATOM 3380 NH1 ARG H 100D 127.130 113.708 96.344 1.00 76.34 N1+ +ATOM 3381 NH2 ARG H 100D 127.104 113.351 94.087 1.00 76.34 N +ATOM 3382 H ARG H 100D 120.412 114.376 95.822 1.00 76.34 H +ATOM 3383 HA ARG H 100D 121.340 112.002 94.805 1.00 76.34 H +ATOM 3384 HB2 ARG H 100D 123.020 113.410 95.529 1.00 76.34 H +ATOM 3385 HB3 ARG H 100D 122.414 113.369 97.000 1.00 76.34 H +ATOM 3386 HG2 ARG H 100D 123.055 111.262 97.283 1.00 76.34 H +ATOM 3387 HG3 ARG H 100D 123.283 111.044 95.727 1.00 76.34 H +ATOM 3388 HD2 ARG H 100D 124.875 112.749 97.283 1.00 76.34 H +ATOM 3389 HD3 ARG H 100D 125.263 111.238 96.953 1.00 76.34 H +ATOM 3390 HE ARG H 100D 125.049 112.226 94.654 1.00 76.34 H +ATOM 3391 HH11 ARG H 100D 126.802 113.601 97.127 1.00 76.34 H +ATOM 3392 HH12 ARG H 100D 127.839 114.184 96.244 1.00 76.34 H +ATOM 3393 HH21 ARG H 100D 126.741 113.003 93.392 1.00 76.34 H +ATOM 3394 HH22 ARG H 100D 127.812 113.834 94.009 1.00 76.34 H +ATOM 3395 N TYR H 100E 119.545 112.237 97.422 1.00 77.56 N +ATOM 3396 CA TYR H 100E 118.807 111.427 98.383 1.00 77.56 C +ATOM 3397 C TYR H 100E 117.305 111.493 98.133 1.00 77.56 C +ATOM 3398 O TYR H 100E 116.778 112.510 97.676 1.00 77.56 O +ATOM 3399 CB TYR H 100E 119.128 111.893 99.792 1.00 77.56 C +ATOM 3400 CG TYR H 100E 120.608 112.039 100.036 1.00 77.56 C +ATOM 3401 CD1 TYR H 100E 121.458 110.951 99.929 1.00 77.56 C +ATOM 3402 CD2 TYR H 100E 121.158 113.271 100.355 1.00 77.56 C +ATOM 3403 CE1 TYR H 100E 122.809 111.082 100.150 1.00 77.56 C +ATOM 3404 CE2 TYR H 100E 122.511 113.411 100.576 1.00 77.56 C +ATOM 3405 CZ TYR H 100E 123.331 112.313 100.471 1.00 77.56 C +ATOM 3406 OH TYR H 100E 124.681 112.449 100.691 1.00 77.56 O +ATOM 3407 H TYR H 100E 119.385 113.080 97.475 1.00 77.56 H +ATOM 3408 HA TYR H 100E 119.058 110.494 98.338 1.00 77.56 H +ATOM 3409 HB2 TYR H 100E 118.730 112.759 99.926 1.00 77.56 H +ATOM 3410 HB3 TYR H 100E 118.774 111.255 100.431 1.00 77.56 H +ATOM 3411 HD1 TYR H 100E 121.107 110.117 99.715 1.00 77.56 H +ATOM 3412 HD2 TYR H 100E 120.603 114.014 100.428 1.00 77.56 H +ATOM 3413 HE1 TYR H 100E 123.368 110.341 100.079 1.00 77.56 H +ATOM 3414 HE2 TYR H 100E 122.866 114.243 100.793 1.00 77.56 H +ATOM 3415 HH TYR H 100E 124.863 113.248 100.872 1.00 77.56 H +ATOM 3416 N PHE H 100F 116.620 110.388 98.447 1.00 74.52 N +ATOM 3417 CA PHE H 100F 115.157 110.290 98.406 1.00 74.52 C +ATOM 3418 C PHE H 100F 114.644 110.352 99.846 1.00 74.52 C +ATOM 3419 O PHE H 100F 114.717 109.351 100.560 1.00 74.52 O +ATOM 3420 CB PHE H 100F 114.743 108.975 97.744 1.00 74.52 C +ATOM 3421 CG PHE H 100F 115.361 108.726 96.378 1.00 74.52 C +ATOM 3422 CD1 PHE H 100F 115.883 109.742 95.604 1.00 74.52 C +ATOM 3423 CD2 PHE H 100F 115.468 107.437 95.896 1.00 74.52 C +ATOM 3424 CE1 PHE H 100F 116.459 109.467 94.392 1.00 74.52 C +ATOM 3425 CE2 PHE H 100F 116.045 107.177 94.682 1.00 74.52 C +ATOM 3426 CZ PHE H 100F 116.532 108.190 93.932 1.00 74.52 C +ATOM 3427 H PHE H 100F 117.003 109.655 98.675 1.00 74.52 H +ATOM 3428 HA PHE H 100F 114.778 111.030 97.906 1.00 74.52 H +ATOM 3429 HB2 PHE H 100F 114.998 108.238 98.319 1.00 74.52 H +ATOM 3430 HB3 PHE H 100F 113.780 108.980 97.631 1.00 74.52 H +ATOM 3431 HD1 PHE H 100F 115.840 110.622 95.901 1.00 74.52 H +ATOM 3432 HD2 PHE H 100F 115.142 106.730 96.390 1.00 74.52 H +ATOM 3433 HE1 PHE H 100F 116.800 110.152 93.879 1.00 74.52 H +ATOM 3434 HE2 PHE H 100F 116.095 106.303 94.369 1.00 74.52 H +ATOM 3435 HZ PHE H 100F 116.924 108.013 93.108 1.00 74.52 H +ATOM 3436 N ASP H 101 114.112 111.495 100.291 1.00 80.48 N +ATOM 3437 CA ASP H 101 113.715 111.597 101.698 1.00 80.48 C +ATOM 3438 C ASP H 101 112.254 111.260 101.994 1.00 80.48 C +ATOM 3439 O ASP H 101 111.888 111.210 103.173 1.00 80.48 O +ATOM 3440 CB ASP H 101 113.963 113.003 102.226 1.00 80.48 C +ATOM 3441 CG ASP H 101 112.976 113.996 101.685 1.00 80.48 C +ATOM 3442 OD1 ASP H 101 112.456 113.780 100.571 1.00 80.48 O +ATOM 3443 OD2 ASP H 101 112.704 114.995 102.382 1.00 80.48 O1- +ATOM 3444 H ASP H 101 113.975 112.201 99.819 1.00 80.48 H +ATOM 3445 HA ASP H 101 114.261 111.010 102.241 1.00 80.48 H +ATOM 3446 HB2 ASP H 101 113.884 112.997 103.192 1.00 80.48 H +ATOM 3447 HB3 ASP H 101 114.853 113.286 101.967 1.00 80.48 H +ATOM 3448 N LEU H 102 111.405 111.048 100.990 1.00 80.15 N +ATOM 3449 CA LEU H 102 109.978 110.878 101.257 1.00 80.15 C +ATOM 3450 C LEU H 102 109.345 110.208 100.051 1.00 80.15 C +ATOM 3451 O LEU H 102 109.559 110.647 98.920 1.00 80.15 O +ATOM 3452 CB LEU H 102 109.300 112.219 101.556 1.00 80.15 C +ATOM 3453 CG LEU H 102 107.978 112.210 102.337 1.00 80.15 C +ATOM 3454 CD1 LEU H 102 107.568 113.639 102.678 1.00 80.15 C +ATOM 3455 CD2 LEU H 102 106.851 111.500 101.594 1.00 80.15 C +ATOM 3456 H LEU H 102 111.623 111.000 100.160 1.00 80.15 H +ATOM 3457 HA LEU H 102 109.856 110.296 102.023 1.00 80.15 H +ATOM 3458 HB2 LEU H 102 109.921 112.786 102.040 1.00 80.15 H +ATOM 3459 HB3 LEU H 102 109.097 112.621 100.701 1.00 80.15 H +ATOM 3460 HG LEU H 102 108.120 111.740 103.174 1.00 80.15 H +ATOM 3461 HD11 LEU H 102 106.764 113.618 103.221 1.00 80.15 H +ATOM 3462 HD12 LEU H 102 108.286 114.060 103.177 1.00 80.15 H +ATOM 3463 HD13 LEU H 102 107.403 114.130 101.859 1.00 80.15 H +ATOM 3464 HD21 LEU H 102 106.000 111.882 101.862 1.00 80.15 H +ATOM 3465 HD22 LEU H 102 106.977 111.617 100.639 1.00 80.15 H +ATOM 3466 HD23 LEU H 102 106.876 110.555 101.815 1.00 80.15 H +ATOM 3467 N TRP H 103 108.562 109.163 100.289 1.00 76.87 N +ATOM 3468 CA TRP H 103 108.147 108.248 99.238 1.00 76.87 C +ATOM 3469 C TRP H 103 106.631 108.157 99.144 1.00 76.87 C +ATOM 3470 O TRP H 103 105.934 108.082 100.161 1.00 76.87 O +ATOM 3471 CB TRP H 103 108.726 106.862 99.495 1.00 76.87 C +ATOM 3472 CG TRP H 103 110.215 106.819 99.417 1.00 76.87 C +ATOM 3473 CD1 TRP H 103 111.105 107.422 100.258 1.00 76.87 C +ATOM 3474 CD2 TRP H 103 110.993 106.123 98.446 1.00 76.87 C +ATOM 3475 NE1 TRP H 103 112.385 107.147 99.866 1.00 76.87 N +ATOM 3476 CE2 TRP H 103 112.343 106.350 98.755 1.00 76.87 C +ATOM 3477 CE3 TRP H 103 110.679 105.329 97.342 1.00 76.87 C +ATOM 3478 CZ2 TRP H 103 113.372 105.809 98.010 1.00 76.87 C +ATOM 3479 CZ3 TRP H 103 111.705 104.798 96.597 1.00 76.87 C +ATOM 3480 CH2 TRP H 103 113.035 105.044 96.931 1.00 76.87 C +ATOM 3481 H TRP H 103 108.255 108.960 101.066 1.00 76.87 H +ATOM 3482 HA TRP H 103 108.476 108.546 98.377 1.00 76.87 H +ATOM 3483 HB2 TRP H 103 108.466 106.573 100.383 1.00 76.87 H +ATOM 3484 HB3 TRP H 103 108.374 106.249 98.831 1.00 76.87 H +ATOM 3485 HD1 TRP H 103 110.873 107.946 100.990 1.00 76.87 H +ATOM 3486 HE1 TRP H 103 113.099 107.427 100.256 1.00 76.87 H +ATOM 3487 HE3 TRP H 103 109.794 105.163 97.117 1.00 76.87 H +ATOM 3488 HZ2 TRP H 103 114.261 105.974 98.225 1.00 76.87 H +ATOM 3489 HZ3 TRP H 103 111.509 104.268 95.859 1.00 76.87 H +ATOM 3490 HH2 TRP H 103 113.710 104.671 96.411 1.00 76.87 H +ATOM 3491 N GLY H 104 106.136 108.169 97.909 1.00 80.62 N +ATOM 3492 CA GLY H 104 104.770 107.773 97.653 1.00 80.62 C +ATOM 3493 C GLY H 104 104.565 106.297 97.927 1.00 80.62 C +ATOM 3494 O GLY H 104 105.501 105.504 97.927 1.00 80.62 O +ATOM 3495 H GLY H 104 106.575 108.401 97.207 1.00 80.62 H +ATOM 3496 HA2 GLY H 104 104.173 108.278 98.227 1.00 80.62 H +ATOM 3497 HA3 GLY H 104 104.540 107.955 96.728 1.00 80.62 H +ATOM 3498 N ARG H 105 103.310 105.922 98.183 1.00 82.78 N +ATOM 3499 CA ARG H 105 103.008 104.557 98.604 1.00 82.78 C +ATOM 3500 C ARG H 105 103.357 103.508 97.554 1.00 82.78 C +ATOM 3501 O ARG H 105 103.409 102.320 97.888 1.00 82.78 O +ATOM 3502 CB ARG H 105 101.519 104.436 98.932 1.00 82.78 C +ATOM 3503 CG ARG H 105 101.119 104.815 100.346 1.00 82.78 C +ATOM 3504 CD ARG H 105 99.663 104.436 100.722 1.00 82.78 C +ATOM 3505 NE ARG H 105 98.647 104.849 99.753 1.00 82.78 N +ATOM 3506 CZ ARG H 105 98.325 104.213 98.630 1.00 82.78 C +ATOM 3507 NH1 ARG H 105 98.797 103.009 98.346 1.00 82.78 N1+ +ATOM 3508 NH2 ARG H 105 97.473 104.785 97.785 1.00 82.78 N +ATOM 3509 H ARG H 105 102.626 106.438 98.123 1.00 82.78 H +ATOM 3510 HA ARG H 105 103.513 104.354 99.406 1.00 82.78 H +ATOM 3511 HB2 ARG H 105 101.018 105.007 98.333 1.00 82.78 H +ATOM 3512 HB3 ARG H 105 101.281 103.510 98.797 1.00 82.78 H +ATOM 3513 HG2 ARG H 105 101.709 104.364 100.969 1.00 82.78 H +ATOM 3514 HG3 ARG H 105 101.207 105.776 100.447 1.00 82.78 H +ATOM 3515 HD2 ARG H 105 99.605 103.474 100.831 1.00 82.78 H +ATOM 3516 HD3 ARG H 105 99.444 104.865 101.564 1.00 82.78 H +ATOM 3517 HE ARG H 105 98.240 105.591 99.908 1.00 82.78 H +ATOM 3518 HH11 ARG H 105 99.344 102.616 98.877 1.00 82.78 H +ATOM 3519 HH12 ARG H 105 98.560 102.620 97.617 1.00 82.78 H +ATOM 3520 HH21 ARG H 105 97.152 105.564 97.958 1.00 82.78 H +ATOM 3521 HH22 ARG H 105 97.247 104.378 97.062 1.00 82.78 H +ATOM 3522 N GLY H 106 103.590 103.907 96.308 1.00 80.01 N +ATOM 3523 CA GLY H 106 103.918 102.995 95.233 1.00 80.01 C +ATOM 3524 C GLY H 106 102.679 102.479 94.534 1.00 80.01 C +ATOM 3525 O GLY H 106 101.775 101.953 95.190 1.00 80.01 O +ATOM 3526 H GLY H 106 103.573 104.727 96.053 1.00 80.01 H +ATOM 3527 HA2 GLY H 106 104.476 103.448 94.585 1.00 80.01 H +ATOM 3528 HA3 GLY H 106 104.412 102.244 95.593 1.00 80.01 H +ATOM 3529 N THR H 107 102.626 102.619 93.211 1.00 82.05 N +ATOM 3530 CA THR H 107 101.502 102.151 92.404 1.00 82.05 C +ATOM 3531 C THR H 107 101.905 100.947 91.565 1.00 82.05 C +ATOM 3532 O THR H 107 102.955 100.966 90.914 1.00 82.05 O +ATOM 3533 CB THR H 107 100.963 103.252 91.495 1.00 82.05 C +ATOM 3534 OG1 THR H 107 99.776 102.787 90.876 1.00 82.05 O +ATOM 3535 CG2 THR H 107 101.957 103.642 90.443 1.00 82.05 C +ATOM 3536 H THR H 107 103.249 102.992 92.754 1.00 82.05 H +ATOM 3537 HA THR H 107 100.772 101.874 92.977 1.00 82.05 H +ATOM 3538 HB THR H 107 100.714 104.032 91.976 1.00 82.05 H +ATOM 3539 HG1 THR H 107 99.248 103.429 90.755 1.00 82.05 H +ATOM 3540 HG21 THR H 107 101.813 104.574 90.218 1.00 82.05 H +ATOM 3541 HG22 THR H 107 102.867 103.530 90.753 1.00 82.05 H +ATOM 3542 HG23 THR H 107 101.828 103.092 89.654 1.00 82.05 H +ATOM 3543 N LEU H 108 101.112 99.881 91.633 1.00 81.57 N +ATOM 3544 CA LEU H 108 101.304 98.767 90.716 1.00 81.57 C +ATOM 3545 C LEU H 108 101.207 99.218 89.260 1.00 81.57 C +ATOM 3546 O LEU H 108 100.286 99.945 88.864 1.00 81.57 O +ATOM 3547 CB LEU H 108 100.271 97.674 91.002 1.00 81.57 C +ATOM 3548 CG LEU H 108 100.121 96.514 90.010 1.00 81.57 C +ATOM 3549 CD1 LEU H 108 101.416 95.722 89.899 1.00 81.57 C +ATOM 3550 CD2 LEU H 108 98.983 95.611 90.447 1.00 81.57 C +ATOM 3551 H LEU H 108 100.464 99.781 92.189 1.00 81.57 H +ATOM 3552 HA LEU H 108 102.187 98.391 90.855 1.00 81.57 H +ATOM 3553 HB2 LEU H 108 100.492 97.280 91.860 1.00 81.57 H +ATOM 3554 HB3 LEU H 108 99.402 98.100 91.066 1.00 81.57 H +ATOM 3555 HG LEU H 108 99.893 96.844 89.128 1.00 81.57 H +ATOM 3556 HD11 LEU H 108 101.287 94.997 89.267 1.00 81.57 H +ATOM 3557 HD12 LEU H 108 102.127 96.303 89.593 1.00 81.57 H +ATOM 3558 HD13 LEU H 108 101.638 95.361 90.772 1.00 81.57 H +ATOM 3559 HD21 LEU H 108 98.898 94.880 89.815 1.00 81.57 H +ATOM 3560 HD22 LEU H 108 99.178 95.264 91.332 1.00 81.57 H +ATOM 3561 HD23 LEU H 108 98.162 96.128 90.468 1.00 81.57 H +ATOM 3562 N VAL H 109 102.106 98.679 88.443 1.00 83.71 N +ATOM 3563 CA VAL H 109 102.049 98.775 86.992 1.00 83.71 C +ATOM 3564 C VAL H 109 102.447 97.412 86.458 1.00 83.71 C +ATOM 3565 O VAL H 109 103.455 96.850 86.898 1.00 83.71 O +ATOM 3566 CB VAL H 109 102.982 99.869 86.439 1.00 83.71 C +ATOM 3567 CG1 VAL H 109 102.977 99.850 84.916 1.00 83.71 C +ATOM 3568 CG2 VAL H 109 102.573 101.227 86.968 1.00 83.71 C +ATOM 3569 H VAL H 109 102.788 98.234 88.721 1.00 83.71 H +ATOM 3570 HA VAL H 109 101.143 98.969 86.708 1.00 83.71 H +ATOM 3571 HB VAL H 109 103.888 99.691 86.736 1.00 83.71 H +ATOM 3572 HG11 VAL H 109 103.263 100.715 84.585 1.00 83.71 H +ATOM 3573 HG12 VAL H 109 103.587 99.164 84.602 1.00 83.71 H +ATOM 3574 HG13 VAL H 109 102.077 99.663 84.606 1.00 83.71 H +ATOM 3575 HG21 VAL H 109 103.142 101.906 86.572 1.00 83.71 H +ATOM 3576 HG22 VAL H 109 101.647 101.392 86.731 1.00 83.71 H +ATOM 3577 HG23 VAL H 109 102.675 101.238 87.932 1.00 83.71 H +ATOM 3578 N THR H 110 101.657 96.872 85.534 1.00 90.06 N +ATOM 3579 CA THR H 110 101.879 95.520 85.039 1.00 90.06 C +ATOM 3580 C THR H 110 101.663 95.472 83.533 1.00 90.06 C +ATOM 3581 O THR H 110 100.915 96.274 82.960 1.00 90.06 O +ATOM 3582 CB THR H 110 100.980 94.496 85.751 1.00 90.06 C +ATOM 3583 OG1 THR H 110 101.321 93.175 85.316 1.00 90.06 O +ATOM 3584 CG2 THR H 110 99.521 94.747 85.466 1.00 90.06 C +ATOM 3585 H THR H 110 100.984 97.270 85.176 1.00 90.06 H +ATOM 3586 HA THR H 110 102.797 95.255 85.195 1.00 90.06 H +ATOM 3587 HB THR H 110 101.117 94.562 86.709 1.00 90.06 H +ATOM 3588 HG1 THR H 110 100.813 92.613 85.678 1.00 90.06 H +ATOM 3589 HG21 THR H 110 98.975 94.312 86.140 1.00 90.06 H +ATOM 3590 HG22 THR H 110 99.324 95.695 85.471 1.00 90.06 H +ATOM 3591 HG23 THR H 110 99.294 94.381 84.600 1.00 90.06 H +ATOM 3592 N VAL H 111 102.369 94.545 82.891 1.00 93.56 N +ATOM 3593 CA VAL H 111 102.330 94.421 81.441 1.00 93.56 C +ATOM 3594 C VAL H 111 102.282 92.952 81.048 1.00 93.56 C +ATOM 3595 O VAL H 111 103.070 92.138 81.539 1.00 93.56 O +ATOM 3596 CB VAL H 111 103.526 95.135 80.783 1.00 93.56 C +ATOM 3597 CG1 VAL H 111 103.329 96.638 80.836 1.00 93.56 C +ATOM 3598 CG2 VAL H 111 104.820 94.776 81.484 1.00 93.56 C +ATOM 3599 H VAL H 111 102.882 93.972 83.276 1.00 93.56 H +ATOM 3600 HA VAL H 111 101.517 94.811 81.134 1.00 93.56 H +ATOM 3601 HB VAL H 111 103.593 94.866 79.854 1.00 93.56 H +ATOM 3602 HG11 VAL H 111 104.062 97.067 80.369 1.00 93.56 H +ATOM 3603 HG12 VAL H 111 102.488 96.862 80.408 1.00 93.56 H +ATOM 3604 HG13 VAL H 111 103.315 96.925 81.763 1.00 93.56 H +ATOM 3605 HG21 VAL H 111 105.554 95.079 80.933 1.00 93.56 H +ATOM 3606 HG22 VAL H 111 104.855 95.228 82.341 1.00 93.56 H +ATOM 3607 HG23 VAL H 111 104.880 93.817 81.607 1.00 93.56 H +ATOM 3608 N SER H 112 101.344 92.622 80.163 1.00104.09 N +ATOM 3609 CA SER H 112 101.163 91.278 79.633 1.00104.09 C +ATOM 3610 C SER H 112 100.078 91.346 78.569 1.00104.09 C +ATOM 3611 O SER H 112 99.335 92.327 78.478 1.00104.09 O +ATOM 3612 CB SER H 112 100.786 90.278 80.727 1.00104.09 C +ATOM 3613 OG SER H 112 100.418 89.032 80.163 1.00104.09 O +ATOM 3614 H SER H 112 100.779 93.186 79.843 1.00104.09 H +ATOM 3615 HA SER H 112 101.986 90.981 79.214 1.00104.09 H +ATOM 3616 HB2 SER H 112 101.547 90.144 81.313 1.00104.09 H +ATOM 3617 HB3 SER H 112 100.036 90.630 81.232 1.00104.09 H +ATOM 3618 HG SER H 112 100.177 88.502 80.768 1.00104.09 H +ATOM 3619 N GLY H 113 99.993 90.288 77.764 1.00107.58 N +ATOM 3620 CA GLY H 113 98.913 90.144 76.809 1.00107.58 C +ATOM 3621 C GLY H 113 97.684 89.444 77.339 1.00107.58 C +ATOM 3622 O GLY H 113 96.642 89.451 76.675 1.00107.58 O +ATOM 3623 H GLY H 113 100.557 89.639 77.755 1.00107.58 H +ATOM 3624 HA2 GLY H 113 98.645 91.019 76.486 1.00107.58 H +ATOM 3625 HA3 GLY H 113 99.236 89.636 76.049 1.00107.58 H +TER 3626 GLY H 113 +ATOM 3627 N ARG A 1 110.292 126.055 45.069 1.00104.83 N +ATOM 3628 CA ARG A 1 111.260 126.900 45.757 1.00104.83 C +ATOM 3629 C ARG A 1 111.453 126.441 47.198 1.00104.83 C +ATOM 3630 O ARG A 1 112.576 126.170 47.621 1.00104.83 O +ATOM 3631 CB ARG A 1 110.814 128.365 45.725 1.00104.83 C +ATOM 3632 CG ARG A 1 111.944 129.365 45.919 1.00104.83 C +ATOM 3633 CD ARG A 1 112.668 129.641 44.613 1.00104.83 C +ATOM 3634 NE ARG A 1 114.013 130.161 44.835 1.00104.83 N +ATOM 3635 CZ ARG A 1 115.008 130.108 43.957 1.00104.83 C +ATOM 3636 NH1 ARG A 1 114.854 129.574 42.755 1.00104.83 N1+ +ATOM 3637 NH2 ARG A 1 116.194 130.605 44.295 1.00104.83 N +ATOM 3638 N VAL A 2 110.351 126.336 47.931 1.00127.34 N +ATOM 3639 CA VAL A 2 110.378 125.987 49.339 1.00127.34 C +ATOM 3640 C VAL A 2 109.919 124.537 49.461 1.00127.34 C +ATOM 3641 O VAL A 2 109.357 123.963 48.531 1.00127.34 O +ATOM 3642 CB VAL A 2 109.503 126.974 50.172 1.00127.34 C +ATOM 3643 CG1 VAL A 2 109.554 126.685 51.676 1.00127.34 C +ATOM 3644 CG2 VAL A 2 109.926 128.421 49.890 1.00127.34 C +ATOM 3645 N GLN A 3 110.169 123.924 50.624 1.00124.22 N +ATOM 3646 CA GLN A 3 109.973 122.492 50.814 1.00124.22 C +ATOM 3647 C GLN A 3 109.441 122.200 52.216 1.00124.22 C +ATOM 3648 O GLN A 3 109.479 123.082 53.083 1.00124.22 O +ATOM 3649 CB GLN A 3 111.289 121.751 50.566 1.00124.22 C +ATOM 3650 CG GLN A 3 111.769 121.767 49.111 1.00124.22 C +ATOM 3651 CD GLN A 3 110.803 121.102 48.147 1.00124.22 C +ATOM 3652 OE1 GLN A 3 110.048 120.208 48.522 1.00124.22 O +ATOM 3653 NE2 GLN A 3 110.824 121.542 46.894 1.00124.22 N +ATOM 3654 N PRO A 4 108.922 120.992 52.470 1.00124.04 N +ATOM 3655 CA PRO A 4 108.415 120.665 53.810 1.00124.04 C +ATOM 3656 C PRO A 4 109.449 120.840 54.915 1.00124.04 C +ATOM 3657 O PRO A 4 110.654 120.673 54.718 1.00124.04 O +ATOM 3658 CB PRO A 4 107.971 119.200 53.679 1.00124.04 C +ATOM 3659 CG PRO A 4 108.462 118.738 52.351 1.00124.04 C +ATOM 3660 CD PRO A 4 108.520 119.953 51.507 1.00124.04 C +ATOM 3661 N THR A 5 108.930 121.176 56.096 1.00132.77 N +ATOM 3662 CA THR A 5 109.593 121.819 57.229 1.00132.77 C +ATOM 3663 C THR A 5 111.012 121.365 57.568 1.00132.77 C +ATOM 3664 O THR A 5 111.888 122.208 57.791 1.00132.77 O +ATOM 3665 CB THR A 5 108.720 121.614 58.469 1.00132.77 C +ATOM 3666 OG1 THR A 5 107.376 122.012 58.176 1.00132.77 O +ATOM 3667 CG2 THR A 5 109.248 122.421 59.647 1.00132.77 C +ATOM 3668 N GLU A 6 111.265 120.058 57.611 1.00119.99 N +ATOM 3669 CA GLU A 6 112.261 119.462 58.500 1.00119.99 C +ATOM 3670 C GLU A 6 113.708 119.851 58.178 1.00119.99 C +ATOM 3671 O GLU A 6 114.598 119.550 58.981 1.00119.99 O +ATOM 3672 CB GLU A 6 112.105 117.939 58.449 1.00119.99 C +ATOM 3673 CG GLU A 6 112.941 117.166 59.464 1.00119.99 C +ATOM 3674 CD GLU A 6 114.204 116.558 58.870 1.00119.99 C +ATOM 3675 OE1 GLU A 6 114.145 116.006 57.750 1.00119.99 O +ATOM 3676 OE2 GLU A 6 115.261 116.630 59.530 1.00119.99 O1- +ATOM 3677 N SER A 7 113.970 120.529 57.060 1.00124.27 N +ATOM 3678 CA SER A 7 115.308 120.701 56.497 1.00124.27 C +ATOM 3679 C SER A 7 116.163 121.784 57.198 1.00124.27 C +ATOM 3680 O SER A 7 117.210 122.151 56.650 1.00124.27 O +ATOM 3681 CB SER A 7 115.196 121.027 55.006 1.00124.27 C +ATOM 3682 OG SER A 7 116.476 121.160 54.416 1.00124.27 O +ATOM 3683 N ILE A 8 115.765 122.309 58.360 1.00120.41 N +ATOM 3684 CA ILE A 8 116.505 123.398 59.001 1.00120.41 C +ATOM 3685 C ILE A 8 117.737 122.835 59.709 1.00120.41 C +ATOM 3686 O ILE A 8 117.781 121.658 60.077 1.00120.41 O +ATOM 3687 CB ILE A 8 115.578 124.143 59.985 1.00120.41 C +ATOM 3688 CG1 ILE A 8 116.112 125.529 60.370 1.00120.41 C +ATOM 3689 CG2 ILE A 8 115.357 123.309 61.247 1.00120.41 C +ATOM 3690 CD1 ILE A 8 116.048 126.559 59.261 1.00120.41 C +ATOM 3691 N VAL A 9 118.746 123.685 59.929 1.00121.21 N +ATOM 3692 CA VAL A 9 120.059 123.216 60.377 1.00121.21 C +ATOM 3693 C VAL A 9 120.824 124.331 61.094 1.00121.21 C +ATOM 3694 O VAL A 9 120.506 125.512 60.976 1.00121.21 O +ATOM 3695 CB VAL A 9 120.905 122.637 59.208 1.00121.21 C +ATOM 3696 CG1 VAL A 9 120.411 121.251 58.788 1.00121.21 C +ATOM 3697 CG2 VAL A 9 120.944 123.581 58.015 1.00121.21 C +ATOM 3698 N ARG A 10 121.797 123.908 61.897 1.00122.58 N +ATOM 3699 CA ARG A 10 122.433 124.582 63.034 1.00122.58 C +ATOM 3700 C ARG A 10 123.934 124.239 62.998 1.00122.58 C +ATOM 3701 O ARG A 10 124.474 123.876 61.950 1.00122.58 O +ATOM 3702 CB ARG A 10 121.654 124.287 64.328 1.00122.58 C +ATOM 3703 CG ARG A 10 121.675 122.882 64.818 1.00122.58 C +ATOM 3704 CD ARG A 10 121.868 122.781 66.310 1.00122.58 C +ATOM 3705 NE ARG A 10 123.265 123.030 66.618 1.00122.58 N +ATOM 3706 CZ ARG A 10 123.844 122.833 67.792 1.00122.58 C +ATOM 3707 NH1 ARG A 10 123.156 122.454 68.857 1.00122.58 N1+ +ATOM 3708 NH2 ARG A 10 125.158 122.993 67.891 1.00122.58 N +ATOM 3709 N PHE A 11 124.640 124.523 64.108 1.00124.95 N +ATOM 3710 CA PHE A 11 126.009 124.066 64.444 1.00124.95 C +ATOM 3711 C PHE A 11 127.194 124.478 63.563 1.00124.95 C +ATOM 3712 O PHE A 11 127.920 123.646 63.018 1.00124.95 O +ATOM 3713 CB PHE A 11 126.045 122.517 64.689 1.00124.95 C +ATOM 3714 CG PHE A 11 125.938 121.592 63.457 1.00124.95 C +ATOM 3715 CD1 PHE A 11 124.719 121.209 62.961 1.00124.95 C +ATOM 3716 CD2 PHE A 11 127.059 120.968 62.928 1.00124.95 C +ATOM 3717 CE1 PHE A 11 124.606 120.384 61.899 1.00124.95 C +ATOM 3718 CE2 PHE A 11 126.948 120.126 61.857 1.00124.95 C +ATOM 3719 CZ PHE A 11 125.706 119.831 61.358 1.00124.95 C +ATOM 3720 N PRO A 12 127.486 125.766 63.474 1.00126.15 N +ATOM 3721 CA PRO A 12 128.744 126.167 62.827 1.00126.15 C +ATOM 3722 C PRO A 12 129.929 125.808 63.727 1.00126.15 C +ATOM 3723 O PRO A 12 130.558 126.624 64.407 1.00126.15 O +ATOM 3724 CB PRO A 12 128.582 127.680 62.641 1.00126.15 C +ATOM 3725 CG PRO A 12 127.647 128.093 63.708 1.00126.15 C +ATOM 3726 CD PRO A 12 126.755 126.921 64.015 1.00126.15 C +ATOM 3727 N ASN A 13 130.180 124.494 63.685 1.00127.74 N +ATOM 3728 CA ASN A 13 130.952 123.652 64.602 1.00127.74 C +ATOM 3729 C ASN A 13 132.244 124.273 65.120 1.00127.74 C +ATOM 3730 O ASN A 13 133.069 124.774 64.352 1.00127.74 O +ATOM 3731 CB ASN A 13 131.233 122.338 63.851 1.00127.74 C +ATOM 3732 CG ASN A 13 132.406 121.527 64.398 1.00127.74 C +ATOM 3733 OD1 ASN A 13 132.688 121.487 65.598 1.00127.74 O +ATOM 3734 ND2 ASN A 13 133.083 120.844 63.473 1.00127.74 N +ATOM 3735 N ILE A 14 132.398 124.228 66.448 1.00118.46 N +ATOM 3736 CA ILE A 14 133.585 124.683 67.169 1.00118.46 C +ATOM 3737 C ILE A 14 133.830 123.780 68.379 1.00118.46 C +ATOM 3738 O ILE A 14 133.036 122.874 68.657 1.00118.46 O +ATOM 3739 CB ILE A 14 133.433 126.165 67.580 1.00118.46 C +ATOM 3740 CG1 ILE A 14 132.234 126.374 68.525 1.00118.46 C +ATOM 3741 CG2 ILE A 14 133.314 127.057 66.357 1.00118.46 C +ATOM 3742 CD1 ILE A 14 132.171 127.757 69.138 1.00118.46 C +ATOM 3743 N THR A 15 134.946 124.000 69.091 1.00101.80 N +ATOM 3744 CA THR A 15 135.311 123.263 70.307 1.00101.80 C +ATOM 3745 C THR A 15 136.550 123.913 70.925 1.00101.80 C +ATOM 3746 O THR A 15 137.325 124.520 70.182 1.00101.80 O +ATOM 3747 CB THR A 15 135.599 121.778 70.011 1.00101.80 C +ATOM 3748 OG1 THR A 15 134.514 121.177 69.293 1.00101.80 O +ATOM 3749 CG2 THR A 15 135.823 120.991 71.295 1.00101.80 C +ATOM 3750 N ASN A 16 136.749 123.755 72.254 1.00100.38 N +ATOM 3751 CA ASN A 16 137.893 124.223 73.060 1.00100.38 C +ATOM 3752 C ASN A 16 137.474 124.491 74.509 1.00100.38 C +ATOM 3753 O ASN A 16 137.259 125.647 74.888 1.00100.38 O +ATOM 3754 CB ASN A 16 138.557 125.497 72.511 1.00100.38 C +ATOM 3755 CG ASN A 16 139.681 126.002 73.395 1.00100.38 C +ATOM 3756 OD1 ASN A 16 140.546 125.235 73.814 1.00100.38 O +ATOM 3757 ND2 ASN A 16 139.672 127.297 73.682 1.00100.38 N +ATOM 3758 N LEU A 17 137.295 123.442 75.315 1.00103.44 N +ATOM 3759 CA LEU A 17 136.877 123.641 76.699 1.00103.44 C +ATOM 3760 C LEU A 17 137.957 124.377 77.498 1.00103.44 C +ATOM 3761 O LEU A 17 139.112 124.482 77.079 1.00103.44 O +ATOM 3762 CB LEU A 17 136.571 122.294 77.348 1.00103.44 C +ATOM 3763 CG LEU A 17 135.377 121.542 76.753 1.00103.44 C +ATOM 3764 CD1 LEU A 17 135.256 120.161 77.388 1.00103.44 C +ATOM 3765 CD2 LEU A 17 134.091 122.324 76.887 1.00103.44 C +ATOM 3766 N CYS A 18 137.554 124.897 78.675 1.00 96.91 N +ATOM 3767 CA CYS A 18 138.345 125.910 79.379 1.00 96.91 C +ATOM 3768 C CYS A 18 138.589 125.669 80.876 1.00 96.91 C +ATOM 3769 O CYS A 18 138.055 124.707 81.441 1.00 96.91 O +ATOM 3770 CB CYS A 18 137.676 127.236 79.059 1.00 96.91 C +ATOM 3771 SG CYS A 18 136.210 127.835 79.896 1.00 96.91 S +ATOM 3772 N PRO A 19 139.407 126.534 81.566 1.00 98.88 N +ATOM 3773 CA PRO A 19 139.883 126.200 82.919 1.00 98.88 C +ATOM 3774 C PRO A 19 138.839 126.289 84.025 1.00 98.88 C +ATOM 3775 O PRO A 19 138.806 127.257 84.790 1.00 98.88 O +ATOM 3776 CB PRO A 19 141.026 127.201 83.146 1.00 98.88 C +ATOM 3777 CG PRO A 19 140.693 128.328 82.328 1.00 98.88 C +ATOM 3778 CD PRO A 19 140.025 127.795 81.110 1.00 98.88 C +ATOM 3779 N PHE A 20 137.954 125.297 84.082 1.00 93.60 N +ATOM 3780 CA PHE A 20 137.075 125.090 85.228 1.00 93.60 C +ATOM 3781 C PHE A 20 137.538 123.927 86.085 1.00 93.60 C +ATOM 3782 O PHE A 20 137.247 123.897 87.284 1.00 93.60 O +ATOM 3783 CB PHE A 20 135.627 124.825 84.779 1.00 93.60 C +ATOM 3784 CG PHE A 20 134.764 126.067 84.603 1.00 93.60 C +ATOM 3785 CD1 PHE A 20 135.289 127.355 84.596 1.00 93.60 C +ATOM 3786 CD2 PHE A 20 133.395 125.923 84.474 1.00 93.60 C +ATOM 3787 CE1 PHE A 20 134.470 128.453 84.444 1.00 93.60 C +ATOM 3788 CE2 PHE A 20 132.576 127.022 84.324 1.00 93.60 C +ATOM 3789 CZ PHE A 20 133.114 128.287 84.310 1.00 93.60 C +ATOM 3790 N GLY A 21 138.242 122.964 85.499 1.00 92.74 N +ATOM 3791 CA GLY A 21 139.004 122.041 86.317 1.00 92.74 C +ATOM 3792 C GLY A 21 140.086 122.756 87.102 1.00 92.74 C +ATOM 3793 O GLY A 21 140.307 122.467 88.279 1.00 92.74 O +ATOM 3794 N GLU A 22 140.735 123.742 86.483 1.00 99.00 N +ATOM 3795 CA GLU A 22 141.868 124.402 87.119 1.00 99.00 C +ATOM 3796 C GLU A 22 141.460 125.244 88.324 1.00 99.00 C +ATOM 3797 O GLU A 22 142.339 125.655 89.087 1.00 99.00 O +ATOM 3798 CB GLU A 22 142.584 125.276 86.076 1.00 99.00 C +ATOM 3799 CG GLU A 22 143.703 126.239 86.550 1.00 99.00 C +ATOM 3800 CD GLU A 22 144.767 125.635 87.473 1.00 99.00 C +ATOM 3801 OE1 GLU A 22 144.717 124.435 87.804 1.00 99.00 O +ATOM 3802 OE2 GLU A 22 145.679 126.390 87.872 1.00 99.00 O1- +ATOM 3803 N VAL A 23 140.164 125.477 88.533 1.00 94.65 N +ATOM 3804 CA VAL A 23 139.664 126.134 89.733 1.00 94.65 C +ATOM 3805 C VAL A 23 138.966 125.148 90.662 1.00 94.65 C +ATOM 3806 O VAL A 23 139.137 125.224 91.879 1.00 94.65 O +ATOM 3807 CB VAL A 23 138.740 127.325 89.388 1.00 94.65 C +ATOM 3808 CG1 VAL A 23 139.447 128.274 88.463 1.00 94.65 C +ATOM 3809 CG2 VAL A 23 137.438 126.878 88.769 1.00 94.65 C +ATOM 3810 N PHE A 24 138.175 124.217 90.119 1.00 88.64 N +ATOM 3811 CA PHE A 24 137.520 123.237 90.983 1.00 88.64 C +ATOM 3812 C PHE A 24 138.514 122.210 91.513 1.00 88.64 C +ATOM 3813 O PHE A 24 138.389 121.756 92.656 1.00 88.64 O +ATOM 3814 CB PHE A 24 136.407 122.507 90.223 1.00 88.64 C +ATOM 3815 CG PHE A 24 135.304 123.394 89.695 1.00 88.64 C +ATOM 3816 CD1 PHE A 24 135.035 124.639 90.239 1.00 88.64 C +ATOM 3817 CD2 PHE A 24 134.527 122.961 88.637 1.00 88.64 C +ATOM 3818 CE1 PHE A 24 134.022 125.429 89.731 1.00 88.64 C +ATOM 3819 CE2 PHE A 24 133.515 123.745 88.132 1.00 88.64 C +ATOM 3820 CZ PHE A 24 133.262 124.981 88.681 1.00 88.64 C +ATOM 3821 N ASN A 25 139.506 121.836 90.705 1.00 83.44 N +ATOM 3822 CA ASN A 25 140.463 120.788 91.049 1.00 83.44 C +ATOM 3823 C ASN A 25 141.830 121.356 91.430 1.00 83.44 C +ATOM 3824 O ASN A 25 142.867 120.755 91.142 1.00 83.44 O +ATOM 3825 CB ASN A 25 140.610 119.794 89.898 1.00 83.44 C +ATOM 3826 CG ASN A 25 139.401 118.909 89.730 1.00 83.44 C +ATOM 3827 OD1 ASN A 25 138.337 119.157 90.295 1.00 83.44 O +ATOM 3828 ND2 ASN A 25 139.566 117.860 88.940 1.00 83.44 N +ATOM 3829 N ALA A 26 141.869 122.514 92.082 1.00 88.67 N +ATOM 3830 CA ALA A 26 143.153 123.026 92.534 1.00 88.67 C +ATOM 3831 C ALA A 26 143.664 122.176 93.687 1.00 88.67 C +ATOM 3832 O ALA A 26 142.886 121.690 94.511 1.00 88.67 O +ATOM 3833 CB ALA A 26 143.036 124.483 92.971 1.00 88.67 C +ATOM 3834 N THR A 27 144.983 121.993 93.742 1.00 94.00 N +ATOM 3835 CA THR A 27 145.568 121.238 94.846 1.00 94.00 C +ATOM 3836 C THR A 27 145.376 121.947 96.182 1.00 94.00 C +ATOM 3837 O THR A 27 145.346 121.289 97.228 1.00 94.00 O +ATOM 3838 CB THR A 27 147.057 120.970 94.592 1.00 94.00 C +ATOM 3839 OG1 THR A 27 147.612 120.269 95.711 1.00 94.00 O +ATOM 3840 CG2 THR A 27 147.852 122.263 94.369 1.00 94.00 C +ATOM 3841 N ARG A 28 145.258 123.273 96.174 1.00 93.88 N +ATOM 3842 CA ARG A 28 145.094 124.036 97.402 1.00 93.88 C +ATOM 3843 C ARG A 28 144.349 125.330 97.105 1.00 93.88 C +ATOM 3844 O ARG A 28 144.651 126.014 96.124 1.00 93.88 O +ATOM 3845 CB ARG A 28 146.451 124.328 98.060 1.00 93.88 C +ATOM 3846 CG ARG A 28 147.408 125.203 97.233 1.00 93.88 C +ATOM 3847 CD ARG A 28 148.728 125.505 97.953 1.00 93.88 C +ATOM 3848 NE ARG A 28 149.183 124.426 98.825 1.00 93.88 N +ATOM 3849 CZ ARG A 28 149.825 123.336 98.421 1.00 93.88 C +ATOM 3850 NH1 ARG A 28 150.115 123.128 97.146 1.00 93.88 N1+ +ATOM 3851 NH2 ARG A 28 150.185 122.427 99.322 1.00 93.88 N +ATOM 3852 N PHE A 29 143.377 125.652 97.955 1.00 99.61 N +ATOM 3853 CA PHE A 29 142.702 126.941 97.951 1.00 99.61 C +ATOM 3854 C PHE A 29 143.214 127.820 99.080 1.00 99.61 C +ATOM 3855 O PHE A 29 143.741 127.349 100.091 1.00 99.61 O +ATOM 3856 CB PHE A 29 141.183 126.809 98.119 1.00 99.61 C +ATOM 3857 CG PHE A 29 140.451 126.190 96.955 1.00 99.61 C +ATOM 3858 CD1 PHE A 29 141.025 126.036 95.706 1.00 99.61 C +ATOM 3859 CD2 PHE A 29 139.132 125.813 97.118 1.00 99.61 C +ATOM 3860 CE1 PHE A 29 140.299 125.491 94.667 1.00 99.61 C +ATOM 3861 CE2 PHE A 29 138.416 125.268 96.086 1.00 99.61 C +ATOM 3862 CZ PHE A 29 138.996 125.102 94.864 1.00 99.61 C +ATOM 3863 N ALA A 30 143.036 129.121 98.887 1.00110.55 N +ATOM 3864 CA ALA A 30 143.290 130.103 99.921 1.00110.55 C +ATOM 3865 C ALA A 30 142.080 130.201 100.843 1.00110.55 C +ATOM 3866 O ALA A 30 140.980 129.748 100.520 1.00110.55 O +ATOM 3867 CB ALA A 30 143.606 131.467 99.307 1.00110.55 C +ATOM 3868 N SER A 31 142.299 130.790 102.009 1.00119.09 N +ATOM 3869 CA SER A 31 141.300 130.803 103.064 1.00119.09 C +ATOM 3870 C SER A 31 140.253 131.870 102.756 1.00119.09 C +ATOM 3871 O SER A 31 140.243 132.476 101.682 1.00119.09 O +ATOM 3872 CB SER A 31 141.978 131.039 104.406 1.00119.09 C +ATOM 3873 OG SER A 31 141.040 131.087 105.464 1.00119.09 O +ATOM 3874 N VAL A 32 139.347 132.108 103.703 1.00118.54 N +ATOM 3875 CA VAL A 32 138.198 132.967 103.430 1.00118.54 C +ATOM 3876 C VAL A 32 138.641 134.418 103.302 1.00118.54 C +ATOM 3877 O VAL A 32 138.399 135.066 102.279 1.00118.54 O +ATOM 3878 CB VAL A 32 137.131 132.815 104.529 1.00118.54 C +ATOM 3879 CG1 VAL A 32 135.867 133.572 104.138 1.00118.54 C +ATOM 3880 CG2 VAL A 32 136.817 131.362 104.784 1.00118.54 C +ATOM 3881 N TYR A 33 139.258 134.957 104.359 1.00126.04 N +ATOM 3882 CA TYR A 33 139.730 136.341 104.341 1.00126.04 C +ATOM 3883 C TYR A 33 140.626 136.634 103.142 1.00126.04 C +ATOM 3884 O TYR A 33 140.622 137.757 102.626 1.00126.04 O +ATOM 3885 CB TYR A 33 140.471 136.657 105.645 1.00126.04 C +ATOM 3886 CG TYR A 33 141.864 136.070 105.727 1.00126.04 C +ATOM 3887 CD1 TYR A 33 142.060 134.696 105.760 1.00126.04 C +ATOM 3888 CD2 TYR A 33 142.983 136.889 105.747 1.00126.04 C +ATOM 3889 CE1 TYR A 33 143.326 134.156 105.826 1.00126.04 C +ATOM 3890 CE2 TYR A 33 144.255 136.356 105.810 1.00126.04 C +ATOM 3891 CZ TYR A 33 144.421 134.989 105.849 1.00126.04 C +ATOM 3892 OH TYR A 33 145.685 134.449 105.913 1.00126.04 O +ATOM 3893 N ALA A 34 141.401 135.646 102.694 1.00121.17 N +ATOM 3894 CA ALA A 34 142.243 135.748 101.510 1.00121.17 C +ATOM 3895 C ALA A 34 141.620 135.068 100.297 1.00121.17 C +ATOM 3896 O ALA A 34 142.357 134.538 99.459 1.00121.17 O +ATOM 3897 CB ALA A 34 143.622 135.156 101.796 1.00121.17 C +ATOM 3898 N TRP A 35 140.281 135.016 100.234 1.00111.39 N +ATOM 3899 CA TRP A 35 139.564 134.267 99.200 1.00111.39 C +ATOM 3900 C TRP A 35 140.114 134.540 97.807 1.00111.39 C +ATOM 3901 O TRP A 35 140.293 135.693 97.407 1.00111.39 O +ATOM 3902 CB TRP A 35 138.068 134.606 99.233 1.00111.39 C +ATOM 3903 CG TRP A 35 137.724 136.074 99.099 1.00111.39 C +ATOM 3904 CD1 TRP A 35 137.852 137.041 100.054 1.00111.39 C +ATOM 3905 CD2 TRP A 35 137.180 136.728 97.945 1.00111.39 C +ATOM 3906 NE1 TRP A 35 137.430 138.250 99.567 1.00111.39 N +ATOM 3907 CE2 TRP A 35 137.012 138.086 98.275 1.00111.39 C +ATOM 3908 CE3 TRP A 35 136.820 136.298 96.665 1.00111.39 C +ATOM 3909 CZ2 TRP A 35 136.504 139.016 97.373 1.00111.39 C +ATOM 3910 CZ3 TRP A 35 136.314 137.226 95.773 1.00111.39 C +ATOM 3911 CH2 TRP A 35 136.162 138.567 96.130 1.00111.39 C +ATOM 3912 N ASN A 36 140.377 133.462 97.077 1.00101.13 N +ATOM 3913 CA ASN A 36 140.908 133.566 95.730 1.00101.13 C +ATOM 3914 C ASN A 36 139.795 133.897 94.748 1.00101.13 C +ATOM 3915 O ASN A 36 138.632 133.552 94.963 1.00101.13 O +ATOM 3916 CB ASN A 36 141.606 132.276 95.317 1.00101.13 C +ATOM 3917 CG ASN A 36 142.616 132.491 94.215 1.00101.13 C +ATOM 3918 OD1 ASN A 36 142.309 133.092 93.187 1.00101.13 O +ATOM 3919 ND2 ASN A 36 143.832 132.002 94.423 1.00101.13 N +ATOM 3920 N ARG A 37 140.172 134.543 93.649 1.00104.32 N +ATOM 3921 CA ARG A 37 139.230 134.962 92.625 1.00104.32 C +ATOM 3922 C ARG A 37 139.998 135.065 91.319 1.00104.32 C +ATOM 3923 O ARG A 37 141.194 135.367 91.320 1.00104.32 O +ATOM 3924 CB ARG A 37 138.586 136.308 92.994 1.00104.32 C +ATOM 3925 CG ARG A 37 137.670 136.946 91.946 1.00104.32 C +ATOM 3926 CD ARG A 37 137.319 138.367 92.352 1.00104.32 C +ATOM 3927 NE ARG A 37 136.450 139.031 91.387 1.00104.32 N +ATOM 3928 CZ ARG A 37 135.148 138.811 91.259 1.00104.32 C +ATOM 3929 NH1 ARG A 37 134.515 137.917 92.003 1.00104.32 N1+ +ATOM 3930 NH2 ARG A 37 134.458 139.511 90.365 1.00104.32 N +ATOM 3931 N LYS A 38 139.315 134.804 90.204 1.00103.88 N +ATOM 3932 CA LYS A 38 140.014 134.889 88.928 1.00103.88 C +ATOM 3933 C LYS A 38 139.050 135.126 87.773 1.00103.88 C +ATOM 3934 O LYS A 38 137.909 134.639 87.775 1.00103.88 O +ATOM 3935 CB LYS A 38 140.877 133.649 88.651 1.00103.88 C +ATOM 3936 CG LYS A 38 140.168 132.320 88.459 1.00103.88 C +ATOM 3937 CD LYS A 38 141.049 131.394 87.611 1.00103.88 C +ATOM 3938 CE LYS A 38 142.441 131.163 88.207 1.00103.88 C +ATOM 3939 NZ LYS A 38 142.430 130.882 89.671 1.00103.88 N1+ +ATOM 3940 N ARG A 39 139.531 135.930 86.823 1.00109.41 N +ATOM 3941 CA ARG A 39 138.840 136.225 85.575 1.00109.41 C +ATOM 3942 C ARG A 39 138.931 135.039 84.627 1.00109.41 C +ATOM 3943 O ARG A 39 140.007 134.464 84.440 1.00109.41 O +ATOM 3944 CB ARG A 39 139.473 137.465 84.929 1.00109.41 C +ATOM 3945 CG ARG A 39 138.798 137.987 83.656 1.00109.41 C +ATOM 3946 CD ARG A 39 139.363 139.358 83.221 1.00109.41 C +ATOM 3947 NE ARG A 39 140.336 139.301 82.135 1.00109.41 N +ATOM 3948 CZ ARG A 39 140.956 140.356 81.613 1.00109.41 C +ATOM 3949 NH1 ARG A 39 140.742 141.585 82.061 1.00109.41 N1+ +ATOM 3950 NH2 ARG A 39 141.812 140.177 80.609 1.00109.41 N +ATOM 3951 N ILE A 40 137.799 134.670 84.036 1.00105.20 N +ATOM 3952 CA ILE A 40 137.728 133.639 83.006 1.00105.20 C +ATOM 3953 C ILE A 40 137.052 134.262 81.794 1.00105.20 C +ATOM 3954 O ILE A 40 135.964 134.836 81.914 1.00105.20 O +ATOM 3955 CB ILE A 40 136.959 132.392 83.483 1.00105.20 C +ATOM 3956 CG1 ILE A 40 137.494 131.925 84.837 1.00105.20 C +ATOM 3957 CG2 ILE A 40 137.060 131.268 82.458 1.00105.20 C +ATOM 3958 CD1 ILE A 40 136.663 132.387 86.012 1.00105.20 C +ATOM 3959 N SER A 41 137.697 134.158 80.635 1.00110.08 N +ATOM 3960 CA SER A 41 137.176 134.798 79.438 1.00110.08 C +ATOM 3961 C SER A 41 137.801 134.159 78.209 1.00110.08 C +ATOM 3962 O SER A 41 138.801 133.440 78.292 1.00110.08 O +ATOM 3963 CB SER A 41 137.448 136.304 79.448 1.00110.08 C +ATOM 3964 OG SER A 41 138.827 136.565 79.635 1.00110.08 O +ATOM 3965 N ASN A 42 137.178 134.437 77.065 1.00120.07 N +ATOM 3966 CA ASN A 42 137.585 133.917 75.760 1.00120.07 C +ATOM 3967 C ASN A 42 137.521 132.395 75.743 1.00120.07 C +ATOM 3968 O ASN A 42 138.424 131.725 75.237 1.00120.07 O +ATOM 3969 CB ASN A 42 138.985 134.410 75.383 1.00120.07 C +ATOM 3970 CG ASN A 42 139.012 135.890 75.081 1.00120.07 C +ATOM 3971 OD1 ASN A 42 138.116 136.416 74.423 1.00120.07 O +ATOM 3972 ND2 ASN A 42 140.042 136.575 75.565 1.00120.07 N +ATOM 3973 N CYS A 43 136.455 131.839 76.317 1.00106.16 N +ATOM 3974 CA CYS A 43 136.263 130.400 76.265 1.00106.16 C +ATOM 3975 C CYS A 43 134.793 130.030 76.169 1.00106.16 C +ATOM 3976 O CYS A 43 133.902 130.837 76.448 1.00106.16 O +ATOM 3977 CB CYS A 43 136.874 129.697 77.461 1.00106.16 C +ATOM 3978 SG CYS A 43 135.906 129.667 79.033 1.00106.16 S +ATOM 3979 N VAL A 44 134.562 128.782 75.769 1.00106.45 N +ATOM 3980 CA VAL A 44 133.256 128.153 75.922 1.00106.45 C +ATOM 3981 C VAL A 44 133.149 127.607 77.341 1.00106.45 C +ATOM 3982 O VAL A 44 134.006 126.840 77.792 1.00106.45 O +ATOM 3983 CB VAL A 44 133.032 127.055 74.870 1.00106.45 C +ATOM 3984 CG1 VAL A 44 133.226 127.617 73.468 1.00106.45 C +ATOM 3985 CG2 VAL A 44 133.950 125.857 75.088 1.00106.45 C +ATOM 3986 N ALA A 45 132.125 128.050 78.068 1.00105.12 N +ATOM 3987 CA ALA A 45 131.892 127.632 79.450 1.00105.12 C +ATOM 3988 C ALA A 45 130.944 126.442 79.437 1.00105.12 C +ATOM 3989 O ALA A 45 129.723 126.607 79.396 1.00105.12 O +ATOM 3990 CB ALA A 45 131.333 128.782 80.278 1.00105.12 C +ATOM 3991 N ASP A 46 131.505 125.238 79.471 1.00101.66 N +ATOM 3992 CA ASP A 46 130.719 124.010 79.435 1.00101.66 C +ATOM 3993 C ASP A 46 130.381 123.652 80.876 1.00101.66 C +ATOM 3994 O ASP A 46 131.258 123.247 81.645 1.00101.66 O +ATOM 3995 CB ASP A 46 131.498 122.904 78.724 1.00101.66 C +ATOM 3996 CG ASP A 46 130.782 121.542 78.704 1.00101.66 C +ATOM 3997 OD1 ASP A 46 129.891 121.245 79.527 1.00101.66 O +ATOM 3998 OD2 ASP A 46 131.137 120.734 77.823 1.00101.66 O1- +ATOM 3999 N TYR A 47 129.107 123.807 81.237 1.00 90.65 N +ATOM 4000 CA TYR A 47 128.625 123.439 82.558 1.00 90.65 C +ATOM 4001 C TYR A 47 128.030 122.041 82.603 1.00 90.65 C +ATOM 4002 O TYR A 47 127.880 121.487 83.698 1.00 90.65 O +ATOM 4003 CB TYR A 47 127.560 124.437 83.015 1.00 90.65 C +ATOM 4004 CG TYR A 47 127.957 125.870 82.787 1.00 90.65 C +ATOM 4005 CD1 TYR A 47 128.892 126.493 83.595 1.00 90.65 C +ATOM 4006 CD2 TYR A 47 127.422 126.588 81.731 1.00 90.65 C +ATOM 4007 CE1 TYR A 47 129.257 127.802 83.374 1.00 90.65 C +ATOM 4008 CE2 TYR A 47 127.783 127.889 81.498 1.00 90.65 C +ATOM 4009 CZ TYR A 47 128.698 128.494 82.320 1.00 90.65 C +ATOM 4010 OH TYR A 47 129.056 129.800 82.079 1.00 90.65 O +ATOM 4011 N SER A 48 127.686 121.457 81.450 1.00 93.42 N +ATOM 4012 CA SER A 48 127.218 120.075 81.416 1.00 93.42 C +ATOM 4013 C SER A 48 128.218 119.083 82.007 1.00 93.42 C +ATOM 4014 O SER A 48 127.828 117.955 82.325 1.00 93.42 O +ATOM 4015 CB SER A 48 126.887 119.681 79.978 1.00 93.42 C +ATOM 4016 OG SER A 48 126.457 118.335 79.905 1.00 93.42 O +ATOM 4017 N VAL A 49 129.491 119.465 82.151 1.00 87.18 N +ATOM 4018 CA VAL A 49 130.431 118.676 82.943 1.00 87.18 C +ATOM 4019 C VAL A 49 130.303 119.012 84.420 1.00 87.18 C +ATOM 4020 O VAL A 49 130.619 118.184 85.281 1.00 87.18 O +ATOM 4021 CB VAL A 49 131.872 118.901 82.458 1.00 87.18 C +ATOM 4022 CG1 VAL A 49 132.366 120.291 82.850 1.00 87.18 C +ATOM 4023 CG2 VAL A 49 132.789 117.822 83.018 1.00 87.18 C +ATOM 4024 N LEU A 50 129.863 120.228 84.733 1.00 80.30 N +ATOM 4025 CA LEU A 50 129.773 120.665 86.118 1.00 80.30 C +ATOM 4026 C LEU A 50 128.615 119.979 86.830 1.00 80.30 C +ATOM 4027 O LEU A 50 128.770 119.494 87.957 1.00 80.30 O +ATOM 4028 CB LEU A 50 129.610 122.183 86.156 1.00 80.30 C +ATOM 4029 CG LEU A 50 129.874 122.911 87.473 1.00 80.30 C +ATOM 4030 CD1 LEU A 50 130.316 124.335 87.188 1.00 80.30 C +ATOM 4031 CD2 LEU A 50 128.657 122.910 88.370 1.00 80.30 C +ATOM 4032 N TYR A 51 127.432 119.985 86.206 1.00 75.22 N +ATOM 4033 CA TYR A 51 126.236 119.431 86.834 1.00 75.22 C +ATOM 4034 C TYR A 51 126.469 117.977 87.206 1.00 75.22 C +ATOM 4035 O TYR A 51 126.440 117.584 88.376 1.00 75.22 O +ATOM 4036 CB TYR A 51 125.078 119.433 85.832 1.00 75.22 C +ATOM 4037 CG TYR A 51 124.646 120.721 85.236 1.00 75.22 C +ATOM 4038 CD1 TYR A 51 125.020 121.945 85.752 1.00 75.22 C +ATOM 4039 CD2 TYR A 51 123.944 120.689 84.046 1.00 75.22 C +ATOM 4040 CE1 TYR A 51 124.638 123.101 85.123 1.00 75.22 C +ATOM 4041 CE2 TYR A 51 123.567 121.812 83.421 1.00 75.22 C +ATOM 4042 CZ TYR A 51 123.911 123.018 83.951 1.00 75.22 C +ATOM 4043 OH TYR A 51 123.514 124.131 83.276 1.00 75.22 O +ATOM 4044 N ASN A 52 126.724 117.178 86.179 1.00 79.02 N +ATOM 4045 CA ASN A 52 126.675 115.733 86.186 1.00 79.02 C +ATOM 4046 C ASN A 52 127.860 115.095 86.872 1.00 79.02 C +ATOM 4047 O ASN A 52 127.847 113.882 87.091 1.00 79.02 O +ATOM 4048 CB ASN A 52 126.475 115.284 84.750 1.00 79.02 C +ATOM 4049 CG ASN A 52 125.191 115.853 84.202 1.00 79.02 C +ATOM 4050 OD1 ASN A 52 124.505 116.562 84.929 1.00 79.02 O +ATOM 4051 ND2 ASN A 52 124.841 115.544 82.965 1.00 79.02 N +ATOM 4052 N SER A 53 128.873 115.867 87.222 1.00 81.94 N +ATOM 4053 CA SER A 53 129.883 115.339 88.115 1.00 81.94 C +ATOM 4054 C SER A 53 129.215 115.166 89.464 1.00 81.94 C +ATOM 4055 O SER A 53 128.739 116.137 90.061 1.00 81.94 O +ATOM 4056 CB SER A 53 131.082 116.276 88.212 1.00 81.94 C +ATOM 4057 OG SER A 53 131.921 115.906 89.294 1.00 81.94 O +ATOM 4058 N ALA A 54 129.180 113.929 89.946 1.00 79.21 N +ATOM 4059 CA ALA A 54 128.361 113.563 91.088 1.00 79.21 C +ATOM 4060 C ALA A 54 129.156 113.633 92.369 1.00 79.21 C +ATOM 4061 O ALA A 54 128.822 112.967 93.358 1.00 79.21 O +ATOM 4062 CB ALA A 54 127.788 112.159 90.885 1.00 79.21 C +ATOM 4063 N SER A 55 130.175 114.488 92.369 1.00 78.46 N +ATOM 4064 CA SER A 55 131.112 114.676 93.456 1.00 78.46 C +ATOM 4065 C SER A 55 130.966 116.048 94.087 1.00 78.46 C +ATOM 4066 O SER A 55 131.846 116.455 94.851 1.00 78.46 O +ATOM 4067 CB SER A 55 132.544 114.475 92.963 1.00 78.46 C +ATOM 4068 OG SER A 55 133.477 114.859 93.955 1.00 78.46 O +ATOM 4069 N PHE A 56 129.882 116.773 93.791 1.00 80.30 N +ATOM 4070 CA PHE A 56 129.643 118.026 94.480 1.00 80.30 C +ATOM 4071 C PHE A 56 128.618 117.777 95.564 1.00 80.30 C +ATOM 4072 O PHE A 56 127.993 116.718 95.651 1.00 80.30 O +ATOM 4073 CB PHE A 56 129.083 119.092 93.527 1.00 80.30 C +ATOM 4074 CG PHE A 56 130.091 119.688 92.589 1.00 80.30 C +ATOM 4075 CD1 PHE A 56 131.226 120.319 93.062 1.00 80.30 C +ATOM 4076 CD2 PHE A 56 129.871 119.654 91.223 1.00 80.30 C +ATOM 4077 CE1 PHE A 56 132.138 120.876 92.192 1.00 80.30 C +ATOM 4078 CE2 PHE A 56 130.778 120.212 90.351 1.00 80.30 C +ATOM 4079 CZ PHE A 56 131.913 120.824 90.837 1.00 80.30 C +ATOM 4080 N SER A 57 128.470 118.780 96.407 1.00 83.17 N +ATOM 4081 CA SER A 57 127.734 118.598 97.639 1.00 83.17 C +ATOM 4082 C SER A 57 127.131 119.965 97.973 1.00 83.17 C +ATOM 4083 O SER A 57 127.889 120.916 98.185 1.00 83.17 O +ATOM 4084 CB SER A 57 128.770 117.956 98.613 1.00 83.17 C +ATOM 4085 OG SER A 57 128.568 117.836 100.007 1.00 83.17 O +ATOM 4086 N THR A 58 125.793 120.093 98.003 1.00 83.64 N +ATOM 4087 CA THR A 58 125.096 121.397 98.121 1.00 83.64 C +ATOM 4088 C THR A 58 125.365 122.376 96.955 1.00 83.64 C +ATOM 4089 O THR A 58 125.817 123.505 97.143 1.00 83.64 O +ATOM 4090 CB THR A 58 125.418 122.048 99.473 1.00 83.64 C +ATOM 4091 OG1 THR A 58 125.256 121.077 100.513 1.00 83.64 O +ATOM 4092 CG2 THR A 58 124.495 123.243 99.755 1.00 83.64 C +ATOM 4093 N PHE A 59 125.086 121.907 95.733 1.00 78.86 N +ATOM 4094 CA PHE A 59 125.185 122.669 94.471 1.00 78.86 C +ATOM 4095 C PHE A 59 123.870 123.374 94.100 1.00 78.86 C +ATOM 4096 O PHE A 59 122.935 122.729 93.635 1.00 78.86 O +ATOM 4097 CB PHE A 59 125.609 121.717 93.353 1.00 78.86 C +ATOM 4098 CG PHE A 59 125.564 122.308 91.950 1.00 78.86 C +ATOM 4099 CD1 PHE A 59 125.244 121.493 90.878 1.00 78.86 C +ATOM 4100 CD2 PHE A 59 125.881 123.626 91.690 1.00 78.86 C +ATOM 4101 CE1 PHE A 59 125.200 121.993 89.593 1.00 78.86 C +ATOM 4102 CE2 PHE A 59 125.838 124.131 90.409 1.00 78.86 C +ATOM 4103 CZ PHE A 59 125.497 123.311 89.359 1.00 78.86 C +ATOM 4104 N LYS A 60 123.769 124.690 94.342 1.00 77.51 N +ATOM 4105 CA LYS A 60 122.700 125.534 93.776 1.00 77.51 C +ATOM 4106 C LYS A 60 123.151 126.838 93.116 1.00 77.51 C +ATOM 4107 O LYS A 60 124.232 127.364 93.377 1.00 77.51 O +ATOM 4108 CB LYS A 60 121.570 125.873 94.749 1.00 77.51 C +ATOM 4109 CG LYS A 60 121.825 126.861 95.889 1.00 77.51 C +ATOM 4110 CD LYS A 60 120.566 126.676 96.699 1.00 77.51 C +ATOM 4111 CE LYS A 60 120.656 125.581 97.745 1.00 77.51 C +ATOM 4112 NZ LYS A 60 119.589 125.615 98.758 1.00 77.51 N1+ +ATOM 4113 N CYS A 61 122.274 127.341 92.232 1.00 84.24 N +ATOM 4114 CA CYS A 61 122.510 128.544 91.432 1.00 84.24 C +ATOM 4115 C CYS A 61 121.215 129.332 91.310 1.00 84.24 C +ATOM 4116 O CYS A 61 120.205 128.805 90.835 1.00 84.24 O +ATOM 4117 CB CYS A 61 122.975 128.194 90.017 1.00 84.24 C +ATOM 4118 SG CYS A 61 124.513 127.338 89.849 1.00 84.24 S +ATOM 4119 N TYR A 62 121.265 130.604 91.704 1.00 83.33 N +ATOM 4120 CA TYR A 62 120.115 131.497 91.711 1.00 83.33 C +ATOM 4121 C TYR A 62 119.883 132.173 90.360 1.00 83.33 C +ATOM 4122 O TYR A 62 120.716 132.142 89.454 1.00 83.33 O +ATOM 4123 CB TYR A 62 120.283 132.574 92.785 1.00 83.33 C +ATOM 4124 CG TYR A 62 120.802 132.065 94.107 1.00 83.33 C +ATOM 4125 CD1 TYR A 62 119.938 131.552 95.060 1.00 83.33 C +ATOM 4126 CD2 TYR A 62 122.155 132.097 94.403 1.00 83.33 C +ATOM 4127 CE1 TYR A 62 120.404 131.089 96.266 1.00 83.33 C +ATOM 4128 CE2 TYR A 62 122.631 131.634 95.605 1.00 83.33 C +ATOM 4129 CZ TYR A 62 121.752 131.129 96.533 1.00 83.33 C +ATOM 4130 OH TYR A 62 122.221 130.666 97.737 1.00 83.33 O +ATOM 4131 N GLY A 63 118.717 132.809 90.253 1.00 90.27 N +ATOM 4132 CA GLY A 63 118.412 133.807 89.242 1.00 90.27 C +ATOM 4133 C GLY A 63 118.150 133.326 87.830 1.00 90.27 C +ATOM 4134 O GLY A 63 117.579 134.065 87.022 1.00 90.27 O +ATOM 4135 N VAL A 64 118.546 132.100 87.509 1.00 90.33 N +ATOM 4136 CA VAL A 64 118.368 131.564 86.162 1.00 90.33 C +ATOM 4137 C VAL A 64 118.531 130.058 86.242 1.00 90.33 C +ATOM 4138 O VAL A 64 119.344 129.556 87.025 1.00 90.33 O +ATOM 4139 CB VAL A 64 119.364 132.205 85.167 1.00 90.33 C +ATOM 4140 CG1 VAL A 64 120.794 131.851 85.525 1.00 90.33 C +ATOM 4141 CG2 VAL A 64 119.046 131.766 83.742 1.00 90.33 C +ATOM 4142 N SER A 65 117.775 129.335 85.431 1.00 82.09 N +ATOM 4143 CA SER A 65 117.966 127.897 85.429 1.00 82.09 C +ATOM 4144 C SER A 65 119.298 127.674 84.715 1.00 82.09 C +ATOM 4145 O SER A 65 119.462 128.153 83.586 1.00 82.09 O +ATOM 4146 CB SER A 65 116.791 127.229 84.698 1.00 82.09 C +ATOM 4147 OG SER A 65 116.628 125.850 85.000 1.00 82.09 O +ATOM 4148 N PRO A 66 120.280 126.996 85.330 1.00 77.84 N +ATOM 4149 CA PRO A 66 121.574 126.809 84.649 1.00 77.84 C +ATOM 4150 C PRO A 66 121.478 126.108 83.307 1.00 77.84 C +ATOM 4151 O PRO A 66 122.227 126.432 82.383 1.00 77.84 O +ATOM 4152 CB PRO A 66 122.390 126.028 85.684 1.00 77.84 C +ATOM 4153 CG PRO A 66 121.406 125.289 86.406 1.00 77.84 C +ATOM 4154 CD PRO A 66 120.273 126.255 86.598 1.00 77.84 C +ATOM 4155 N THR A 67 120.617 125.105 83.188 1.00 81.78 N +ATOM 4156 CA THR A 67 120.456 124.424 81.908 1.00 81.78 C +ATOM 4157 C THR A 67 120.018 125.404 80.817 1.00 81.78 C +ATOM 4158 O THR A 67 120.515 125.340 79.688 1.00 81.78 O +ATOM 4159 CB THR A 67 119.492 123.244 82.092 1.00 81.78 C +ATOM 4160 OG1 THR A 67 119.470 122.373 80.953 1.00 81.78 O +ATOM 4161 CG2 THR A 67 118.144 123.702 82.357 1.00 81.78 C +ATOM 4162 N LYS A 68 119.104 126.331 81.136 1.00 87.01 N +ATOM 4163 CA LYS A 68 118.797 127.436 80.229 1.00 87.01 C +ATOM 4164 C LYS A 68 119.922 128.460 80.141 1.00 87.01 C +ATOM 4165 O LYS A 68 119.973 129.219 79.167 1.00 87.01 O +ATOM 4166 CB LYS A 68 117.505 128.141 80.642 1.00 87.01 C +ATOM 4167 CG LYS A 68 116.245 127.509 80.066 1.00 87.01 C +ATOM 4168 CD LYS A 68 114.972 128.142 80.636 1.00 87.01 C +ATOM 4169 CE LYS A 68 114.588 129.473 79.968 1.00 87.01 C +ATOM 4170 NZ LYS A 68 114.699 129.524 78.480 1.00 87.01 N1+ +ATOM 4171 N LEU A 69 120.811 128.512 81.136 1.00 91.88 N +ATOM 4172 CA LEU A 69 121.964 129.405 81.059 1.00 91.88 C +ATOM 4173 C LEU A 69 122.856 129.024 79.892 1.00 91.88 C +ATOM 4174 O LEU A 69 123.377 129.902 79.199 1.00 91.88 O +ATOM 4175 CB LEU A 69 122.760 129.390 82.367 1.00 91.88 C +ATOM 4176 CG LEU A 69 123.846 130.446 82.571 1.00 91.88 C +ATOM 4177 CD1 LEU A 69 123.969 130.766 84.038 1.00 91.88 C +ATOM 4178 CD2 LEU A 69 125.197 129.980 82.048 1.00 91.88 C +ATOM 4179 N ASN A 70 123.051 127.719 79.671 1.00 94.91 N +ATOM 4180 CA ASN A 70 124.041 127.234 78.713 1.00 94.91 C +ATOM 4181 C ASN A 70 123.880 127.862 77.335 1.00 94.91 C +ATOM 4182 O ASN A 70 124.864 128.000 76.602 1.00 94.91 O +ATOM 4183 CB ASN A 70 123.941 125.715 78.592 1.00 94.91 C +ATOM 4184 CG ASN A 70 124.757 124.994 79.639 1.00 94.91 C +ATOM 4185 OD1 ASN A 70 124.702 125.332 80.819 1.00 94.91 O +ATOM 4186 ND2 ASN A 70 125.525 123.998 79.213 1.00 94.91 N +ATOM 4187 N ASP A 71 122.657 128.247 76.962 1.00108.39 N +ATOM 4188 CA ASP A 71 122.485 129.054 75.759 1.00108.39 C +ATOM 4189 C ASP A 71 122.822 130.519 76.021 1.00108.39 C +ATOM 4190 O ASP A 71 123.605 131.124 75.280 1.00108.39 O +ATOM 4191 CB ASP A 71 121.046 128.934 75.252 1.00108.39 C +ATOM 4192 CG ASP A 71 120.644 127.506 74.973 1.00108.39 C +ATOM 4193 OD1 ASP A 71 121.537 126.678 74.707 1.00108.39 O +ATOM 4194 OD2 ASP A 71 119.432 127.212 75.019 1.00108.39 O1- +ATOM 4195 N LEU A 72 122.235 131.108 77.067 1.00108.57 N +ATOM 4196 CA LEU A 72 122.522 132.492 77.431 1.00108.57 C +ATOM 4197 C LEU A 72 123.999 132.685 77.736 1.00108.57 C +ATOM 4198 O LEU A 72 124.488 132.174 78.746 1.00108.57 O +ATOM 4199 CB LEU A 72 121.679 132.901 78.642 1.00108.57 C +ATOM 4200 CG LEU A 72 121.546 134.388 78.987 1.00108.57 C +ATOM 4201 CD1 LEU A 72 120.954 135.201 77.838 1.00108.57 C +ATOM 4202 CD2 LEU A 72 120.708 134.543 80.249 1.00108.57 C +ATOM 4203 N CYS A 73 124.703 133.470 76.926 1.00117.07 N +ATOM 4204 CA CYS A 73 126.135 133.666 77.110 1.00117.07 C +ATOM 4205 C CYS A 73 126.456 135.010 77.745 1.00117.07 C +ATOM 4206 O CYS A 73 126.057 136.062 77.238 1.00117.07 O +ATOM 4207 CB CYS A 73 126.887 133.522 75.796 1.00117.07 C +ATOM 4208 SG CYS A 73 126.485 134.532 74.386 1.00117.07 S +ATOM 4209 N PHE A 74 127.185 134.955 78.854 1.00112.87 N +ATOM 4210 CA PHE A 74 127.723 136.101 79.563 1.00112.87 C +ATOM 4211 C PHE A 74 129.250 136.133 79.443 1.00112.87 C +ATOM 4212 O PHE A 74 129.879 135.244 78.861 1.00112.87 O +ATOM 4213 CB PHE A 74 127.234 136.044 81.017 1.00112.87 C +ATOM 4214 CG PHE A 74 125.732 136.294 81.187 1.00112.87 C +ATOM 4215 CD1 PHE A 74 124.974 136.938 80.214 1.00112.87 C +ATOM 4216 CD2 PHE A 74 125.068 135.812 82.303 1.00112.87 C +ATOM 4217 CE1 PHE A 74 123.620 137.149 80.388 1.00112.87 C +ATOM 4218 CE2 PHE A 74 123.714 136.013 82.473 1.00112.87 C +ATOM 4219 CZ PHE A 74 122.990 136.678 81.514 1.00112.87 C +ATOM 4220 N THR A 75 129.835 137.190 80.008 1.00118.30 N +ATOM 4221 CA THR A 75 131.259 137.504 79.925 1.00118.30 C +ATOM 4222 C THR A 75 131.726 137.947 81.304 1.00118.30 C +ATOM 4223 O THR A 75 130.909 138.286 82.163 1.00118.30 O +ATOM 4224 CB THR A 75 131.571 138.589 78.880 1.00118.30 C +ATOM 4225 OG1 THR A 75 132.978 138.602 78.612 1.00118.30 O +ATOM 4226 CG2 THR A 75 131.158 139.966 79.371 1.00118.30 C +ATOM 4227 N ASN A 76 133.044 137.958 81.513 1.00116.02 N +ATOM 4228 CA ASN A 76 133.622 138.389 82.790 1.00116.02 C +ATOM 4229 C ASN A 76 133.047 137.575 83.951 1.00116.02 C +ATOM 4230 O ASN A 76 132.381 138.069 84.863 1.00116.02 O +ATOM 4231 CB ASN A 76 133.440 139.898 82.992 1.00116.02 C +ATOM 4232 CG ASN A 76 134.557 140.707 82.349 1.00116.02 C +ATOM 4233 OD1 ASN A 76 135.734 140.359 82.454 1.00116.02 O +ATOM 4234 ND2 ASN A 76 134.190 141.789 81.673 1.00116.02 N +ATOM 4235 N VAL A 77 133.331 136.281 83.853 1.00106.59 N +ATOM 4236 CA VAL A 77 132.719 135.136 84.522 1.00106.59 C +ATOM 4237 C VAL A 77 133.051 135.081 86.018 1.00106.59 C +ATOM 4238 O VAL A 77 132.540 134.204 86.724 1.00106.59 O +ATOM 4239 CB VAL A 77 133.115 133.829 83.800 1.00106.59 C +ATOM 4240 CG1 VAL A 77 132.374 132.618 84.373 1.00106.59 C +ATOM 4241 CG2 VAL A 77 132.840 133.941 82.296 1.00106.59 C +ATOM 4242 N TYR A 78 133.852 136.029 86.536 1.00105.21 N +ATOM 4243 CA TYR A 78 134.857 135.843 87.583 1.00105.21 C +ATOM 4244 C TYR A 78 134.415 134.900 88.687 1.00105.21 C +ATOM 4245 O TYR A 78 133.320 135.069 89.231 1.00105.21 O +ATOM 4246 CB TYR A 78 135.093 137.160 88.337 1.00105.21 C +ATOM 4247 CG TYR A 78 135.716 138.351 87.665 1.00105.21 C +ATOM 4248 CD1 TYR A 78 137.082 138.451 87.505 1.00105.21 C +ATOM 4249 CD2 TYR A 78 134.929 139.425 87.271 1.00105.21 C +ATOM 4250 CE1 TYR A 78 137.645 139.577 86.929 1.00105.21 C +ATOM 4251 CE2 TYR A 78 135.484 140.546 86.693 1.00105.21 C +ATOM 4252 CZ TYR A 78 136.843 140.612 86.522 1.00105.21 C +ATOM 4253 OH TYR A 78 137.411 141.723 85.950 1.00105.21 O +ATOM 4254 N ALA A 79 135.246 133.906 89.023 1.00101.43 N +ATOM 4255 CA ALA A 79 134.846 132.864 89.963 1.00101.43 C +ATOM 4256 C ALA A 79 135.839 132.780 91.112 1.00101.43 C +ATOM 4257 O ALA A 79 137.005 133.165 90.984 1.00101.43 O +ATOM 4258 CB ALA A 79 134.745 131.499 89.269 1.00101.43 C +ATOM 4259 N ASP A 80 135.356 132.246 92.238 1.00100.93 N +ATOM 4260 CA ASP A 80 136.048 132.324 93.517 1.00100.93 C +ATOM 4261 C ASP A 80 136.680 130.979 93.876 1.00100.93 C +ATOM 4262 O ASP A 80 136.553 129.988 93.154 1.00100.93 O +ATOM 4263 CB ASP A 80 135.066 132.760 94.609 1.00100.93 C +ATOM 4264 CG ASP A 80 134.605 134.192 94.443 1.00100.93 C +ATOM 4265 OD1 ASP A 80 135.371 135.007 93.894 1.00100.93 O +ATOM 4266 OD2 ASP A 80 133.470 134.502 94.860 1.00100.93 O1- +ATOM 4267 N SER A 81 137.366 130.959 95.019 1.00101.62 N +ATOM 4268 CA SER A 81 137.829 129.717 95.640 1.00101.62 C +ATOM 4269 C SER A 81 138.147 129.998 97.100 1.00101.62 C +ATOM 4270 O SER A 81 138.964 130.882 97.387 1.00101.62 O +ATOM 4271 CB SER A 81 139.054 129.150 94.923 1.00101.62 C +ATOM 4272 OG SER A 81 138.809 128.953 93.543 1.00101.62 O +ATOM 4273 N PHE A 82 137.512 129.268 98.013 1.00104.93 N +ATOM 4274 CA PHE A 82 137.791 129.374 99.449 1.00104.93 C +ATOM 4275 C PHE A 82 137.174 128.158 100.142 1.00104.93 C +ATOM 4276 O PHE A 82 136.750 127.207 99.478 1.00104.93 O +ATOM 4277 CB PHE A 82 137.346 130.745 99.973 1.00104.93 C +ATOM 4278 CG PHE A 82 135.876 131.014 99.860 1.00104.93 C +ATOM 4279 CD1 PHE A 82 135.428 131.939 98.937 1.00104.93 C +ATOM 4280 CD2 PHE A 82 134.958 130.435 100.707 1.00104.93 C +ATOM 4281 CE1 PHE A 82 134.093 132.228 98.812 1.00104.93 C +ATOM 4282 CE2 PHE A 82 133.614 130.730 100.585 1.00104.93 C +ATOM 4283 CZ PHE A 82 133.185 131.627 99.640 1.00104.93 C +ATOM 4284 N VAL A 83 137.193 128.141 101.477 1.00108.89 N +ATOM 4285 CA VAL A 83 136.723 126.997 102.260 1.00108.89 C +ATOM 4286 C VAL A 83 136.021 127.510 103.511 1.00108.89 C +ATOM 4287 O VAL A 83 136.448 128.504 104.103 1.00108.89 O +ATOM 4288 CB VAL A 83 137.881 126.049 102.652 1.00108.89 C +ATOM 4289 CG1 VAL A 83 138.745 125.698 101.450 1.00108.89 C +ATOM 4290 CG2 VAL A 83 138.740 126.663 103.750 1.00108.89 C +ATOM 4291 N ILE A 84 134.970 126.802 103.941 1.00114.65 N +ATOM 4292 CA ILE A 84 134.094 127.258 105.013 1.00114.65 C +ATOM 4293 C ILE A 84 133.858 126.121 106.009 1.00114.65 C +ATOM 4294 O ILE A 84 134.071 124.943 105.707 1.00114.65 O +ATOM 4295 CB ILE A 84 132.759 127.777 104.396 1.00114.65 C +ATOM 4296 CG1 ILE A 84 132.995 128.939 103.412 1.00114.65 C +ATOM 4297 CG2 ILE A 84 131.769 128.230 105.432 1.00114.65 C +ATOM 4298 CD1 ILE A 84 133.632 130.187 104.030 1.00114.65 C +ATOM 4299 N ARG A 85 133.391 126.494 107.207 1.00120.78 N +ATOM 4300 CA ARG A 85 132.976 125.534 108.222 1.00120.78 C +ATOM 4301 C ARG A 85 131.787 124.731 107.713 1.00120.78 C +ATOM 4302 O ARG A 85 131.026 125.192 106.858 1.00120.78 O +ATOM 4303 CB ARG A 85 132.605 126.260 109.518 1.00120.78 C +ATOM 4304 CG ARG A 85 132.482 125.394 110.776 1.00120.78 C +ATOM 4305 CD ARG A 85 133.726 125.517 111.641 1.00120.78 C +ATOM 4306 NE ARG A 85 133.764 124.536 112.721 1.00120.78 N +ATOM 4307 CZ ARG A 85 134.733 124.441 113.624 1.00120.78 C +ATOM 4308 NH1 ARG A 85 135.762 125.276 113.636 1.00120.78 N1+ +ATOM 4309 NH2 ARG A 85 134.662 123.491 114.552 1.00120.78 N +ATOM 4310 N GLY A 86 131.650 123.505 108.226 1.00114.83 N +ATOM 4311 CA GLY A 86 130.601 122.625 107.736 1.00114.83 C +ATOM 4312 C GLY A 86 129.201 123.215 107.819 1.00114.83 C +ATOM 4313 O GLY A 86 128.461 123.227 106.835 1.00114.83 O +ATOM 4314 N ASP A 87 128.834 123.750 108.985 1.00120.67 N +ATOM 4315 CA ASP A 87 127.480 124.283 109.154 1.00120.67 C +ATOM 4316 C ASP A 87 127.220 125.468 108.232 1.00120.67 C +ATOM 4317 O ASP A 87 126.151 125.572 107.620 1.00120.67 O +ATOM 4318 CB ASP A 87 127.248 124.697 110.608 1.00120.67 C +ATOM 4319 CG ASP A 87 128.350 125.583 111.140 1.00120.67 C +ATOM 4320 OD1 ASP A 87 129.439 125.563 110.536 1.00120.67 O +ATOM 4321 OD2 ASP A 87 128.135 126.285 112.148 1.00120.67 O1- +ATOM 4322 N GLU A 88 128.193 126.366 108.125 1.00113.98 N +ATOM 4323 CA GLU A 88 128.063 127.696 107.541 1.00113.98 C +ATOM 4324 C GLU A 88 127.757 127.698 106.037 1.00113.98 C +ATOM 4325 O GLU A 88 127.488 128.779 105.500 1.00113.98 O +ATOM 4326 CB GLU A 88 129.353 128.453 107.878 1.00113.98 C +ATOM 4327 CG GLU A 88 129.476 129.899 107.414 1.00113.98 C +ATOM 4328 CD GLU A 88 128.475 130.826 108.071 1.00113.98 C +ATOM 4329 OE1 GLU A 88 128.020 130.520 109.193 1.00113.98 O +ATOM 4330 OE2 GLU A 88 128.160 131.878 107.475 1.00113.98 O1- +ATOM 4331 N VAL A 89 127.729 126.535 105.372 1.00109.23 N +ATOM 4332 CA VAL A 89 127.671 126.479 103.907 1.00109.23 C +ATOM 4333 C VAL A 89 126.455 127.234 103.374 1.00109.23 C +ATOM 4334 O VAL A 89 126.568 128.035 102.439 1.00109.23 O +ATOM 4335 CB VAL A 89 127.701 125.017 103.417 1.00109.23 C +ATOM 4336 CG1 VAL A 89 126.501 124.200 103.917 1.00109.23 C +ATOM 4337 CG2 VAL A 89 127.785 124.970 101.894 1.00109.23 C +ATOM 4338 N ARG A 90 125.276 126.977 103.944 1.00120.14 N +ATOM 4339 CA ARG A 90 124.055 127.614 103.458 1.00120.14 C +ATOM 4340 C ARG A 90 124.139 129.134 103.531 1.00120.14 C +ATOM 4341 O ARG A 90 123.541 129.825 102.699 1.00120.14 O +ATOM 4342 CB ARG A 90 122.843 127.106 104.243 1.00120.14 C +ATOM 4343 CG ARG A 90 122.817 127.504 105.709 1.00120.14 C +ATOM 4344 CD ARG A 90 121.690 126.808 106.455 1.00120.14 C +ATOM 4345 NE ARG A 90 121.956 125.389 106.663 1.00120.14 N +ATOM 4346 CZ ARG A 90 122.851 124.899 107.513 1.00120.14 C +ATOM 4347 NH1 ARG A 90 123.599 125.686 108.270 1.00120.14 N1+ +ATOM 4348 NH2 ARG A 90 122.998 123.581 107.607 1.00120.14 N +ATOM 4349 N GLN A 91 124.882 129.677 104.500 1.00115.34 N +ATOM 4350 CA GLN A 91 124.850 131.114 104.759 1.00115.34 C +ATOM 4351 C GLN A 91 125.476 131.945 103.645 1.00115.34 C +ATOM 4352 O GLN A 91 125.349 133.173 103.679 1.00115.34 O +ATOM 4353 CB GLN A 91 125.553 131.436 106.078 1.00115.34 C +ATOM 4354 CG GLN A 91 124.680 131.257 107.310 1.00115.34 C +ATOM 4355 CD GLN A 91 124.345 129.807 107.583 1.00115.34 C +ATOM 4356 OE1 GLN A 91 125.106 128.906 107.233 1.00115.34 O +ATOM 4357 NE2 GLN A 91 123.196 129.572 108.205 1.00115.34 N +ATOM 4358 N ILE A 92 126.133 131.326 102.666 1.00103.67 N +ATOM 4359 CA ILE A 92 126.682 132.052 101.521 1.00103.67 C +ATOM 4360 C ILE A 92 125.560 132.093 100.489 1.00103.67 C +ATOM 4361 O ILE A 92 125.457 131.243 99.605 1.00103.67 O +ATOM 4362 CB ILE A 92 127.950 131.398 100.981 1.00103.67 C +ATOM 4363 CG1 ILE A 92 128.971 131.222 102.109 1.00103.67 C +ATOM 4364 CG2 ILE A 92 128.535 132.225 99.837 1.00103.67 C +ATOM 4365 CD1 ILE A 92 128.969 129.847 102.748 1.00103.67 C +ATOM 4366 N ALA A 93 124.710 133.108 100.611 1.00102.05 N +ATOM 4367 CA ALA A 93 123.534 133.265 99.769 1.00102.05 C +ATOM 4368 C ALA A 93 123.174 134.744 99.736 1.00102.05 C +ATOM 4369 O ALA A 93 123.614 135.507 100.602 1.00102.05 O +ATOM 4370 CB ALA A 93 122.362 132.430 100.307 1.00102.05 C +ATOM 4371 N PRO A 94 122.393 135.184 98.746 1.00102.45 N +ATOM 4372 CA PRO A 94 122.007 136.600 98.709 1.00102.45 C +ATOM 4373 C PRO A 94 121.171 136.990 99.917 1.00102.45 C +ATOM 4374 O PRO A 94 120.278 136.252 100.340 1.00102.45 O +ATOM 4375 CB PRO A 94 121.208 136.717 97.406 1.00102.45 C +ATOM 4376 CG PRO A 94 120.727 135.350 97.137 1.00102.45 C +ATOM 4377 CD PRO A 94 121.822 134.449 97.605 1.00102.45 C +ATOM 4378 N GLY A 95 121.457 138.173 100.452 1.00108.65 N +ATOM 4379 CA GLY A 95 120.653 138.738 101.526 1.00108.65 C +ATOM 4380 C GLY A 95 120.499 137.850 102.740 1.00108.65 C +ATOM 4381 O GLY A 95 119.391 137.736 103.280 1.00108.65 O +ATOM 4382 N GLN A 96 121.581 137.210 103.179 1.00109.00 N +ATOM 4383 CA GLN A 96 121.556 136.319 104.330 1.00109.00 C +ATOM 4384 C GLN A 96 122.489 136.843 105.410 1.00109.00 C +ATOM 4385 O GLN A 96 123.543 137.413 105.115 1.00109.00 O +ATOM 4386 CB GLN A 96 121.965 134.898 103.936 1.00109.00 C +ATOM 4387 CG GLN A 96 120.880 134.138 103.168 1.00109.00 C +ATOM 4388 CD GLN A 96 120.742 132.677 103.579 1.00109.00 C +ATOM 4389 OE1 GLN A 96 121.588 132.125 104.282 1.00109.00 O +ATOM 4390 NE2 GLN A 96 119.662 132.045 103.135 1.00109.00 N +ATOM 4391 N THR A 97 122.081 136.644 106.658 1.00121.50 N +ATOM 4392 CA THR A 97 122.833 137.076 107.826 1.00121.50 C +ATOM 4393 C THR A 97 123.767 135.955 108.280 1.00121.50 C +ATOM 4394 O THR A 97 123.946 134.946 107.593 1.00121.50 O +ATOM 4395 CB THR A 97 121.885 137.518 108.942 1.00121.50 C +ATOM 4396 OG1 THR A 97 122.645 138.097 110.010 1.00121.50 O +ATOM 4397 CG2 THR A 97 121.065 136.346 109.493 1.00121.50 C +ATOM 4398 N GLY A 98 124.378 136.139 109.451 1.00121.22 N +ATOM 4399 CA GLY A 98 125.226 135.138 110.069 1.00121.22 C +ATOM 4400 C GLY A 98 126.551 135.710 110.522 1.00121.22 C +ATOM 4401 O GLY A 98 126.601 136.836 111.024 1.00121.22 O +ATOM 4402 N LYS A 99 127.626 134.945 110.349 1.00125.44 N +ATOM 4403 CA LYS A 99 128.974 135.354 110.730 1.00125.44 C +ATOM 4404 C LYS A 99 129.847 135.694 109.537 1.00125.44 C +ATOM 4405 O LYS A 99 130.552 136.705 109.559 1.00125.44 O +ATOM 4406 CB LYS A 99 129.645 134.243 111.550 1.00125.44 C +ATOM 4407 CG LYS A 99 131.113 134.484 111.925 1.00125.44 C +ATOM 4408 CD LYS A 99 131.342 135.819 112.625 1.00125.44 C +ATOM 4409 CE LYS A 99 132.808 136.038 112.896 1.00125.44 C +ATOM 4410 NZ LYS A 99 133.560 136.324 111.642 1.00125.44 N1+ +ATOM 4411 N ILE A 100 129.817 134.861 108.500 1.00118.35 N +ATOM 4412 CA ILE A 100 130.539 135.168 107.273 1.00118.35 C +ATOM 4413 C ILE A 100 129.921 136.379 106.590 1.00118.35 C +ATOM 4414 O ILE A 100 130.634 137.236 106.054 1.00118.35 O +ATOM 4415 CB ILE A 100 130.560 133.937 106.348 1.00118.35 C +ATOM 4416 CG1 ILE A 100 131.293 132.759 107.012 1.00118.35 C +ATOM 4417 CG2 ILE A 100 131.178 134.288 105.004 1.00118.35 C +ATOM 4418 CD1 ILE A 100 132.748 133.016 107.406 1.00118.35 C +ATOM 4419 N ALA A 101 128.587 136.478 106.616 1.00123.87 N +ATOM 4420 CA ALA A 101 127.866 137.519 105.889 1.00123.87 C +ATOM 4421 C ALA A 101 128.270 138.930 106.301 1.00123.87 C +ATOM 4422 O ALA A 101 128.055 139.870 105.527 1.00123.87 O +ATOM 4423 CB ALA A 101 126.364 137.346 106.100 1.00123.87 C +ATOM 4424 N ASP A 102 128.850 139.102 107.488 1.00125.85 N +ATOM 4425 CA ASP A 102 129.239 140.407 108.004 1.00125.85 C +ATOM 4426 C ASP A 102 130.729 140.682 107.848 1.00125.85 C +ATOM 4427 O ASP A 102 131.110 141.760 107.382 1.00125.85 O +ATOM 4428 CB ASP A 102 128.852 140.523 109.484 1.00125.85 C +ATOM 4429 CG ASP A 102 127.382 140.256 109.725 1.00125.85 C +ATOM 4430 OD1 ASP A 102 126.543 140.885 109.048 1.00125.85 O +ATOM 4431 OD2 ASP A 102 127.064 139.425 110.599 1.00125.85 O1- +ATOM 4432 N TYR A 103 131.580 139.721 108.214 1.00127.67 N +ATOM 4433 CA TYR A 103 132.979 139.990 108.509 1.00127.67 C +ATOM 4434 C TYR A 103 133.964 139.266 107.604 1.00127.67 C +ATOM 4435 O TYR A 103 135.156 139.592 107.655 1.00127.67 O +ATOM 4436 CB TYR A 103 133.291 139.598 109.964 1.00127.67 C +ATOM 4437 CG TYR A 103 132.598 140.422 111.042 1.00127.67 C +ATOM 4438 CD1 TYR A 103 132.005 141.653 110.765 1.00127.67 C +ATOM 4439 CD2 TYR A 103 132.518 139.945 112.341 1.00127.67 C +ATOM 4440 CE1 TYR A 103 131.375 142.380 111.754 1.00127.67 C +ATOM 4441 CE2 TYR A 103 131.890 140.666 113.333 1.00127.67 C +ATOM 4442 CZ TYR A 103 131.319 141.881 113.035 1.00127.67 C +ATOM 4443 OH TYR A 103 130.692 142.599 114.024 1.00127.67 O +ATOM 4444 N ASN A 104 133.519 138.304 106.790 1.00121.60 N +ATOM 4445 CA ASN A 104 134.429 137.528 105.952 1.00121.60 C +ATOM 4446 C ASN A 104 134.023 137.531 104.484 1.00121.60 C +ATOM 4447 O ASN A 104 134.879 137.412 103.602 1.00121.60 O +ATOM 4448 CB ASN A 104 134.488 136.085 106.452 1.00121.60 C +ATOM 4449 CG ASN A 104 135.560 135.870 107.501 1.00121.60 C +ATOM 4450 OD1 ASN A 104 136.728 136.195 107.289 1.00121.60 O +ATOM 4451 ND2 ASN A 104 135.170 135.302 108.635 1.00121.60 N +ATOM 4452 N TYR A 105 132.728 137.653 104.204 1.00112.24 N +ATOM 4453 CA TYR A 105 132.247 137.651 102.828 1.00112.24 C +ATOM 4454 C TYR A 105 130.815 138.160 102.786 1.00112.24 C +ATOM 4455 O TYR A 105 129.981 137.670 103.549 1.00112.24 O +ATOM 4456 CB TYR A 105 132.332 136.235 102.247 1.00112.24 C +ATOM 4457 CG TYR A 105 132.171 136.133 100.750 1.00112.24 C +ATOM 4458 CD1 TYR A 105 133.276 136.000 99.925 1.00112.24 C +ATOM 4459 CD2 TYR A 105 130.914 136.124 100.166 1.00112.24 C +ATOM 4460 CE1 TYR A 105 133.136 135.890 98.561 1.00112.24 C +ATOM 4461 CE2 TYR A 105 130.765 136.014 98.802 1.00112.24 C +ATOM 4462 CZ TYR A 105 131.880 135.895 98.005 1.00112.24 C +ATOM 4463 OH TYR A 105 131.740 135.784 96.642 1.00112.24 O +ATOM 4464 N LYS A 106 130.500 139.107 101.902 1.00113.70 N +ATOM 4465 CA LYS A 106 129.116 139.495 101.653 1.00113.70 C +ATOM 4466 C LYS A 106 128.828 139.312 100.174 1.00113.70 C +ATOM 4467 O LYS A 106 129.487 139.923 99.326 1.00113.70 O +ATOM 4468 CB LYS A 106 128.827 140.939 102.070 1.00113.70 C +ATOM 4469 CG LYS A 106 127.334 141.299 101.962 1.00113.70 C +ATOM 4470 CD LYS A 106 126.945 142.016 100.669 1.00113.70 C +ATOM 4471 CE LYS A 106 127.367 143.466 100.683 1.00113.70 C +ATOM 4472 NZ LYS A 106 126.997 144.157 99.423 1.00113.70 N1+ +ATOM 4473 N LEU A 107 127.852 138.485 99.879 1.00106.19 N +ATOM 4474 CA LEU A 107 127.381 138.306 98.518 1.00106.19 C +ATOM 4475 C LEU A 107 126.499 139.493 98.125 1.00106.19 C +ATOM 4476 O LEU A 107 125.628 139.884 98.908 1.00106.19 O +ATOM 4477 CB LEU A 107 126.608 137.000 98.393 1.00106.19 C +ATOM 4478 CG LEU A 107 126.234 136.567 96.977 1.00106.19 C +ATOM 4479 CD1 LEU A 107 127.441 135.963 96.284 1.00106.19 C +ATOM 4480 CD2 LEU A 107 125.093 135.578 97.024 1.00106.19 C +ATOM 4481 N PRO A 108 126.713 140.118 96.961 1.00107.20 N +ATOM 4482 CA PRO A 108 125.771 141.153 96.509 1.00107.20 C +ATOM 4483 C PRO A 108 124.352 140.614 96.420 1.00107.20 C +ATOM 4484 O PRO A 108 124.139 139.433 96.164 1.00107.20 O +ATOM 4485 CB PRO A 108 126.306 141.564 95.131 1.00107.20 C +ATOM 4486 CG PRO A 108 127.331 140.589 94.775 1.00107.20 C +ATOM 4487 CD PRO A 108 127.858 140.018 96.039 1.00107.20 C +ATOM 4488 N ASP A 109 123.391 141.446 96.798 1.00109.06 N +ATOM 4489 CA ASP A 109 121.994 141.048 96.743 1.00109.06 C +ATOM 4490 C ASP A 109 121.464 141.143 95.312 1.00109.06 C +ATOM 4491 O ASP A 109 122.034 141.817 94.451 1.00109.06 O +ATOM 4492 CB ASP A 109 121.158 141.919 97.675 1.00109.06 C +ATOM 4493 CG ASP A 109 121.463 141.662 99.136 1.00109.06 C +ATOM 4494 OD1 ASP A 109 121.853 140.524 99.473 1.00109.06 O +ATOM 4495 OD2 ASP A 109 121.316 142.598 99.949 1.00109.06 O1- +ATOM 4496 N ASP A 110 120.349 140.448 95.069 1.00109.97 N +ATOM 4497 CA ASP A 110 119.833 140.199 93.716 1.00109.97 C +ATOM 4498 C ASP A 110 120.914 139.574 92.826 1.00109.97 C +ATOM 4499 O ASP A 110 120.997 139.819 91.621 1.00109.97 O +ATOM 4500 CB ASP A 110 119.272 141.491 93.109 1.00109.97 C +ATOM 4501 CG ASP A 110 118.582 141.270 91.773 1.00109.97 C +ATOM 4502 OD1 ASP A 110 117.458 140.728 91.767 1.00109.97 O +ATOM 4503 OD2 ASP A 110 119.173 141.626 90.733 1.00109.97 O1- +ATOM 4504 N PHE A 111 121.773 138.768 93.437 1.00101.80 N +ATOM 4505 CA PHE A 111 122.852 138.094 92.730 1.00101.80 C +ATOM 4506 C PHE A 111 122.306 136.964 91.872 1.00101.80 C +ATOM 4507 O PHE A 111 121.729 136.006 92.398 1.00101.80 O +ATOM 4508 CB PHE A 111 123.838 137.578 93.766 1.00101.80 C +ATOM 4509 CG PHE A 111 124.981 136.813 93.226 1.00101.80 C +ATOM 4510 CD1 PHE A 111 126.034 137.474 92.645 1.00101.80 C +ATOM 4511 CD2 PHE A 111 125.047 135.443 93.371 1.00101.80 C +ATOM 4512 CE1 PHE A 111 127.107 136.791 92.177 1.00101.80 C +ATOM 4513 CE2 PHE A 111 126.128 134.749 92.905 1.00101.80 C +ATOM 4514 CZ PHE A 111 127.167 135.428 92.309 1.00101.80 C +ATOM 4515 N THR A 112 122.479 137.077 90.554 1.00 99.70 N +ATOM 4516 CA THR A 112 122.193 135.983 89.626 1.00 99.70 C +ATOM 4517 C THR A 112 123.537 135.384 89.233 1.00 99.70 C +ATOM 4518 O THR A 112 124.162 135.788 88.253 1.00 99.70 O +ATOM 4519 CB THR A 112 121.415 136.474 88.413 1.00 99.70 C +ATOM 4520 OG1 THR A 112 122.240 137.358 87.642 1.00 99.70 O +ATOM 4521 CG2 THR A 112 120.154 137.207 88.846 1.00 99.70 C +ATOM 4522 N GLY A 113 123.977 134.417 90.025 1.00 95.07 N +ATOM 4523 CA GLY A 113 125.209 133.692 89.812 1.00 95.07 C +ATOM 4524 C GLY A 113 125.063 132.307 90.395 1.00 95.07 C +ATOM 4525 O GLY A 113 123.938 131.865 90.637 1.00 95.07 O +ATOM 4526 N CYS A 114 126.176 131.615 90.625 1.00 93.26 N +ATOM 4527 CA CYS A 114 126.156 130.279 91.193 1.00 93.26 C +ATOM 4528 C CYS A 114 127.017 130.216 92.444 1.00 93.26 C +ATOM 4529 O CYS A 114 128.056 130.874 92.541 1.00 93.26 O +ATOM 4530 CB CYS A 114 126.696 129.253 90.205 1.00 93.26 C +ATOM 4531 SG CYS A 114 125.615 128.741 88.899 1.00 93.26 S +ATOM 4532 N VAL A 115 126.580 129.384 93.384 1.00 85.06 N +ATOM 4533 CA VAL A 115 127.370 128.953 94.532 1.00 85.06 C +ATOM 4534 C VAL A 115 127.506 127.444 94.440 1.00 85.06 C +ATOM 4535 O VAL A 115 126.503 126.722 94.465 1.00 85.06 O +ATOM 4536 CB VAL A 115 126.751 129.402 95.871 1.00 85.06 C +ATOM 4537 CG1 VAL A 115 125.385 128.767 96.131 1.00 85.06 C +ATOM 4538 CG2 VAL A 115 127.680 129.043 97.028 1.00 85.06 C +ATOM 4539 N ILE A 116 128.735 126.963 94.295 1.00 85.39 N +ATOM 4540 CA ILE A 116 128.988 125.534 94.191 1.00 85.39 C +ATOM 4541 C ILE A 116 129.941 125.234 95.312 1.00 85.39 C +ATOM 4542 O ILE A 116 131.000 125.853 95.393 1.00 85.39 O +ATOM 4543 CB ILE A 116 129.637 125.110 92.862 1.00 85.39 C +ATOM 4544 CG1 ILE A 116 128.731 125.445 91.695 1.00 85.39 C +ATOM 4545 CG2 ILE A 116 129.938 123.602 92.869 1.00 85.39 C +ATOM 4546 CD1 ILE A 116 128.967 126.790 91.162 1.00 85.39 C +ATOM 4547 N ALA A 117 129.624 124.239 96.109 1.00 87.27 N +ATOM 4548 CA ALA A 117 130.451 123.949 97.247 1.00 87.27 C +ATOM 4549 C ALA A 117 130.580 122.462 97.329 1.00 87.27 C +ATOM 4550 O ALA A 117 129.941 121.724 96.573 1.00 87.27 O +ATOM 4551 CB ALA A 117 129.847 124.488 98.543 1.00 87.27 C +ATOM 4552 N TRP A 118 131.348 122.025 98.312 1.00 86.90 N +ATOM 4553 CA TRP A 118 131.380 120.613 98.577 1.00 86.90 C +ATOM 4554 C TRP A 118 132.164 120.312 99.831 1.00 86.90 C +ATOM 4555 O TRP A 118 132.976 121.087 100.330 1.00 86.90 O +ATOM 4556 CB TRP A 118 131.935 119.777 97.390 1.00 86.90 C +ATOM 4557 CG TRP A 118 133.369 119.982 96.946 1.00 86.90 C +ATOM 4558 CD1 TRP A 118 134.420 119.159 97.199 1.00 86.90 C +ATOM 4559 CD2 TRP A 118 133.878 121.006 96.076 1.00 86.90 C +ATOM 4560 NE1 TRP A 118 135.554 119.622 96.594 1.00 86.90 N +ATOM 4561 CE2 TRP A 118 135.249 120.755 95.894 1.00 86.90 C +ATOM 4562 CE3 TRP A 118 133.314 122.120 95.452 1.00 86.90 C +ATOM 4563 CZ2 TRP A 118 136.062 121.574 95.127 1.00 86.90 C +ATOM 4564 CZ3 TRP A 118 134.127 122.934 94.691 1.00 86.90 C +ATOM 4565 CH2 TRP A 118 135.483 122.656 94.534 1.00 86.90 C +ATOM 4566 N ASN A 119 131.871 119.127 100.289 1.00 96.23 N +ATOM 4567 CA ASN A 119 132.727 118.279 101.089 1.00 96.23 C +ATOM 4568 C ASN A 119 133.935 117.678 100.398 1.00 96.23 C +ATOM 4569 O ASN A 119 133.859 117.045 99.347 1.00 96.23 O +ATOM 4570 CB ASN A 119 131.672 117.242 101.526 1.00 96.23 C +ATOM 4571 CG ASN A 119 132.138 115.954 102.072 1.00 96.23 C +ATOM 4572 OD1 ASN A 119 132.109 115.080 101.197 1.00 96.23 O +ATOM 4573 ND2 ASN A 119 132.507 115.730 103.323 1.00 96.23 N +ATOM 4574 N SER A 120 135.053 117.770 101.164 1.00100.60 N +ATOM 4575 CA SER A 120 136.404 117.459 100.714 1.00100.60 C +ATOM 4576 C SER A 120 137.268 116.708 101.727 1.00100.60 C +ATOM 4577 O SER A 120 138.494 116.747 101.589 1.00100.60 O +ATOM 4578 CB SER A 120 137.121 118.760 100.325 1.00100.60 C +ATOM 4579 OG SER A 120 137.217 119.632 101.437 1.00100.60 O +ATOM 4580 N ASN A 121 136.699 116.094 102.774 1.00102.93 N +ATOM 4581 CA ASN A 121 137.491 115.789 103.973 1.00102.93 C +ATOM 4582 C ASN A 121 138.713 114.925 103.668 1.00102.93 C +ATOM 4583 O ASN A 121 139.703 114.961 104.408 1.00102.93 O +ATOM 4584 CB ASN A 121 136.632 115.125 105.048 1.00102.93 C +ATOM 4585 CG ASN A 121 137.234 115.271 106.441 1.00102.93 C +ATOM 4586 OD1 ASN A 121 138.377 115.702 106.589 1.00102.93 O +ATOM 4587 ND2 ASN A 121 136.468 114.914 107.462 1.00102.93 N +ATOM 4588 N ASN A 122 138.663 114.160 102.579 1.00105.37 N +ATOM 4589 CA ASN A 122 139.721 113.224 102.234 1.00105.37 C +ATOM 4590 C ASN A 122 141.082 113.877 102.003 1.00105.37 C +ATOM 4591 O ASN A 122 142.093 113.176 102.118 1.00105.37 O +ATOM 4592 CB ASN A 122 139.306 112.456 100.982 1.00105.37 C +ATOM 4593 CG ASN A 122 139.417 113.294 99.728 1.00105.37 C +ATOM 4594 OD1 ASN A 122 139.035 114.462 99.721 1.00105.37 O +ATOM 4595 ND2 ASN A 122 139.925 112.700 98.658 1.00105.37 N +ATOM 4596 N LEU A 123 141.148 115.191 101.664 1.00105.29 N +ATOM 4597 CA LEU A 123 142.450 115.830 101.421 1.00105.29 C +ATOM 4598 C LEU A 123 142.702 117.074 102.264 1.00105.29 C +ATOM 4599 O LEU A 123 143.845 117.302 102.664 1.00105.29 O +ATOM 4600 CB LEU A 123 142.646 116.193 99.922 1.00105.29 C +ATOM 4601 CG LEU A 123 141.907 117.347 99.233 1.00105.29 C +ATOM 4602 CD1 LEU A 123 142.587 117.680 97.918 1.00105.29 C +ATOM 4603 CD2 LEU A 123 140.471 116.999 98.949 1.00105.29 C +ATOM 4604 N ASP A 124 141.681 117.878 102.553 1.00107.14 N +ATOM 4605 CA ASP A 124 141.892 119.125 103.296 1.00107.14 C +ATOM 4606 C ASP A 124 141.894 118.891 104.807 1.00107.14 C +ATOM 4607 O ASP A 124 141.152 119.520 105.559 1.00107.14 O +ATOM 4608 CB ASP A 124 140.835 120.149 102.896 1.00107.14 C +ATOM 4609 CG ASP A 124 141.149 120.832 101.575 1.00107.14 C +ATOM 4610 OD1 ASP A 124 142.084 120.393 100.874 1.00107.14 O +ATOM 4611 OD2 ASP A 124 140.461 121.819 101.241 1.00107.14 O1- +ATOM 4612 N SER A 125 142.751 117.985 105.267 1.00117.43 N +ATOM 4613 CA SER A 125 142.873 117.685 106.688 1.00117.43 C +ATOM 4614 C SER A 125 144.052 116.743 106.882 1.00117.43 C +ATOM 4615 O SER A 125 144.584 116.171 105.927 1.00117.43 O +ATOM 4616 CB SER A 125 141.594 117.065 107.256 1.00117.43 C +ATOM 4617 OG SER A 125 141.784 116.670 108.604 1.00117.43 O +ATOM 4618 N LYS A 126 144.452 116.594 108.141 1.00125.59 N +ATOM 4619 CA LYS A 126 145.498 115.660 108.532 1.00125.59 C +ATOM 4620 C LYS A 126 145.322 115.376 110.015 1.00125.59 C +ATOM 4621 O LYS A 126 144.520 116.021 110.695 1.00125.59 O +ATOM 4622 CB LYS A 126 146.898 116.211 108.233 1.00125.59 C +ATOM 4623 CG LYS A 126 147.456 117.146 109.304 1.00125.59 C +ATOM 4624 CD LYS A 126 148.599 118.003 108.777 1.00125.59 C +ATOM 4625 CE LYS A 126 149.743 117.154 108.249 1.00125.59 C +ATOM 4626 NZ LYS A 126 150.997 117.938 108.109 1.00125.59 N1+ +ATOM 4627 N VAL A 127 146.051 114.366 110.499 1.00128.68 N +ATOM 4628 CA VAL A 127 146.037 114.051 111.925 1.00128.68 C +ATOM 4629 C VAL A 127 146.412 115.300 112.711 1.00128.68 C +ATOM 4630 O VAL A 127 147.486 115.883 112.516 1.00128.68 O +ATOM 4631 CB VAL A 127 146.970 112.871 112.234 1.00128.68 C +ATOM 4632 CG1 VAL A 127 146.500 111.621 111.504 1.00128.68 C +ATOM 4633 CG2 VAL A 127 148.432 113.183 111.884 1.00128.68 C +ATOM 4634 N GLY A 128 145.509 115.734 113.586 1.00128.07 N +ATOM 4635 CA GLY A 128 145.692 116.945 114.351 1.00128.07 C +ATOM 4636 C GLY A 128 145.182 118.202 113.680 1.00128.07 C +ATOM 4637 O GLY A 128 145.138 119.254 114.330 1.00128.07 O +ATOM 4638 N GLY A 129 144.792 118.130 112.406 1.00131.91 N +ATOM 4639 CA GLY A 129 144.235 119.276 111.713 1.00131.91 C +ATOM 4640 C GLY A 129 145.230 120.044 110.871 1.00131.91 C +ATOM 4641 O GLY A 129 146.371 120.262 111.289 1.00131.91 O +ATOM 4642 N ASN A 130 144.801 120.467 109.682 1.00133.69 N +ATOM 4643 CA ASN A 130 145.644 121.229 108.762 1.00133.69 C +ATOM 4644 C ASN A 130 145.361 122.709 108.992 1.00133.69 C +ATOM 4645 O ASN A 130 144.415 123.273 108.437 1.00133.69 O +ATOM 4646 CB ASN A 130 145.379 120.815 107.319 1.00133.69 C +ATOM 4647 CG ASN A 130 146.533 121.152 106.392 1.00133.69 C +ATOM 4648 OD1 ASN A 130 146.936 122.309 106.282 1.00133.69 O +ATOM 4649 ND2 ASN A 130 147.070 120.140 105.719 1.00133.69 N +ATOM 4650 N TYR A 131 146.187 123.335 109.830 1.00134.07 N +ATOM 4651 CA TYR A 131 146.029 124.738 110.213 1.00134.07 C +ATOM 4652 C TYR A 131 146.599 125.671 109.142 1.00134.07 C +ATOM 4653 O TYR A 131 147.552 126.417 109.360 1.00134.07 O +ATOM 4654 CB TYR A 131 146.677 124.978 111.569 1.00134.07 C +ATOM 4655 CG TYR A 131 146.087 124.121 112.663 1.00134.07 C +ATOM 4656 CD1 TYR A 131 144.959 124.532 113.358 1.00134.07 C +ATOM 4657 CD2 TYR A 131 146.649 122.896 112.989 1.00134.07 C +ATOM 4658 CE1 TYR A 131 144.413 123.750 114.355 1.00134.07 C +ATOM 4659 CE2 TYR A 131 146.110 122.107 113.984 1.00134.07 C +ATOM 4660 CZ TYR A 131 144.992 122.538 114.664 1.00134.07 C +ATOM 4661 OH TYR A 131 144.454 121.753 115.658 1.00134.07 O +ATOM 4662 N ASN A 132 145.986 125.605 107.959 1.00131.53 N +ATOM 4663 CA ASN A 132 146.361 126.428 106.814 1.00131.53 C +ATOM 4664 C ASN A 132 145.218 127.330 106.360 1.00131.53 C +ATOM 4665 O ASN A 132 145.302 127.922 105.277 1.00131.53 O +ATOM 4666 CB ASN A 132 146.819 125.530 105.657 1.00131.53 C +ATOM 4667 CG ASN A 132 148.306 125.244 105.692 1.00131.53 C +ATOM 4668 OD1 ASN A 132 149.121 126.151 105.857 1.00131.53 O +ATOM 4669 ND2 ASN A 132 148.669 123.977 105.534 1.00131.53 N +ATOM 4670 N TYR A 133 144.164 127.471 107.168 1.00127.52 N +ATOM 4671 CA TYR A 133 142.985 128.251 106.810 1.00127.52 C +ATOM 4672 C TYR A 133 142.531 129.043 108.024 1.00127.52 C +ATOM 4673 O TYR A 133 142.403 128.481 109.115 1.00127.52 O +ATOM 4674 CB TYR A 133 141.844 127.350 106.318 1.00127.52 C +ATOM 4675 CG TYR A 133 142.309 126.184 105.482 1.00127.52 C +ATOM 4676 CD1 TYR A 133 142.811 126.380 104.204 1.00127.52 C +ATOM 4677 CD2 TYR A 133 142.271 124.892 105.980 1.00127.52 C +ATOM 4678 CE1 TYR A 133 143.246 125.320 103.439 1.00127.52 C +ATOM 4679 CE2 TYR A 133 142.705 123.825 105.224 1.00127.52 C +ATOM 4680 CZ TYR A 133 143.192 124.044 103.953 1.00127.52 C +ATOM 4681 OH TYR A 133 143.626 122.982 103.195 1.00127.52 O +ATOM 4682 N LEU A 134 142.293 130.341 107.832 1.00130.59 N +ATOM 4683 CA LEU A 134 141.912 131.227 108.923 1.00130.59 C +ATOM 4684 C LEU A 134 140.753 132.110 108.487 1.00130.59 C +ATOM 4685 O LEU A 134 140.492 132.290 107.297 1.00130.59 O +ATOM 4686 CB LEU A 134 143.092 132.097 109.382 1.00130.59 C +ATOM 4687 CG LEU A 134 144.137 131.406 110.270 1.00130.59 C +ATOM 4688 CD1 LEU A 134 145.126 130.548 109.460 1.00130.59 C +ATOM 4689 CD2 LEU A 134 144.868 132.424 111.138 1.00130.59 C +ATOM 4690 N TYR A 135 140.063 132.665 109.482 1.00129.94 N +ATOM 4691 CA TYR A 135 138.876 133.477 109.267 1.00129.94 C +ATOM 4692 C TYR A 135 138.859 134.617 110.276 1.00129.94 C +ATOM 4693 O TYR A 135 139.482 134.549 111.342 1.00129.94 O +ATOM 4694 CB TYR A 135 137.581 132.651 109.357 1.00129.94 C +ATOM 4695 CG TYR A 135 137.366 131.902 110.655 1.00129.94 C +ATOM 4696 CD1 TYR A 135 138.082 130.749 110.947 1.00129.94 C +ATOM 4697 CD2 TYR A 135 136.421 132.332 111.574 1.00129.94 C +ATOM 4698 CE1 TYR A 135 137.880 130.061 112.126 1.00129.94 C +ATOM 4699 CE2 TYR A 135 136.208 131.648 112.755 1.00129.94 C +ATOM 4700 CZ TYR A 135 136.941 130.513 113.025 1.00129.94 C +ATOM 4701 OH TYR A 135 136.735 129.826 114.199 1.00129.94 O +ATOM 4702 N ARG A 136 138.131 135.672 109.916 1.00132.73 N +ATOM 4703 CA ARG A 136 138.090 136.904 110.688 1.00132.73 C +ATOM 4704 C ARG A 136 136.898 136.881 111.631 1.00132.73 C +ATOM 4705 O ARG A 136 135.827 136.379 111.282 1.00132.73 O +ATOM 4706 CB ARG A 136 137.961 138.115 109.761 1.00132.73 C +ATOM 4707 CG ARG A 136 139.243 138.541 109.079 1.00132.73 C +ATOM 4708 CD ARG A 136 139.942 139.653 109.830 1.00132.73 C +ATOM 4709 NE ARG A 136 139.206 140.911 109.755 1.00132.73 N +ATOM 4710 CZ ARG A 136 139.344 141.827 108.805 1.00132.73 C +ATOM 4711 NH1 ARG A 136 140.163 141.653 107.778 1.00132.73 N1+ +ATOM 4712 NH2 ARG A 136 138.634 142.949 108.880 1.00132.73 N +ATOM 4713 N LEU A 137 137.093 137.434 112.829 1.00133.16 N +ATOM 4714 CA LEU A 137 136.042 137.517 113.835 1.00133.16 C +ATOM 4715 C LEU A 137 135.520 138.924 114.064 1.00133.16 C +ATOM 4716 O LEU A 137 134.378 139.078 114.499 1.00133.16 O +ATOM 4717 CB LEU A 137 136.551 136.972 115.174 1.00133.16 C +ATOM 4718 CG LEU A 137 136.291 135.488 115.422 1.00133.16 C +ATOM 4719 CD1 LEU A 137 136.945 134.645 114.341 1.00133.16 C +ATOM 4720 CD2 LEU A 137 136.788 135.086 116.798 1.00133.16 C +ATOM 4721 N PHE A 138 136.341 139.942 113.820 1.00139.09 N +ATOM 4722 CA PHE A 138 135.996 141.332 114.076 1.00139.09 C +ATOM 4723 C PHE A 138 136.176 142.178 112.824 1.00139.09 C +ATOM 4724 O PHE A 138 136.989 141.865 111.950 1.00139.09 O +ATOM 4725 CB PHE A 138 136.827 141.892 115.232 1.00139.09 C +ATOM 4726 CG PHE A 138 136.565 141.205 116.541 1.00139.09 C +ATOM 4727 CD1 PHE A 138 137.170 139.997 116.845 1.00139.09 C +ATOM 4728 CD2 PHE A 138 135.700 141.765 117.466 1.00139.09 C +ATOM 4729 CE1 PHE A 138 136.914 139.361 118.042 1.00139.09 C +ATOM 4730 CE2 PHE A 138 135.447 141.137 118.667 1.00139.09 C +ATOM 4731 CZ PHE A 138 136.056 139.935 118.957 1.00139.09 C +ATOM 4732 N ARG A 139 135.407 143.261 112.762 1.00132.30 N +ATOM 4733 CA ARG A 139 135.570 144.316 111.771 1.00132.30 C +ATOM 4734 C ARG A 139 134.623 145.439 112.161 1.00132.30 C +ATOM 4735 O ARG A 139 133.651 145.226 112.891 1.00132.30 O +ATOM 4736 CB ARG A 139 135.270 143.835 110.344 1.00132.30 C +ATOM 4737 CG ARG A 139 135.802 144.760 109.255 1.00132.30 C +ATOM 4738 CD ARG A 139 135.610 144.172 107.867 1.00132.30 C +ATOM 4739 NE ARG A 139 135.755 145.181 106.823 1.00132.30 N +ATOM 4740 CZ ARG A 139 134.848 146.102 106.521 1.00132.30 C +ATOM 4741 NH1 ARG A 139 133.696 146.187 107.171 1.00132.30 N1+ +ATOM 4742 NH2 ARG A 139 135.102 146.964 105.541 1.00132.30 N +ATOM 4743 N LYS A 140 134.921 146.641 111.669 1.00136.12 N +ATOM 4744 CA LYS A 140 134.200 147.815 112.143 1.00136.12 C +ATOM 4745 C LYS A 140 132.749 147.812 111.682 1.00136.12 C +ATOM 4746 O LYS A 140 131.860 148.235 112.430 1.00136.12 O +ATOM 4747 CB LYS A 140 134.913 149.088 111.684 1.00136.12 C +ATOM 4748 CG LYS A 140 136.256 149.324 112.367 1.00136.12 C +ATOM 4749 CD LYS A 140 136.093 149.832 113.798 1.00136.12 C +ATOM 4750 CE LYS A 140 137.261 149.417 114.679 1.00136.12 C +ATOM 4751 NZ LYS A 140 137.068 149.841 116.093 1.00136.12 N1+ +ATOM 4752 N SER A 141 132.483 147.350 110.463 1.00133.91 N +ATOM 4753 CA SER A 141 131.121 147.344 109.942 1.00133.91 C +ATOM 4754 C SER A 141 130.956 146.168 108.985 1.00133.91 C +ATOM 4755 O SER A 141 131.798 145.267 108.921 1.00133.91 O +ATOM 4756 CB SER A 141 130.813 148.689 109.270 1.00133.91 C +ATOM 4757 OG SER A 141 131.059 149.768 110.155 1.00133.91 O +ATOM 4758 N ASN A 142 129.856 146.188 108.235 1.00129.68 N +ATOM 4759 CA ASN A 142 129.589 145.201 107.203 1.00129.68 C +ATOM 4760 C ASN A 142 130.552 145.368 106.032 1.00129.68 C +ATOM 4761 O ASN A 142 131.209 146.400 105.869 1.00129.68 O +ATOM 4762 CB ASN A 142 128.149 145.322 106.706 1.00129.68 C +ATOM 4763 CG ASN A 142 127.144 144.740 107.677 1.00129.68 C +ATOM 4764 OD1 ASN A 142 127.508 144.067 108.640 1.00129.68 O +ATOM 4765 ND2 ASN A 142 125.867 144.997 107.426 1.00129.68 N +ATOM 4766 N LEU A 143 130.629 144.324 105.214 1.00121.91 N +ATOM 4767 CA LEU A 143 131.452 144.327 104.016 1.00121.91 C +ATOM 4768 C LEU A 143 130.638 144.767 102.804 1.00121.91 C +ATOM 4769 O LEU A 143 129.416 144.606 102.757 1.00121.91 O +ATOM 4770 CB LEU A 143 132.033 142.934 103.775 1.00121.91 C +ATOM 4771 CG LEU A 143 133.304 142.613 104.562 1.00121.91 C +ATOM 4772 CD1 LEU A 143 133.418 141.117 104.803 1.00121.91 C +ATOM 4773 CD2 LEU A 143 134.536 143.136 103.844 1.00121.91 C +ATOM 4774 N LYS A 144 131.333 145.336 101.830 1.00118.34 N +ATOM 4775 CA LYS A 144 130.768 145.664 100.526 1.00118.34 C +ATOM 4776 C LYS A 144 130.669 144.371 99.714 1.00118.34 C +ATOM 4777 O LYS A 144 131.017 143.292 100.197 1.00118.34 O +ATOM 4778 CB LYS A 144 131.636 146.752 99.889 1.00118.34 C +ATOM 4779 CG LYS A 144 131.800 148.027 100.739 1.00118.34 C +ATOM 4780 CD LYS A 144 130.478 148.638 101.248 1.00118.34 C +ATOM 4781 CE LYS A 144 129.557 149.133 100.129 1.00118.34 C +ATOM 4782 NZ LYS A 144 128.121 148.942 100.471 1.00118.34 N1+ +ATOM 4783 N PRO A 145 130.116 144.412 98.495 1.00114.96 N +ATOM 4784 CA PRO A 145 130.112 143.199 97.659 1.00114.96 C +ATOM 4785 C PRO A 145 131.456 142.962 96.980 1.00114.96 C +ATOM 4786 O PRO A 145 131.989 143.847 96.307 1.00114.96 O +ATOM 4787 CB PRO A 145 129.000 143.461 96.635 1.00114.96 C +ATOM 4788 CG PRO A 145 128.644 144.889 96.739 1.00114.96 C +ATOM 4789 CD PRO A 145 129.456 145.535 97.806 1.00114.96 C +ATOM 4790 N PHE A 146 131.997 141.754 97.157 1.00111.54 N +ATOM 4791 CA PHE A 146 133.168 141.288 96.409 1.00111.54 C +ATOM 4792 C PHE A 146 134.395 142.165 96.660 1.00111.54 C +ATOM 4793 O PHE A 146 135.006 142.693 95.728 1.00111.54 O +ATOM 4794 CB PHE A 146 132.876 141.216 94.903 1.00111.54 C +ATOM 4795 CG PHE A 146 131.815 140.213 94.508 1.00111.54 C +ATOM 4796 CD1 PHE A 146 131.627 139.030 95.209 1.00111.54 C +ATOM 4797 CD2 PHE A 146 131.024 140.450 93.396 1.00111.54 C +ATOM 4798 CE1 PHE A 146 130.661 138.127 94.822 1.00111.54 C +ATOM 4799 CE2 PHE A 146 130.062 139.545 93.006 1.00111.54 C +ATOM 4800 CZ PHE A 146 129.881 138.384 93.720 1.00111.54 C +ATOM 4801 N GLU A 147 134.756 142.323 97.933 1.00116.56 N +ATOM 4802 CA GLU A 147 135.993 143.001 98.293 1.00116.56 C +ATOM 4803 C GLU A 147 136.652 142.247 99.437 1.00116.56 C +ATOM 4804 O GLU A 147 136.007 141.500 100.177 1.00116.56 O +ATOM 4805 CB GLU A 147 135.738 144.474 98.664 1.00116.56 C +ATOM 4806 CG GLU A 147 135.302 144.748 100.103 1.00116.56 C +ATOM 4807 CD GLU A 147 133.988 144.093 100.461 1.00116.56 C +ATOM 4808 OE1 GLU A 147 133.548 143.174 99.743 1.00116.56 O +ATOM 4809 OE2 GLU A 147 133.389 144.507 101.470 1.00116.56 O1- +ATOM 4810 N ARG A 148 137.952 142.475 99.571 1.00120.60 N +ATOM 4811 CA ARG A 148 138.829 141.727 100.455 1.00120.60 C +ATOM 4812 C ARG A 148 139.515 142.684 101.418 1.00120.60 C +ATOM 4813 O ARG A 148 139.759 143.848 101.086 1.00120.60 O +ATOM 4814 CB ARG A 148 139.876 140.959 99.643 1.00120.60 C +ATOM 4815 CG ARG A 148 140.716 139.976 100.436 1.00120.60 C +ATOM 4816 CD ARG A 148 141.826 139.366 99.590 1.00120.60 C +ATOM 4817 NE ARG A 148 141.311 138.527 98.510 1.00120.60 N +ATOM 4818 CZ ARG A 148 141.019 138.940 97.281 1.00120.60 C +ATOM 4819 NH1 ARG A 148 141.172 140.202 96.909 1.00120.60 N1+ +ATOM 4820 NH2 ARG A 148 140.555 138.061 96.397 1.00120.60 N +ATOM 4821 N ASP A 149 139.816 142.195 102.620 1.00128.67 N +ATOM 4822 CA ASP A 149 140.733 142.899 103.508 1.00128.67 C +ATOM 4823 C ASP A 149 141.592 141.892 104.257 1.00128.67 C +ATOM 4824 O ASP A 149 141.084 140.991 104.929 1.00128.67 O +ATOM 4825 CB ASP A 149 139.974 143.821 104.478 1.00128.67 C +ATOM 4826 CG ASP A 149 138.759 143.159 105.120 1.00128.67 C +ATOM 4827 OD1 ASP A 149 138.741 141.930 105.314 1.00128.67 O +ATOM 4828 OD2 ASP A 149 137.801 143.892 105.445 1.00128.67 O1- +ATOM 4829 N ILE A 150 142.902 142.040 104.098 1.00127.42 N +ATOM 4830 CA ILE A 150 143.913 141.290 104.832 1.00127.42 C +ATOM 4831 C ILE A 150 144.773 142.308 105.566 1.00127.42 C +ATOM 4832 O ILE A 150 145.369 143.193 104.937 1.00127.42 O +ATOM 4833 CB ILE A 150 144.743 140.379 103.909 1.00127.42 C +ATOM 4834 CG1 ILE A 150 145.668 139.486 104.738 1.00127.42 C +ATOM 4835 CG2 ILE A 150 145.535 141.175 102.866 1.00127.42 C +ATOM 4836 CD1 ILE A 150 146.286 138.360 103.945 1.00127.42 C +ATOM 4837 N SER A 151 144.802 142.226 106.891 1.00136.69 N +ATOM 4838 CA SER A 151 145.419 143.309 107.642 1.00136.69 C +ATOM 4839 C SER A 151 145.641 142.881 109.082 1.00136.69 C +ATOM 4840 O SER A 151 144.926 142.026 109.613 1.00136.69 O +ATOM 4841 CB SER A 151 144.550 144.573 107.601 1.00136.69 C +ATOM 4842 OG SER A 151 144.559 145.165 106.314 1.00136.69 O +ATOM 4843 N THR A 152 146.646 143.499 109.697 1.00149.58 N +ATOM 4844 CA THR A 152 146.974 143.323 111.104 1.00149.58 C +ATOM 4845 C THR A 152 146.376 144.419 111.977 1.00149.58 C +ATOM 4846 O THR A 152 146.689 144.485 113.168 1.00149.58 O +ATOM 4847 CB THR A 152 148.491 143.272 111.300 1.00149.58 C +ATOM 4848 OG1 THR A 152 149.059 144.552 110.999 1.00149.58 O +ATOM 4849 CG2 THR A 152 149.113 142.208 110.403 1.00149.58 C +ATOM 4850 N GLU A 153 145.568 145.308 111.401 1.00154.76 N +ATOM 4851 CA GLU A 153 144.797 146.249 112.201 1.00154.76 C +ATOM 4852 C GLU A 153 143.698 145.487 112.926 1.00154.76 C +ATOM 4853 O GLU A 153 143.062 144.600 112.348 1.00154.76 O +ATOM 4854 CB GLU A 153 144.171 147.340 111.323 1.00154.76 C +ATOM 4855 CG GLU A 153 145.058 147.934 110.221 1.00154.76 C +ATOM 4856 CD GLU A 153 144.289 148.869 109.307 1.00154.76 C +ATOM 4857 OE1 GLU A 153 143.062 149.008 109.489 1.00154.76 O +ATOM 4858 OE2 GLU A 153 144.913 149.461 108.401 1.00154.76 O1- +ATOM 4859 N ILE A 154 143.466 145.837 114.194 1.00154.24 N +ATOM 4860 CA ILE A 154 142.643 145.014 115.071 1.00154.24 C +ATOM 4861 C ILE A 154 141.520 145.877 115.640 1.00154.24 C +ATOM 4862 O ILE A 154 141.616 147.104 115.717 1.00154.24 O +ATOM 4863 CB ILE A 154 143.484 144.382 116.212 1.00154.24 C +ATOM 4864 CG1 ILE A 154 144.690 143.605 115.672 1.00154.24 C +ATOM 4865 CG2 ILE A 154 142.665 143.376 116.987 1.00154.24 C +ATOM 4866 CD1 ILE A 154 145.789 143.349 116.693 1.00154.24 C +ATOM 4867 N TYR A 155 140.442 145.207 116.040 1.00152.09 N +ATOM 4868 CA TYR A 155 139.381 145.818 116.825 1.00152.09 C +ATOM 4869 C TYR A 155 139.867 146.189 118.223 1.00152.09 C +ATOM 4870 O TYR A 155 140.799 145.587 118.764 1.00152.09 O +ATOM 4871 CB TYR A 155 138.184 144.876 116.927 1.00152.09 C +ATOM 4872 CG TYR A 155 136.911 145.573 117.348 1.00152.09 C +ATOM 4873 CD1 TYR A 155 136.230 146.409 116.473 1.00152.09 C +ATOM 4874 CD2 TYR A 155 136.397 145.405 118.625 1.00152.09 C +ATOM 4875 CE1 TYR A 155 135.070 147.052 116.858 1.00152.09 C +ATOM 4876 CE2 TYR A 155 135.238 146.042 119.018 1.00152.09 C +ATOM 4877 CZ TYR A 155 134.578 146.864 118.132 1.00152.09 C +ATOM 4878 OH TYR A 155 133.423 147.500 118.523 1.00152.09 O +ATOM 4879 N GLN A 156 139.222 147.198 118.804 1.00160.67 N +ATOM 4880 CA GLN A 156 139.457 147.612 120.186 1.00160.67 C +ATOM 4881 C GLN A 156 138.115 147.533 120.909 1.00160.67 C +ATOM 4882 O GLN A 156 137.278 148.433 120.789 1.00160.67 O +ATOM 4883 CB GLN A 156 140.053 149.019 120.257 1.00160.67 C +ATOM 4884 CG GLN A 156 141.034 149.372 119.139 1.00160.67 C +ATOM 4885 CD GLN A 156 142.193 148.399 119.023 1.00160.67 C +ATOM 4886 OE1 GLN A 156 142.393 147.541 119.882 1.00160.67 O +ATOM 4887 NE2 GLN A 156 142.974 148.541 117.960 1.00160.67 N +ATOM 4888 N ALA A 157 137.910 146.435 121.644 1.00160.67 N +ATOM 4889 CA ALA A 157 136.674 146.265 122.402 1.00160.67 C +ATOM 4890 C ALA A 157 136.509 147.366 123.439 1.00160.67 C +ATOM 4891 O ALA A 157 135.413 147.913 123.608 1.00160.67 O +ATOM 4892 CB ALA A 157 136.656 144.891 123.072 1.00160.67 C +ATOM 4893 N GLY A 158 137.582 147.703 124.137 1.00162.94 N +ATOM 4894 CA GLY A 158 137.577 148.760 125.128 1.00162.94 C +ATOM 4895 C GLY A 158 137.854 150.114 124.516 1.00162.94 C +ATOM 4896 O GLY A 158 137.546 150.373 123.349 1.00162.94 O +ATOM 4897 N SER A 159 138.449 150.992 125.321 1.00173.03 N +ATOM 4898 CA SER A 159 138.793 152.347 124.909 1.00173.03 C +ATOM 4899 C SER A 159 140.246 152.462 124.466 1.00173.03 C +ATOM 4900 O SER A 159 140.526 153.010 123.396 1.00173.03 O +ATOM 4901 CB SER A 159 138.522 153.327 126.056 1.00173.03 C +ATOM 4902 OG SER A 159 139.437 153.131 127.120 1.00173.03 O +ATOM 4903 N THR A 160 141.172 151.948 125.262 1.00179.11 N +ATOM 4904 CA THR A 160 142.592 152.087 124.962 1.00179.11 C +ATOM 4905 C THR A 160 142.938 151.253 123.729 1.00179.11 C +ATOM 4906 O THR A 160 142.674 150.043 123.730 1.00179.11 O +ATOM 4907 CB THR A 160 143.432 151.633 126.152 1.00179.11 C +ATOM 4908 OG1 THR A 160 143.255 150.225 126.357 1.00179.11 O +ATOM 4909 CG2 THR A 160 143.030 152.385 127.415 1.00179.11 C +ATOM 4910 N PRO A 161 143.497 151.833 122.658 1.00175.69 N +ATOM 4911 CA PRO A 161 143.866 151.003 121.504 1.00175.69 C +ATOM 4912 C PRO A 161 144.934 149.978 121.854 1.00175.69 C +ATOM 4913 O PRO A 161 145.810 150.215 122.688 1.00175.69 O +ATOM 4914 CB PRO A 161 144.389 152.019 120.479 1.00175.69 C +ATOM 4915 CG PRO A 161 143.873 153.325 120.915 1.00175.69 C +ATOM 4916 CD PRO A 161 143.781 153.257 122.397 1.00175.69 C +ATOM 4917 N CYS A 162 144.848 148.826 121.195 1.00168.35 N +ATOM 4918 CA CYS A 162 145.889 147.810 121.272 1.00168.35 C +ATOM 4919 C CYS A 162 146.969 148.134 120.249 1.00168.35 C +ATOM 4920 O CYS A 162 146.706 148.132 119.041 1.00168.35 O +ATOM 4921 CB CYS A 162 145.288 146.431 121.014 1.00168.35 C +ATOM 4922 SG CYS A 162 146.489 145.106 120.816 1.00168.35 S +ATOM 4923 N ASN A 163 148.184 148.408 120.725 1.00169.66 N +ATOM 4924 CA ASN A 163 149.273 148.838 119.846 1.00169.66 C +ATOM 4925 C ASN A 163 149.973 147.619 119.241 1.00169.66 C +ATOM 4926 O ASN A 163 151.133 147.314 119.520 1.00169.66 O +ATOM 4927 CB ASN A 163 150.249 149.721 120.611 1.00169.66 C +ATOM 4928 CG ASN A 163 149.547 150.771 121.450 1.00169.66 C +ATOM 4929 OD1 ASN A 163 148.445 151.210 121.120 1.00169.66 O +ATOM 4930 ND2 ASN A 163 150.182 151.177 122.544 1.00169.66 N +ATOM 4931 N GLY A 164 149.228 146.908 118.396 1.00172.25 N +ATOM 4932 CA GLY A 164 149.793 145.871 117.553 1.00172.25 C +ATOM 4933 C GLY A 164 150.017 144.530 118.227 1.00172.25 C +ATOM 4934 O GLY A 164 149.711 143.483 117.647 1.00172.25 O +ATOM 4935 N VAL A 165 150.542 144.547 119.450 1.00176.90 N +ATOM 4936 CA VAL A 165 150.861 143.322 120.176 1.00176.90 C +ATOM 4937 C VAL A 165 149.603 142.801 120.854 1.00176.90 C +ATOM 4938 O VAL A 165 148.948 143.528 121.609 1.00176.90 O +ATOM 4939 CB VAL A 165 151.981 143.569 121.199 1.00176.90 C +ATOM 4940 CG1 VAL A 165 152.235 142.309 122.018 1.00176.90 C +ATOM 4941 CG2 VAL A 165 153.254 144.025 120.494 1.00176.90 C +ATOM 4942 N GLU A 166 149.263 141.542 120.577 1.00173.69 N +ATOM 4943 CA GLU A 166 148.079 140.928 121.164 1.00173.69 C +ATOM 4944 C GLU A 166 148.151 140.983 122.686 1.00173.69 C +ATOM 4945 O GLU A 166 149.222 140.839 123.281 1.00173.69 O +ATOM 4946 CB GLU A 166 147.965 139.474 120.683 1.00173.69 C +ATOM 4947 CG GLU A 166 146.834 138.629 121.295 1.00173.69 C +ATOM 4948 CD GLU A 166 145.454 139.086 120.870 1.00173.69 C +ATOM 4949 OE1 GLU A 166 145.360 139.903 119.934 1.00173.69 O +ATOM 4950 OE2 GLU A 166 144.460 138.627 121.471 1.00173.69 O1- +ATOM 4951 N GLY A 167 146.995 141.203 123.308 1.00176.36 N +ATOM 4952 CA GLY A 167 146.868 141.224 124.750 1.00176.36 C +ATOM 4953 C GLY A 167 145.601 140.522 125.187 1.00176.36 C +ATOM 4954 O GLY A 167 145.013 139.764 124.409 1.00176.36 O +ATOM 4955 N PHE A 168 145.172 140.755 126.430 1.00174.98 N +ATOM 4956 CA PHE A 168 144.008 140.043 126.944 1.00174.98 C +ATOM 4957 C PHE A 168 142.735 140.369 126.167 1.00174.98 C +ATOM 4958 O PHE A 168 141.838 139.522 126.081 1.00174.98 O +ATOM 4959 CB PHE A 168 143.822 140.360 128.431 1.00174.98 C +ATOM 4960 CG PHE A 168 143.075 141.635 128.691 1.00174.98 C +ATOM 4961 CD1 PHE A 168 143.633 142.859 128.362 1.00174.98 C +ATOM 4962 CD2 PHE A 168 141.812 141.610 129.256 1.00174.98 C +ATOM 4963 CE1 PHE A 168 142.947 144.034 128.597 1.00174.98 C +ATOM 4964 CE2 PHE A 168 141.120 142.782 129.493 1.00174.98 C +ATOM 4965 CZ PHE A 168 141.688 143.995 129.163 1.00174.98 C +ATOM 4966 N ASN A 169 142.633 141.581 125.598 1.00171.69 N +ATOM 4967 CA ASN A 169 141.451 141.985 124.842 1.00171.69 C +ATOM 4968 C ASN A 169 141.765 142.605 123.484 1.00171.69 C +ATOM 4969 O ASN A 169 140.893 143.271 122.915 1.00171.69 O +ATOM 4970 CB ASN A 169 140.610 142.970 125.664 1.00171.69 C +ATOM 4971 CG ASN A 169 141.153 144.383 125.615 1.00171.69 C +ATOM 4972 OD1 ASN A 169 142.364 144.597 125.630 1.00171.69 O +ATOM 4973 ND2 ASN A 169 140.254 145.358 125.536 1.00171.69 N +ATOM 4974 N CYS A 170 142.988 142.463 122.969 1.00169.28 N +ATOM 4975 CA CYS A 170 143.252 142.932 121.611 1.00169.28 C +ATOM 4976 C CYS A 170 142.322 142.267 120.603 1.00169.28 C +ATOM 4977 O CYS A 170 141.754 142.943 119.742 1.00169.28 O +ATOM 4978 CB CYS A 170 144.709 142.689 121.236 1.00169.28 C +ATOM 4979 SG CYS A 170 145.898 143.695 122.153 1.00169.28 S +ATOM 4980 N TYR A 171 142.111 140.955 120.731 1.00156.62 N +ATOM 4981 CA TYR A 171 141.322 140.176 119.773 1.00156.62 C +ATOM 4982 C TYR A 171 141.913 140.257 118.362 1.00156.62 C +ATOM 4983 O TYR A 171 141.277 140.736 117.421 1.00156.62 O +ATOM 4984 CB TYR A 171 139.847 140.593 119.777 1.00156.62 C +ATOM 4985 CG TYR A 171 139.134 140.261 121.065 1.00156.62 C +ATOM 4986 CD1 TYR A 171 138.668 138.977 121.310 1.00156.62 C +ATOM 4987 CD2 TYR A 171 138.910 141.231 122.026 1.00156.62 C +ATOM 4988 CE1 TYR A 171 138.016 138.667 122.488 1.00156.62 C +ATOM 4989 CE2 TYR A 171 138.258 140.934 123.206 1.00156.62 C +ATOM 4990 CZ TYR A 171 137.812 139.650 123.431 1.00156.62 C +ATOM 4991 OH TYR A 171 137.160 139.350 124.605 1.00156.62 O +ATOM 4992 N PHE A 172 143.175 139.809 118.250 1.00147.56 N +ATOM 4993 CA PHE A 172 143.910 139.632 116.995 1.00147.56 C +ATOM 4994 C PHE A 172 143.004 138.995 115.944 1.00147.56 C +ATOM 4995 O PHE A 172 142.453 137.912 116.185 1.00147.56 O +ATOM 4996 CB PHE A 172 145.163 138.778 117.232 1.00147.56 C +ATOM 4997 CG PHE A 172 145.718 138.129 115.992 1.00147.56 C +ATOM 4998 CD1 PHE A 172 146.565 138.830 115.152 1.00147.56 C +ATOM 4999 CD2 PHE A 172 145.429 136.808 115.689 1.00147.56 C +ATOM 5000 CE1 PHE A 172 147.085 138.240 114.017 1.00147.56 C +ATOM 5001 CE2 PHE A 172 145.950 136.213 114.555 1.00147.56 C +ATOM 5002 CZ PHE A 172 146.779 136.930 113.720 1.00147.56 C +ATOM 5003 N PRO A 173 142.823 139.639 114.780 1.00145.74 N +ATOM 5004 CA PRO A 173 141.612 139.402 113.972 1.00145.74 C +ATOM 5005 C PRO A 173 141.410 137.961 113.541 1.00145.74 C +ATOM 5006 O PRO A 173 140.267 137.490 113.495 1.00145.74 O +ATOM 5007 CB PRO A 173 141.819 140.330 112.761 1.00145.74 C +ATOM 5008 CG PRO A 173 143.091 141.106 113.039 1.00145.74 C +ATOM 5009 CD PRO A 173 143.873 140.223 113.934 1.00145.74 C +ATOM 5010 N LEU A 174 142.484 137.247 113.224 1.00137.02 N +ATOM 5011 CA LEU A 174 142.401 135.979 112.516 1.00137.02 C +ATOM 5012 C LEU A 174 142.446 134.836 113.519 1.00137.02 C +ATOM 5013 O LEU A 174 143.283 134.832 114.427 1.00137.02 O +ATOM 5014 CB LEU A 174 143.571 135.836 111.540 1.00137.02 C +ATOM 5015 CG LEU A 174 143.700 136.718 110.293 1.00137.02 C +ATOM 5016 CD1 LEU A 174 144.568 136.018 109.262 1.00137.02 C +ATOM 5017 CD2 LEU A 174 142.368 137.073 109.687 1.00137.02 C +ATOM 5018 N GLN A 175 141.534 133.880 113.361 1.00134.28 N +ATOM 5019 CA GLN A 175 141.554 132.644 114.130 1.00134.28 C +ATOM 5020 C GLN A 175 141.350 131.507 113.143 1.00134.28 C +ATOM 5021 O GLN A 175 140.678 131.671 112.122 1.00134.28 O +ATOM 5022 CB GLN A 175 140.485 132.648 115.260 1.00134.28 C +ATOM 5023 CG GLN A 175 140.031 131.278 115.831 1.00134.28 C +ATOM 5024 CD GLN A 175 138.723 131.360 116.587 1.00134.28 C +ATOM 5025 OE1 GLN A 175 138.069 132.399 116.613 1.00134.28 O +ATOM 5026 NE2 GLN A 175 138.337 130.257 117.215 1.00134.28 N +ATOM 5027 N SER A 176 141.931 130.352 113.449 1.00130.37 N +ATOM 5028 CA SER A 176 141.968 129.255 112.498 1.00130.37 C +ATOM 5029 C SER A 176 140.872 128.244 112.789 1.00130.37 C +ATOM 5030 O SER A 176 140.415 128.090 113.925 1.00130.37 O +ATOM 5031 CB SER A 176 143.328 128.554 112.537 1.00130.37 C +ATOM 5032 OG SER A 176 143.416 127.681 113.650 1.00130.37 O +ATOM 5033 N TYR A 177 140.453 127.560 111.732 1.00127.35 N +ATOM 5034 CA TYR A 177 139.559 126.423 111.859 1.00127.35 C +ATOM 5035 C TYR A 177 140.316 125.233 112.427 1.00127.35 C +ATOM 5036 O TYR A 177 141.437 124.940 112.000 1.00127.35 O +ATOM 5037 CB TYR A 177 138.971 126.053 110.501 1.00127.35 C +ATOM 5038 CG TYR A 177 137.946 127.027 109.969 1.00127.35 C +ATOM 5039 CD1 TYR A 177 138.202 127.778 108.831 1.00127.35 C +ATOM 5040 CD2 TYR A 177 136.724 127.194 110.599 1.00127.35 C +ATOM 5041 CE1 TYR A 177 137.270 128.666 108.338 1.00127.35 C +ATOM 5042 CE2 TYR A 177 135.790 128.082 110.116 1.00127.35 C +ATOM 5043 CZ TYR A 177 136.065 128.813 108.985 1.00127.35 C +ATOM 5044 OH TYR A 177 135.128 129.697 108.504 1.00127.35 O +ATOM 5045 N GLY A 178 139.706 124.548 113.391 1.00126.63 N +ATOM 5046 CA GLY A 178 140.242 123.269 113.813 1.00126.63 C +ATOM 5047 C GLY A 178 139.441 122.156 113.178 1.00126.63 C +ATOM 5048 O GLY A 178 138.319 121.857 113.596 1.00126.63 O +ATOM 5049 N PHE A 179 140.034 121.532 112.165 1.00122.04 N +ATOM 5050 CA PHE A 179 139.440 120.418 111.440 1.00122.04 C +ATOM 5051 C PHE A 179 140.091 119.121 111.895 1.00122.04 C +ATOM 5052 O PHE A 179 141.312 119.055 112.048 1.00122.04 O +ATOM 5053 CB PHE A 179 139.614 120.597 109.929 1.00122.04 C +ATOM 5054 CG PHE A 179 138.860 121.771 109.358 1.00122.04 C +ATOM 5055 CD1 PHE A 179 137.504 121.930 109.589 1.00122.04 C +ATOM 5056 CD2 PHE A 179 139.515 122.722 108.597 1.00122.04 C +ATOM 5057 CE1 PHE A 179 136.818 123.006 109.065 1.00122.04 C +ATOM 5058 CE2 PHE A 179 138.831 123.802 108.072 1.00122.04 C +ATOM 5059 CZ PHE A 179 137.481 123.941 108.305 1.00122.04 C +ATOM 5060 N GLN A 180 139.266 118.106 112.141 1.00123.32 N +ATOM 5061 CA GLN A 180 139.720 116.785 112.531 1.00123.32 C +ATOM 5062 C GLN A 180 139.193 115.742 111.550 1.00123.32 C +ATOM 5063 O GLN A 180 138.045 115.854 111.108 1.00123.32 O +ATOM 5064 CB GLN A 180 139.259 116.434 113.953 1.00123.32 C +ATOM 5065 CG GLN A 180 139.703 117.426 115.038 1.00123.32 C +ATOM 5066 CD GLN A 180 141.209 117.630 115.095 1.00123.32 C +ATOM 5067 OE1 GLN A 180 141.718 118.693 114.737 1.00123.32 O +ATOM 5068 NE2 GLN A 180 141.927 116.609 115.543 1.00123.32 N +ATOM 5069 N PRO A 181 139.990 114.706 111.184 1.00121.97 N +ATOM 5070 CA PRO A 181 139.445 113.637 110.326 1.00121.97 C +ATOM 5071 C PRO A 181 138.327 112.797 110.940 1.00121.97 C +ATOM 5072 O PRO A 181 137.824 111.886 110.276 1.00121.97 O +ATOM 5073 CB PRO A 181 140.674 112.765 110.039 1.00121.97 C +ATOM 5074 CG PRO A 181 141.812 113.683 110.155 1.00121.97 C +ATOM 5075 CD PRO A 181 141.458 114.592 111.284 1.00121.97 C +ATOM 5076 N THR A 182 137.940 113.071 112.192 1.00121.45 N +ATOM 5077 CA THR A 182 136.880 112.351 112.883 1.00121.45 C +ATOM 5078 C THR A 182 135.728 113.242 113.326 1.00121.45 C +ATOM 5079 O THR A 182 134.692 112.711 113.742 1.00121.45 O +ATOM 5080 CB THR A 182 137.441 111.630 114.118 1.00121.45 C +ATOM 5081 OG1 THR A 182 137.828 112.596 115.104 1.00121.45 O +ATOM 5082 CG2 THR A 182 138.644 110.784 113.741 1.00121.45 C +ATOM 5083 N ASN A 183 135.872 114.565 113.256 1.00121.10 N +ATOM 5084 CA ASN A 183 134.850 115.471 113.759 1.00121.10 C +ATOM 5085 C ASN A 183 133.542 115.297 112.985 1.00121.10 C +ATOM 5086 O ASN A 183 133.478 114.640 111.944 1.00121.10 O +ATOM 5087 CB ASN A 183 135.321 116.927 113.656 1.00121.10 C +ATOM 5088 CG ASN A 183 135.930 117.460 114.951 1.00121.10 C +ATOM 5089 OD1 ASN A 183 135.712 116.925 116.037 1.00121.10 O +ATOM 5090 ND2 ASN A 183 136.692 118.538 114.830 1.00121.10 N +ATOM 5091 N GLY A 184 132.490 115.913 113.515 1.00115.26 N +ATOM 5092 CA GLY A 184 131.146 115.691 113.024 1.00115.26 C +ATOM 5093 C GLY A 184 130.906 116.296 111.654 1.00115.26 C +ATOM 5094 O GLY A 184 131.709 117.057 111.114 1.00115.26 O +ATOM 5095 N VAL A 185 129.760 115.921 111.076 1.00112.43 N +ATOM 5096 CA VAL A 185 129.436 116.332 109.711 1.00112.43 C +ATOM 5097 C VAL A 185 129.316 117.849 109.624 1.00112.43 C +ATOM 5098 O VAL A 185 129.833 118.473 108.692 1.00112.43 O +ATOM 5099 CB VAL A 185 128.156 115.626 109.214 1.00112.43 C +ATOM 5100 CG1 VAL A 185 128.358 114.119 109.178 1.00112.43 C +ATOM 5101 CG2 VAL A 185 126.924 115.984 110.059 1.00112.43 C +ATOM 5102 N GLY A 186 128.627 118.464 110.586 1.00113.32 N +ATOM 5103 CA GLY A 186 128.509 119.912 110.638 1.00113.32 C +ATOM 5104 C GLY A 186 129.823 120.662 110.745 1.00113.32 C +ATOM 5105 O GLY A 186 129.840 121.880 110.538 1.00113.32 O +ATOM 5106 N TYR A 187 130.908 119.984 111.126 1.00116.42 N +ATOM 5107 CA TYR A 187 132.212 120.611 111.303 1.00116.42 C +ATOM 5108 C TYR A 187 133.223 120.218 110.231 1.00116.42 C +ATOM 5109 O TYR A 187 134.410 120.524 110.379 1.00116.42 O +ATOM 5110 CB TYR A 187 132.761 120.249 112.687 1.00116.42 C +ATOM 5111 CG TYR A 187 131.950 120.775 113.861 1.00116.42 C +ATOM 5112 CD1 TYR A 187 131.201 121.945 113.768 1.00116.42 C +ATOM 5113 CD2 TYR A 187 131.924 120.082 115.063 1.00116.42 C +ATOM 5114 CE1 TYR A 187 130.466 122.410 114.835 1.00116.42 C +ATOM 5115 CE2 TYR A 187 131.188 120.542 116.136 1.00116.42 C +ATOM 5116 CZ TYR A 187 130.461 121.705 116.016 1.00116.42 C +ATOM 5117 OH TYR A 187 129.727 122.167 117.082 1.00116.42 O +ATOM 5118 N GLN A 188 132.795 119.557 109.157 1.00113.11 N +ATOM 5119 CA GLN A 188 133.735 119.174 108.116 1.00113.11 C +ATOM 5120 C GLN A 188 134.203 120.404 107.336 1.00113.11 C +ATOM 5121 O GLN A 188 133.487 121.404 107.253 1.00113.11 O +ATOM 5122 CB GLN A 188 133.108 118.168 107.147 1.00113.11 C +ATOM 5123 CG GLN A 188 132.796 116.764 107.683 1.00113.11 C +ATOM 5124 CD GLN A 188 133.836 116.161 108.621 1.00113.11 C +ATOM 5125 OE1 GLN A 188 135.024 116.475 108.552 1.00113.11 O +ATOM 5126 NE2 GLN A 188 133.382 115.289 109.513 1.00113.11 N +ATOM 5127 N PRO A 189 135.407 120.359 106.755 1.00105.87 N +ATOM 5128 CA PRO A 189 135.870 121.470 105.915 1.00105.87 C +ATOM 5129 C PRO A 189 135.212 121.427 104.547 1.00105.87 C +ATOM 5130 O PRO A 189 135.533 120.565 103.723 1.00105.87 O +ATOM 5131 CB PRO A 189 137.381 121.225 105.829 1.00105.87 C +ATOM 5132 CG PRO A 189 137.523 119.753 105.921 1.00105.87 C +ATOM 5133 CD PRO A 189 136.333 119.213 106.672 1.00105.87 C +ATOM 5134 N TYR A 190 134.306 122.377 104.285 1.00102.80 N +ATOM 5135 CA TYR A 190 133.613 122.432 102.995 1.00102.80 C +ATOM 5136 C TYR A 190 134.353 123.389 102.072 1.00102.80 C +ATOM 5137 O TYR A 190 134.265 124.611 102.201 1.00102.80 O +ATOM 5138 CB TYR A 190 132.136 122.815 103.087 1.00102.80 C +ATOM 5139 CG TYR A 190 131.202 121.785 103.701 1.00102.80 C +ATOM 5140 CD1 TYR A 190 131.403 120.431 103.521 1.00102.80 C +ATOM 5141 CD2 TYR A 190 130.015 122.176 104.286 1.00102.80 C +ATOM 5142 CE1 TYR A 190 130.532 119.500 104.045 1.00102.80 C +ATOM 5143 CE2 TYR A 190 129.130 121.247 104.808 1.00102.80 C +ATOM 5144 CZ TYR A 190 129.391 119.911 104.677 1.00102.80 C +ATOM 5145 OH TYR A 190 128.508 118.987 105.186 1.00102.80 O +ATOM 5146 N ARG A 191 135.091 122.791 101.146 1.00 97.15 N +ATOM 5147 CA ARG A 191 135.791 123.499 100.089 1.00 97.15 C +ATOM 5148 C ARG A 191 134.774 123.996 99.069 1.00 97.15 C +ATOM 5149 O ARG A 191 134.037 123.194 98.484 1.00 97.15 O +ATOM 5150 CB ARG A 191 136.771 122.514 99.461 1.00 97.15 C +ATOM 5151 CG ARG A 191 137.689 123.015 98.396 1.00 97.15 C +ATOM 5152 CD ARG A 191 138.621 121.875 97.999 1.00 97.15 C +ATOM 5153 NE ARG A 191 139.533 122.189 96.904 1.00 97.15 N +ATOM 5154 CZ ARG A 191 140.723 122.761 97.041 1.00 97.15 C +ATOM 5155 NH1 ARG A 191 141.170 123.171 98.218 1.00 97.15 N1+ +ATOM 5156 NH2 ARG A 191 141.496 122.908 95.970 1.00 97.15 N +ATOM 5157 N VAL A 192 134.696 125.316 98.885 1.00 97.15 N +ATOM 5158 CA VAL A 192 133.641 125.939 98.099 1.00 97.15 C +ATOM 5159 C VAL A 192 134.196 126.936 97.089 1.00 97.15 C +ATOM 5160 O VAL A 192 135.263 127.529 97.285 1.00 97.15 O +ATOM 5161 CB VAL A 192 132.619 126.589 99.070 1.00 97.15 C +ATOM 5162 CG1 VAL A 192 133.303 127.546 100.003 1.00 97.15 C +ATOM 5163 CG2 VAL A 192 131.527 127.337 98.333 1.00 97.15 C +ATOM 5164 N VAL A 193 133.451 127.114 95.993 1.00 91.54 N +ATOM 5165 CA VAL A 193 133.660 128.168 95.017 1.00 91.54 C +ATOM 5166 C VAL A 193 132.335 128.888 94.766 1.00 91.54 C +ATOM 5167 O VAL A 193 131.252 128.423 95.136 1.00 91.54 O +ATOM 5168 CB VAL A 193 134.235 127.628 93.691 1.00 91.54 C +ATOM 5169 CG1 VAL A 193 135.480 126.808 93.950 1.00 91.54 C +ATOM 5170 CG2 VAL A 193 133.205 126.795 92.956 1.00 91.54 C +ATOM 5171 N VAL A 194 132.436 129.992 94.037 1.00 92.98 N +ATOM 5172 CA VAL A 194 131.291 130.809 93.651 1.00 92.98 C +ATOM 5173 C VAL A 194 131.621 131.433 92.308 1.00 92.98 C +ATOM 5174 O VAL A 194 132.731 131.930 92.108 1.00 92.98 O +ATOM 5175 CB VAL A 194 130.985 131.903 94.704 1.00 92.98 C +ATOM 5176 CG1 VAL A 194 130.158 133.041 94.104 1.00 92.98 C +ATOM 5177 CG2 VAL A 194 130.248 131.328 95.891 1.00 92.98 C +ATOM 5178 N LEU A 195 130.661 131.402 91.388 1.00 92.41 N +ATOM 5179 CA LEU A 195 130.747 132.154 90.146 1.00 92.41 C +ATOM 5180 C LEU A 195 129.728 133.280 90.144 1.00 92.41 C +ATOM 5181 O LEU A 195 128.628 133.157 90.688 1.00 92.41 O +ATOM 5182 CB LEU A 195 130.513 131.303 88.894 1.00 92.41 C +ATOM 5183 CG LEU A 195 131.241 129.985 88.694 1.00 92.41 C +ATOM 5184 CD1 LEU A 195 130.403 128.872 89.206 1.00 92.41 C +ATOM 5185 CD2 LEU A 195 131.569 129.779 87.222 1.00 92.41 C +ATOM 5186 N SER A 196 130.114 134.367 89.495 1.00101.69 N +ATOM 5187 CA SER A 196 129.242 135.490 89.214 1.00101.69 C +ATOM 5188 C SER A 196 129.351 135.788 87.733 1.00101.69 C +ATOM 5189 O SER A 196 130.422 135.661 87.143 1.00101.69 O +ATOM 5190 CB SER A 196 129.635 136.731 90.004 1.00101.69 C +ATOM 5191 OG SER A 196 128.729 137.790 89.750 1.00101.69 O +ATOM 5192 N PHE A 197 128.241 136.203 87.140 1.00101.50 N +ATOM 5193 CA PHE A 197 128.164 136.409 85.700 1.00101.50 C +ATOM 5194 C PHE A 197 127.841 137.883 85.517 1.00101.50 C +ATOM 5195 O PHE A 197 126.675 138.278 85.433 1.00101.50 O +ATOM 5196 CB PHE A 197 127.126 135.526 85.059 1.00101.50 C +ATOM 5197 CG PHE A 197 127.360 134.049 85.249 1.00101.50 C +ATOM 5198 CD1 PHE A 197 127.108 133.432 86.465 1.00101.50 C +ATOM 5199 CD2 PHE A 197 127.803 133.272 84.195 1.00101.50 C +ATOM 5200 CE1 PHE A 197 127.319 132.081 86.630 1.00101.50 C +ATOM 5201 CE2 PHE A 197 128.012 131.918 84.355 1.00101.50 C +ATOM 5202 CZ PHE A 197 127.769 131.322 85.574 1.00101.50 C +ATOM 5203 N GLU A 198 128.893 138.687 85.447 1.00115.97 N +ATOM 5204 CA GLU A 198 128.798 140.137 85.367 1.00115.97 C +ATOM 5205 C GLU A 198 129.158 140.551 83.951 1.00115.97 C +ATOM 5206 O GLU A 198 130.328 140.482 83.562 1.00115.97 O +ATOM 5207 CB GLU A 198 129.731 140.792 86.383 1.00115.97 C +ATOM 5208 CG GLU A 198 129.360 140.542 87.838 1.00115.97 C +ATOM 5209 CD GLU A 198 128.050 141.195 88.238 1.00115.97 C +ATOM 5210 OE1 GLU A 198 127.723 142.267 87.687 1.00115.97 O +ATOM 5211 OE2 GLU A 198 127.345 140.635 89.102 1.00115.97 O1- +ATOM 5212 N LEU A 199 128.161 140.999 83.191 1.00120.03 N +ATOM 5213 CA LEU A 199 128.396 141.637 81.900 1.00120.03 C +ATOM 5214 C LEU A 199 128.168 143.117 82.168 1.00120.03 C +ATOM 5215 O LEU A 199 127.056 143.633 82.053 1.00120.03 O +ATOM 5216 CB LEU A 199 127.464 141.077 80.830 1.00120.03 C +ATOM 5217 CG LEU A 199 127.290 141.836 79.507 1.00120.03 C +ATOM 5218 CD1 LEU A 199 128.562 141.837 78.690 1.00120.03 C +ATOM 5219 CD2 LEU A 199 126.157 141.216 78.707 1.00120.03 C +ATOM 5220 N LEU A 200 129.253 143.798 82.535 1.00131.64 N +ATOM 5221 CA LEU A 200 129.204 145.207 82.911 1.00131.64 C +ATOM 5222 C LEU A 200 129.302 146.062 81.652 1.00131.64 C +ATOM 5223 O LEU A 200 130.334 146.662 81.352 1.00131.64 O +ATOM 5224 CB LEU A 200 130.297 145.506 83.937 1.00131.64 C +ATOM 5225 CG LEU A 200 131.790 145.185 83.684 1.00131.64 C +ATOM 5226 CD1 LEU A 200 132.618 146.314 83.039 1.00131.64 C +ATOM 5227 CD2 LEU A 200 132.445 144.717 84.985 1.00131.64 C +ATOM 5228 N HIS A 201 128.168 146.164 80.953 1.00140.62 N +ATOM 5229 CA HIS A 201 127.987 146.992 79.752 1.00140.62 C +ATOM 5230 C HIS A 201 129.208 146.920 78.828 1.00140.62 C +ATOM 5231 O HIS A 201 129.817 147.922 78.456 1.00140.62 O +ATOM 5232 CB HIS A 201 127.610 148.434 80.129 1.00140.62 C +ATOM 5233 CG HIS A 201 128.666 149.185 80.884 1.00140.62 C +ATOM 5234 ND1 HIS A 201 128.858 149.036 82.241 1.00140.62 N +ATOM 5235 CD2 HIS A 201 129.564 150.114 80.479 1.00140.62 C +ATOM 5236 CE1 HIS A 201 129.842 149.824 82.634 1.00140.62 C +ATOM 5237 NE2 HIS A 201 130.288 150.489 81.584 1.00140.62 N +ATOM 5238 N ALA A 202 129.532 145.692 78.432 1.00130.63 N +ATOM 5239 CA ALA A 202 130.857 145.350 77.918 1.00130.63 C +ATOM 5240 C ALA A 202 130.707 144.627 76.583 1.00130.63 C +ATOM 5241 O ALA A 202 130.357 143.434 76.560 1.00130.63 O +ATOM 5242 CB ALA A 202 131.606 144.476 78.916 1.00130.63 C +ATOM 5243 N PRO A 203 130.950 145.302 75.457 1.00137.22 N +ATOM 5244 CA PRO A 203 130.896 144.619 74.159 1.00137.22 C +ATOM 5245 C PRO A 203 131.912 143.491 74.054 1.00137.22 C +ATOM 5246 O PRO A 203 132.785 143.303 74.904 1.00137.22 O +ATOM 5247 CB PRO A 203 131.195 145.736 73.154 1.00137.22 C +ATOM 5248 CG PRO A 203 130.760 146.971 73.830 1.00137.22 C +ATOM 5249 CD PRO A 203 131.056 146.765 75.282 1.00137.22 C +ATOM 5250 N ALA A 204 131.776 142.727 72.970 1.00134.61 N +ATOM 5251 CA ALA A 204 132.654 141.600 72.663 1.00134.61 C +ATOM 5252 C ALA A 204 132.620 140.553 73.779 1.00134.61 C +ATOM 5253 O ALA A 204 133.633 140.224 74.398 1.00134.61 O +ATOM 5254 CB ALA A 204 134.086 142.080 72.402 1.00134.61 C +ATOM 5255 N THR A 205 131.420 140.036 74.027 1.00128.10 N +ATOM 5256 CA THR A 205 131.273 138.934 74.963 1.00128.10 C +ATOM 5257 C THR A 205 131.898 137.667 74.386 1.00128.10 C +ATOM 5258 O THR A 205 132.259 137.594 73.208 1.00128.10 O +ATOM 5259 CB THR A 205 129.799 138.676 75.289 1.00128.10 C +ATOM 5260 OG1 THR A 205 129.699 137.565 76.187 1.00128.10 O +ATOM 5261 CG2 THR A 205 128.975 138.356 74.028 1.00128.10 C +ATOM 5262 N VAL A 206 132.029 136.661 75.247 1.00121.56 N +ATOM 5263 CA VAL A 206 132.561 135.352 74.881 1.00121.56 C +ATOM 5264 C VAL A 206 131.552 134.304 75.336 1.00121.56 C +ATOM 5265 O VAL A 206 131.187 134.268 76.518 1.00121.56 O +ATOM 5266 CB VAL A 206 133.950 135.120 75.502 1.00121.56 C +ATOM 5267 CG1 VAL A 206 134.951 136.120 74.904 1.00121.56 C +ATOM 5268 CG2 VAL A 206 133.915 135.234 77.045 1.00121.56 C +ATOM 5269 N CYS A 207 131.099 133.454 74.405 1.00119.42 N +ATOM 5270 CA CYS A 207 129.914 132.637 74.644 1.00119.42 C +ATOM 5271 C CYS A 207 130.278 131.178 74.917 1.00119.42 C +ATOM 5272 O CYS A 207 131.454 130.811 74.975 1.00119.42 O +ATOM 5273 CB CYS A 207 128.935 132.795 73.470 1.00119.42 C +ATOM 5274 SG CYS A 207 128.211 134.484 73.297 1.00119.42 S +ATOM 5275 N GLY A 208 129.239 130.346 75.094 1.00110.97 N +ATOM 5276 CA GLY A 208 129.399 128.978 75.538 1.00110.97 C +ATOM 5277 C GLY A 208 129.033 127.912 74.515 1.00110.97 C +ATOM 5278 O GLY A 208 128.893 128.189 73.321 1.00110.97 O +ATOM 5279 N PRO A 209 128.880 126.664 74.970 1.00105.14 N +ATOM 5280 CA PRO A 209 128.524 125.572 74.053 1.00105.14 C +ATOM 5281 C PRO A 209 127.102 125.656 73.511 1.00105.14 C +ATOM 5282 O PRO A 209 126.226 126.329 74.058 1.00105.14 O +ATOM 5283 CB PRO A 209 128.707 124.319 74.911 1.00105.14 C +ATOM 5284 CG PRO A 209 128.441 124.776 76.279 1.00105.14 C +ATOM 5285 CD PRO A 209 128.974 126.180 76.361 1.00105.14 C +ATOM 5286 N LYS A 210 126.889 124.940 72.403 1.00113.74 N +ATOM 5287 CA LYS A 210 125.544 124.543 71.966 1.00113.74 C +ATOM 5288 C LYS A 210 125.706 123.203 71.227 1.00113.74 C +ATOM 5289 O LYS A 210 126.168 123.164 70.090 1.00113.74 O +ATOM 5290 CB LYS A 210 124.888 125.645 71.153 1.00113.74 C +ATOM 5291 CG LYS A 210 125.492 125.995 69.805 1.00113.74 C +ATOM 5292 CD LYS A 210 124.767 127.194 69.217 1.00113.74 C +ATOM 5293 CE LYS A 210 125.338 127.594 67.883 1.00113.74 C +ATOM 5294 NZ LYS A 210 125.039 126.534 66.898 1.00113.74 N1+ +ATOM 5295 N LYS A 211 125.415 122.111 71.942 1.00113.68 N +ATOM 5296 CA LYS A 211 126.119 120.837 71.757 1.00113.68 C +ATOM 5297 C LYS A 211 126.378 120.274 70.352 1.00113.68 C +ATOM 5298 O LYS A 211 127.546 120.125 69.980 1.00113.68 O +ATOM 5299 CB LYS A 211 125.344 119.733 72.501 1.00113.68 C +ATOM 5300 CG LYS A 211 125.090 119.925 74.001 1.00113.68 C +ATOM 5301 CD LYS A 211 126.323 119.608 74.828 1.00113.68 C +ATOM 5302 CE LYS A 211 126.340 120.380 76.138 1.00113.68 C +ATOM 5303 NZ LYS A 211 127.158 121.613 76.053 1.00113.68 N1+ +ATOM 5304 N SER A 212 125.345 119.987 69.542 1.00121.65 N +ATOM 5305 CA SER A 212 125.598 119.456 68.196 1.00121.65 C +ATOM 5306 C SER A 212 124.373 119.436 67.278 1.00121.65 C +ATOM 5307 O SER A 212 123.303 119.923 67.654 1.00121.65 O +ATOM 5308 CB SER A 212 126.153 118.030 68.310 1.00121.65 C +ATOM 5309 OG SER A 212 125.229 117.185 68.974 1.00121.65 O +ATOM 5310 N THR A 213 124.530 118.876 66.065 1.00119.50 N +ATOM 5311 CA THR A 213 123.599 117.961 65.388 1.00119.50 C +ATOM 5312 C THR A 213 124.259 117.510 64.080 1.00119.50 C +ATOM 5313 O THR A 213 125.280 118.076 63.687 1.00119.50 O +ATOM 5314 CB THR A 213 122.184 118.525 65.183 1.00119.50 C +ATOM 5315 OG1 THR A 213 121.339 117.497 64.650 1.00119.50 O +ATOM 5316 CG2 THR A 213 122.164 119.678 64.284 1.00119.50 C +ATOM 5317 N ASN A 214 123.735 116.464 63.438 1.00117.97 N +ATOM 5318 CA ASN A 214 124.408 115.716 62.371 1.00117.97 C +ATOM 5319 C ASN A 214 123.763 115.995 61.012 1.00117.97 C +ATOM 5320 O ASN A 214 122.555 115.796 60.846 1.00117.97 O +ATOM 5321 CB ASN A 214 124.385 114.216 62.663 1.00117.97 C +ATOM 5322 CG ASN A 214 125.305 113.431 61.743 1.00117.97 C +ATOM 5323 OD1 ASN A 214 125.089 113.372 60.533 1.00117.97 O +ATOM 5324 ND2 ASN A 214 126.340 112.827 62.315 1.00117.97 N +ATOM 5325 N LEU A 215 124.571 116.453 60.046 1.00115.93 N +ATOM 5326 CA LEU A 215 124.062 117.022 58.799 1.00115.93 C +ATOM 5327 C LEU A 215 123.309 115.987 57.971 1.00115.93 C +ATOM 5328 O LEU A 215 123.584 114.786 58.028 1.00115.93 O +ATOM 5329 CB LEU A 215 125.193 117.518 57.888 1.00115.93 C +ATOM 5330 CG LEU A 215 126.266 118.558 58.199 1.00115.93 C +ATOM 5331 CD1 LEU A 215 127.506 118.299 57.355 1.00115.93 C +ATOM 5332 CD2 LEU A 215 125.749 119.980 58.013 1.00115.93 C +ATOM 5333 N VAL A 216 122.348 116.478 57.187 1.00116.77 N +ATOM 5334 CA VAL A 216 121.733 115.719 56.102 1.00116.77 C +ATOM 5335 C VAL A 216 121.745 116.607 54.858 1.00116.77 C +ATOM 5336 O VAL A 216 121.256 117.743 54.888 1.00116.77 O +ATOM 5337 CB VAL A 216 120.312 115.233 56.454 1.00116.77 C +ATOM 5338 CG1 VAL A 216 119.292 116.365 56.446 1.00116.77 C +ATOM 5339 CG2 VAL A 216 119.890 114.114 55.515 1.00116.77 C +ATOM 5340 N LYS A 217 122.357 116.106 53.788 1.00120.31 N +ATOM 5341 CA LYS A 217 122.719 116.871 52.604 1.00120.31 C +ATOM 5342 C LYS A 217 121.678 116.664 51.494 1.00120.31 C +ATOM 5343 O LYS A 217 120.730 115.885 51.626 1.00120.31 O +ATOM 5344 CB LYS A 217 124.142 116.468 52.178 1.00120.31 C +ATOM 5345 CG LYS A 217 124.849 117.259 51.045 1.00120.31 C +ATOM 5346 CD LYS A 217 124.810 118.786 51.189 1.00120.31 C +ATOM 5347 CE LYS A 217 125.079 119.472 49.858 1.00120.31 C +ATOM 5348 NZ LYS A 217 126.375 119.056 49.257 1.00120.31 N1+ +ATOM 5349 N ASN A 218 121.877 117.365 50.371 1.00124.57 N +ATOM 5350 CA ASN A 218 121.030 117.257 49.178 1.00124.57 C +ATOM 5351 C ASN A 218 119.581 117.665 49.462 1.00124.57 C +ATOM 5352 O ASN A 218 118.641 117.160 48.847 1.00124.57 O +ATOM 5353 CB ASN A 218 121.111 115.838 48.575 1.00124.57 C +ATOM 5354 CG ASN A 218 122.104 115.731 47.417 1.00124.57 C +ATOM 5355 OD1 ASN A 218 122.535 116.727 46.835 1.00124.57 O +ATOM 5356 ND2 ASN A 218 122.470 114.499 47.081 1.00124.57 N +ATOM 5357 N LYS A 219 119.412 118.686 50.302 1.00118.83 N +ATOM 5358 CA LYS A 219 118.106 119.285 50.572 1.00118.83 C +ATOM 5359 C LYS A 219 118.306 120.791 50.660 1.00118.83 C +ATOM 5360 O LYS A 219 119.076 121.281 51.492 1.00118.83 O +ATOM 5361 CB LYS A 219 117.474 118.761 51.873 1.00118.83 C +ATOM 5362 CG LYS A 219 116.496 117.562 51.773 1.00118.83 C +ATOM 5363 CD LYS A 219 117.121 116.185 51.542 1.00118.83 C +ATOM 5364 CE LYS A 219 117.930 115.682 52.719 1.00118.83 C +ATOM 5365 NZ LYS A 219 118.554 114.370 52.395 1.00118.83 N1+ +ATOM 5366 N CYS A 220 117.606 121.504 49.780 1.00122.48 N +ATOM 5367 CA CYS A 220 117.874 122.893 49.422 1.00122.48 C +ATOM 5368 C CYS A 220 117.301 123.902 50.421 1.00122.48 C +ATOM 5369 O CYS A 220 116.781 123.569 51.489 1.00122.48 O +ATOM 5370 CB CYS A 220 117.348 123.169 48.017 1.00122.48 C +ATOM 5371 SG CYS A 220 118.031 124.661 47.260 1.00122.48 S +ATOM 5372 N VAL A 221 117.405 125.175 50.023 1.00123.88 N +ATOM 5373 CA VAL A 221 116.764 126.387 50.553 1.00123.88 C +ATOM 5374 C VAL A 221 116.562 126.593 52.059 1.00123.88 C +ATOM 5375 O VAL A 221 116.088 127.666 52.450 1.00123.88 O +ATOM 5376 CB VAL A 221 115.387 126.556 49.868 1.00123.88 C +ATOM 5377 CG1 VAL A 221 115.547 126.759 48.357 1.00123.88 C +ATOM 5378 CG2 VAL A 221 114.444 125.375 50.165 1.00123.88 C +ATOM 5379 N ASN A 222 116.893 125.626 52.918 1.00124.37 N +ATOM 5380 CA ASN A 222 116.702 125.780 54.356 1.00124.37 C +ATOM 5381 C ASN A 222 118.032 125.587 55.067 1.00124.37 C +ATOM 5382 O ASN A 222 118.811 124.694 54.719 1.00124.37 O +ATOM 5383 CB ASN A 222 115.660 124.786 54.889 1.00124.37 C +ATOM 5384 CG ASN A 222 114.948 125.286 56.142 1.00124.37 C +ATOM 5385 OD1 ASN A 222 114.961 126.475 56.459 1.00124.37 O +ATOM 5386 ND2 ASN A 222 114.296 124.371 56.847 1.00124.37 N +ATOM 5387 N PHE A 223 118.271 126.432 56.068 1.00117.48 N +ATOM 5388 CA PHE A 223 119.583 126.569 56.691 1.00117.48 C +ATOM 5389 C PHE A 223 119.479 126.480 58.200 1.00117.48 C +ATOM 5390 O PHE A 223 120.327 127.019 58.906 1.00117.48 O +ATOM 5391 CB PHE A 223 120.220 127.904 56.299 1.00117.48 C +ATOM 5392 CG PHE A 223 119.431 129.110 56.739 1.00117.48 C +ATOM 5393 CD1 PHE A 223 118.408 129.610 55.955 1.00117.48 C +ATOM 5394 CD2 PHE A 223 119.730 129.758 57.927 1.00117.48 C +ATOM 5395 CE1 PHE A 223 117.689 130.715 56.357 1.00117.48 C +ATOM 5396 CE2 PHE A 223 119.014 130.859 58.332 1.00117.48 C +ATOM 5397 CZ PHE A 223 117.994 131.341 57.546 1.00117.48 C +TER 5398 PHE A 223 +HETATM 5399 C1 NAG C 1 136.680 113.081 85.714 1.00 94.41 C +HETATM 5400 C2 NAG C 1 135.951 111.750 85.600 1.00 94.41 C +HETATM 5401 C3 NAG C 1 136.141 111.168 84.204 1.00 94.41 C +HETATM 5402 C4 NAG C 1 135.777 112.189 83.133 1.00 94.41 C +HETATM 5403 C5 NAG C 1 136.468 113.525 83.390 1.00 94.41 C +HETATM 5404 C6 NAG C 1 135.977 114.623 82.478 1.00 94.41 C +HETATM 5405 C7 NAG C 1 136.181 110.959 87.917 1.00 94.41 C +HETATM 5406 C8 NAG C 1 136.725 109.886 88.810 1.00 94.41 C +HETATM 5407 N2 NAG C 1 136.411 110.807 86.608 1.00 94.41 N +HETATM 5408 O3 NAG C 1 135.322 110.012 84.065 1.00 94.41 O +HETATM 5409 O4 NAG C 1 136.194 111.706 81.862 1.00 94.41 O +HETATM 5410 O5 NAG C 1 136.206 113.964 84.728 1.00 94.41 O +HETATM 5411 O6 NAG C 1 136.356 114.387 81.130 1.00 94.41 O +HETATM 5412 O7 NAG C 1 135.574 111.927 88.360 1.00 94.41 O +HETATM 5413 C1 BMA C 2 135.059 111.206 81.141 1.00110.39 C +HETATM 5414 C2 BMA C 2 135.096 111.813 79.729 1.00110.39 C +HETATM 5415 C3 BMA C 2 134.088 111.147 78.798 1.00110.39 C +HETATM 5416 C4 BMA C 2 134.060 109.615 78.978 1.00110.39 C +HETATM 5417 C5 BMA C 2 133.873 109.300 80.467 1.00110.39 C +HETATM 5418 C6 BMA C 2 133.724 107.817 80.795 1.00110.39 C +HETATM 5419 O2 BMA C 2 136.368 111.619 79.137 1.00110.39 O +HETATM 5420 O3 BMA C 2 134.380 111.518 77.436 1.00110.39 O +HETATM 5421 O4 BMA C 2 132.993 109.055 78.232 1.00110.39 O +HETATM 5422 O5 BMA C 2 135.015 109.802 81.139 1.00110.39 O +HETATM 5423 O6 BMA C 2 135.031 107.183 80.816 1.00110.39 O +HETATM 5424 C1 MAN C 3 133.240 111.499 76.551 1.00123.69 C +HETATM 5425 C2 MAN C 3 133.731 111.847 75.144 1.00123.69 C +HETATM 5426 C3 MAN C 3 132.614 112.509 74.356 1.00123.69 C +HETATM 5427 C4 MAN C 3 131.258 111.904 74.719 1.00123.69 C +HETATM 5428 C5 MAN C 3 130.948 112.145 76.211 1.00123.69 C +HETATM 5429 C6 MAN C 3 130.194 110.990 76.855 1.00123.69 C +HETATM 5430 O2 MAN C 3 134.053 110.677 74.389 1.00123.69 O +HETATM 5431 O3 MAN C 3 132.833 112.392 72.955 1.00123.69 O +HETATM 5432 O4 MAN C 3 130.246 112.503 73.925 1.00123.69 O +HETATM 5433 O5 MAN C 3 132.178 112.327 76.946 1.00123.69 O +HETATM 5434 O6 MAN C 3 130.008 111.287 78.232 1.00123.69 O +HETATM 5435 C1 MAN C 4 135.624 106.943 82.119 1.00117.16 C +HETATM 5436 C2 MAN C 4 136.647 105.807 81.994 1.00117.16 C +HETATM 5437 C3 MAN C 4 135.882 104.516 81.778 1.00117.16 C +HETATM 5438 C4 MAN C 4 134.931 104.259 82.962 1.00117.16 C +HETATM 5439 C5 MAN C 4 133.987 105.457 83.148 1.00117.16 C +HETATM 5440 C6 MAN C 4 133.207 105.379 84.441 1.00117.16 C +HETATM 5441 O2 MAN C 4 137.369 105.643 83.245 1.00117.16 O +HETATM 5442 O3 MAN C 4 136.743 103.405 81.574 1.00117.16 O +HETATM 5443 O4 MAN C 4 134.154 103.100 82.716 1.00117.16 O +HETATM 5444 O5 MAN C 4 134.738 106.698 83.190 1.00117.16 O +HETATM 5445 O6 MAN C 4 133.684 106.402 85.308 1.00117.16 O +CONECT 329 1314 +CONECT 1314 329 +CONECT 2022 3173 +CONECT 3173 2022 +CONECT 3771 3978 +CONECT 3978 3771 +CONECT 4118 4531 +CONECT 4208 5274 +CONECT 4531 4118 +CONECT 4922 4979 +CONECT 4979 4922 +CONECT 5274 4208 +CONECT 5399 5400 5410 +CONECT 5400 5399 5401 5407 +CONECT 5401 5400 5402 5408 +CONECT 5402 5401 5403 5409 +CONECT 5403 5402 5404 5410 +CONECT 5404 5403 5411 +CONECT 5405 5406 5407 5412 +CONECT 5406 5405 +CONECT 5407 5400 5405 +CONECT 5408 5401 +CONECT 5409 5402 5413 +CONECT 5410 5399 5403 +CONECT 5411 5404 +CONECT 5412 5405 +CONECT 5413 5409 5414 5422 +CONECT 5414 5413 5415 5419 +CONECT 5415 5414 5416 5420 +CONECT 5416 5415 5417 5421 +CONECT 5417 5416 5418 5422 +CONECT 5418 5417 5423 +CONECT 5419 5414 +CONECT 5420 5415 5424 +CONECT 5421 5416 +CONECT 5422 5413 5417 +CONECT 5423 5418 5435 +CONECT 5424 5420 5425 5433 +CONECT 5425 5424 5426 5430 +CONECT 5426 5425 5427 5431 +CONECT 5427 5426 5428 5432 +CONECT 5428 5427 5429 5433 +CONECT 5429 5428 5434 +CONECT 5430 5425 +CONECT 5431 5426 +CONECT 5432 5427 +CONECT 5433 5424 5428 +CONECT 5434 5429 +CONECT 5435 5423 5436 5444 +CONECT 5436 5435 5437 5441 +CONECT 5437 5436 5438 5442 +CONECT 5438 5437 5439 5443 +CONECT 5439 5438 5440 5444 +CONECT 5440 5439 5445 +CONECT 5441 5436 +CONECT 5442 5437 +CONECT 5443 5438 +CONECT 5444 5435 5439 +CONECT 5445 5440 +MASTER 5 0 0 0 0 0 0 0 5442 3 59 38 +END diff --git a/tests/protein/test_graphs.py b/tests/protein/test_graphs.py index 9e08bfbfe..80da555f8 100644 --- a/tests/protein/test_graphs.py +++ b/tests/protein/test_graphs.py @@ -50,7 +50,8 @@ ) from graphein.utils.dependencies import is_tool -DATA_PATH = Path(__file__).resolve().parent / "test_data" / "4hhb.pdb" +PDB_DATA_PATH = Path(__file__).resolve().parent / "test_data" / "4hhb.pdb" +CIF_DATA_PATH = Path(__file__).resolve().parent / "test_data" / "4hhb.cif" DSSP_AVAILABLE = is_tool("mkdssp") @@ -59,19 +60,25 @@ def generate_graph(): """Generate PDB network. This is a helper function. """ - return construct_graph(path=str(DATA_PATH)) + return construct_graph(path=str(PDB_DATA_PATH)) @pytest.fixture(scope="module") def net(): - """Generate proteingraph from 2VUI.pdb.""" + """Generate proteingraph from 4HHB.pdb.""" return generate_graph() @pytest.fixture() def pdb_df(): - """Generate pdb_df from 2VIU.pdb.""" - return read_pdb_to_dataframe(DATA_PATH) + """Generate pdb_df from 4HHB.pdb.""" + return read_pdb_to_dataframe(PDB_DATA_PATH) + + +@pytest.fixture() +def cif_to_pdb_df(): + """Generate pdb_df from 4HHB.cif.""" + return read_pdb_to_dataframe(CIF_DATA_PATH) def test_nodes_are_strings(net): @@ -83,14 +90,20 @@ def test_nodes_are_strings(net): assert isinstance(n, str) +def test_pdb_vs_cif_file_parsing(): + """Generate graph from cif and pdb file and compare them""" + G_pdb = construct_graph(path=str(PDB_DATA_PATH)) + G_cif = construct_graph(path=str(CIF_DATA_PATH)) + assert len(G_cif.nodes()) == len(G_pdb.nodes()) + + # Example-based Graph Construction test def test_construct_graph(): """Example-based test that graph construction works correctly. Uses 4hhb PDB file as an example test case. """ - file_path = Path(__file__).parent / "test_data" / "4hhb.pdb" - G = construct_graph(path=str(file_path)) + G = construct_graph(path=str(PDB_DATA_PATH)) assert isinstance(G, nx.Graph) assert len(G) == 574 @@ -426,7 +439,10 @@ def test_alt_loc_exclusion(): ): config.alt_locs = opt g = construct_graph(config=config, pdb_code="2VVI") - assert np.array_equal(g.nodes[node_id]["coords"], expected_coords) + assert np.array_equal( + g.nodes[node_id]["coords"], + np.array(expected_coords, dtype=np.float32), + ) def test_alt_loc_inclusion(): diff --git a/tests/protein/test_utils.py b/tests/protein/test_utils.py index 8d6aa9303..3b26282fd 100644 --- a/tests/protein/test_utils.py +++ b/tests/protein/test_utils.py @@ -27,11 +27,24 @@ def test_save_graph_to_pdb(): # Check file exists assert os.path.isfile("/tmp/test_graph.pdb") - # Check for equivalence between saved and existing DFs. - # We drop the line_idx columns as these will be renumbered + graph_df = ( + g.graph["pdb_df"] + .drop( + [ + "node_id", + "residue_id", + ], + axis=1, + ) + .reset_index(drop=True) + ) + + a.reset_index(drop=True, inplace=True) + a = a[graph_df.columns] # Reorder columns + assert_frame_equal( - a.drop(["line_idx"], axis=1), - g.graph["pdb_df"].drop(["line_idx", "node_id", "residue_id"], axis=1), + a, + graph_df, ) h = construct_graph(path="/tmp/test_graph.pdb") @@ -48,10 +61,17 @@ def test_save_pdb_df_to_pdb(): # Check file exists assert os.path.isfile("/tmp/test_graph.pdb") - # We drop the line_idx columns as these will be renumbered assert_frame_equal( - a.drop(["line_idx"], axis=1), - g.graph["pdb_df"].drop(["line_idx", "node_id", "residue_id"], axis=1), + a, + g.graph["pdb_df"] + .drop( + [ + "node_id", + "residue_id", + ], + axis=1, + ) + .reset_index(drop=True), ) # Now check for raw, unprocessed DF @@ -73,10 +93,10 @@ def test_save_rgroup_df_to_pdb(): # We drop the line_idx columns as these will be renumbered assert_frame_equal( - a.drop(["line_idx"], axis=1), + a, filter_dataframe( g.graph["rgroup_df"], "record_name", ["HETATM"], False - ).drop(["line_idx", "node_id", "residue_id"], axis=1), + ).drop(["node_id", "residue_id"], axis=1), )