diff --git a/unidock/CMakeLists.txt b/unidock/CMakeLists.txt index f920aca..ff2b616 100644 --- a/unidock/CMakeLists.txt +++ b/unidock/CMakeLists.txt @@ -26,6 +26,13 @@ if(NOT DEFINED CMAKE_CUDA_ARCHITECTURES) ) endif() +# Add fast math +option(BUILD_FAST_MATH "Build in fast math mode" ON) +if(BUILD_FAST_MATH) + set(CMAKE_CUDA_FLAGS_RELEASE "${CMAKE_CUDA_FLAGS_RELEASE} --use_fast_math") + message("CMAKE_CUDA_FLAGS_RELEASE updated for fast_math: ${CMAKE_CUDA_FLAGS_RELEASE}") +endif() + set(VINA_BIN_NAME unidock) add_compile_definitions(ENABLE_CUDA) add_compile_definitions(VERSION="v${PROJECT_VERSION}") @@ -61,4 +68,4 @@ add_custom_target( COMMAND ${CLANG_FORMAT} -i ${sources} COMMENT "Running clang-format" VERBATIM -) \ No newline at end of file +) diff --git a/unidock/README.md b/unidock/README.md index 3fb097f..efc925a 100644 --- a/unidock/README.md +++ b/unidock/README.md @@ -235,3 +235,28 @@ DOI 10.1002/jcc.21334 3. Uni-Dock computes slowly for few (<10) ligands. The optimal application of Uni-Dock occurs in scenarios where one binding pocket interacts with numerous (in an order of 1000) ligands. As the number of ligands within a single computational batch increases, the average processing speed improves. In instances where only a few ligands are present for one binding pocket, the overhead proportion becomes considerably large, leading to slower computational performance. + +### Addendum to "FAQ 3 - Uni-Dock computes slowly for few (<10) ligands.": + +The `paired_batch` mode provides a mechanism to accelerate simultaneous 1:1 docking in batches using Vina scoring, using CUDA streams. To run docking using this mode, invoke unidock with the parameter `--paired_batch_size` value >0, with the protein:ligand configurations passed in JSON form using `--ligand_index`. The JSON file should use schema defined in paired_batching.schema.json. + +A sample input data.json is as below, complying to the schema: +``` +{ + "7LCU": { + "protein": "molecular_docking/PoseBuster/7LCU/7LCU_receptor.pdbqt", + "ligand": "molecular_docking/PoseBuster/7LCU/7LCU_ligand_prep.sdf", + "ligand_config": "molecular_docking/PoseBuster/7LCU/docking_grid.json" + }, + "7KZ9": { + "protein": "molecular_docking/PoseBuster/7KZ9/7KZ9_receptor.pdbqt", + "ligand": "molecular_docking/PoseBuster/7KZ9/7KZ9_ligand_prep.sdf", + "ligand_config": "molecular_docking/PoseBuster/7KZ9/docking_grid.json" + } +} +``` + +A typical usage using paired_batch mode is as shown below, with batch size of 10. + +`build/unidock --paired_batch_size 10 --ligand_index data_pb1.json --size_x 25 --size_y 25 --size_z 25 --dir test/prof_25_1024_80 --exhaustiveness 1024 --max_step 80 --seed 5` + diff --git a/unidock/example/paired_batch/actives1.pdbqt b/unidock/example/paired_batch/actives1.pdbqt new file mode 100644 index 0000000..1980e09 --- /dev/null +++ b/unidock/example/paired_batch/actives1.pdbqt @@ -0,0 +1,76 @@ +REMARK Name = CHEMBL417870 +REMARK 12 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK 1 A between atoms: C_1 and C_5 +REMARK 2 A between atoms: N_3 and C_19 +REMARK 3 A between atoms: C_5 and N_6 +REMARK 4 A between atoms: C_5 and C_14 +REMARK 5 A between atoms: N_9 and O_12 +REMARK 6 A between atoms: C_14 and C_15 +REMARK 7 A between atoms: C_15 and C_16 +REMARK 8 A between atoms: C_16 and C_18 +REMARK 9 A between atoms: C_19 and C_20 +REMARK 10 A between atoms: C_19 and C_30 +REMARK 11 A between atoms: CA_26 and C_27 +REMARK 12 A between atoms: C_27 and O_28 +REMARK x y z vdW Elec q Type +REMARK _______ _______ _______ _____ _____ ______ ____ +ROOT +ATOM 1 C UNK A 1 -4.250 -4.409 0.280 0.00 0.00 +0.560 C +ATOM 2 O UNK A 1 -4.774 -4.759 -0.756 0.00 0.00 -0.457 OA +ATOM 3 N UNK A 1 -4.883 -4.601 1.454 0.00 0.00 -0.676 N +ATOM 4 H UNK A 1 -4.464 -4.321 2.283 0.00 0.00 +0.343 HD +ENDROOT +BRANCH 1 5 +ATOM 5 C UNK A 1 -2.890 -3.760 0.255 0.00 0.00 +0.135 C +BRANCH 5 6 +ATOM 6 N UNK A 1 -2.217 -4.083 -1.006 0.00 0.00 -0.731 N +ATOM 7 C UNK 1 -2.773 -3.720 -2.179 0.00 0.00 +0.831 C +ATOM 8 O UNK 1 -3.833 -3.124 -2.190 0.00 0.00 -0.472 OA +ATOM 9 N UNK 1 -2.155 -4.018 -3.338 0.00 0.00 -0.494 N +ATOM 10 H UNK A 1 -1.372 -4.559 -0.996 0.00 0.00 +0.338 HD +ATOM 11 H UNK 1 -1.309 -4.493 -3.329 0.00 0.00 +0.302 HD +BRANCH 9 12 +ATOM 12 O UNK 1 -2.739 -3.636 -4.571 0.00 0.00 -0.427 OA +ATOM 13 H UNK 1 -2.222 -3.893 -5.347 0.00 0.00 +0.334 HD +ENDBRANCH 9 12 +ENDBRANCH 5 6 +BRANCH 5 14 +ATOM 14 C UNK A 1 -3.047 -2.243 0.374 0.00 0.00 +0.039 C +BRANCH 14 15 +ATOM 15 C UNK A 1 -1.666 -1.593 0.475 0.00 0.00 +0.029 C +BRANCH 15 16 +ATOM 16 C UNK A 1 -1.823 -0.076 0.594 0.00 0.00 +0.024 C +BRANCH 16 18 +ATOM 17 C UNK A 1 -0.599 2.091 0.814 0.00 0.00 +0.034 C +ATOM 18 C UNK A 1 -0.441 0.574 0.694 0.00 0.00 +0.017 C +ENDBRANCH 16 18 +ENDBRANCH 15 16 +ENDBRANCH 14 15 +ENDBRANCH 5 14 +ENDBRANCH 1 5 +BRANCH 3 19 +ATOM 19 C UNK A 1 -6.205 -5.233 1.478 0.00 0.00 +0.173 C +BRANCH 19 20 +ATOM 20 C UNK A 1 -6.428 -5.880 2.821 0.00 0.00 +0.488 C +ATOM 21 O UNK A 1 -5.838 -5.469 3.797 0.00 0.00 -0.487 OA +ATOM 22 N PRO A 2 -7.283 -6.916 2.936 0.00 0.00 -0.461 N +ATOM 23 CD PRO A 2 -7.986 -7.577 1.822 0.00 0.00 +0.179 C +ATOM 24 CG PRO A 2 -9.240 -8.217 2.468 0.00 0.00 +0.017 C +ATOM 25 CB PRO A 2 -8.681 -8.682 3.839 0.00 0.00 +0.033 C +ATOM 26 CA PRO A 2 -7.663 -7.577 4.192 0.00 0.00 +0.169 C +BRANCH 26 27 +ATOM 27 C PRO A 2 -6.428 -8.195 4.850 0.00 0.00 +0.221 C +BRANCH 27 28 +ATOM 28 O PRO A 2 -5.917 -9.239 4.019 0.00 0.00 -0.549 OA +ATOM 29 H PRO A 2 -5.131 -9.676 4.375 0.00 0.00 +0.327 HD +ENDBRANCH 27 28 +ENDBRANCH 26 27 +ENDBRANCH 19 20 +BRANCH 19 30 +ATOM 30 C UNK A 1 -7.281 -4.172 1.238 0.00 0.00 -0.013 C +ATOM 31 C UNK A 1 -7.111 -3.035 2.248 0.00 0.00 +0.060 C +ATOM 32 C UNK A 1 -7.144 -3.618 -0.181 0.00 0.00 +0.113 C +ENDBRANCH 19 30 +ENDBRANCH 3 19 +TORSDOF 12 diff --git a/unidock/example/paired_batch/actives3.pdbqt b/unidock/example/paired_batch/actives3.pdbqt new file mode 100644 index 0000000..1c7c580 --- /dev/null +++ b/unidock/example/paired_batch/actives3.pdbqt @@ -0,0 +1,66 @@ +REMARK Name = CHEMBL91903 +REMARK 10 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK 1 A between atoms: C_1 and C_5 +REMARK 2 A between atoms: N_3 and C_16 +REMARK 3 A between atoms: C_5 and C_6 +REMARK 4 A between atoms: C_5 and C_10 +REMARK 5 A between atoms: C_6 and C_7 +REMARK 6 A between atoms: C_7 and C_9 +REMARK 7 A between atoms: C_10 and N_11 +REMARK 8 A between atoms: N_11 and O_14 +REMARK 9 A between atoms: C_16 and C_17 +REMARK 10 A between atoms: C_16 and C_25 +REMARK x y z vdW Elec q Type +REMARK _______ _______ _______ _____ _____ ______ ____ +ROOT +ATOM 1 C UNL A 1 0.937 -3.560 -3.204 0.00 0.00 +0.568 C +ATOM 2 O UNL A 1 0.352 -3.902 -2.198 0.00 0.00 -0.493 OA +ATOM 3 N UNL A 1 1.645 -4.463 -3.911 0.00 0.00 -0.677 N +ATOM 4 H UNL A 1 2.113 -4.190 -4.715 0.00 0.00 +0.347 HD +ENDROOT +BRANCH 1 5 +ATOM 5 C UNL A 1 0.873 -2.126 -3.663 0.00 0.00 -0.095 C +BRANCH 5 6 +ATOM 6 C UNL A 1 0.013 -1.317 -2.690 0.00 0.00 +0.099 C +BRANCH 6 7 +ATOM 7 C UNL A 1 0.698 -1.266 -1.323 0.00 0.00 +0.048 C +BRANCH 7 9 +ATOM 8 C UNL A 1 0.579 -0.317 0.985 0.00 0.00 +0.059 C +ATOM 9 C UNL A 1 -0.107 -0.368 -0.382 0.00 0.00 +0.038 C +ENDBRANCH 7 9 +ENDBRANCH 6 7 +ENDBRANCH 5 6 +BRANCH 5 10 +ATOM 10 C UNL A 1 0.257 -2.066 -5.061 0.00 0.00 +0.177 C +BRANCH 10 11 +ATOM 11 N UNL A 1 0.240 -0.677 -5.528 0.00 0.00 -0.244 N +ATOM 12 C UNL A 1 1.375 -0.101 -5.969 0.00 0.00 +0.476 C +ATOM 13 O UNL A 1 1.362 1.049 -6.355 0.00 0.00 -0.462 OA +BRANCH 11 14 +ATOM 14 O UNL A 1 -0.969 0.060 -5.515 0.00 0.00 -0.457 OA +ATOM 15 H UNL A 1 -0.881 0.966 -5.841 0.00 0.00 +0.363 HD +ENDBRANCH 11 14 +ENDBRANCH 10 11 +ENDBRANCH 5 10 +ENDBRANCH 1 5 +BRANCH 3 16 +ATOM 16 C UNL A 1 1.707 -5.857 -3.465 0.00 0.00 +0.171 C +BRANCH 16 17 +ATOM 17 C UNL A 1 2.965 -6.498 -3.992 0.00 0.00 +0.484 C +ATOM 18 O UNL A 1 3.371 -6.216 -5.099 0.00 0.00 -0.479 OA +ATOM 19 N UNL A 1 3.639 -7.385 -3.233 0.00 0.00 -0.464 N +ATOM 20 C UNL A 1 3.110 -7.824 -1.931 0.00 0.00 +0.157 C +ATOM 21 C UNL A 1 3.133 -9.356 -1.893 0.00 0.00 +0.221 C +ATOM 22 O UNL A 1 4.442 -9.816 -2.234 0.00 0.00 -0.457 OA +ATOM 23 C UNL A 1 4.859 -9.469 -3.557 0.00 0.00 +0.224 C +ATOM 24 C UNL A 1 4.922 -7.947 -3.683 0.00 0.00 +0.207 C +ENDBRANCH 16 17 +BRANCH 16 25 +ATOM 25 C UNL A 1 0.488 -6.617 -3.993 0.00 0.00 -0.026 C +ATOM 26 C UNL A 1 0.467 -6.547 -5.521 0.00 0.00 +0.078 C +ATOM 27 C UNL A 1 0.567 -8.079 -3.550 0.00 0.00 +0.037 C +ATOM 28 C UNL A 1 -0.788 -5.984 -3.436 0.00 0.00 +0.099 C +ENDBRANCH 16 25 +ENDBRANCH 3 16 +TORSDOF 10 diff --git a/unidock/example/paired_batch/actives4.pdbqt b/unidock/example/paired_batch/actives4.pdbqt new file mode 100644 index 0000000..750c5e0 --- /dev/null +++ b/unidock/example/paired_batch/actives4.pdbqt @@ -0,0 +1,70 @@ +REMARK Name = CHEMBL364979 +REMARK 8 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK 1 A between atoms: C_12 and C_31 +REMARK 2 A between atoms: C_16 and C_25 +REMARK 3 A between atoms: C_25 and N_26 +REMARK 4 A between atoms: N_26 and O_29 +REMARK 5 A between atoms: C_31 and C_32 +REMARK 6 A between atoms: C_32 and C_33 +REMARK 7 A between atoms: C_33 and C_34 +REMARK 8 A between atoms: C_34 and N_35 +REMARK x y z vdW Elec q Type +REMARK _______ _______ _______ _____ _____ ______ ____ +ROOT +ATOM 1 C UNL A 1 0.414 0.964 -0.129 0.00 0.00 +0.014 C +ATOM 2 C UNL A 1 1.860 1.464 -0.117 0.00 0.00 +0.014 C +ATOM 3 C UNL A 1 1.922 2.827 0.577 0.00 0.00 +0.014 C +ATOM 4 C UNL A 1 3.333 3.058 1.122 0.00 0.00 +0.016 C +ATOM 5 C UNL A 1 3.279 4.077 2.261 0.00 0.00 +0.013 C +ATOM 6 C UNL A 1 3.984 3.505 3.492 0.00 0.00 +0.017 C +ATOM 7 C UNL A 1 3.035 3.552 4.691 0.00 0.00 +0.019 C +ATOM 8 C UNL A 1 3.816 3.249 5.972 0.00 0.00 +0.227 C +ATOM 9 N UNL A 1 2.868 2.751 6.996 0.00 0.00 -0.686 N +ATOM 10 C UNL A 1 2.668 1.399 6.991 0.00 0.00 +0.550 C +ATOM 11 O UNL A 1 3.243 0.692 6.191 0.00 0.00 -0.479 OA +ATOM 12 C UNL A 1 1.718 0.804 7.998 0.00 0.00 +0.141 C +ATOM 13 N UNL A 1 1.463 -0.606 7.637 0.00 0.00 -0.659 N +ATOM 14 C UNL A 1 0.527 -0.824 6.672 0.00 0.00 +0.567 C +ATOM 15 O UNL A 1 -0.052 0.107 6.155 0.00 0.00 -0.491 OA +ATOM 16 C UNL A 1 0.221 -2.240 6.256 0.00 0.00 -0.092 C +ATOM 17 C UNL A 1 -1.029 -2.253 5.373 0.00 0.00 +0.089 C +ATOM 18 C UNL A 1 -0.679 -2.837 4.003 0.00 0.00 +0.032 C +ATOM 19 C UNL A 1 -1.417 -2.056 2.913 0.00 0.00 +0.026 C +ATOM 20 C UNL A 1 -0.676 -2.214 1.583 0.00 0.00 +0.019 C +ATOM 21 C UNL A 1 -0.915 -0.975 0.717 0.00 0.00 +0.016 C +ATOM 22 C UNL A 1 0.399 -0.555 0.055 0.00 0.00 +0.015 C +ATOM 23 H UNL A 1 2.423 3.341 7.625 0.00 0.00 +0.325 HD +ATOM 24 H UNL A 1 1.936 -1.337 8.065 0.00 0.00 +0.326 HD +ENDROOT +BRANCH 16 25 +ATOM 25 C UNL A 1 -0.025 -3.096 7.500 0.00 0.00 +0.159 C +BRANCH 25 26 +ATOM 26 N UNL A 1 -0.197 -4.495 7.104 0.00 0.00 -0.249 N +ATOM 27 C UNL A 1 0.874 -5.233 6.750 0.00 0.00 +0.456 C +ATOM 28 O UNL A 1 0.745 -6.415 6.510 0.00 0.00 -0.474 OA +BRANCH 26 29 +ATOM 29 O UNL A 1 -1.490 -5.074 7.092 0.00 0.00 -0.467 OA +ATOM 30 H UNL A 1 -1.503 -6.001 6.817 0.00 0.00 +0.353 HD +ENDBRANCH 26 29 +ENDBRANCH 25 26 +ENDBRANCH 16 25 +BRANCH 12 31 +ATOM 31 C UNL A 1 2.341 0.874 9.394 0.00 0.00 -0.008 C +BRANCH 31 32 +ATOM 32 C UNL A 1 1.326 0.387 10.430 0.00 0.00 +0.018 C +BRANCH 32 33 +ATOM 33 C UNL A 1 1.902 0.573 11.835 0.00 0.00 -0.032 C +BRANCH 33 34 +ATOM 34 C UNL A 1 0.888 0.086 12.871 0.00 0.00 +0.218 C +BRANCH 34 35 +ATOM 35 N UNL A 1 1.441 0.265 14.220 0.00 0.00 -1.044 N +ATOM 36 H UNL A 1 0.772 -0.057 14.904 0.00 0.00 +0.345 HD +ATOM 37 H UNL A 1 2.294 -0.268 14.308 0.00 0.00 +0.346 HD +ATOM 38 H UNL A 1 1.638 1.242 14.376 0.00 0.00 +0.346 HD +ENDBRANCH 34 35 +ENDBRANCH 33 34 +ENDBRANCH 32 33 +ENDBRANCH 31 32 +ENDBRANCH 12 31 +TORSDOF 8 diff --git a/unidock/example/paired_batch/actives5.pdbqt b/unidock/example/paired_batch/actives5.pdbqt new file mode 100644 index 0000000..c8ad3ad --- /dev/null +++ b/unidock/example/paired_batch/actives5.pdbqt @@ -0,0 +1,71 @@ +REMARK Name = CHEMBL330263 +REMARK 12 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK 1 A between atoms: C_1 and C_5 +REMARK 2 A between atoms: N_3 and C_16 +REMARK 3 A between atoms: C_5 and C_6 +REMARK 4 A between atoms: C_5 and C_10 +REMARK 5 A between atoms: C_6 and C_7 +REMARK 6 A between atoms: C_7 and C_9 +REMARK 7 A between atoms: C_10 and N_11 +REMARK 8 A between atoms: N_11 and O_14 +REMARK 9 A between atoms: C_16 and C_17 +REMARK 10 A between atoms: C_16 and C_22 +REMARK 11 A between atoms: C_22 and C_23 +REMARK 12 A between atoms: C_23 and S_26 +REMARK x y z vdW Elec q Type +REMARK _______ _______ _______ _____ _____ ______ ____ +ROOT +ATOM 1 C UNL A 1 1.710 -4.065 -2.416 0.00 0.00 +0.603 C +ATOM 2 O UNL A 1 1.011 -4.567 -1.562 0.00 0.00 -0.477 OA +ATOM 3 N UNL A 1 2.311 -4.842 -3.339 0.00 0.00 -0.581 N +ATOM 4 H UNL A 1 2.871 -4.441 -4.022 0.00 0.00 +0.397 HD +ENDROOT +BRANCH 1 5 +ATOM 5 C UNL A 1 1.909 -2.571 -2.446 0.00 0.00 -0.089 C +BRANCH 5 6 +ATOM 6 C UNL A 1 1.124 -1.930 -1.299 0.00 0.00 +0.106 C +BRANCH 6 7 +ATOM 7 C UNL A 1 1.733 -2.357 0.037 0.00 0.00 +0.061 C +BRANCH 7 9 +ATOM 8 C UNL A 1 1.643 -2.042 2.514 0.00 0.00 +0.073 C +ATOM 9 C UNL A 1 1.034 -1.615 1.178 0.00 0.00 +0.044 C +ENDBRANCH 7 9 +ENDBRANCH 6 7 +ENDBRANCH 5 6 +BRANCH 5 10 +ATOM 10 C UNL A 1 1.407 -2.016 -3.780 0.00 0.00 +0.276 C +BRANCH 10 11 +ATOM 11 N UNL A 1 1.665 -0.575 -3.838 0.00 0.00 -0.248 N +ATOM 12 C UNL A 1 2.917 -0.123 -4.047 0.00 0.00 +0.503 C +ATOM 13 O UNL A 1 3.131 1.070 -4.095 0.00 0.00 -0.457 OA +BRANCH 11 14 +ATOM 14 O UNL A 1 0.599 0.342 -3.674 0.00 0.00 -0.449 OA +ATOM 15 H UNL A 1 0.866 1.270 -3.728 0.00 0.00 +0.368 HD +ENDBRANCH 11 14 +ENDBRANCH 10 11 +ENDBRANCH 5 10 +ENDBRANCH 1 5 +BRANCH 3 16 +ATOM 16 C UNL A 1 2.119 -6.294 -3.310 0.00 0.00 +0.189 C +BRANCH 16 17 +ATOM 17 C UNL A 1 3.107 -6.913 -2.355 0.00 0.00 +0.513 C +ATOM 18 O UNL A 1 3.894 -6.211 -1.758 0.00 0.00 -0.457 OA +ATOM 19 N UNL A 1 3.115 -8.248 -2.166 0.00 0.00 -0.483 N +ATOM 20 C UNL A 1 4.076 -8.850 -1.238 0.00 0.00 +0.254 C +ATOM 21 C UNL A 1 2.164 -9.096 -2.888 0.00 0.00 +0.188 C +ENDBRANCH 16 17 +BRANCH 16 22 +ATOM 22 C UNL A 1 2.338 -6.866 -4.713 0.00 0.00 +0.018 C +BRANCH 22 23 +ATOM 23 C UNL A 1 1.232 -6.367 -5.645 0.00 0.00 +0.369 C +ATOM 24 C UNL A 1 1.380 -7.035 -7.014 0.00 0.00 +0.070 C +ATOM 25 C UNL A 1 -0.133 -6.720 -5.051 0.00 0.00 +0.062 C +BRANCH 23 26 +ATOM 26 S UNL A 1 1.364 -4.568 -5.832 0.00 0.00 -1.315 S +ATOM 27 C UNL A 1 0.001 -4.142 -6.951 0.00 0.00 +0.463 C +ENDBRANCH 23 26 +ENDBRANCH 22 23 +ENDBRANCH 16 22 +ENDBRANCH 3 16 +TORSDOF 12 diff --git a/unidock/example/paired_batch/def.pdbqt b/unidock/example/paired_batch/def.pdbqt new file mode 100644 index 0000000..b02f4af --- /dev/null +++ b/unidock/example/paired_batch/def.pdbqt @@ -0,0 +1,1614 @@ +ATOM 1 N SER 1 -24.102 41.977 73.078 0.00 0.00 -0.064 N +ATOM 2 HN1 SER 1 -24.590 41.366 73.732 1.00 0.00 0.275 HD +ATOM 3 HN2 SER 1 -23.447 42.598 73.553 1.00 0.00 0.275 HD +ATOM 4 HN3 SER 1 -23.433 41.464 72.503 1.00 0.00 0.275 HD +ATOM 5 CA SER 1 -25.081 42.730 72.252 0.00 0.00 0.297 C +ATOM 6 C SER 1 -25.984 41.779 71.491 0.00 0.00 0.251 C +ATOM 7 O SER 1 -25.679 40.596 71.347 0.00 0.00 -0.271 OA +ATOM 8 CB SER 1 -24.344 43.653 71.264 0.00 0.00 0.206 C +ATOM 9 OG SER 1 -22.931 43.477 71.322 0.00 0.00 -0.398 OA +ATOM 10 HOG SER 1 -22.520 44.064 70.698 0.00 0.00 0.209 HD +ATOM 11 N VAL 2 -27.131 42.299 71.074 0.00 0.00 -0.346 N +ATOM 12 HN VAL 2 -27.343 43.271 71.298 1.00 0.00 0.163 HD +ATOM 13 CA VAL 2 -28.098 41.525 70.306 0.00 0.00 0.180 C +ATOM 14 C VAL 2 -27.695 41.709 68.848 0.00 0.00 0.241 C +ATOM 15 O VAL 2 -27.508 42.843 68.378 0.00 0.00 -0.271 OA +ATOM 16 CB VAL 2 -29.539 42.012 70.547 0.00 0.00 0.009 C +ATOM 17 CG1 VAL 2 -30.527 41.270 69.644 0.00 0.00 0.012 C +ATOM 18 CG2 VAL 2 -29.927 41.869 72.019 0.00 0.00 0.012 C +ATOM 19 N LEU 3 -27.504 40.592 68.159 0.00 0.00 -0.346 N +ATOM 20 HN LEU 3 -27.655 39.691 68.612 1.00 0.00 0.163 HD +ATOM 21 CA LEU 3 -27.085 40.631 66.776 0.00 0.00 0.177 C +ATOM 22 C LEU 3 -28.257 40.349 65.838 0.00 0.00 0.241 C +ATOM 23 O LEU 3 -29.180 39.623 66.204 0.00 0.00 -0.271 OA +ATOM 24 CB LEU 3 -25.938 39.624 66.571 0.00 0.00 0.038 C +ATOM 25 CG LEU 3 -24.811 39.672 67.605 0.00 0.00 -0.020 C +ATOM 26 CD1 LEU 3 -23.918 38.434 67.499 0.00 0.00 0.009 C +ATOM 27 CD2 LEU 3 -24.009 40.969 67.483 0.00 0.00 0.009 C +ATOM 28 N GLN 4 -28.208 40.926 64.635 0.00 0.00 -0.346 N +ATOM 29 HN GLN 4 -27.401 41.507 64.408 1.00 0.00 0.163 HD +ATOM 30 CA GLN 4 -29.258 40.765 63.625 0.00 0.00 0.177 C +ATOM 31 C GLN 4 -29.280 39.412 62.913 0.00 0.00 0.241 C +ATOM 32 O GLN 4 -28.348 39.041 62.201 0.00 0.00 -0.271 OA +ATOM 33 CB GLN 4 -29.162 41.881 62.568 0.00 0.00 0.044 C +ATOM 34 CG GLN 4 -30.197 41.677 61.460 0.00 0.00 0.105 C +ATOM 35 CD GLN 4 -29.815 42.462 60.203 0.00 0.00 0.215 C +ATOM 36 OE1 GLN 4 -29.135 43.474 60.254 0.00 0.00 -0.274 OA +ATOM 37 NE2 GLN 4 -30.289 41.940 59.075 0.00 0.00 -0.370 N +ATOM 38 1HE2 GLN 4 -30.857 41.094 59.032 1.00 0.00 0.159 HD +ATOM 39 2HE2 GLN 4 -30.034 42.463 58.237 1.00 0.00 0.159 HD +ATOM 40 N VAL 5 -30.392 38.710 63.065 0.00 0.00 -0.346 N +ATOM 41 HN VAL 5 -31.145 39.096 63.634 1.00 0.00 0.163 HD +ATOM 42 CA VAL 5 -30.574 37.408 62.447 0.00 0.00 0.180 C +ATOM 43 C VAL 5 -30.984 37.608 60.992 0.00 0.00 0.241 C +ATOM 44 O VAL 5 -31.885 38.399 60.691 0.00 0.00 -0.271 OA +ATOM 45 CB VAL 5 -31.635 36.605 63.223 0.00 0.00 0.009 C +ATOM 46 CG1 VAL 5 -31.823 35.214 62.614 0.00 0.00 0.012 C +ATOM 47 CG2 VAL 5 -31.274 36.511 64.707 0.00 0.00 0.012 C +ATOM 48 N LEU 6 -30.280 36.934 60.089 0.00 0.00 -0.346 N +ATOM 49 HN LEU 6 -29.521 36.330 60.406 1.00 0.00 0.163 HD +ATOM 50 CA LEU 6 -30.557 37.029 58.651 0.00 0.00 0.177 C +ATOM 51 C LEU 6 -31.753 36.153 58.304 0.00 0.00 0.241 C +ATOM 52 O LEU 6 -31.943 35.094 58.897 0.00 0.00 -0.271 OA +ATOM 53 CB LEU 6 -29.330 36.589 57.831 0.00 0.00 0.038 C +ATOM 54 CG LEU 6 -28.010 37.281 58.174 0.00 0.00 -0.020 C +ATOM 55 CD1 LEU 6 -26.825 36.543 57.549 0.00 0.00 0.009 C +ATOM 56 CD2 LEU 6 -28.043 38.757 57.771 0.00 0.00 0.009 C +ATOM 57 N HIS 7 -32.563 36.594 57.352 0.00 0.00 -0.346 N +ATOM 58 HN HIS 7 -32.360 37.480 56.889 1.00 0.00 0.163 HD +ATOM 59 CA HIS 7 -33.742 35.830 56.956 0.00 0.00 0.182 C +ATOM 60 C HIS 7 -33.720 35.554 55.461 0.00 0.00 0.241 C +ATOM 61 O HIS 7 -33.075 36.282 54.693 0.00 0.00 -0.271 OA +ATOM 62 CB HIS 7 -35.031 36.607 57.283 0.00 0.00 0.093 C +ATOM 63 CG HIS 7 -35.126 37.063 58.719 0.00 0.00 0.028 A +ATOM 64 ND1 HIS 7 -35.950 38.098 59.125 0.00 0.00 -0.354 N +ATOM 65 HD1 HIS 7 -36.561 38.646 58.520 1.00 0.00 0.166 HD +ATOM 66 CD2 HIS 7 -34.493 36.613 59.841 0.00 0.00 0.114 A +ATOM 67 CE1 HIS 7 -35.811 38.256 60.433 0.00 0.00 0.180 A +ATOM 68 NE2 HIS 7 -34.906 37.335 60.874 0.00 0.00 -0.360 N +ATOM 69 HE2 HIS 7 -34.598 37.221 61.840 1.00 0.00 0.166 HD +ATOM 70 N ILE 8 -34.416 34.502 55.043 0.00 0.00 -0.346 N +ATOM 71 HN ILE 8 -34.902 33.912 55.718 1.00 0.00 0.163 HD +ATOM 72 CA ILE 8 -34.486 34.190 53.623 0.00 0.00 0.180 C +ATOM 73 C ILE 8 -35.065 35.425 52.913 0.00 0.00 0.243 C +ATOM 74 O ILE 8 -35.855 36.169 53.508 0.00 0.00 -0.271 OA +ATOM 75 CB ILE 8 -35.333 32.933 53.350 0.00 0.00 0.013 C +ATOM 76 CG1 ILE 8 -36.801 33.173 53.710 0.00 0.00 0.002 C +ATOM 77 CG2 ILE 8 -34.756 31.715 54.075 0.00 0.00 0.012 C +ATOM 78 CD1 ILE 8 -37.688 32.049 53.170 0.00 0.00 0.005 C +ATOM 79 N PRO 9 -34.646 35.685 51.661 0.00 0.00 -0.337 N +ATOM 80 CA PRO 9 -33.714 34.907 50.848 0.00 0.00 0.179 C +ATOM 81 C PRO 9 -32.258 35.444 50.895 0.00 0.00 0.241 C +ATOM 82 O PRO 9 -31.530 35.354 49.904 0.00 0.00 -0.271 OA +ATOM 83 CB PRO 9 -33.966 35.181 49.462 0.00 0.00 0.037 C +ATOM 84 CG PRO 9 -34.712 36.506 49.458 0.00 0.00 0.022 C +ATOM 85 CD PRO 9 -35.190 36.775 50.875 0.00 0.00 0.127 C +ATOM 86 N ASP 10 -31.857 35.994 52.042 0.00 0.00 -0.346 N +ATOM 87 HN ASP 10 -32.519 36.043 52.817 1.00 0.00 0.163 HD +ATOM 88 CA ASP 10 -30.508 36.531 52.239 0.00 0.00 0.186 C +ATOM 89 C ASP 10 -29.472 35.483 51.851 0.00 0.00 0.241 C +ATOM 90 O ASP 10 -29.290 34.486 52.566 0.00 0.00 -0.271 OA +ATOM 91 CB ASP 10 -30.307 36.923 53.715 0.00 0.00 0.147 C +ATOM 92 CG ASP 10 -29.041 37.732 54.002 0.00 0.00 0.175 C +ATOM 93 OD1 ASP 10 -29.045 38.649 54.837 0.00 0.00 -0.648 OA +ATOM 94 OD2 ASP 10 -28.004 37.384 53.318 0.00 0.00 -0.648 OA +ATOM 95 N GLU 11 -28.739 35.763 50.769 0.00 0.00 -0.346 N +ATOM 96 HN GLU 11 -28.894 36.647 50.284 1.00 0.00 0.163 HD +ATOM 97 CA GLU 11 -27.720 34.843 50.256 0.00 0.00 0.177 C +ATOM 98 C GLU 11 -26.624 34.528 51.261 0.00 0.00 0.241 C +ATOM 99 O GLU 11 -26.019 33.472 51.179 0.00 0.00 -0.271 OA +ATOM 100 CB GLU 11 -27.139 35.316 48.910 0.00 0.00 0.045 C +ATOM 101 CG GLU 11 -28.177 35.195 47.793 0.00 0.00 0.116 C +ATOM 102 CD GLU 11 -27.563 35.542 46.435 0.00 0.00 0.172 C +ATOM 103 OE1 GLU 11 -26.456 36.096 46.378 0.00 0.00 -0.648 OA +ATOM 104 OE2 GLU 11 -28.279 35.215 45.413 0.00 0.00 -0.648 OA +ATOM 105 N ARG 12 -26.426 35.392 52.252 0.00 0.00 -0.346 N +ATOM 106 HN ARG 12 -26.991 36.240 52.303 1.00 0.00 0.163 HD +ATOM 107 CA ARG 12 -25.404 35.138 53.272 0.00 0.00 0.176 C +ATOM 108 C ARG 12 -25.693 33.921 54.148 0.00 0.00 0.241 C +ATOM 109 O ARG 12 -24.784 33.395 54.808 0.00 0.00 -0.271 OA +ATOM 110 CB ARG 12 -25.170 36.368 54.169 0.00 0.00 0.036 C +ATOM 111 CG ARG 12 -24.369 37.441 53.430 0.00 0.00 0.023 C +ATOM 112 CD ARG 12 -24.289 38.729 54.252 0.00 0.00 0.138 C +ATOM 113 NE ARG 12 -25.649 39.253 54.507 0.00 0.00 -0.227 N +ATOM 114 HE ARG 12 -26.441 38.641 54.310 1.00 0.00 0.177 HD +ATOM 115 CZ ARG 12 -25.908 40.489 54.984 0.00 0.00 0.665 C +ATOM 116 NH1 ARG 12 -24.883 41.309 55.251 0.00 0.00 -0.235 N +ATOM 117 1HH1 ARG 12 -23.922 41.004 55.096 1.00 0.00 0.174 HD +ATOM 118 2HH1 ARG 12 -25.079 42.243 55.611 1.00 0.00 0.174 HD +ATOM 119 NH2 ARG 12 -27.170 40.889 55.188 0.00 0.00 -0.235 N +ATOM 120 1HH2 ARG 12 -27.951 40.265 54.985 1.00 0.00 0.174 HD +ATOM 121 2HH2 ARG 12 -27.366 41.823 55.548 1.00 0.00 0.174 HD +ATOM 122 N LEU 13 -26.957 33.495 54.182 0.00 0.00 -0.346 N +ATOM 123 HN LEU 13 -27.666 33.999 53.649 1.00 0.00 0.163 HD +ATOM 124 CA LEU 13 -27.353 32.322 54.966 0.00 0.00 0.177 C +ATOM 125 C LEU 13 -26.893 31.067 54.237 0.00 0.00 0.241 C +ATOM 126 O LEU 13 -26.939 29.963 54.777 0.00 0.00 -0.271 OA +ATOM 127 CB LEU 13 -28.882 32.269 55.144 0.00 0.00 0.038 C +ATOM 128 CG LEU 13 -29.476 33.264 56.143 0.00 0.00 -0.020 C +ATOM 129 CD1 LEU 13 -30.973 33.459 55.899 0.00 0.00 0.009 C +ATOM 130 CD2 LEU 13 -29.181 32.837 57.583 0.00 0.00 0.009 C +ATOM 131 N ARG 14 -26.475 31.231 52.994 0.00 0.00 -0.346 N +ATOM 132 HN ARG 14 -26.482 32.163 52.580 1.00 0.00 0.163 HD +ATOM 133 CA ARG 14 -26.003 30.097 52.205 0.00 0.00 0.176 C +ATOM 134 C ARG 14 -24.455 29.969 52.200 0.00 0.00 0.241 C +ATOM 135 O ARG 14 -23.887 29.124 51.496 0.00 0.00 -0.271 OA +ATOM 136 CB ARG 14 -26.564 30.215 50.776 0.00 0.00 0.036 C +ATOM 137 CG ARG 14 -28.031 30.650 50.797 0.00 0.00 0.023 C +ATOM 138 CD ARG 14 -28.958 29.466 50.516 0.00 0.00 0.138 C +ATOM 139 NE ARG 14 -28.875 28.485 51.621 0.00 0.00 -0.227 N +ATOM 140 HE ARG 14 -28.007 28.438 52.154 1.00 0.00 0.177 HD +ATOM 141 CZ ARG 14 -29.877 27.649 51.967 0.00 0.00 0.665 C +ATOM 142 NH1 ARG 14 -31.027 27.693 51.280 0.00 0.00 -0.235 N +ATOM 143 1HH1 ARG 14 -31.143 28.349 50.507 1.00 0.00 0.174 HD +ATOM 144 2HH1 ARG 14 -31.784 27.061 51.541 1.00 0.00 0.174 HD +ATOM 145 NH2 ARG 14 -29.724 26.788 52.982 0.00 0.00 -0.235 N +ATOM 146 1HH2 ARG 14 -28.849 26.755 53.505 1.00 0.00 0.174 HD +ATOM 147 2HH2 ARG 14 -30.481 26.156 53.243 1.00 0.00 0.174 HD +ATOM 148 N LYS 15 -23.803 30.754 53.054 0.00 0.00 -0.346 N +ATOM 149 HN LYS 15 -24.337 31.380 53.657 1.00 0.00 0.163 HD +ATOM 150 CA LYS 15 -22.352 30.747 53.154 0.00 0.00 0.176 C +ATOM 151 C LYS 15 -21.798 29.695 54.099 0.00 0.00 0.241 C +ATOM 152 O LYS 15 -22.258 29.578 55.239 0.00 0.00 -0.271 OA +ATOM 153 CB LYS 15 -21.861 32.149 53.560 0.00 0.00 0.035 C +ATOM 154 CG LYS 15 -22.056 33.150 52.420 0.00 0.00 0.004 C +ATOM 155 CD LYS 15 -21.521 34.531 52.806 0.00 0.00 0.027 C +ATOM 156 CE LYS 15 -20.049 34.455 53.215 0.00 0.00 0.229 C +ATOM 157 NZ LYS 15 -19.624 35.714 53.848 0.00 0.00 -0.079 N +ATOM 158 HZ1 LYS 15 -18.642 35.663 54.121 1.00 0.00 0.274 HD +ATOM 159 HZ2 LYS 15 -20.224 35.964 54.634 1.00 0.00 0.274 HD +ATOM 160 HZ3 LYS 15 -19.811 36.520 53.252 1.00 0.00 0.274 HD +ATOM 161 N VAL 16 -20.851 28.892 53.603 0.00 0.00 -0.346 N +ATOM 162 HN VAL 16 -20.557 29.023 52.635 1.00 0.00 0.163 HD +ATOM 163 CA VAL 16 -20.216 27.829 54.394 0.00 0.00 0.180 C +ATOM 164 C VAL 16 -19.156 28.427 55.310 0.00 0.00 0.241 C +ATOM 165 O VAL 16 -18.300 29.206 54.871 0.00 0.00 -0.271 OA +ATOM 166 CB VAL 16 -19.586 26.739 53.506 0.00 0.00 0.009 C +ATOM 167 CG1 VAL 16 -19.077 25.570 54.352 0.00 0.00 0.012 C +ATOM 168 CG2 VAL 16 -20.576 26.258 52.444 0.00 0.00 0.012 C +ATOM 169 N ALA 17 -19.241 28.075 56.590 0.00 0.00 -0.346 N +ATOM 170 HN ALA 17 -19.975 27.423 56.867 1.00 0.00 0.163 HD +ATOM 171 CA ALA 17 -18.333 28.577 57.618 0.00 0.00 0.172 C +ATOM 172 C ALA 17 -16.979 27.848 57.725 0.00 0.00 0.240 C +ATOM 173 O ALA 17 -16.875 26.636 57.523 0.00 0.00 -0.271 OA +ATOM 174 CB ALA 17 -19.051 28.577 58.980 0.00 0.00 0.042 C +ATOM 175 N LYS 18 -15.936 28.612 58.039 0.00 0.00 -0.346 N +ATOM 176 HN LYS 18 -16.075 29.612 58.186 1.00 0.00 0.163 HD +ATOM 177 CA LYS 18 -14.602 28.050 58.177 0.00 0.00 0.176 C +ATOM 178 C LYS 18 -14.355 27.744 59.643 0.00 0.00 0.243 C +ATOM 179 O LYS 18 -14.963 28.353 60.517 0.00 0.00 -0.271 OA +ATOM 180 CB LYS 18 -13.552 29.017 57.599 0.00 0.00 0.035 C +ATOM 181 CG LYS 18 -13.658 30.396 58.252 0.00 0.00 0.004 C +ATOM 182 CD LYS 18 -12.834 30.459 59.540 0.00 0.00 0.027 C +ATOM 183 CE LYS 18 -12.810 31.879 60.107 0.00 0.00 0.229 C +ATOM 184 NZ LYS 18 -12.057 31.917 61.371 0.00 0.00 -0.079 N +ATOM 185 HZ1 LYS 18 -12.041 32.864 61.749 1.00 0.00 0.274 HD +ATOM 186 HZ2 LYS 18 -11.117 31.536 61.264 1.00 0.00 0.274 HD +ATOM 187 HZ3 LYS 18 -12.418 31.245 62.048 1.00 0.00 0.274 HD +ATOM 188 N PRO 19 -13.493 26.763 59.937 0.00 0.00 -0.337 N +ATOM 189 CA PRO 19 -13.184 26.395 61.317 0.00 0.00 0.179 C +ATOM 190 C PRO 19 -12.671 27.583 62.124 0.00 0.00 0.241 C +ATOM 191 O PRO 19 -12.174 28.552 61.561 0.00 0.00 -0.271 OA +ATOM 192 CB PRO 19 -12.560 25.090 61.309 0.00 0.00 0.037 C +ATOM 193 CG PRO 19 -12.050 24.906 59.889 0.00 0.00 0.022 C +ATOM 194 CD PRO 19 -12.713 25.959 59.016 0.00 0.00 0.127 C +ATOM 195 N VAL 20 -12.833 27.512 63.443 0.00 0.00 -0.346 N +ATOM 196 HN VAL 20 -13.325 26.707 63.831 1.00 0.00 0.163 HD +ATOM 197 CA VAL 20 -12.338 28.535 64.359 0.00 0.00 0.180 C +ATOM 198 C VAL 20 -10.879 28.110 64.541 0.00 0.00 0.241 C +ATOM 199 O VAL 20 -10.606 26.917 64.732 0.00 0.00 -0.271 OA +ATOM 200 CB VAL 20 -13.061 28.465 65.717 0.00 0.00 0.009 C +ATOM 201 CG1 VAL 20 -12.251 29.169 66.807 0.00 0.00 0.012 C +ATOM 202 CG2 VAL 20 -14.471 29.051 65.617 0.00 0.00 0.012 C +ATOM 203 N GLU 21 -9.940 29.046 64.409 0.00 0.00 -0.346 N +ATOM 204 HN GLU 21 -10.205 30.009 64.201 1.00 0.00 0.163 HD +ATOM 205 CA GLU 21 -8.532 28.692 64.563 0.00 0.00 0.177 C +ATOM 206 C GLU 21 -8.175 28.274 65.967 0.00 0.00 0.241 C +ATOM 207 O GLU 21 -7.717 27.152 66.176 0.00 0.00 -0.271 OA +ATOM 208 CB GLU 21 -7.612 29.811 64.040 0.00 0.00 0.045 C +ATOM 209 CG GLU 21 -7.490 29.752 62.516 0.00 0.00 0.116 C +ATOM 210 CD GLU 21 -7.103 28.347 62.050 0.00 0.00 0.172 C +ATOM 211 OE1 GLU 21 -6.207 27.723 62.639 0.00 0.00 -0.648 OA +ATOM 212 OE2 GLU 21 -7.770 27.904 61.039 0.00 0.00 -0.648 OA +ATOM 213 N GLU 22 -8.407 29.156 66.927 0.00 0.00 -0.346 N +ATOM 214 HN GLU 22 -8.791 30.069 66.681 1.00 0.00 0.163 HD +ATOM 215 CA GLU 22 -8.129 28.857 68.323 0.00 0.00 0.177 C +ATOM 216 C GLU 22 -9.146 29.642 69.129 0.00 0.00 0.241 C +ATOM 217 O GLU 22 -9.444 30.788 68.798 0.00 0.00 -0.271 OA +ATOM 218 CB GLU 22 -6.700 29.271 68.721 0.00 0.00 0.045 C +ATOM 219 CG GLU 22 -5.666 28.312 68.127 0.00 0.00 0.116 C +ATOM 220 CD GLU 22 -5.861 26.893 68.666 0.00 0.00 0.172 C +ATOM 221 OE1 GLU 22 -6.218 25.983 67.903 0.00 0.00 -0.648 OA +ATOM 222 OE2 GLU 22 -5.626 26.752 69.926 0.00 0.00 -0.648 OA +ATOM 223 N VAL 23 -9.707 29.009 70.157 0.00 0.00 -0.346 N +ATOM 224 HN VAL 23 -9.428 28.049 70.358 1.00 0.00 0.163 HD +ATOM 225 CA VAL 23 -10.709 29.648 71.005 0.00 0.00 0.180 C +ATOM 226 C VAL 23 -10.077 30.718 71.889 0.00 0.00 0.241 C +ATOM 227 O VAL 23 -9.470 30.418 72.915 0.00 0.00 -0.271 OA +ATOM 228 CB VAL 23 -11.458 28.629 71.883 0.00 0.00 0.009 C +ATOM 229 CG1 VAL 23 -12.601 29.299 72.648 0.00 0.00 0.012 C +ATOM 230 CG2 VAL 23 -11.972 27.456 71.045 0.00 0.00 0.012 C +ATOM 231 N ASN 24 -10.246 31.968 71.485 0.00 0.00 -0.346 N +ATOM 232 HN ASN 24 -10.788 32.143 70.639 1.00 0.00 0.163 HD +ATOM 233 CA ASN 24 -9.686 33.098 72.206 0.00 0.00 0.185 C +ATOM 234 C ASN 24 -10.787 34.022 72.722 0.00 0.00 0.241 C +ATOM 235 O ASN 24 -11.975 33.741 72.546 0.00 0.00 -0.271 OA +ATOM 236 CB ASN 24 -8.721 33.860 71.278 0.00 0.00 0.137 C +ATOM 237 CG ASN 24 -9.398 34.209 69.951 0.00 0.00 0.217 C +ATOM 238 OD1 ASN 24 -10.510 34.709 69.905 0.00 0.00 -0.274 OA +ATOM 239 ND2 ASN 24 -8.667 33.919 68.879 0.00 0.00 -0.370 N +ATOM 240 1HD2 ASN 24 -9.118 34.152 67.994 1.00 0.00 0.159 HD +ATOM 241 2HD2 ASN 24 -7.737 33.501 68.917 1.00 0.00 0.159 HD +ATOM 242 N ALA 25 -10.384 35.137 73.327 0.00 0.00 -0.346 N +ATOM 243 HN ALA 25 -9.382 35.316 73.399 1.00 0.00 0.163 HD +ATOM 244 CA ALA 25 -11.309 36.116 73.892 0.00 0.00 0.172 C +ATOM 245 C ALA 25 -12.304 36.710 72.906 0.00 0.00 0.240 C +ATOM 246 O ALA 25 -13.375 37.171 73.313 0.00 0.00 -0.271 OA +ATOM 247 CB ALA 25 -10.525 37.248 74.581 0.00 0.00 0.042 C +ATOM 248 N GLU 26 -11.933 36.754 71.631 0.00 0.00 -0.346 N +ATOM 249 HN GLU 26 -11.009 36.410 71.369 1.00 0.00 0.163 HD +ATOM 250 CA GLU 26 -12.816 37.283 70.595 0.00 0.00 0.177 C +ATOM 251 C GLU 26 -13.887 36.229 70.264 0.00 0.00 0.241 C +ATOM 252 O GLU 26 -15.060 36.557 70.096 0.00 0.00 -0.271 OA +ATOM 253 CB GLU 26 -11.993 37.647 69.346 0.00 0.00 0.045 C +ATOM 254 CG GLU 26 -12.616 38.832 68.604 0.00 0.00 0.116 C +ATOM 255 CD GLU 26 -13.543 38.352 67.486 0.00 0.00 0.172 C +ATOM 256 OE1 GLU 26 -13.095 37.646 66.570 0.00 0.00 -0.648 OA +ATOM 257 OE2 GLU 26 -14.769 38.738 67.590 0.00 0.00 -0.648 OA +ATOM 258 N ILE 27 -13.474 34.962 70.211 0.00 0.00 -0.346 N +ATOM 259 HN ILE 27 -12.487 34.763 70.374 1.00 0.00 0.163 HD +ATOM 260 CA ILE 27 -14.378 33.843 69.929 0.00 0.00 0.180 C +ATOM 261 C ILE 27 -15.395 33.759 71.069 0.00 0.00 0.241 C +ATOM 262 O ILE 27 -16.601 33.641 70.845 0.00 0.00 -0.271 OA +ATOM 263 CB ILE 27 -13.602 32.517 69.821 0.00 0.00 0.013 C +ATOM 264 CG1 ILE 27 -12.597 32.563 68.668 0.00 0.00 0.002 C +ATOM 265 CG2 ILE 27 -14.560 31.330 69.700 0.00 0.00 0.012 C +ATOM 266 CD1 ILE 27 -13.279 32.977 67.362 0.00 0.00 0.005 C +ATOM 267 N GLN 28 -14.892 33.890 72.291 0.00 0.00 -0.346 N +ATOM 268 HN GLN 28 -13.887 34.025 72.398 1.00 0.00 0.163 HD +ATOM 269 CA GLN 28 -15.722 33.848 73.477 0.00 0.00 0.177 C +ATOM 270 C GLN 28 -16.700 35.022 73.536 0.00 0.00 0.241 C +ATOM 271 O GLN 28 -17.781 34.888 74.100 0.00 0.00 -0.271 OA +ATOM 272 CB GLN 28 -14.845 33.745 74.739 0.00 0.00 0.044 C +ATOM 273 CG GLN 28 -14.011 32.462 74.724 0.00 0.00 0.105 C +ATOM 274 CD GLN 28 -13.232 32.300 76.030 0.00 0.00 0.215 C +ATOM 275 OE1 GLN 28 -13.620 32.787 77.080 0.00 0.00 -0.274 OA +ATOM 276 NE2 GLN 28 -12.113 31.591 75.908 0.00 0.00 -0.370 N +ATOM 277 1HE2 GLN 28 -11.593 31.483 76.779 1.00 0.00 0.159 HD +ATOM 278 2HE2 GLN 28 -11.789 31.184 75.031 1.00 0.00 0.159 HD +ATOM 279 N ARG 29 -16.364 36.139 72.894 0.00 0.00 -0.346 N +ATOM 280 HN ARG 29 -15.467 36.190 72.412 1.00 0.00 0.163 HD +ATOM 281 CA ARG 29 -17.263 37.295 72.869 0.00 0.00 0.176 C +ATOM 282 C ARG 29 -18.379 37.041 71.847 0.00 0.00 0.241 C +ATOM 283 O ARG 29 -19.509 37.517 72.007 0.00 0.00 -0.271 OA +ATOM 284 CB ARG 29 -16.500 38.586 72.518 0.00 0.00 0.036 C +ATOM 285 CG ARG 29 -15.383 38.855 73.528 0.00 0.00 0.023 C +ATOM 286 CD ARG 29 -14.625 40.137 73.180 0.00 0.00 0.138 C +ATOM 287 NE ARG 29 -13.551 40.376 74.170 0.00 0.00 -0.227 N +ATOM 288 HE ARG 29 -13.441 39.702 74.928 1.00 0.00 0.177 HD +ATOM 289 CZ ARG 29 -12.708 41.429 74.133 0.00 0.00 0.665 C +ATOM 290 NH1 ARG 29 -12.834 42.328 73.147 0.00 0.00 -0.235 N +ATOM 291 1HH1 ARG 29 -13.556 42.218 72.435 1.00 0.00 0.174 HD +ATOM 292 2HH1 ARG 29 -12.197 43.124 73.119 1.00 0.00 0.174 HD +ATOM 293 NH2 ARG 29 -11.759 41.574 75.068 0.00 0.00 -0.235 N +ATOM 294 1HH2 ARG 29 -11.663 40.890 75.818 1.00 0.00 0.174 HD +ATOM 295 2HH2 ARG 29 -11.122 42.370 75.040 1.00 0.00 0.174 HD +ATOM 296 N ILE 30 -18.049 36.303 70.787 0.00 0.00 -0.346 N +ATOM 297 HN ILE 30 -17.091 35.964 70.697 1.00 0.00 0.163 HD +ATOM 298 CA ILE 30 -19.021 35.967 69.752 0.00 0.00 0.180 C +ATOM 299 C ILE 30 -20.023 34.977 70.359 0.00 0.00 0.241 C +ATOM 300 O ILE 30 -21.234 35.048 70.088 0.00 0.00 -0.271 OA +ATOM 301 CB ILE 30 -18.337 35.382 68.503 0.00 0.00 0.013 C +ATOM 302 CG1 ILE 30 -17.384 36.400 67.872 0.00 0.00 0.002 C +ATOM 303 CG2 ILE 30 -19.372 34.869 67.500 0.00 0.00 0.012 C +ATOM 304 CD1 ILE 30 -16.741 35.836 66.603 0.00 0.00 0.005 C +ATOM 305 N VAL 31 -19.529 34.110 71.239 0.00 0.00 -0.346 N +ATOM 306 HN VAL 31 -18.533 34.139 71.459 1.00 0.00 0.163 HD +ATOM 307 CA VAL 31 -20.371 33.122 71.896 0.00 0.00 0.180 C +ATOM 308 C VAL 31 -21.436 33.779 72.788 0.00 0.00 0.241 C +ATOM 309 O VAL 31 -22.590 33.340 72.823 0.00 0.00 -0.271 OA +ATOM 310 CB VAL 31 -19.511 32.079 72.634 0.00 0.00 0.009 C +ATOM 311 CG1 VAL 31 -20.337 31.331 73.683 0.00 0.00 0.012 C +ATOM 312 CG2 VAL 31 -18.866 31.104 71.647 0.00 0.00 0.012 C +ATOM 313 N ASP 32 -21.075 34.886 73.430 0.00 0.00 -0.345 N +ATOM 314 HN ASP 32 -20.124 35.236 73.318 1.00 0.00 0.163 HD +ATOM 315 CA ASP 32 -22.005 35.616 74.293 0.00 0.00 0.186 C +ATOM 316 C ASP 32 -23.082 36.367 73.516 0.00 0.00 0.241 C +ATOM 317 O ASP 32 -24.257 36.323 73.880 0.00 0.00 -0.271 OA +ATOM 318 CB ASP 32 -21.247 36.612 75.190 0.00 0.00 0.147 C +ATOM 319 CG ASP 32 -20.376 35.973 76.273 0.00 0.00 0.175 C +ATOM 320 OD1 ASP 32 -20.338 34.742 76.419 0.00 0.00 -0.648 OA +ATOM 321 OD2 ASP 32 -19.707 36.806 76.997 0.00 0.00 -0.648 OA +ATOM 322 N ASP 33 -22.676 37.102 72.487 0.00 0.00 -0.345 N +ATOM 323 HN ASP 33 -21.681 37.147 72.266 1.00 0.00 0.163 HD +ATOM 324 CA ASP 33 -23.626 37.846 71.666 0.00 0.00 0.186 C +ATOM 325 C ASP 33 -24.648 36.880 71.058 0.00 0.00 0.241 C +ATOM 326 O ASP 33 -25.841 37.196 70.933 0.00 0.00 -0.271 OA +ATOM 327 CB ASP 33 -22.877 38.574 70.534 0.00 0.00 0.147 C +ATOM 328 CG ASP 33 -21.910 39.666 70.997 0.00 0.00 0.175 C +ATOM 329 OD1 ASP 33 -21.638 39.811 72.198 0.00 0.00 -0.648 OA +ATOM 330 OD2 ASP 33 -21.421 40.397 70.053 0.00 0.00 -0.648 OA +ATOM 331 N MET 34 -24.146 35.709 70.666 0.00 0.00 -0.346 N +ATOM 332 HN MET 34 -23.147 35.545 70.787 1.00 0.00 0.163 HD +ATOM 333 CA MET 34 -24.955 34.653 70.074 0.00 0.00 0.177 C +ATOM 334 C MET 34 -25.992 34.140 71.075 0.00 0.00 0.241 C +ATOM 335 O MET 34 -27.160 34.008 70.735 0.00 0.00 -0.271 OA +ATOM 336 CB MET 34 -24.057 33.504 69.579 0.00 0.00 0.045 C +ATOM 337 CG MET 34 -23.537 33.784 68.167 0.00 0.00 0.076 C +ATOM 338 SD MET 34 -22.504 32.401 67.600 0.00 0.00 -0.173 SA +ATOM 339 CE MET 34 -23.765 31.101 67.459 0.00 0.00 0.089 C +ATOM 340 N PHE 35 -25.560 33.839 72.295 0.00 0.00 -0.346 N +ATOM 341 HN PHE 35 -24.566 33.932 72.503 1.00 0.00 0.163 HD +ATOM 342 CA PHE 35 -26.464 33.378 73.350 0.00 0.00 0.180 C +ATOM 343 C PHE 35 -27.525 34.445 73.657 0.00 0.00 0.241 C +ATOM 344 O PHE 35 -28.720 34.150 73.749 0.00 0.00 -0.271 OA +ATOM 345 CB PHE 35 -25.662 33.099 74.635 0.00 0.00 0.073 C +ATOM 346 CG PHE 35 -25.254 31.644 74.825 0.00 0.00 -0.056 A +ATOM 347 CD1 PHE 35 -23.917 31.313 75.147 0.00 0.00 0.007 A +ATOM 348 CD2 PHE 35 -26.211 30.614 74.673 0.00 0.00 0.007 A +ATOM 349 CE1 PHE 35 -23.542 29.963 75.317 0.00 0.00 0.001 A +ATOM 350 CE2 PHE 35 -25.835 29.265 74.844 0.00 0.00 0.001 A +ATOM 351 CZ PHE 35 -24.500 28.939 75.167 0.00 0.00 0.000 A +ATOM 352 N GLU 36 -27.062 35.688 73.778 0.00 0.00 -0.346 N +ATOM 353 HN GLU 36 -26.058 35.827 73.666 1.00 0.00 0.163 HD +ATOM 354 CA GLU 36 -27.874 36.866 74.057 0.00 0.00 0.177 C +ATOM 355 C GLU 36 -28.947 37.091 72.982 0.00 0.00 0.241 C +ATOM 356 O GLU 36 -30.068 37.528 73.272 0.00 0.00 -0.271 OA +ATOM 357 CB GLU 36 -26.914 38.068 74.129 0.00 0.00 0.045 C +ATOM 358 CG GLU 36 -27.676 39.361 74.428 0.00 0.00 0.116 C +ATOM 359 CD GLU 36 -26.711 40.512 74.720 0.00 0.00 0.172 C +ATOM 360 OE1 GLU 36 -25.496 40.289 74.825 0.00 0.00 -0.648 OA +ATOM 361 OE2 GLU 36 -27.264 41.671 74.837 0.00 0.00 -0.648 OA +ATOM 362 N THR 37 -28.578 36.825 71.734 0.00 0.00 -0.344 N +ATOM 363 HN THR 37 -27.622 36.514 71.560 1.00 0.00 0.163 HD +ATOM 364 CA THR 37 -29.487 36.960 70.604 0.00 0.00 0.205 C +ATOM 365 C THR 37 -30.464 35.767 70.616 0.00 0.00 0.243 C +ATOM 366 O THR 37 -31.647 35.920 70.318 0.00 0.00 -0.271 OA +ATOM 367 CB THR 37 -28.694 36.993 69.284 0.00 0.00 0.146 C +ATOM 368 OG1 THR 37 -27.807 38.097 69.439 0.00 0.00 -0.393 OA +ATOM 369 CG2 THR 37 -29.566 37.380 68.087 0.00 0.00 0.042 C +ATOM 370 HOG THR 37 -27.279 38.182 68.654 0.00 0.00 0.210 HD +ATOM 371 N MET 38 -29.957 34.593 70.989 0.00 0.00 -0.346 N +ATOM 372 HN MET 38 -28.968 34.548 71.234 1.00 0.00 0.163 HD +ATOM 373 CA MET 38 -30.749 33.364 71.065 0.00 0.00 0.177 C +ATOM 374 C MET 38 -31.869 33.506 72.100 0.00 0.00 0.241 C +ATOM 375 O MET 38 -33.039 33.210 71.826 0.00 0.00 -0.271 OA +ATOM 376 CB MET 38 -29.853 32.167 71.436 0.00 0.00 0.045 C +ATOM 377 CG MET 38 -30.663 30.871 71.485 0.00 0.00 0.076 C +ATOM 378 SD MET 38 -29.655 29.534 72.189 0.00 0.00 -0.173 SA +ATOM 379 CE MET 38 -30.081 29.708 73.947 0.00 0.00 0.089 C +ATOM 380 N TYR 39 -31.492 33.952 73.291 0.00 0.00 -0.346 N +ATOM 381 HN TYR 39 -30.506 34.159 73.454 1.00 0.00 0.163 HD +ATOM 382 CA TYR 39 -32.441 34.154 74.367 0.00 0.00 0.180 C +ATOM 383 C TYR 39 -33.429 35.280 74.019 0.00 0.00 0.241 C +ATOM 384 O TYR 39 -34.623 35.160 74.267 0.00 0.00 -0.271 OA +ATOM 385 CB TYR 39 -31.683 34.472 75.670 0.00 0.00 0.073 C +ATOM 386 CG TYR 39 -30.871 33.311 76.227 0.00 0.00 -0.056 A +ATOM 387 CD1 TYR 39 -29.607 33.540 76.817 0.00 0.00 0.010 A +ATOM 388 CD2 TYR 39 -31.377 31.993 76.150 0.00 0.00 0.010 A +ATOM 389 CE1 TYR 39 -28.856 32.461 77.329 0.00 0.00 0.037 A +ATOM 390 CE2 TYR 39 -30.627 30.913 76.662 0.00 0.00 0.037 A +ATOM 391 CZ TYR 39 -29.366 31.146 77.253 0.00 0.00 0.065 A +ATOM 392 OH TYR 39 -28.643 30.098 77.748 0.00 0.00 -0.361 OA +ATOM 393 HOH TYR 39 -27.827 30.427 78.107 0.00 0.00 0.217 HD +ATOM 394 N ALA 40 -32.941 36.336 73.380 0.00 0.00 -0.346 N +ATOM 395 HN ALA 40 -31.948 36.366 73.149 1.00 0.00 0.163 HD +ATOM 396 CA ALA 40 -33.796 37.453 73.002 0.00 0.00 0.172 C +ATOM 397 C ALA 40 -34.875 37.053 72.008 0.00 0.00 0.240 C +ATOM 398 O ALA 40 -36.012 37.534 72.084 0.00 0.00 -0.271 OA +ATOM 399 CB ALA 40 -32.956 38.598 72.406 0.00 0.00 0.042 C +ATOM 400 N GLU 41 -34.512 36.199 71.057 0.00 0.00 -0.346 N +ATOM 401 HN GLU 41 -33.558 35.839 71.047 1.00 0.00 0.163 HD +ATOM 402 CA GLU 41 -35.449 35.766 70.027 0.00 0.00 0.177 C +ATOM 403 C GLU 41 -36.228 34.525 70.410 0.00 0.00 0.241 C +ATOM 404 O GLU 41 -36.950 33.965 69.591 0.00 0.00 -0.271 OA +ATOM 405 CB GLU 41 -34.721 35.541 68.689 0.00 0.00 0.045 C +ATOM 406 CG GLU 41 -33.878 36.760 68.311 0.00 0.00 0.116 C +ATOM 407 CD GLU 41 -34.742 38.020 68.229 0.00 0.00 0.172 C +ATOM 408 OE1 GLU 41 -35.741 38.040 67.494 0.00 0.00 -0.648 OA +ATOM 409 OE2 GLU 41 -34.345 39.003 68.964 0.00 0.00 -0.648 OA +ATOM 410 N GLU 42 -36.089 34.104 71.658 0.00 0.00 -0.346 N +ATOM 411 HN GLU 42 -35.469 34.612 72.289 1.00 0.00 0.163 HD +ATOM 412 CA GLU 42 -36.801 32.932 72.151 0.00 0.00 0.177 C +ATOM 413 C GLU 42 -36.454 31.654 71.369 0.00 0.00 0.240 C +ATOM 414 O GLU 42 -37.308 30.801 71.120 0.00 0.00 -0.271 OA +ATOM 415 CB GLU 42 -38.319 33.193 72.155 0.00 0.00 0.045 C +ATOM 416 CG GLU 42 -38.676 34.336 73.107 0.00 0.00 0.116 C +ATOM 417 CD GLU 42 -40.157 34.705 72.989 0.00 0.00 0.172 C +ATOM 418 OE1 GLU 42 -41.022 33.819 73.044 0.00 0.00 -0.648 OA +ATOM 419 OE2 GLU 42 -40.395 35.963 72.837 0.00 0.00 -0.648 OA +ATOM 420 N GLY 43 -35.186 31.544 70.984 0.00 0.00 -0.351 N +ATOM 421 HN GLY 43 -34.531 32.298 71.193 1.00 0.00 0.163 HD +ATOM 422 CA GLY 43 -34.720 30.374 70.274 0.00 0.00 0.225 C +ATOM 423 C GLY 43 -34.045 29.437 71.257 0.00 0.00 0.236 C +ATOM 424 O GLY 43 -33.557 29.864 72.304 0.00 0.00 -0.272 OA +ATOM 425 N ILE 44 -34.028 28.153 70.936 0.00 0.00 -0.346 N +ATOM 426 HN ILE 44 -34.462 27.850 70.064 1.00 0.00 0.163 HD +ATOM 427 CA ILE 44 -33.403 27.164 71.802 0.00 0.00 0.180 C +ATOM 428 C ILE 44 -31.950 26.857 71.335 0.00 0.00 0.241 C +ATOM 429 O ILE 44 -31.142 26.261 72.070 0.00 0.00 -0.271 OA +ATOM 430 CB ILE 44 -34.326 25.936 71.912 0.00 0.00 0.013 C +ATOM 431 CG1 ILE 44 -34.949 25.842 73.307 0.00 0.00 0.002 C +ATOM 432 CG2 ILE 44 -33.582 24.655 71.529 0.00 0.00 0.012 C +ATOM 433 CD1 ILE 44 -35.799 27.077 73.612 0.00 0.00 0.005 C +ATOM 434 N GLY 45 -31.610 27.337 70.139 0.00 0.00 -0.351 N +ATOM 435 HN GLY 45 -32.296 27.857 69.591 1.00 0.00 0.163 HD +ATOM 436 CA GLY 45 -30.277 27.129 69.607 0.00 0.00 0.225 C +ATOM 437 C GLY 45 -29.934 28.234 68.628 0.00 0.00 0.236 C +ATOM 438 O GLY 45 -30.840 28.974 68.199 0.00 0.00 -0.272 OA +ATOM 439 N LEU 46 -28.643 28.350 68.279 0.00 0.00 -0.346 N +ATOM 440 HN LEU 46 -27.965 27.710 68.693 1.00 0.00 0.163 HD +ATOM 441 CA LEU 46 -28.167 29.361 67.326 0.00 0.00 0.177 C +ATOM 442 C LEU 46 -26.792 29.000 66.718 0.00 0.00 0.241 C +ATOM 443 O LEU 46 -25.935 28.425 67.387 0.00 0.00 -0.271 OA +ATOM 444 CB LEU 46 -28.095 30.742 68.004 0.00 0.00 0.038 C +ATOM 445 CG LEU 46 -28.070 31.950 67.064 0.00 0.00 -0.020 C +ATOM 446 CD1 LEU 46 -29.465 32.238 66.505 0.00 0.00 0.009 C +ATOM 447 CD2 LEU 46 -27.467 33.172 67.759 0.00 0.00 0.009 C +ATOM 448 N ALA 47 -26.636 29.284 65.426 0.00 0.00 -0.346 N +ATOM 449 HN ALA 47 -27.424 29.691 64.922 1.00 0.00 0.163 HD +ATOM 450 CA ALA 47 -25.396 29.043 64.692 0.00 0.00 0.172 C +ATOM 451 C ALA 47 -24.879 30.410 64.203 0.00 0.00 0.240 C +ATOM 452 O ALA 47 -25.667 31.248 63.739 0.00 0.00 -0.271 OA +ATOM 453 CB ALA 47 -25.654 28.096 63.505 0.00 0.00 0.042 C +ATOM 454 N ALA 48 -23.568 30.645 64.309 0.00 0.00 -0.346 N +ATOM 455 HN ALA 48 -22.964 29.910 64.678 1.00 0.00 0.163 HD +ATOM 456 CA ALA 48 -22.964 31.930 63.911 0.00 0.00 0.172 C +ATOM 457 C ALA 48 -23.393 32.471 62.554 0.00 0.00 0.240 C +ATOM 458 O ALA 48 -23.594 33.673 62.394 0.00 0.00 -0.271 OA +ATOM 459 CB ALA 48 -21.428 31.849 63.981 0.00 0.00 0.042 C +ATOM 460 N THR 49 -23.563 31.583 61.587 0.00 0.00 -0.344 N +ATOM 461 HN THR 49 -23.399 30.597 61.792 1.00 0.00 0.163 HD +ATOM 462 CA THR 49 -23.976 31.960 60.239 0.00 0.00 0.205 C +ATOM 463 C THR 49 -25.218 32.877 60.133 0.00 0.00 0.243 C +ATOM 464 O THR 49 -25.285 33.763 59.261 0.00 0.00 -0.271 OA +ATOM 465 CB THR 49 -24.243 30.687 59.415 0.00 0.00 0.146 C +ATOM 466 OG1 THR 49 -23.053 29.918 59.568 0.00 0.00 -0.393 OA +ATOM 467 CG2 THR 49 -24.315 30.966 57.912 0.00 0.00 0.042 C +ATOM 468 HOG THR 49 -23.144 29.107 59.082 0.00 0.00 0.210 HD +ATOM 469 N GLN 50 -26.193 32.654 61.016 0.00 0.00 -0.346 N +ATOM 470 HN GLN 50 -26.059 31.923 61.715 1.00 0.00 0.163 HD +ATOM 471 CA GLN 50 -27.454 33.416 61.026 0.00 0.00 0.177 C +ATOM 472 C GLN 50 -27.231 34.853 61.420 0.00 0.00 0.241 C +ATOM 473 O GLN 50 -28.061 35.716 61.158 0.00 0.00 -0.271 OA +ATOM 474 CB GLN 50 -28.429 32.802 62.048 0.00 0.00 0.044 C +ATOM 475 CG GLN 50 -28.602 31.301 61.808 0.00 0.00 0.105 C +ATOM 476 CD GLN 50 -29.636 30.708 62.767 0.00 0.00 0.215 C +ATOM 477 OE1 GLN 50 -29.328 29.909 63.636 0.00 0.00 -0.274 OA +ATOM 478 NE2 GLN 50 -30.876 31.143 62.562 0.00 0.00 -0.370 N +ATOM 479 1HE2 GLN 50 -31.134 31.811 61.835 1.00 0.00 0.159 HD +ATOM 480 2HE2 GLN 50 -31.565 30.748 63.201 1.00 0.00 0.159 HD +ATOM 481 N VAL 51 -26.126 35.083 62.115 0.00 0.00 -0.346 N +ATOM 482 HN VAL 51 -25.510 34.300 62.332 1.00 0.00 0.163 HD +ATOM 483 CA VAL 51 -25.761 36.409 62.578 0.00 0.00 0.180 C +ATOM 484 C VAL 51 -24.754 37.106 61.640 0.00 0.00 0.241 C +ATOM 485 O VAL 51 -24.409 38.268 61.840 0.00 0.00 -0.271 OA +ATOM 486 CB VAL 51 -25.267 36.297 64.032 0.00 0.00 0.009 C +ATOM 487 CG1 VAL 51 -24.294 37.429 64.369 0.00 0.00 0.012 C +ATOM 488 CG2 VAL 51 -26.443 36.276 65.011 0.00 0.00 0.012 C +ATOM 489 N ASP 52 -24.370 36.419 60.566 0.00 0.00 -0.345 N +ATOM 490 HN ASP 52 -24.754 35.485 60.424 1.00 0.00 0.163 HD +ATOM 491 CA ASP 52 -23.421 36.941 59.578 0.00 0.00 0.186 C +ATOM 492 C ASP 52 -21.968 36.743 60.041 0.00 0.00 0.241 C +ATOM 493 O ASP 52 -21.073 37.482 59.635 0.00 0.00 -0.271 OA +ATOM 494 CB ASP 52 -23.723 38.417 59.260 0.00 0.00 0.147 C +ATOM 495 CG ASP 52 -23.149 38.924 57.935 0.00 0.00 0.175 C +ATOM 496 OD1 ASP 52 -22.859 38.136 57.022 0.00 0.00 -0.648 OA +ATOM 497 OD2 ASP 52 -23.000 40.203 57.859 0.00 0.00 -0.648 OA +ATOM 498 N ILE 53 -21.752 35.747 60.899 0.00 0.00 -0.346 N +ATOM 499 HN ILE 53 -22.546 35.195 61.223 1.00 0.00 0.163 HD +ATOM 500 CA ILE 53 -20.413 35.417 61.393 0.00 0.00 0.180 C +ATOM 501 C ILE 53 -20.102 34.016 60.875 0.00 0.00 0.241 C +ATOM 502 O ILE 53 -20.590 33.008 61.398 0.00 0.00 -0.271 OA +ATOM 503 CB ILE 53 -20.316 35.482 62.929 0.00 0.00 0.013 C +ATOM 504 CG1 ILE 53 -20.385 36.929 63.422 0.00 0.00 0.002 C +ATOM 505 CG2 ILE 53 -19.062 34.764 63.430 0.00 0.00 0.012 C +ATOM 506 CD1 ILE 53 -20.416 36.986 64.950 0.00 0.00 0.005 C +ATOM 507 N HIS 54 -19.258 33.956 59.856 0.00 0.00 -0.346 N +ATOM 508 HN HIS 54 -18.824 34.812 59.511 1.00 0.00 0.163 HD +ATOM 509 CA HIS 54 -18.945 32.695 59.228 0.00 0.00 0.182 C +ATOM 510 C HIS 54 -17.816 31.819 59.774 0.00 0.00 0.241 C +ATOM 511 O HIS 54 -16.825 31.534 59.078 0.00 0.00 -0.271 OA +ATOM 512 CB HIS 54 -18.877 32.907 57.704 0.00 0.00 0.093 C +ATOM 513 CG HIS 54 -20.110 33.552 57.118 0.00 0.00 0.028 A +ATOM 514 ND1 HIS 54 -20.218 34.916 56.914 0.00 0.00 -0.354 N +ATOM 515 HD1 HIS 54 -19.502 35.610 57.130 1.00 0.00 0.166 HD +ATOM 516 CD2 HIS 54 -21.285 33.005 56.694 0.00 0.00 0.114 A +ATOM 517 CE1 HIS 54 -21.409 35.168 56.391 0.00 0.00 0.180 A +ATOM 518 NE2 HIS 54 -22.069 33.982 56.256 0.00 0.00 -0.360 N +ATOM 519 HE2 HIS 54 -23.010 33.865 55.880 1.00 0.00 0.166 HD +ATOM 520 N GLN 55 -18.043 31.315 60.988 0.00 0.00 -0.346 N +ATOM 521 HN GLN 55 -18.911 31.575 61.456 1.00 0.00 0.163 HD +ATOM 522 CA GLN 55 -17.130 30.414 61.693 0.00 0.00 0.177 C +ATOM 523 C GLN 55 -17.979 29.314 62.332 0.00 0.00 0.241 C +ATOM 524 O GLN 55 -19.146 29.538 62.632 0.00 0.00 -0.271 OA +ATOM 525 CB GLN 55 -16.341 31.155 62.788 0.00 0.00 0.044 C +ATOM 526 CG GLN 55 -15.387 32.183 62.177 0.00 0.00 0.105 C +ATOM 527 CD GLN 55 -14.393 32.697 63.220 0.00 0.00 0.215 C +ATOM 528 OE1 GLN 55 -14.452 33.831 63.666 0.00 0.00 -0.274 OA +ATOM 529 NE2 GLN 55 -13.478 31.802 63.582 0.00 0.00 -0.370 N +ATOM 530 1HE2 GLN 55 -13.429 30.854 63.209 1.00 0.00 0.159 HD +ATOM 531 2HE2 GLN 55 -12.815 32.145 64.277 1.00 0.00 0.159 HD +ATOM 532 N ARG 56 -17.395 28.140 62.560 0.00 0.00 -0.346 N +ATOM 533 HN ARG 56 -16.407 28.025 62.332 1.00 0.00 0.163 HD +ATOM 534 CA ARG 56 -18.128 27.013 63.127 0.00 0.00 0.176 C +ATOM 535 C ARG 56 -18.429 27.085 64.600 0.00 0.00 0.241 C +ATOM 536 O ARG 56 -17.891 26.309 65.395 0.00 0.00 -0.271 OA +ATOM 537 CB ARG 56 -17.407 25.683 62.841 0.00 0.00 0.036 C +ATOM 538 CG ARG 56 -17.107 25.531 61.349 0.00 0.00 0.023 C +ATOM 539 CD ARG 56 -16.628 24.114 61.027 0.00 0.00 0.138 C +ATOM 540 NE ARG 56 -17.587 23.451 60.115 0.00 0.00 -0.227 N +ATOM 541 HE ARG 56 -17.715 23.849 59.184 1.00 0.00 0.177 HD +ATOM 542 CZ ARG 56 -18.303 22.353 60.438 0.00 0.00 0.665 C +ATOM 543 NH1 ARG 56 -18.152 21.813 61.655 0.00 0.00 -0.235 N +ATOM 544 1HH1 ARG 56 -17.506 22.226 62.328 1.00 0.00 0.174 HD +ATOM 545 2HH1 ARG 56 -18.693 20.983 61.899 1.00 0.00 0.174 HD +ATOM 546 NH2 ARG 56 -19.152 21.811 59.554 0.00 0.00 -0.235 N +ATOM 547 1HH2 ARG 56 -19.267 22.222 58.628 1.00 0.00 0.174 HD +ATOM 548 2HH2 ARG 56 -19.693 20.981 59.798 1.00 0.00 0.174 HD +ATOM 549 N ILE 57 -19.322 27.996 64.959 0.00 0.00 -0.346 N +ATOM 550 HN ILE 57 -19.737 28.597 64.247 1.00 0.00 0.163 HD +ATOM 551 CA ILE 57 -19.720 28.156 66.343 0.00 0.00 0.180 C +ATOM 552 C ILE 57 -21.233 27.945 66.444 0.00 0.00 0.241 C +ATOM 553 O ILE 57 -22.004 28.459 65.622 0.00 0.00 -0.271 OA +ATOM 554 CB ILE 57 -19.384 29.559 66.883 0.00 0.00 0.013 C +ATOM 555 CG1 ILE 57 -17.924 29.919 66.602 0.00 0.00 0.002 C +ATOM 556 CG2 ILE 57 -19.727 29.671 68.369 0.00 0.00 0.012 C +ATOM 557 CD1 ILE 57 -17.693 31.425 66.748 0.00 0.00 0.005 C +ATOM 558 N ILE 58 -21.638 27.185 67.455 0.00 0.00 -0.346 N +ATOM 559 HN ILE 58 -20.934 26.786 68.076 1.00 0.00 0.163 HD +ATOM 560 CA ILE 58 -23.050 26.893 67.720 0.00 0.00 0.180 C +ATOM 561 C ILE 58 -23.299 26.953 69.226 0.00 0.00 0.241 C +ATOM 562 O ILE 58 -22.511 26.426 70.010 0.00 0.00 -0.271 OA +ATOM 563 CB ILE 58 -23.411 25.467 67.265 0.00 0.00 0.013 C +ATOM 564 CG1 ILE 58 -23.482 25.380 65.739 0.00 0.00 0.002 C +ATOM 565 CG2 ILE 58 -24.706 24.991 67.927 0.00 0.00 0.012 C +ATOM 566 CD1 ILE 58 -23.338 23.933 65.264 0.00 0.00 0.005 C +ATOM 567 N VAL 59 -24.371 27.632 69.623 0.00 0.00 -0.346 N +ATOM 568 HN VAL 59 -24.935 28.118 68.925 1.00 0.00 0.163 HD +ATOM 569 CA VAL 59 -24.768 27.704 71.034 0.00 0.00 0.180 C +ATOM 570 C VAL 59 -26.176 27.072 71.120 0.00 0.00 0.241 C +ATOM 571 O VAL 59 -26.996 27.230 70.215 0.00 0.00 -0.271 OA +ATOM 572 CB VAL 59 -24.738 29.142 71.585 0.00 0.00 0.009 C +ATOM 573 CG1 VAL 59 -23.345 29.757 71.437 0.00 0.00 0.012 C +ATOM 574 CG2 VAL 59 -25.797 30.012 70.905 0.00 0.00 0.012 C +ATOM 575 N ILE 60 -26.409 26.306 72.172 0.00 0.00 -0.346 N +ATOM 576 HN ILE 60 -25.672 26.201 72.870 1.00 0.00 0.163 HD +ATOM 577 CA ILE 60 -27.667 25.605 72.382 0.00 0.00 0.180 C +ATOM 578 C ILE 60 -28.020 25.650 73.870 0.00 0.00 0.241 C +ATOM 579 O ILE 60 -27.162 25.404 74.724 0.00 0.00 -0.271 OA +ATOM 580 CB ILE 60 -27.523 24.119 72.006 0.00 0.00 0.013 C +ATOM 581 CG1 ILE 60 -27.531 23.935 70.487 0.00 0.00 0.002 C +ATOM 582 CG2 ILE 60 -28.596 23.272 72.692 0.00 0.00 0.012 C +ATOM 583 CD1 ILE 60 -27.204 22.489 70.108 0.00 0.00 0.005 C +ATOM 584 N ASP 61 -29.275 25.976 74.179 0.00 0.00 -0.345 N +ATOM 585 HN ASP 61 -29.918 26.235 73.431 1.00 0.00 0.163 HD +ATOM 586 CA ASP 61 -29.754 25.972 75.558 0.00 0.00 0.186 C +ATOM 587 C ASP 61 -31.226 25.582 75.548 0.00 0.00 0.241 C +ATOM 588 O ASP 61 -32.097 26.333 75.078 0.00 0.00 -0.271 OA +ATOM 589 CB ASP 61 -29.566 27.317 76.284 0.00 0.00 0.147 C +ATOM 590 CG ASP 61 -29.884 27.294 77.780 0.00 0.00 0.175 C +ATOM 591 OD1 ASP 61 -30.090 26.224 78.373 0.00 0.00 -0.648 OA +ATOM 592 OD2 ASP 61 -29.918 28.452 78.349 0.00 0.00 -0.648 OA +ATOM 593 N VAL 62 -31.471 24.399 76.097 0.00 0.00 -0.346 N +ATOM 594 HN VAL 62 -30.689 23.886 76.503 1.00 0.00 0.163 HD +ATOM 595 CA VAL 62 -32.789 23.795 76.152 0.00 0.00 0.180 C +ATOM 596 C VAL 62 -33.504 23.907 77.512 0.00 0.00 0.241 C +ATOM 597 O VAL 62 -34.710 23.684 77.605 0.00 0.00 -0.271 OA +ATOM 598 CB VAL 62 -32.664 22.319 75.732 0.00 0.00 0.009 C +ATOM 599 CG1 VAL 62 -34.043 21.689 75.525 0.00 0.00 0.012 C +ATOM 600 CG2 VAL 62 -31.803 22.178 74.475 0.00 0.00 0.012 C +ATOM 601 N SER 63 -32.767 24.294 78.548 0.00 0.00 -0.344 N +ATOM 602 HN SER 63 -31.782 24.512 78.399 1.00 0.00 0.163 HD +ATOM 603 CA SER 63 -33.322 24.418 79.895 0.00 0.00 0.200 C +ATOM 604 C SER 63 -34.392 25.503 80.034 0.00 0.00 0.243 C +ATOM 605 O SER 63 -34.217 26.612 79.554 0.00 0.00 -0.271 OA +ATOM 606 CB SER 63 -32.190 24.693 80.903 0.00 0.00 0.199 C +ATOM 607 OG SER 63 -31.607 25.979 80.712 0.00 0.00 -0.398 OA +ATOM 608 HOG SER 63 -30.917 26.104 81.353 0.00 0.00 0.209 HD +ATOM 609 N GLU 64 -35.471 25.182 80.739 0.00 0.00 -0.346 N +ATOM 610 HN GLU 64 -35.533 24.242 81.130 1.00 0.00 0.163 HD +ATOM 611 CA GLU 64 -36.576 26.113 80.983 0.00 0.00 0.177 C +ATOM 612 C GLU 64 -36.076 27.378 81.672 0.00 0.00 0.241 C +ATOM 613 O GLU 64 -36.529 28.498 81.416 0.00 0.00 -0.271 OA +ATOM 614 CB GLU 64 -37.602 25.437 81.911 0.00 0.00 0.045 C +ATOM 615 CG GLU 64 -38.481 26.478 82.608 0.00 0.00 0.116 C +ATOM 616 CD GLU 64 -39.277 25.846 83.751 0.00 0.00 0.172 C +ATOM 617 OE1 GLU 64 -38.741 25.008 84.492 0.00 0.00 -0.648 OA +ATOM 618 OE2 GLU 64 -40.496 26.255 83.858 0.00 0.00 -0.648 OA +ATOM 619 N ASN 65 -35.151 27.150 82.584 0.00 0.00 -0.346 N +ATOM 620 HN ASN 65 -34.840 26.188 82.721 1.00 0.00 0.163 HD +ATOM 621 CA ASN 65 -34.551 28.182 83.402 0.00 0.00 0.185 C +ATOM 622 C ASN 65 -33.387 28.946 82.752 0.00 0.00 0.241 C +ATOM 623 O ASN 65 -32.827 29.858 83.368 0.00 0.00 -0.271 OA +ATOM 624 CB ASN 65 -34.115 27.534 84.729 0.00 0.00 0.137 C +ATOM 625 CG ASN 65 -33.869 26.034 84.552 0.00 0.00 0.217 C +ATOM 626 OD1 ASN 65 -34.670 25.198 84.937 0.00 0.00 -0.274 OA +ATOM 627 ND2 ASN 65 -32.720 25.742 83.951 0.00 0.00 -0.370 N +ATOM 628 1HD2 ASN 65 -32.556 24.742 83.833 1.00 0.00 0.159 HD +ATOM 629 2HD2 ASN 65 -32.050 26.441 83.629 1.00 0.00 0.159 HD +ATOM 630 N ARG 66 -33.074 28.619 81.496 0.00 0.00 -0.346 N +ATOM 631 HN ARG 66 -33.628 27.902 81.027 1.00 0.00 0.163 HD +ATOM 632 CA ARG 66 -31.967 29.244 80.757 0.00 0.00 0.176 C +ATOM 633 C ARG 66 -30.624 29.179 81.507 0.00 0.00 0.241 C +ATOM 634 O ARG 66 -29.906 30.168 81.588 0.00 0.00 -0.271 OA +ATOM 635 CB ARG 66 -32.285 30.708 80.399 0.00 0.00 0.036 C +ATOM 636 CG ARG 66 -33.422 30.788 79.378 0.00 0.00 0.023 C +ATOM 637 CD ARG 66 -33.649 32.231 78.923 0.00 0.00 0.138 C +ATOM 638 NE ARG 66 -34.921 32.331 78.174 0.00 0.00 -0.227 N +ATOM 639 HE ARG 66 -35.371 31.465 77.877 1.00 0.00 0.177 HD +ATOM 640 CZ ARG 66 -35.524 33.498 77.859 0.00 0.00 0.665 C +ATOM 641 NH1 ARG 66 -34.952 34.648 78.238 0.00 0.00 -0.235 N +ATOM 642 1HH1 ARG 66 -34.074 34.643 78.757 1.00 0.00 0.174 HD +ATOM 643 2HH1 ARG 66 -35.407 35.529 78.000 1.00 0.00 0.174 HD +ATOM 644 NH2 ARG 66 -36.677 33.504 77.177 0.00 0.00 -0.235 N +ATOM 645 1HH2 ARG 66 -37.113 32.628 76.888 1.00 0.00 0.174 HD +ATOM 646 2HH2 ARG 66 -37.132 34.385 76.939 1.00 0.00 0.174 HD +ATOM 647 N ASP 67 -30.270 28.006 82.023 0.00 0.00 -0.346 N +ATOM 648 HN ASP 67 -30.883 27.200 81.902 1.00 0.00 0.163 HD +ATOM 649 CA ASP 67 -29.017 27.852 82.762 0.00 0.00 0.186 C +ATOM 650 C ASP 67 -28.300 26.528 82.530 0.00 0.00 0.241 C +ATOM 651 O ASP 67 -27.741 25.936 83.457 0.00 0.00 -0.271 OA +ATOM 652 CB ASP 67 -29.240 28.061 84.271 0.00 0.00 0.147 C +ATOM 653 CG ASP 67 -30.355 27.211 84.884 0.00 0.00 0.175 C +ATOM 654 OD1 ASP 67 -30.300 25.972 84.860 0.00 0.00 -0.648 OA +ATOM 655 OD2 ASP 67 -31.324 27.880 85.410 0.00 0.00 -0.648 OA +ATOM 656 N GLU 68 -28.350 26.052 81.294 0.00 0.00 -0.346 N +ATOM 657 HN GLU 68 -28.868 26.575 80.587 1.00 0.00 0.163 HD +ATOM 658 CA GLU 68 -27.694 24.812 80.907 0.00 0.00 0.177 C +ATOM 659 C GLU 68 -27.190 25.084 79.499 0.00 0.00 0.241 C +ATOM 660 O GLU 68 -27.811 24.686 78.512 0.00 0.00 -0.271 OA +ATOM 661 CB GLU 68 -28.690 23.638 80.924 0.00 0.00 0.045 C +ATOM 662 CG GLU 68 -29.195 23.368 82.343 0.00 0.00 0.116 C +ATOM 663 CD GLU 68 -30.185 22.201 82.360 0.00 0.00 0.172 C +ATOM 664 OE1 GLU 68 -30.473 21.617 81.305 0.00 0.00 -0.648 OA +ATOM 665 OE2 GLU 68 -30.660 21.906 83.522 0.00 0.00 -0.648 OA +ATOM 666 N ARG 69 -26.115 25.864 79.426 0.00 0.00 -0.346 N +ATOM 667 HN ARG 69 -25.702 26.206 80.294 1.00 0.00 0.163 HD +ATOM 668 CA ARG 69 -25.500 26.252 78.163 0.00 0.00 0.176 C +ATOM 669 C ARG 69 -24.633 25.149 77.536 0.00 0.00 0.241 C +ATOM 670 O ARG 69 -23.955 24.388 78.233 0.00 0.00 -0.271 OA +ATOM 671 CB ARG 69 -24.692 27.548 78.361 0.00 0.00 0.036 C +ATOM 672 CG ARG 69 -25.610 28.715 78.730 0.00 0.00 0.023 C +ATOM 673 CD ARG 69 -24.806 30.002 78.931 0.00 0.00 0.138 C +ATOM 674 NE ARG 69 -25.632 31.176 78.572 0.00 0.00 -0.227 N +ATOM 675 HE ARG 69 -26.646 31.082 78.627 1.00 0.00 0.177 HD +ATOM 676 CZ ARG 69 -25.128 32.364 78.176 0.00 0.00 0.665 C +ATOM 677 NH1 ARG 69 -23.798 32.510 78.095 0.00 0.00 -0.235 N +ATOM 678 1HH1 ARG 69 -23.177 31.736 78.330 1.00 0.00 0.174 HD +ATOM 679 2HH1 ARG 69 -23.417 33.408 77.796 1.00 0.00 0.174 HD +ATOM 680 NH2 ARG 69 -25.944 33.381 77.867 0.00 0.00 -0.235 N +ATOM 681 1HH2 ARG 69 -26.956 33.270 77.929 1.00 0.00 0.174 HD +ATOM 682 2HH2 ARG 69 -25.563 34.279 77.568 1.00 0.00 0.174 HD +ATOM 683 N LEU 70 -24.734 25.022 76.219 0.00 0.00 -0.346 N +ATOM 684 HN LEU 70 -25.371 25.639 75.715 1.00 0.00 0.163 HD +ATOM 685 CA LEU 70 -23.970 24.035 75.462 0.00 0.00 0.177 C +ATOM 686 C LEU 70 -23.327 24.803 74.315 0.00 0.00 0.241 C +ATOM 687 O LEU 70 -24.016 25.513 73.571 0.00 0.00 -0.271 OA +ATOM 688 CB LEU 70 -24.898 22.938 74.906 0.00 0.00 0.038 C +ATOM 689 CG LEU 70 -24.216 21.820 74.115 0.00 0.00 -0.020 C +ATOM 690 CD1 LEU 70 -23.362 20.943 75.033 0.00 0.00 0.009 C +ATOM 691 CD2 LEU 70 -25.241 21.001 73.330 0.00 0.00 0.009 C +ATOM 692 N VAL 71 -22.002 24.709 74.226 0.00 0.00 -0.346 N +ATOM 693 HN VAL 71 -21.504 24.143 74.912 1.00 0.00 0.163 HD +ATOM 694 CA VAL 71 -21.234 25.386 73.183 0.00 0.00 0.180 C +ATOM 695 C VAL 71 -20.555 24.345 72.289 0.00 0.00 0.241 C +ATOM 696 O VAL 71 -19.862 23.448 72.778 0.00 0.00 -0.271 OA +ATOM 697 CB VAL 71 -20.175 26.324 73.791 0.00 0.00 0.009 C +ATOM 698 CG1 VAL 71 -19.304 26.949 72.699 0.00 0.00 0.012 C +ATOM 699 CG2 VAL 71 -20.830 27.404 74.655 0.00 0.00 0.012 C +ATOM 700 N LEU 72 -20.797 24.443 70.988 0.00 0.00 -0.346 N +ATOM 701 HN LEU 72 -21.407 25.189 70.653 1.00 0.00 0.163 HD +ATOM 702 CA LEU 72 -20.219 23.519 70.024 0.00 0.00 0.177 C +ATOM 703 C LEU 72 -19.393 24.288 69.002 0.00 0.00 0.241 C +ATOM 704 O LEU 72 -19.945 24.942 68.097 0.00 0.00 -0.271 OA +ATOM 705 CB LEU 72 -21.305 22.727 69.272 0.00 0.00 0.038 C +ATOM 706 CG LEU 72 -22.192 21.824 70.131 0.00 0.00 -0.020 C +ATOM 707 CD1 LEU 72 -23.054 20.911 69.257 0.00 0.00 0.009 C +ATOM 708 CD2 LEU 72 -21.357 21.032 71.138 0.00 0.00 0.009 C +ATOM 709 N ILE 73 -18.074 24.239 69.191 0.00 0.00 -0.346 N +ATOM 710 HN ILE 73 -17.718 23.724 69.996 1.00 0.00 0.163 HD +ATOM 711 CA ILE 73 -17.115 24.887 68.301 0.00 0.00 0.180 C +ATOM 712 C ILE 73 -16.440 23.758 67.523 0.00 0.00 0.241 C +ATOM 713 O ILE 73 -16.048 22.734 68.085 0.00 0.00 -0.271 OA +ATOM 714 CB ILE 73 -16.117 25.757 69.087 0.00 0.00 0.013 C +ATOM 715 CG1 ILE 73 -16.754 27.084 69.504 0.00 0.00 0.002 C +ATOM 716 CG2 ILE 73 -14.826 25.965 68.292 0.00 0.00 0.012 C +ATOM 717 CD1 ILE 73 -15.766 27.942 70.296 0.00 0.00 0.005 C +ATOM 718 N ASN 74 -16.363 23.924 66.217 0.00 0.00 -0.346 N +ATOM 719 HN ASN 74 -16.710 24.790 65.804 1.00 0.00 0.163 HD +ATOM 720 CA ASN 74 -15.794 22.900 65.351 0.00 0.00 0.185 C +ATOM 721 C ASN 74 -16.402 21.535 65.657 0.00 0.00 0.243 C +ATOM 722 O ASN 74 -15.694 20.622 66.100 0.00 0.00 -0.271 OA +ATOM 723 CB ASN 74 -14.263 22.819 65.494 0.00 0.00 0.137 C +ATOM 724 CG ASN 74 -13.596 24.100 64.988 0.00 0.00 0.217 C +ATOM 725 OD1 ASN 74 -14.182 24.892 64.269 0.00 0.00 -0.274 OA +ATOM 726 ND2 ASN 74 -12.342 24.256 65.402 0.00 0.00 -0.370 N +ATOM 727 1HD2 ASN 74 -11.897 25.110 65.065 1.00 0.00 0.159 HD +ATOM 728 2HD2 ASN 74 -11.852 23.594 66.003 1.00 0.00 0.159 HD +ATOM 729 N PRO 75 -17.743 21.405 65.529 0.00 0.00 -0.337 N +ATOM 730 CA PRO 75 -18.369 20.103 65.801 0.00 0.00 0.179 C +ATOM 731 C PRO 75 -18.171 19.143 64.622 0.00 0.00 0.241 C +ATOM 732 O PRO 75 -18.089 19.548 63.475 0.00 0.00 -0.271 OA +ATOM 733 CB PRO 75 -19.771 20.383 66.160 0.00 0.00 0.037 C +ATOM 734 CG PRO 75 -20.064 21.776 65.626 0.00 0.00 0.022 C +ATOM 735 CD PRO 75 -18.736 22.432 65.283 0.00 0.00 0.127 C +ATOM 736 N GLU 76 -18.149 17.862 64.918 0.00 0.00 -0.346 N +ATOM 737 HN GLU 76 -18.283 17.581 65.889 1.00 0.00 0.163 HD +ATOM 738 CA GLU 76 -17.943 16.839 63.923 0.00 0.00 0.177 C +ATOM 739 C GLU 76 -18.879 15.709 64.287 0.00 0.00 0.241 C +ATOM 740 O GLU 76 -18.950 15.317 65.448 0.00 0.00 -0.271 OA +ATOM 741 CB GLU 76 -16.496 16.323 64.027 0.00 0.00 0.045 C +ATOM 742 CG GLU 76 -16.166 15.376 62.871 0.00 0.00 0.116 C +ATOM 743 CD GLU 76 -14.923 14.541 63.184 0.00 0.00 0.172 C +ATOM 744 OE1 GLU 76 -14.089 14.954 64.004 0.00 0.00 -0.648 OA +ATOM 745 OE2 GLU 76 -14.840 13.426 62.542 0.00 0.00 -0.648 OA +ATOM 746 N LEU 77 -19.622 15.205 63.309 0.00 0.00 -0.346 N +ATOM 747 HN LEU 77 -19.546 15.596 62.370 1.00 0.00 0.163 HD +ATOM 748 CA LEU 77 -20.547 14.099 63.553 0.00 0.00 0.177 C +ATOM 749 C LEU 77 -19.771 12.794 63.491 0.00 0.00 0.241 C +ATOM 750 O LEU 77 -19.162 12.492 62.475 0.00 0.00 -0.271 OA +ATOM 751 CB LEU 77 -21.663 14.076 62.492 0.00 0.00 0.038 C +ATOM 752 CG LEU 77 -22.646 12.907 62.578 0.00 0.00 -0.020 C +ATOM 753 CD1 LEU 77 -23.457 12.966 63.874 0.00 0.00 0.009 C +ATOM 754 CD2 LEU 77 -23.546 12.855 61.342 0.00 0.00 0.009 C +ATOM 755 N LEU 78 -19.771 12.028 64.575 0.00 0.00 -0.346 N +ATOM 756 HN LEU 78 -20.271 12.328 65.412 1.00 0.00 0.163 HD +ATOM 757 CA LEU 78 -19.056 10.759 64.569 0.00 0.00 0.177 C +ATOM 758 C LEU 78 -19.949 9.623 64.071 0.00 0.00 0.241 C +ATOM 759 O LEU 78 -19.504 8.776 63.304 0.00 0.00 -0.271 OA +ATOM 760 CB LEU 78 -18.489 10.434 65.964 0.00 0.00 0.038 C +ATOM 761 CG LEU 78 -17.677 11.545 66.633 0.00 0.00 -0.020 C +ATOM 762 CD1 LEU 78 -17.123 11.082 67.982 0.00 0.00 0.009 C +ATOM 763 CD2 LEU 78 -16.572 12.052 65.703 0.00 0.00 0.009 C +ATOM 764 N GLU 79 -21.207 9.608 64.512 0.00 0.00 -0.346 N +ATOM 765 HN GLU 79 -21.513 10.339 65.154 1.00 0.00 0.163 HD +ATOM 766 CA GLU 79 -22.164 8.579 64.107 0.00 0.00 0.177 C +ATOM 767 C GLU 79 -23.598 9.074 64.262 0.00 0.00 0.241 C +ATOM 768 O GLU 79 -23.833 10.086 64.915 0.00 0.00 -0.271 OA +ATOM 769 CB GLU 79 -21.956 7.293 64.928 0.00 0.00 0.045 C +ATOM 770 CG GLU 79 -21.633 7.620 66.387 0.00 0.00 0.116 C +ATOM 771 CD GLU 79 -21.078 6.393 67.114 0.00 0.00 0.172 C +ATOM 772 OE1 GLU 79 -21.666 5.943 68.108 0.00 0.00 -0.648 OA +ATOM 773 OE2 GLU 79 -19.996 5.904 66.610 0.00 0.00 -0.648 OA +ATOM 774 N LYS 80 -24.536 8.382 63.621 0.00 0.00 -0.346 N +ATOM 775 HN LYS 80 -24.252 7.572 63.070 1.00 0.00 0.163 HD +ATOM 776 CA LYS 80 -25.958 8.729 63.670 0.00 0.00 0.176 C +ATOM 777 C LYS 80 -26.799 7.479 63.437 0.00 0.00 0.241 C +ATOM 778 O LYS 80 -26.318 6.516 62.842 0.00 0.00 -0.271 OA +ATOM 779 CB LYS 80 -26.311 9.791 62.612 0.00 0.00 0.035 C +ATOM 780 CG LYS 80 -26.094 9.249 61.198 0.00 0.00 0.004 C +ATOM 781 CD LYS 80 -26.362 10.331 60.149 0.00 0.00 0.027 C +ATOM 782 CE LYS 80 -26.673 9.708 58.787 0.00 0.00 0.229 C +ATOM 783 NZ LYS 80 -27.052 10.750 57.818 0.00 0.00 -0.079 N +ATOM 784 HZ1 LYS 80 -27.259 10.335 56.910 1.00 0.00 0.274 HD +ATOM 785 HZ2 LYS 80 -26.342 11.479 57.748 1.00 0.00 0.274 HD +ATOM 786 HZ3 LYS 80 -27.825 11.322 58.159 1.00 0.00 0.274 HD +ATOM 787 N SER 81 -28.043 7.484 63.920 0.00 0.00 -0.344 N +ATOM 788 HN SER 81 -28.379 8.302 64.428 1.00 0.00 0.163 HD +ATOM 789 CA SER 81 -28.935 6.336 63.734 0.00 0.00 0.200 C +ATOM 790 C SER 81 -30.416 6.700 63.833 0.00 0.00 0.242 C +ATOM 791 O SER 81 -30.784 7.646 64.537 0.00 0.00 -0.271 OA +ATOM 792 CB SER 81 -28.602 5.209 64.729 0.00 0.00 0.199 C +ATOM 793 OG SER 81 -28.818 5.608 66.080 0.00 0.00 -0.398 OA +ATOM 794 HOG SER 81 -28.601 4.883 66.655 0.00 0.00 0.209 HD +ATOM 795 N GLY 82 -31.244 5.936 63.119 0.00 0.00 -0.350 N +ATOM 796 HN GLY 82 -30.849 5.178 62.562 1.00 0.00 0.163 HD +ATOM 797 CA GLY 82 -32.697 6.136 63.098 0.00 0.00 0.225 C +ATOM 798 C GLY 82 -33.269 7.383 62.423 0.00 0.00 0.236 C +ATOM 799 O GLY 82 -32.528 8.223 61.892 0.00 0.00 -0.272 OA +ATOM 800 N GLU 83 -34.603 7.469 62.365 0.00 0.00 -0.346 N +ATOM 801 HN GLU 83 -35.167 6.699 62.726 1.00 0.00 0.163 HD +ATOM 802 CA GLU 83 -35.280 8.649 61.792 0.00 0.00 0.177 C +ATOM 803 C GLU 83 -36.300 9.160 62.806 0.00 0.00 0.241 C +ATOM 804 O GLU 83 -36.808 8.397 63.635 0.00 0.00 -0.271 OA +ATOM 805 CB GLU 83 -36.014 8.376 60.466 0.00 0.00 0.045 C +ATOM 806 CG GLU 83 -35.522 7.077 59.824 0.00 0.00 0.116 C +ATOM 807 CD GLU 83 -35.955 5.862 60.646 0.00 0.00 0.172 C +ATOM 808 OE1 GLU 83 -37.142 5.731 60.982 0.00 0.00 -0.648 OA +ATOM 809 OE2 GLU 83 -35.010 5.033 60.935 0.00 0.00 -0.648 OA +ATOM 810 N THR 84 -36.634 10.436 62.699 0.00 0.00 -0.344 N +ATOM 811 HN THR 84 -36.229 10.993 61.947 1.00 0.00 0.163 HD +ATOM 812 CA THR 84 -37.554 11.061 63.616 0.00 0.00 0.205 C +ATOM 813 C THR 84 -37.892 12.387 62.992 0.00 0.00 0.243 C +ATOM 814 O THR 84 -37.460 12.660 61.871 0.00 0.00 -0.271 OA +ATOM 815 CB THR 84 -36.910 11.254 65.001 0.00 0.00 0.146 C +ATOM 816 OG1 THR 84 -37.998 11.631 65.841 0.00 0.00 -0.393 OA +ATOM 817 CG2 THR 84 -35.970 12.461 65.047 0.00 0.00 0.042 C +ATOM 818 HOG THR 84 -37.674 11.769 66.723 0.00 0.00 0.210 HD +ATOM 819 N GLY 85 -38.661 13.203 63.704 0.00 0.00 -0.350 N +ATOM 820 HN GLY 85 -38.975 12.922 64.633 1.00 0.00 0.163 HD +ATOM 821 CA GLY 85 -39.055 14.486 63.171 0.00 0.00 0.225 C +ATOM 822 C GLY 85 -40.122 15.183 63.989 0.00 0.00 0.236 C +ATOM 823 O GLY 85 -41.127 14.572 64.410 0.00 0.00 -0.272 OA +ATOM 824 N ILE 86 -39.883 16.462 64.250 0.00 0.00 -0.346 N +ATOM 825 HN ILE 86 -39.008 16.877 63.929 1.00 0.00 0.163 HD +ATOM 826 CA ILE 86 -40.832 17.292 64.982 0.00 0.00 0.180 C +ATOM 827 C ILE 86 -41.052 18.502 64.094 0.00 0.00 0.241 C +ATOM 828 O ILE 86 -40.422 18.608 63.024 0.00 0.00 -0.271 OA +ATOM 829 CB ILE 86 -40.311 17.728 66.364 0.00 0.00 0.013 C +ATOM 830 CG1 ILE 86 -39.010 18.523 66.234 0.00 0.00 0.002 C +ATOM 831 CG2 ILE 86 -40.158 16.525 67.297 0.00 0.00 0.012 C +ATOM 832 CD1 ILE 86 -38.500 18.967 67.607 0.00 0.00 0.005 C +ATOM 833 N GLU 87 -41.997 19.362 64.463 0.00 0.00 -0.346 N +ATOM 834 HN GLU 87 -42.543 19.183 65.306 1.00 0.00 0.163 HD +ATOM 835 CA GLU 87 -42.259 20.563 63.669 0.00 0.00 0.177 C +ATOM 836 C GLU 87 -41.224 21.557 64.144 0.00 0.00 0.241 C +ATOM 837 O GLU 87 -41.158 21.846 65.332 0.00 0.00 -0.271 OA +ATOM 838 CB GLU 87 -43.685 21.105 63.880 0.00 0.00 0.045 C +ATOM 839 CG GLU 87 -44.725 20.168 63.260 0.00 0.00 0.116 C +ATOM 840 CD GLU 87 -46.103 20.831 63.217 0.00 0.00 0.172 C +ATOM 841 OE1 GLU 87 -46.206 22.058 63.365 0.00 0.00 -0.648 OA +ATOM 842 OE2 GLU 87 -47.090 20.024 63.021 0.00 0.00 -0.648 OA +ATOM 843 N GLU 88 -40.358 21.990 63.232 0.00 0.00 -0.346 N +ATOM 844 HN GLU 88 -40.457 21.668 62.269 1.00 0.00 0.163 HD +ATOM 845 CA GLU 88 -39.270 22.909 63.557 0.00 0.00 0.177 C +ATOM 846 C GLU 88 -39.521 24.262 62.975 0.00 0.00 0.240 C +ATOM 847 O GLU 88 -40.094 24.395 61.898 0.00 0.00 -0.271 OA +ATOM 848 CB GLU 88 -37.934 22.424 62.964 0.00 0.00 0.045 C +ATOM 849 CG GLU 88 -37.593 21.017 63.458 0.00 0.00 0.116 C +ATOM 850 CD GLU 88 -36.268 20.534 62.865 0.00 0.00 0.172 C +ATOM 851 OE1 GLU 88 -35.450 21.354 62.424 0.00 0.00 -0.648 OA +ATOM 852 OE2 GLU 88 -36.102 19.254 62.873 0.00 0.00 -0.648 OA +ATOM 853 N GLY 89 -39.110 25.271 63.713 0.00 0.00 -0.351 N +ATOM 854 HN GLY 89 -38.707 25.098 64.634 1.00 0.00 0.163 HD +ATOM 855 CA GLY 89 -39.229 26.621 63.222 0.00 0.00 0.225 C +ATOM 856 C GLY 89 -37.794 27.111 63.214 0.00 0.00 0.236 C +ATOM 857 O GLY 89 -36.928 26.541 63.898 0.00 0.00 -0.272 OA +ATOM 858 N CYM 90 -37.526 28.158 62.455 0.00 0.00 -0.346 N +ATOM 859 HN CYM 90 -38.273 28.590 61.910 1.00 0.00 0.163 HD +ATOM 860 CA CYM 90 -36.179 28.703 62.386 0.00 0.00 0.186 C +ATOM 861 C CYM 90 -36.254 30.222 62.482 0.00 0.00 0.241 C +ATOM 862 O CYM 90 -37.153 30.835 61.900 0.00 0.00 -0.271 OA +ATOM 863 CB CYM 90 -35.505 28.265 61.073 0.00 0.00 0.120 C +ATOM 864 SG CYM 90 -33.933 29.100 60.707 0.00 0.00 -0.095 SA +ATOM 865 N LEU 91 -35.341 30.826 63.242 0.00 0.00 -0.346 N +ATOM 866 HN LEU 91 -34.648 30.264 63.736 1.00 0.00 0.163 HD +ATOM 867 CA LEU 91 -35.317 32.287 63.380 0.00 0.00 0.177 C +ATOM 868 C LEU 91 -35.084 32.953 62.006 0.00 0.00 0.241 C +ATOM 869 O LEU 91 -35.606 34.032 61.728 0.00 0.00 -0.271 OA +ATOM 870 CB LEU 91 -34.261 32.719 64.414 0.00 0.00 0.038 C +ATOM 871 CG LEU 91 -34.478 32.220 65.844 0.00 0.00 -0.020 C +ATOM 872 CD1 LEU 91 -33.250 32.495 66.713 0.00 0.00 0.009 C +ATOM 873 CD2 LEU 91 -35.752 32.816 66.446 0.00 0.00 0.009 C +ATOM 874 N SER 92 -34.364 32.270 61.119 0.00 0.00 -0.344 N +ATOM 875 HN SER 92 -33.995 31.355 61.377 1.00 0.00 0.163 HD +ATOM 876 CA SER 92 -34.087 32.801 59.779 0.00 0.00 0.200 C +ATOM 877 C SER 92 -35.284 32.674 58.816 0.00 0.00 0.243 C +ATOM 878 O SER 92 -35.308 33.292 57.746 0.00 0.00 -0.271 OA +ATOM 879 CB SER 92 -32.826 32.130 59.205 0.00 0.00 0.199 C +ATOM 880 OG SER 92 -31.686 32.336 60.035 0.00 0.00 -0.398 OA +ATOM 881 HOG SER 92 -30.935 31.906 59.643 0.00 0.00 0.209 HD +ATOM 882 N ILE 93 -36.274 31.867 59.195 0.00 0.00 -0.346 N +ATOM 883 HN ILE 93 -36.181 31.355 60.072 1.00 0.00 0.163 HD +ATOM 884 CA ILE 93 -37.492 31.686 58.400 0.00 0.00 0.181 C +ATOM 885 C ILE 93 -38.566 32.129 59.418 0.00 0.00 0.247 C +ATOM 886 O ILE 93 -39.492 31.370 59.746 0.00 0.00 -0.271 OA +ATOM 887 CB ILE 93 -37.635 30.217 57.960 0.00 0.00 0.013 C +ATOM 888 CG1 ILE 93 -36.395 29.752 57.193 0.00 0.00 0.002 C +ATOM 889 CG2 ILE 93 -38.919 30.008 57.155 0.00 0.00 0.012 C +ATOM 890 CD1 ILE 93 -36.475 28.256 56.878 0.00 0.00 0.005 C +ATOM 891 N PRO 94 -38.499 33.422 59.821 0.00 0.00 -0.311 N +ATOM 892 CA PRO 94 -39.276 34.225 60.766 0.00 0.00 0.101 C +ATOM 893 C PRO 94 -40.304 33.549 61.670 0.00 0.00 0.268 C +ATOM 894 O PRO 94 -40.077 33.409 62.875 0.00 0.00 -0.266 OA +ATOM 895 CB PRO 94 -39.058 35.585 60.572 0.00 0.00 0.010 C +ATOM 896 CG PRO 94 -38.540 35.674 59.145 0.00 0.00 0.050 C +ATOM 897 CD PRO 94 -38.132 34.277 58.709 0.00 0.00 0.136 C +ATOM 898 N GLU 95 -41.425 33.126 61.092 0.00 0.00 -0.342 N +ATOM 899 HN GLU 95 -41.526 33.233 60.083 1.00 0.00 0.163 HD +ATOM 900 CA GLU 95 -42.517 32.515 61.844 0.00 0.00 0.177 C +ATOM 901 C GLU 95 -43.183 31.362 61.091 0.00 0.00 0.241 C +ATOM 902 O GLU 95 -44.405 31.346 60.909 0.00 0.00 -0.271 OA +ATOM 903 CB GLU 95 -43.570 33.595 62.152 0.00 0.00 0.045 C +ATOM 904 CG GLU 95 -42.946 34.770 62.908 0.00 0.00 0.116 C +ATOM 905 CD GLU 95 -43.884 35.979 62.914 0.00 0.00 0.172 C +ATOM 906 OE1 GLU 95 -44.156 36.558 61.852 0.00 0.00 -0.648 OA +ATOM 907 OE2 GLU 95 -44.338 36.311 64.074 0.00 0.00 -0.648 OA +ATOM 908 N GLN 96 -42.396 30.375 60.691 0.00 0.00 -0.346 N +ATOM 909 HN GLN 96 -41.398 30.410 60.901 1.00 0.00 0.163 HD +ATOM 910 CA GLN 96 -42.934 29.244 59.958 0.00 0.00 0.177 C +ATOM 911 C GLN 96 -42.446 27.975 60.640 0.00 0.00 0.241 C +ATOM 912 O GLN 96 -41.394 27.982 61.280 0.00 0.00 -0.271 OA +ATOM 913 CB GLN 96 -42.470 29.306 58.491 0.00 0.00 0.044 C +ATOM 914 CG GLN 96 -43.659 29.500 57.548 0.00 0.00 0.105 C +ATOM 915 CD GLN 96 -44.346 30.844 57.801 0.00 0.00 0.215 C +ATOM 916 OE1 GLN 96 -43.720 31.889 57.864 0.00 0.00 -0.274 OA +ATOM 917 NE2 GLN 96 -45.666 30.758 57.943 0.00 0.00 -0.370 N +ATOM 918 1HE2 GLN 96 -46.189 29.884 57.890 1.00 0.00 0.159 HD +ATOM 919 2HE2 GLN 96 -46.124 31.654 58.112 1.00 0.00 0.159 HD +ATOM 920 N ARG 97 -43.231 26.906 60.542 0.00 0.00 -0.346 N +ATOM 921 HN ARG 97 -44.107 26.984 60.026 1.00 0.00 0.163 HD +ATOM 922 CA ARG 97 -42.881 25.625 61.148 0.00 0.00 0.176 C +ATOM 923 C ARG 97 -43.214 24.483 60.227 0.00 0.00 0.241 C +ATOM 924 O ARG 97 -44.212 24.536 59.497 0.00 0.00 -0.271 OA +ATOM 925 CB ARG 97 -43.607 25.410 62.489 0.00 0.00 0.036 C +ATOM 926 CG ARG 97 -43.169 26.450 63.522 0.00 0.00 0.023 C +ATOM 927 CD ARG 97 -43.399 25.939 64.946 0.00 0.00 0.138 C +ATOM 928 NE ARG 97 -43.079 27.003 65.924 0.00 0.00 -0.227 N +ATOM 929 HE ARG 97 -42.498 27.781 65.611 1.00 0.00 0.177 HD +ATOM 930 CZ ARG 97 -43.508 27.009 67.204 0.00 0.00 0.665 C +ATOM 931 NH1 ARG 97 -44.273 25.998 67.637 0.00 0.00 -0.235 N +ATOM 932 1HH1 ARG 97 -44.527 25.235 67.010 1.00 0.00 0.174 HD +ATOM 933 2HH1 ARG 97 -44.597 26.003 68.604 1.00 0.00 0.174 HD +ATOM 934 NH2 ARG 97 -43.174 28.011 68.028 0.00 0.00 -0.235 N +ATOM 935 1HH2 ARG 97 -42.592 28.781 67.698 1.00 0.00 0.174 HD +ATOM 936 2HH2 ARG 97 -43.498 28.016 68.995 1.00 0.00 0.174 HD +ATOM 937 N ALA 98 -42.402 23.435 60.272 0.00 0.00 -0.346 N +ATOM 938 HN ALA 98 -41.603 23.446 60.907 1.00 0.00 0.163 HD +ATOM 939 CA ALA 98 -42.630 22.278 59.437 0.00 0.00 0.172 C +ATOM 940 C ALA 98 -41.893 21.067 59.982 0.00 0.00 0.240 C +ATOM 941 O ALA 98 -40.886 21.207 60.689 0.00 0.00 -0.271 OA +ATOM 942 CB ALA 98 -42.188 22.575 57.992 0.00 0.00 0.042 C +ATOM 943 N LEU 99 -42.435 19.885 59.697 0.00 0.00 -0.346 N +ATOM 944 HN LEU 99 -43.294 19.873 59.147 1.00 0.00 0.163 HD +ATOM 945 CA LEU 99 -41.878 18.610 60.121 0.00 0.00 0.177 C +ATOM 946 C LEU 99 -40.717 18.344 59.175 0.00 0.00 0.241 C +ATOM 947 O LEU 99 -40.891 18.395 57.963 0.00 0.00 -0.271 OA +ATOM 948 CB LEU 99 -42.926 17.497 59.931 0.00 0.00 0.038 C +ATOM 949 CG LEU 99 -42.862 16.339 60.928 0.00 0.00 -0.020 C +ATOM 950 CD1 LEU 99 -43.147 15.004 60.236 0.00 0.00 0.009 C +ATOM 951 CD2 LEU 99 -41.525 16.326 61.670 0.00 0.00 0.009 C +ATOM 952 N VAL 100 -39.549 18.026 59.736 0.00 0.00 -0.346 N +ATOM 953 HN VAL 100 -39.490 17.970 60.753 1.00 0.00 0.163 HD +ATOM 954 CA VAL 100 -38.353 17.755 58.944 0.00 0.00 0.180 C +ATOM 955 C VAL 100 -37.760 16.428 59.371 0.00 0.00 0.243 C +ATOM 956 O VAL 100 -37.695 16.142 60.560 0.00 0.00 -0.271 OA +ATOM 957 CB VAL 100 -37.312 18.872 59.145 0.00 0.00 0.009 C +ATOM 958 CG1 VAL 100 -36.043 18.590 58.338 0.00 0.00 0.012 C +ATOM 959 CG2 VAL 100 -37.898 20.239 58.785 0.00 0.00 0.012 C +ATOM 960 N PRO 101 -37.434 15.547 58.409 0.00 0.00 -0.337 N +ATOM 961 CA PRO 101 -36.844 14.260 58.780 0.00 0.00 0.179 C +ATOM 962 C PRO 101 -35.403 14.461 59.303 0.00 0.00 0.241 C +ATOM 963 O PRO 101 -34.619 15.237 58.723 0.00 0.00 -0.271 OA +ATOM 964 CB PRO 101 -37.083 13.338 57.667 0.00 0.00 0.037 C +ATOM 965 CG PRO 101 -37.374 14.223 56.466 0.00 0.00 0.022 C +ATOM 966 CD PRO 101 -37.655 15.626 56.978 0.00 0.00 0.127 C +ATOM 967 N ARG 102 -35.100 13.823 60.435 0.00 0.00 -0.346 N +ATOM 968 HN ARG 102 -35.807 13.229 60.867 1.00 0.00 0.163 HD +ATOM 969 CA ARG 102 -33.802 13.942 61.076 0.00 0.00 0.176 C +ATOM 970 C ARG 102 -33.393 12.604 61.629 0.00 0.00 0.241 C +ATOM 971 O ARG 102 -34.229 11.717 61.796 0.00 0.00 -0.271 OA +ATOM 972 CB ARG 102 -33.856 14.962 62.228 0.00 0.00 0.036 C +ATOM 973 CG ARG 102 -34.668 16.196 61.830 0.00 0.00 0.023 C +ATOM 974 CD ARG 102 -33.841 17.473 61.992 0.00 0.00 0.138 C +ATOM 975 NE ARG 102 -32.844 17.572 60.902 0.00 0.00 -0.227 N +ATOM 976 HE ARG 102 -32.429 16.708 60.554 1.00 0.00 0.177 HD +ATOM 977 CZ ARG 102 -32.450 18.735 60.340 0.00 0.00 0.665 C +ATOM 978 NH1 ARG 102 -32.981 19.883 60.782 0.00 0.00 -0.235 N +ATOM 979 1HH1 ARG 102 -33.673 19.879 61.531 1.00 0.00 0.174 HD +ATOM 980 2HH1 ARG 102 -32.683 20.761 60.358 1.00 0.00 0.174 HD +ATOM 981 NH2 ARG 102 -31.541 18.740 59.356 0.00 0.00 -0.235 N +ATOM 982 1HH2 ARG 102 -31.137 17.866 59.020 1.00 0.00 0.174 HD +ATOM 983 2HH2 ARG 102 -31.243 19.618 58.932 1.00 0.00 0.174 HD +ATOM 984 N ALA 103 -32.092 12.426 61.855 0.00 0.00 -0.346 N +ATOM 985 HN ALA 103 -31.434 13.168 61.616 1.00 0.00 0.163 HD +ATOM 986 CA ALA 103 -31.597 11.185 62.439 0.00 0.00 0.172 C +ATOM 987 C ALA 103 -32.077 11.258 63.881 0.00 0.00 0.240 C +ATOM 988 O ALA 103 -32.113 12.352 64.478 0.00 0.00 -0.271 OA +ATOM 989 CB ALA 103 -30.060 11.121 62.377 0.00 0.00 0.042 C +ATOM 990 N GLU 104 -32.451 10.110 64.437 0.00 0.00 -0.346 N +ATOM 991 HN GLU 104 -32.391 9.251 63.891 1.00 0.00 0.163 HD +ATOM 992 CA GLU 104 -32.948 10.046 65.816 0.00 0.00 0.177 C +ATOM 993 C GLU 104 -31.855 10.229 66.870 0.00 0.00 0.241 C +ATOM 994 O GLU 104 -32.040 10.956 67.856 0.00 0.00 -0.271 OA +ATOM 995 CB GLU 104 -33.707 8.730 66.069 0.00 0.00 0.045 C +ATOM 996 CG GLU 104 -34.356 8.729 67.455 0.00 0.00 0.116 C +ATOM 997 CD GLU 104 -34.766 7.314 67.867 0.00 0.00 0.172 C +ATOM 998 OE1 GLU 104 -34.536 6.357 67.113 0.00 0.00 -0.648 OA +ATOM 999 OE2 GLU 104 -35.342 7.227 69.018 0.00 0.00 -0.648 OA +ATOM 1000 N LYS 105 -30.720 9.569 66.656 0.00 0.00 -0.346 N +ATOM 1001 HN LYS 105 -30.642 8.984 65.824 1.00 0.00 0.163 HD +ATOM 1002 CA LYS 105 -29.574 9.651 67.573 0.00 0.00 0.176 C +ATOM 1003 C LYS 105 -28.291 10.106 66.872 0.00 0.00 0.241 C +ATOM 1004 O LYS 105 -28.041 9.719 65.735 0.00 0.00 -0.271 OA +ATOM 1005 CB LYS 105 -29.302 8.278 68.214 0.00 0.00 0.035 C +ATOM 1006 CG LYS 105 -30.468 7.848 69.107 0.00 0.00 0.004 C +ATOM 1007 CD LYS 105 -30.161 6.525 69.810 0.00 0.00 0.027 C +ATOM 1008 CE LYS 105 -31.329 6.094 70.700 0.00 0.00 0.229 C +ATOM 1009 NZ LYS 105 -31.152 4.702 71.145 0.00 0.00 -0.079 N +ATOM 1010 HZ1 LYS 105 -31.930 4.415 71.738 1.00 0.00 0.274 HD +ATOM 1011 HZ2 LYS 105 -30.253 4.563 71.606 1.00 0.00 0.274 HD +ATOM 1012 HZ3 LYS 105 -31.020 4.066 70.358 1.00 0.00 0.274 HD +ATOM 1013 N VAL 106 -27.497 10.930 67.555 0.00 0.00 -0.346 N +ATOM 1014 HN VAL 106 -27.793 11.249 68.477 1.00 0.00 0.163 HD +ATOM 1015 CA VAL 106 -26.203 11.395 67.019 0.00 0.00 0.180 C +ATOM 1016 C VAL 106 -25.087 11.444 68.068 0.00 0.00 0.241 C +ATOM 1017 O VAL 106 -25.337 11.718 69.246 0.00 0.00 -0.271 OA +ATOM 1018 CB VAL 106 -26.268 12.789 66.368 0.00 0.00 0.009 C +ATOM 1019 CG1 VAL 106 -27.124 12.763 65.100 0.00 0.00 0.012 C +ATOM 1020 CG2 VAL 106 -26.787 13.833 67.359 0.00 0.00 0.012 C +ATOM 1021 N LYS 107 -23.867 11.126 67.631 0.00 0.00 -0.346 N +ATOM 1022 HN LYS 107 -23.753 10.818 66.665 1.00 0.00 0.163 HD +ATOM 1023 CA LYS 107 -22.682 11.206 68.498 0.00 0.00 0.176 C +ATOM 1024 C LYS 107 -21.741 12.213 67.856 0.00 0.00 0.241 C +ATOM 1025 O LYS 107 -21.385 12.064 66.694 0.00 0.00 -0.271 OA +ATOM 1026 CB LYS 107 -21.941 9.862 68.629 0.00 0.00 0.035 C +ATOM 1027 CG LYS 107 -20.771 9.974 69.607 0.00 0.00 0.004 C +ATOM 1028 CD LYS 107 -19.937 8.691 69.615 0.00 0.00 0.027 C +ATOM 1029 CE LYS 107 -18.729 8.828 70.543 0.00 0.00 0.229 C +ATOM 1030 NZ LYS 107 -17.878 7.629 70.462 0.00 0.00 -0.079 N +ATOM 1031 HZ1 LYS 107 -17.072 7.720 71.081 1.00 0.00 0.274 HD +ATOM 1032 HZ2 LYS 107 -17.598 7.427 69.502 1.00 0.00 0.274 HD +ATOM 1033 HZ3 LYS 107 -18.405 6.776 70.649 1.00 0.00 0.274 HD +ATOM 1034 N ILE 108 -21.415 13.283 68.564 0.00 0.00 -0.346 N +ATOM 1035 HN ILE 108 -21.803 13.415 69.498 1.00 0.00 0.163 HD +ATOM 1036 CA ILE 108 -20.503 14.269 68.007 0.00 0.00 0.180 C +ATOM 1037 C ILE 108 -19.263 14.490 68.892 0.00 0.00 0.241 C +ATOM 1038 O ILE 108 -19.168 14.014 70.020 0.00 0.00 -0.271 OA +ATOM 1039 CB ILE 108 -21.170 15.632 67.747 0.00 0.00 0.013 C +ATOM 1040 CG1 ILE 108 -21.575 16.304 69.061 0.00 0.00 0.002 C +ATOM 1041 CG2 ILE 108 -22.354 15.490 66.788 0.00 0.00 0.012 C +ATOM 1042 CD1 ILE 108 -21.693 17.820 68.889 0.00 0.00 0.005 C +ATOM 1043 N ARG 109 -18.328 15.242 68.350 0.00 0.00 -0.346 N +ATOM 1044 HN ARG 109 -18.472 15.591 67.402 1.00 0.00 0.163 HD +ATOM 1045 CA ARG 109 -17.108 15.595 69.036 0.00 0.00 0.176 C +ATOM 1046 C ARG 109 -17.050 17.092 68.786 0.00 0.00 0.241 C +ATOM 1047 O ARG 109 -17.470 17.544 67.718 0.00 0.00 -0.271 OA +ATOM 1048 CB ARG 109 -15.928 14.894 68.337 0.00 0.00 0.036 C +ATOM 1049 CG ARG 109 -14.590 15.428 68.852 0.00 0.00 0.023 C +ATOM 1050 CD ARG 109 -13.449 15.058 67.902 0.00 0.00 0.138 C +ATOM 1051 NE ARG 109 -13.306 13.587 67.833 0.00 0.00 -0.227 N +ATOM 1052 HE ARG 109 -13.808 13.025 68.521 1.00 0.00 0.177 HD +ATOM 1053 CZ ARG 109 -12.553 12.942 66.917 0.00 0.00 0.665 C +ATOM 1054 NH1 ARG 109 -11.884 13.660 66.004 0.00 0.00 -0.235 N +ATOM 1055 1HH1 ARG 109 -11.943 14.678 66.002 1.00 0.00 0.174 HD +ATOM 1056 2HH1 ARG 109 -11.315 13.173 65.312 1.00 0.00 0.174 HD +ATOM 1057 NH2 ARG 109 -12.475 11.604 66.920 0.00 0.00 -0.235 N +ATOM 1058 1HH2 ARG 109 -12.984 11.058 67.615 1.00 0.00 0.174 HD +ATOM 1059 2HH2 ARG 109 -11.906 11.117 66.228 1.00 0.00 0.174 HD +ATOM 1060 N ALA 110 -16.618 17.866 69.779 0.00 0.00 -0.346 N +ATOM 1061 HN ALA 110 -16.366 17.443 70.672 1.00 0.00 0.163 HD +ATOM 1062 CA ALA 110 -16.499 19.312 69.609 0.00 0.00 0.172 C +ATOM 1063 C ALA 110 -15.543 19.946 70.631 0.00 0.00 0.240 C +ATOM 1064 O ALA 110 -14.977 19.257 71.477 0.00 0.00 -0.271 OA +ATOM 1065 CB ALA 110 -17.887 19.973 69.697 0.00 0.00 0.042 C +ATOM 1066 N LEU 111 -15.323 21.249 70.509 0.00 0.00 -0.346 N +ATOM 1067 HN LEU 111 -15.753 21.753 69.734 1.00 0.00 0.163 HD +ATOM 1068 CA LEU 111 -14.483 21.983 71.452 0.00 0.00 0.177 C +ATOM 1069 C LEU 111 -15.455 22.842 72.253 0.00 0.00 0.241 C +ATOM 1070 O LEU 111 -16.381 23.408 71.673 0.00 0.00 -0.271 OA +ATOM 1071 CB LEU 111 -13.497 22.905 70.710 0.00 0.00 0.038 C +ATOM 1072 CG LEU 111 -12.668 22.249 69.604 0.00 0.00 -0.020 C +ATOM 1073 CD1 LEU 111 -11.675 23.244 69.001 0.00 0.00 0.009 C +ATOM 1074 CD2 LEU 111 -11.975 20.985 70.115 0.00 0.00 0.009 C +ATOM 1075 N ASP 112 -15.276 22.933 73.570 0.00 0.00 -0.346 N +ATOM 1076 HN ASP 112 -14.507 22.434 74.017 1.00 0.00 0.163 HD +ATOM 1077 CA ASP 112 -16.183 23.748 74.372 0.00 0.00 0.186 C +ATOM 1078 C ASP 112 -15.778 25.219 74.360 0.00 0.00 0.241 C +ATOM 1079 O ASP 112 -14.918 25.625 73.580 0.00 0.00 -0.271 OA +ATOM 1080 CB ASP 112 -16.357 23.195 75.799 0.00 0.00 0.147 C +ATOM 1081 CG ASP 112 -15.073 23.124 76.626 0.00 0.00 0.175 C +ATOM 1082 OD1 ASP 112 -14.187 23.984 76.506 0.00 0.00 -0.648 OA +ATOM 1083 OD2 ASP 112 -14.998 22.120 77.432 0.00 0.00 -0.648 OA +ATOM 1084 N ARG 113 -16.382 26.011 75.235 0.00 0.00 -0.346 N +ATOM 1085 HN ARG 113 -17.061 25.612 75.883 1.00 0.00 0.163 HD +ATOM 1086 CA ARG 113 -16.098 27.439 75.292 0.00 0.00 0.176 C +ATOM 1087 C ARG 113 -14.640 27.746 75.608 0.00 0.00 0.241 C +ATOM 1088 O ARG 113 -14.133 28.800 75.231 0.00 0.00 -0.271 OA +ATOM 1089 CB ARG 113 -17.015 28.132 76.317 0.00 0.00 0.036 C +ATOM 1090 CG ARG 113 -16.929 29.654 76.187 0.00 0.00 0.023 C +ATOM 1091 CD ARG 113 -17.954 30.340 77.094 0.00 0.00 0.138 C +ATOM 1092 NE ARG 113 -18.026 31.783 76.775 0.00 0.00 -0.227 N +ATOM 1093 HE ARG 113 -18.763 32.097 76.143 1.00 0.00 0.177 HD +ATOM 1094 CZ ARG 113 -17.178 32.711 77.268 0.00 0.00 0.665 C +ATOM 1095 NH1 ARG 113 -16.202 32.323 78.100 0.00 0.00 -0.235 N +ATOM 1096 1HH1 ARG 113 -15.561 33.024 78.472 1.00 0.00 0.174 HD +ATOM 1097 2HH1 ARG 113 -16.102 31.341 78.357 1.00 0.00 0.174 HD +ATOM 1098 NH2 ARG 113 -17.310 34.001 76.930 0.00 0.00 -0.235 N +ATOM 1099 1HH2 ARG 113 -16.669 34.702 77.302 1.00 0.00 0.174 HD +ATOM 1100 2HH2 ARG 113 -18.053 34.296 76.297 1.00 0.00 0.174 HD +ATOM 1101 N ASP 114 -13.979 26.831 76.308 0.00 0.00 -0.346 N +ATOM 1102 HN ASP 114 -14.465 25.981 76.594 1.00 0.00 0.163 HD +ATOM 1103 CA ASP 114 -12.579 27.004 76.680 0.00 0.00 0.186 C +ATOM 1104 C ASP 114 -11.655 26.310 75.684 0.00 0.00 0.241 C +ATOM 1105 O ASP 114 -10.478 26.109 75.968 0.00 0.00 -0.271 OA +ATOM 1106 CB ASP 114 -12.320 26.408 78.076 0.00 0.00 0.147 C +ATOM 1107 CG ASP 114 -13.236 26.933 79.183 0.00 0.00 0.175 C +ATOM 1108 OD1 ASP 114 -13.608 28.116 79.197 0.00 0.00 -0.648 OA +ATOM 1109 OD2 ASP 114 -13.575 26.061 80.071 0.00 0.00 -0.648 OA +ATOM 1110 N GLY 115 -12.197 25.906 74.539 0.00 0.00 -0.351 N +ATOM 1111 HN GLY 115 -13.185 26.081 74.357 1.00 0.00 0.163 HD +ATOM 1112 CA GLY 115 -11.394 25.219 73.548 0.00 0.00 0.225 C +ATOM 1113 C GLY 115 -11.142 23.756 73.863 0.00 0.00 0.236 C +ATOM 1114 O GLY 115 -10.520 23.055 73.069 0.00 0.00 -0.272 OA +ATOM 1115 N LYS 116 -11.625 23.278 75.003 0.00 0.00 -0.346 N +ATOM 1116 HN LYS 116 -12.141 23.895 75.631 1.00 0.00 0.163 HD +ATOM 1117 CA LYS 116 -11.425 21.878 75.368 0.00 0.00 0.177 C +ATOM 1118 C LYS 116 -12.361 20.929 74.606 0.00 0.00 0.247 C +ATOM 1119 O LYS 116 -13.577 21.125 74.577 0.00 0.00 -0.271 OA +ATOM 1120 CB LYS 116 -11.632 21.661 76.879 0.00 0.00 0.035 C +ATOM 1121 CG LYS 116 -10.883 22.718 77.692 0.00 0.00 0.004 C +ATOM 1122 CD LYS 116 -10.789 22.313 79.164 0.00 0.00 0.027 C +ATOM 1123 CE LYS 116 -10.089 23.396 79.988 0.00 0.00 0.229 C +ATOM 1124 NZ LYS 116 -10.963 24.570 80.145 0.00 0.00 -0.079 N +ATOM 1125 HZ1 LYS 116 -10.496 25.292 80.694 1.00 0.00 0.274 HD +ATOM 1126 HZ2 LYS 116 -11.869 24.318 80.541 1.00 0.00 0.274 HD +ATOM 1127 HZ3 LYS 116 -11.284 24.927 79.245 1.00 0.00 0.274 HD +ATOM 1128 N PRO 117 -11.795 19.918 73.938 0.00 0.00 -0.315 N +ATOM 1129 CA PRO 117 -12.572 18.934 73.179 0.00 0.00 0.082 C +ATOM 1130 C PRO 117 -13.430 18.055 74.091 0.00 0.00 0.265 C +ATOM 1131 O PRO 117 -13.031 17.735 75.214 0.00 0.00 -0.266 OA +ATOM 1132 CB PRO 117 -11.761 18.504 72.053 0.00 0.00 0.065 C +ATOM 1133 CG PRO 117 -10.332 18.861 72.430 0.00 0.00 0.026 C +ATOM 1134 CD PRO 117 -10.386 19.820 73.608 0.00 0.00 0.132 C +ATOM 1135 N PHE 118 -14.595 17.652 73.591 0.00 0.00 -0.342 N +ATOM 1136 HN PHE 118 -14.858 17.964 72.656 1.00 0.00 0.163 HD +ATOM 1137 CA PHE 118 -15.512 16.785 74.320 0.00 0.00 0.181 C +ATOM 1138 C PHE 118 -16.402 16.051 73.323 0.00 0.00 0.241 C +ATOM 1139 O PHE 118 -16.611 16.525 72.207 0.00 0.00 -0.271 OA +ATOM 1140 CB PHE 118 -16.368 17.583 75.321 0.00 0.00 0.073 C +ATOM 1141 CG PHE 118 -17.419 18.482 74.682 0.00 0.00 -0.056 A +ATOM 1142 CD1 PHE 118 -18.758 18.043 74.564 0.00 0.00 0.007 A +ATOM 1143 CD2 PHE 118 -17.057 19.760 74.197 0.00 0.00 0.007 A +ATOM 1144 CE1 PHE 118 -19.728 18.877 73.968 0.00 0.00 0.001 A +ATOM 1145 CE2 PHE 118 -18.028 20.593 73.601 0.00 0.00 0.001 A +ATOM 1146 CZ PHE 118 -19.363 20.152 73.487 0.00 0.00 0.000 A +ATOM 1147 N GLU 119 -16.842 14.858 73.705 0.00 0.00 -0.346 N +ATOM 1148 HN GLU 119 -16.542 14.495 74.610 1.00 0.00 0.163 HD +ATOM 1149 CA GLU 119 -17.732 14.045 72.892 0.00 0.00 0.177 C +ATOM 1150 C GLU 119 -19.113 14.048 73.556 0.00 0.00 0.241 C +ATOM 1151 O GLU 119 -19.223 14.057 74.791 0.00 0.00 -0.271 OA +ATOM 1152 CB GLU 119 -17.215 12.601 72.755 0.00 0.00 0.045 C +ATOM 1153 CG GLU 119 -16.004 12.538 71.822 0.00 0.00 0.116 C +ATOM 1154 CD GLU 119 -15.640 11.089 71.492 0.00 0.00 0.172 C +ATOM 1155 OE1 GLU 119 -16.039 10.169 72.220 0.00 0.00 -0.648 OA +ATOM 1156 OE2 GLU 119 -14.917 10.936 70.434 0.00 0.00 -0.648 OA +ATOM 1157 N LEU 120 -20.154 13.974 72.732 0.00 0.00 -0.346 N +ATOM 1158 HN LEU 120 -19.979 13.891 71.731 1.00 0.00 0.163 HD +ATOM 1159 CA LEU 120 -21.543 14.006 73.201 0.00 0.00 0.177 C +ATOM 1160 C LEU 120 -22.477 13.071 72.423 0.00 0.00 0.241 C +ATOM 1161 O LEU 120 -22.394 12.990 71.199 0.00 0.00 -0.271 OA +ATOM 1162 CB LEU 120 -22.068 15.449 73.081 0.00 0.00 0.038 C +ATOM 1163 CG LEU 120 -23.515 15.675 73.523 0.00 0.00 -0.020 C +ATOM 1164 CD1 LEU 120 -23.730 15.200 74.961 0.00 0.00 0.009 C +ATOM 1165 CD2 LEU 120 -23.924 17.137 73.335 0.00 0.00 0.009 C +ATOM 1166 N GLU 121 -23.333 12.348 73.149 0.00 0.00 -0.346 N +ATOM 1167 HN GLU 121 -23.298 12.422 74.166 1.00 0.00 0.163 HD +ATOM 1168 CA GLU 121 -24.320 11.452 72.542 0.00 0.00 0.177 C +ATOM 1169 C GLU 121 -25.658 12.120 72.796 0.00 0.00 0.241 C +ATOM 1170 O GLU 121 -25.976 12.472 73.926 0.00 0.00 -0.271 OA +ATOM 1171 CB GLU 121 -24.262 10.036 73.144 0.00 0.00 0.045 C +ATOM 1172 CG GLU 121 -22.994 9.303 72.701 0.00 0.00 0.116 C +ATOM 1173 CD GLU 121 -23.112 7.799 72.956 0.00 0.00 0.172 C +ATOM 1174 OE1 GLU 121 -23.526 7.049 72.059 0.00 0.00 -0.648 OA +ATOM 1175 OE2 GLU 121 -22.755 7.416 74.134 0.00 0.00 -0.648 OA +ATOM 1176 N ALA 122 -26.378 12.433 71.732 0.00 0.00 -0.346 N +ATOM 1177 HN ALA 122 -26.037 12.192 70.801 1.00 0.00 0.163 HD +ATOM 1178 CA ALA 122 -27.647 13.116 71.879 0.00 0.00 0.172 C +ATOM 1179 C ALA 122 -28.780 12.280 71.309 0.00 0.00 0.240 C +ATOM 1180 O ALA 122 -28.570 11.456 70.417 0.00 0.00 -0.271 OA +ATOM 1181 CB ALA 122 -27.585 14.506 71.219 0.00 0.00 0.042 C +ATOM 1182 N ASP 123 -29.967 12.483 71.875 0.00 0.00 -0.346 N +ATOM 1183 HN ASP 123 -30.026 13.178 72.620 1.00 0.00 0.163 HD +ATOM 1184 CA ASP 123 -31.197 11.776 71.501 0.00 0.00 0.186 C +ATOM 1185 C ASP 123 -32.301 12.821 71.639 0.00 0.00 0.241 C +ATOM 1186 O ASP 123 -32.051 13.908 72.168 0.00 0.00 -0.271 OA +ATOM 1187 CB ASP 123 -31.431 10.644 72.518 0.00 0.00 0.147 C +ATOM 1188 CG ASP 123 -32.594 9.706 72.186 0.00 0.00 0.175 C +ATOM 1189 OD1 ASP 123 -33.265 9.861 71.154 0.00 0.00 -0.648 OA +ATOM 1190 OD2 ASP 123 -32.804 8.771 73.049 0.00 0.00 -0.648 OA +ATOM 1191 N GLY 124 -33.501 12.519 71.147 0.00 0.00 -0.351 N +ATOM 1192 HN GLY 124 -33.643 11.629 70.670 1.00 0.00 0.163 HD +ATOM 1193 CA GLY 124 -34.611 13.448 71.285 0.00 0.00 0.225 C +ATOM 1194 C GLY 124 -34.424 14.818 70.656 0.00 0.00 0.236 C +ATOM 1195 O GLY 124 -33.866 14.942 69.548 0.00 0.00 -0.272 OA +ATOM 1196 N LEU 125 -34.826 15.851 71.393 0.00 0.00 -0.346 N +ATOM 1197 HN LEU 125 -35.200 15.678 72.326 1.00 0.00 0.163 HD +ATOM 1198 CA LEU 125 -34.748 17.215 70.908 0.00 0.00 0.177 C +ATOM 1199 C LEU 125 -33.324 17.756 70.728 0.00 0.00 0.241 C +ATOM 1200 O LEU 125 -33.099 18.614 69.854 0.00 0.00 -0.271 OA +ATOM 1201 CB LEU 125 -35.550 18.156 71.826 0.00 0.00 0.038 C +ATOM 1202 CG LEU 125 -35.600 19.625 71.402 0.00 0.00 -0.020 C +ATOM 1203 CD1 LEU 125 -36.275 19.780 70.037 0.00 0.00 0.009 C +ATOM 1204 CD2 LEU 125 -36.273 20.483 72.475 0.00 0.00 0.009 C +ATOM 1205 N LEU 126 -32.398 17.329 71.597 0.00 0.00 -0.346 N +ATOM 1206 HN LEU 126 -32.676 16.685 72.338 1.00 0.00 0.163 HD +ATOM 1207 CA LEU 126 -30.988 17.761 71.517 0.00 0.00 0.177 C +ATOM 1208 C LEU 126 -30.426 17.290 70.179 0.00 0.00 0.241 C +ATOM 1209 O LEU 126 -29.912 18.096 69.433 0.00 0.00 -0.271 OA +ATOM 1210 CB LEU 126 -30.143 17.210 72.681 0.00 0.00 0.038 C +ATOM 1211 CG LEU 126 -28.683 17.665 72.724 0.00 0.00 -0.020 C +ATOM 1212 CD1 LEU 126 -28.586 19.176 72.944 0.00 0.00 0.009 C +ATOM 1213 CD2 LEU 126 -27.895 16.881 73.775 0.00 0.00 0.009 C +ATOM 1214 N ALA 127 -30.633 16.014 69.847 0.00 0.00 -0.346 N +ATOM 1215 HN ALA 127 -31.140 15.423 70.506 1.00 0.00 0.163 HD +ATOM 1216 CA ALA 127 -30.174 15.410 68.588 0.00 0.00 0.172 C +ATOM 1217 C ALA 127 -30.642 16.123 67.319 0.00 0.00 0.240 C +ATOM 1218 O ALA 127 -29.888 16.241 66.334 0.00 0.00 -0.271 OA +ATOM 1219 CB ALA 127 -30.595 13.930 68.538 0.00 0.00 0.042 C +ATOM 1220 N ILE 128 -31.900 16.564 67.348 0.00 0.00 -0.346 N +ATOM 1221 HN ILE 128 -32.445 16.387 68.192 1.00 0.00 0.163 HD +ATOM 1222 CA ILE 128 -32.553 17.283 66.256 0.00 0.00 0.180 C +ATOM 1223 C ILE 128 -32.022 18.718 66.174 0.00 0.00 0.241 C +ATOM 1224 O ILE 128 -31.841 19.282 65.088 0.00 0.00 -0.271 OA +ATOM 1225 CB ILE 128 -34.073 17.293 66.502 0.00 0.00 0.013 C +ATOM 1226 CG1 ILE 128 -34.693 15.938 66.155 0.00 0.00 0.002 C +ATOM 1227 CG2 ILE 128 -34.744 18.441 65.745 0.00 0.00 0.012 C +ATOM 1228 CD1 ILE 128 -36.107 15.819 66.728 0.00 0.00 0.005 C +ATOM 1229 N CYS 129 -31.828 19.321 67.338 0.00 0.00 -0.345 N +ATOM 1230 HN CYS 129 -32.042 18.811 68.195 1.00 0.00 0.163 HD +ATOM 1231 CA CYS 129 -31.320 20.687 67.442 0.00 0.00 0.185 C +ATOM 1232 C CYS 129 -29.870 20.785 66.908 0.00 0.00 0.241 C +ATOM 1233 O CYS 129 -29.570 21.636 66.064 0.00 0.00 -0.271 OA +ATOM 1234 CB CYS 129 -31.396 21.141 68.912 0.00 0.00 0.105 C +ATOM 1235 SG CYS 129 -30.697 22.786 69.238 0.00 0.00 -0.180 SA +ATOM 1236 HSG CYS 129 -30.784 23.012 70.217 0.00 0.00 0.101 HD +ATOM 1237 N ILE 130 -29.007 19.876 67.369 0.00 0.00 -0.346 N +ATOM 1238 HN ILE 130 -29.333 19.202 68.062 1.00 0.00 0.163 HD +ATOM 1239 CA ILE 130 -27.614 19.805 66.924 0.00 0.00 0.180 C +ATOM 1240 C ILE 130 -27.592 19.714 65.392 0.00 0.00 0.241 C +ATOM 1241 O ILE 130 -26.929 20.507 64.728 0.00 0.00 -0.271 OA +ATOM 1242 CB ILE 130 -26.913 18.562 67.502 0.00 0.00 0.013 C +ATOM 1243 CG1 ILE 130 -26.590 18.754 68.985 0.00 0.00 0.002 C +ATOM 1244 CG2 ILE 130 -25.669 18.205 66.686 0.00 0.00 0.012 C +ATOM 1245 CD1 ILE 130 -25.812 17.558 69.537 0.00 0.00 0.005 C +ATOM 1246 N GLN 131 -28.387 18.799 64.835 0.00 0.00 -0.346 N +ATOM 1247 HN GLN 131 -28.967 18.214 65.436 1.00 0.00 0.163 HD +ATOM 1248 CA GLN 131 -28.449 18.612 63.391 0.00 0.00 0.177 C +ATOM 1249 C GLN 131 -28.892 19.844 62.661 0.00 0.00 0.241 C +ATOM 1250 O GLN 131 -28.413 20.128 61.573 0.00 0.00 -0.271 OA +ATOM 1251 CB GLN 131 -29.396 17.457 63.016 0.00 0.00 0.044 C +ATOM 1252 CG GLN 131 -28.801 16.107 63.421 0.00 0.00 0.105 C +ATOM 1253 CD GLN 131 -29.822 14.981 63.240 0.00 0.00 0.215 C +ATOM 1254 OE1 GLN 131 -30.105 14.535 62.141 0.00 0.00 -0.274 OA +ATOM 1255 NE2 GLN 131 -30.357 14.550 64.379 0.00 0.00 -0.370 N +ATOM 1256 1HE2 GLN 131 -30.120 14.923 65.298 1.00 0.00 0.159 HD +ATOM 1257 2HE2 GLN 131 -31.037 13.800 64.258 1.00 0.00 0.159 HD +ATOM 1258 N HIZ 132 -29.793 20.599 63.266 0.00 0.00 -0.346 N +ATOM 1259 HN HIZ 132 -30.121 20.339 64.196 1.00 0.00 0.163 HD +ATOM 1260 CA HIZ 132 -30.323 21.790 62.631 0.00 0.00 0.182 C +ATOM 1261 C HIZ 132 -29.308 22.952 62.674 0.00 0.00 0.241 C +ATOM 1262 O HIZ 132 -29.212 23.745 61.730 0.00 0.00 -0.271 OA +ATOM 1263 CB HIZ 132 -31.675 22.091 63.304 0.00 0.00 0.093 C +ATOM 1264 CG HIZ 132 -32.164 23.504 63.095 0.00 0.00 0.028 A +ATOM 1265 ND1 HIZ 132 -33.326 23.801 62.403 0.00 0.00 -0.354 N +ATOM 1266 HD1 HIZ 132 -33.956 23.122 61.975 1.00 0.00 0.166 HD +ATOM 1267 CD2 HIZ 132 -31.638 24.698 63.494 0.00 0.00 0.114 A +ATOM 1268 CE1 HIZ 132 -33.481 25.117 62.392 0.00 0.00 0.180 A +ATOM 1269 NE2 HIZ 132 -32.434 25.671 63.068 0.00 0.00 -0.360 N +ATOM 1270 HE2 HIZ 132 -32.287 26.669 63.221 1.00 0.00 0.166 HD +ATOM 1271 N GLU 133 -28.560 23.063 63.769 0.00 0.00 -0.346 N +ATOM 1272 HN GLU 133 -28.693 22.409 64.540 1.00 0.00 0.163 HD +ATOM 1273 CA GLU 133 -27.546 24.117 63.877 0.00 0.00 0.177 C +ATOM 1274 C GLU 133 -26.351 23.807 62.936 0.00 0.00 0.241 C +ATOM 1275 O GLU 133 -25.948 24.668 62.153 0.00 0.00 -0.271 OA +ATOM 1276 CB GLU 133 -27.042 24.272 65.324 0.00 0.00 0.045 C +ATOM 1277 CG GLU 133 -28.208 24.497 66.289 0.00 0.00 0.116 C +ATOM 1278 CD GLU 133 -29.074 25.674 65.838 0.00 0.00 0.172 C +ATOM 1279 OE1 GLU 133 -28.760 26.325 64.830 0.00 0.00 -0.648 OA +ATOM 1280 OE2 GLU 133 -30.108 25.905 66.574 0.00 0.00 -0.648 OA +ATOM 1281 N MET 134 -25.840 22.573 62.998 0.00 0.00 -0.346 N +ATOM 1282 HN MET 134 -26.232 21.916 63.673 1.00 0.00 0.163 HD +ATOM 1283 CA MET 134 -24.738 22.121 62.136 0.00 0.00 0.177 C +ATOM 1284 C MET 134 -25.081 22.366 60.669 0.00 0.00 0.241 C +ATOM 1285 O MET 134 -24.222 22.810 59.890 0.00 0.00 -0.271 OA +ATOM 1286 CB MET 134 -24.405 20.639 62.387 0.00 0.00 0.045 C +ATOM 1287 CG MET 134 -23.651 20.462 63.706 0.00 0.00 0.076 C +ATOM 1288 SD MET 134 -23.003 18.769 63.831 0.00 0.00 -0.173 SA +ATOM 1289 CE MET 134 -21.860 18.763 62.418 0.00 0.00 0.089 C +ATOM 1290 N ASP 135 -26.353 22.163 60.302 0.00 0.00 -0.346 N +ATOM 1291 HN ASP 135 -27.028 21.832 60.991 1.00 0.00 0.163 HD +ATOM 1292 CA ASP 135 -26.788 22.409 58.925 0.00 0.00 0.186 C +ATOM 1293 C ASP 135 -26.551 23.868 58.576 0.00 0.00 0.241 C +ATOM 1294 O ASP 135 -26.255 24.223 57.440 0.00 0.00 -0.271 OA +ATOM 1295 CB ASP 135 -28.289 22.118 58.744 0.00 0.00 0.147 C +ATOM 1296 CG ASP 135 -28.626 20.680 58.346 0.00 0.00 0.175 C +ATOM 1297 OD1 ASP 135 -27.748 19.805 58.311 0.00 0.00 -0.648 OA +ATOM 1298 OD2 ASP 135 -29.866 20.469 58.060 0.00 0.00 -0.648 OA +ATOM 1299 N HIZ 136 -26.726 24.725 59.559 0.00 0.00 -0.346 N +ATOM 1300 HN HIZ 136 -26.996 24.384 60.482 1.00 0.00 0.163 HD +ATOM 1301 CA HIZ 136 -26.541 26.139 59.349 0.00 0.00 0.182 C +ATOM 1302 C HIZ 136 -25.130 26.513 58.934 0.00 0.00 0.241 C +ATOM 1303 O HIZ 136 -24.947 27.291 57.995 0.00 0.00 -0.271 OA +ATOM 1304 CB HIZ 136 -26.961 26.917 60.610 0.00 0.00 0.093 C +ATOM 1305 CG HIZ 136 -28.357 27.488 60.542 0.00 0.00 0.028 A +ATOM 1306 ND1 HIZ 136 -28.767 28.350 59.540 0.00 0.00 -0.354 N +ATOM 1307 HD1 HIZ 136 -28.192 28.681 58.766 1.00 0.00 0.166 HD +ATOM 1308 CD2 HIZ 136 -29.433 27.311 61.362 0.00 0.00 0.114 A +ATOM 1309 CE1 HIZ 136 -30.034 28.672 59.757 0.00 0.00 0.180 A +ATOM 1310 NE2 HIZ 136 -30.445 28.027 60.887 0.00 0.00 -0.360 N +ATOM 1311 HE2 HIZ 136 -31.376 28.085 61.299 1.00 0.00 0.166 HD +ATOM 1312 N LEU 137 -24.144 25.922 59.603 0.00 0.00 -0.346 N +ATOM 1313 HN LEU 137 -24.381 25.250 60.333 1.00 0.00 0.163 HD +ATOM 1314 CA LEU 137 -22.729 26.198 59.333 0.00 0.00 0.177 C +ATOM 1315 C LEU 137 -22.310 25.822 57.916 0.00 0.00 0.241 C +ATOM 1316 O LEU 137 -21.278 26.253 57.436 0.00 0.00 -0.271 OA +ATOM 1317 CB LEU 137 -21.842 25.483 60.369 0.00 0.00 0.038 C +ATOM 1318 CG LEU 137 -22.058 25.887 61.829 0.00 0.00 -0.020 C +ATOM 1319 CD1 LEU 137 -21.296 24.956 62.774 0.00 0.00 0.009 C +ATOM 1320 CD2 LEU 137 -21.690 27.355 62.052 0.00 0.00 0.009 C +ATOM 1321 N VAL 138 -23.125 25.017 57.246 0.00 0.00 -0.346 N +ATOM 1322 HN VAL 138 -23.968 24.670 57.703 1.00 0.00 0.163 HD +ATOM 1323 CA VAL 138 -22.848 24.620 55.885 0.00 0.00 0.180 C +ATOM 1324 C VAL 138 -23.847 25.244 54.898 0.00 0.00 0.241 C +ATOM 1325 O VAL 138 -24.026 24.746 53.793 0.00 0.00 -0.271 OA +ATOM 1326 CB VAL 138 -22.748 23.091 55.731 0.00 0.00 0.009 C +ATOM 1327 CG1 VAL 138 -21.576 22.534 56.541 0.00 0.00 0.012 C +ATOM 1328 CG2 VAL 138 -24.061 22.413 56.128 0.00 0.00 0.012 C +ATOM 1329 N GLY 139 -24.452 26.363 55.293 0.00 0.00 -0.351 N +ATOM 1330 HN GLY 139 -24.242 26.741 56.217 1.00 0.00 0.163 HD +ATOM 1331 CA GLY 139 -25.407 27.063 54.441 0.00 0.00 0.225 C +ATOM 1332 C GLY 139 -26.700 26.327 54.098 0.00 0.00 0.236 C +ATOM 1333 O GLY 139 -27.301 26.594 53.057 0.00 0.00 -0.272 OA +ATOM 1334 N LYS 140 -27.131 25.421 54.978 0.00 0.00 -0.346 N +ATOM 1335 HN LYS 140 -26.594 25.274 55.833 1.00 0.00 0.163 HD +ATOM 1336 CA LYS 140 -28.341 24.633 54.764 0.00 0.00 0.176 C +ATOM 1337 C LYS 140 -29.430 25.007 55.768 0.00 0.00 0.241 C +ATOM 1338 O LYS 140 -29.159 25.266 56.943 0.00 0.00 -0.271 OA +ATOM 1339 CB LYS 140 -28.026 23.128 54.854 0.00 0.00 0.035 C +ATOM 1340 CG LYS 140 -29.222 22.290 54.400 0.00 0.00 0.004 C +ATOM 1341 CD LYS 140 -28.974 20.800 54.649 0.00 0.00 0.027 C +ATOM 1342 CE LYS 140 -27.912 20.254 53.693 0.00 0.00 0.229 C +ATOM 1343 NZ LYS 140 -27.890 18.783 53.733 0.00 0.00 -0.079 N +ATOM 1344 HZ1 LYS 140 -27.182 18.419 53.096 1.00 0.00 0.274 HD +ATOM 1345 HZ2 LYS 140 -28.810 18.385 53.545 1.00 0.00 0.274 HD +ATOM 1346 HZ3 LYS 140 -27.763 18.431 54.682 1.00 0.00 0.274 HD +ATOM 1347 N LEU 141 -30.666 25.049 55.274 0.00 0.00 -0.346 N +ATOM 1348 HN LEU 141 -30.807 24.812 54.292 1.00 0.00 0.163 HD +ATOM 1349 CA LEU 141 -31.828 25.420 56.076 0.00 0.00 0.177 C +ATOM 1350 C LEU 141 -32.853 24.277 56.030 0.00 0.00 0.241 C +ATOM 1351 O LEU 141 -32.900 23.545 55.039 0.00 0.00 -0.271 OA +ATOM 1352 CB LEU 141 -32.418 26.721 55.500 0.00 0.00 0.038 C +ATOM 1353 CG LEU 141 -31.449 27.898 55.373 0.00 0.00 -0.020 C +ATOM 1354 CD1 LEU 141 -32.082 29.046 54.584 0.00 0.00 0.009 C +ATOM 1355 CD2 LEU 141 -30.954 28.352 56.747 0.00 0.00 0.009 C +ATOM 1356 N PHE 142 -33.656 24.113 57.090 0.00 0.00 -0.346 N +ATOM 1357 HN PHE 142 -33.570 24.759 57.875 1.00 0.00 0.163 HD +ATOM 1358 CA PHE 142 -34.666 23.027 57.165 0.00 0.00 0.180 C +ATOM 1359 C PHE 142 -35.662 22.911 55.979 0.00 0.00 0.241 C +ATOM 1360 O PHE 142 -36.063 21.799 55.569 0.00 0.00 -0.271 OA +ATOM 1361 CB PHE 142 -35.395 23.039 58.521 0.00 0.00 0.073 C +ATOM 1362 CG PHE 142 -36.524 24.055 58.626 0.00 0.00 -0.056 A +ATOM 1363 CD1 PHE 142 -37.749 23.835 57.953 0.00 0.00 0.007 A +ATOM 1364 CD2 PHE 142 -36.351 25.230 59.394 0.00 0.00 0.007 A +ATOM 1365 CE1 PHE 142 -38.791 24.782 58.050 0.00 0.00 0.001 A +ATOM 1366 CE2 PHE 142 -37.394 26.176 59.490 0.00 0.00 0.001 A +ATOM 1367 CZ PHE 142 -38.614 25.952 58.818 0.00 0.00 0.000 A +ATOM 1368 N MET 143 -36.014 24.051 55.389 0.00 0.00 -0.346 N +ATOM 1369 HN MET 143 -35.638 24.934 55.733 1.00 0.00 0.163 HD +ATOM 1370 CA MET 143 -36.923 24.051 54.266 0.00 0.00 0.177 C +ATOM 1371 C MET 143 -36.339 23.390 53.015 0.00 0.00 0.241 C +ATOM 1372 O MET 143 -37.100 22.941 52.156 0.00 0.00 -0.271 OA +ATOM 1373 CB MET 143 -37.422 25.478 53.972 0.00 0.00 0.045 C +ATOM 1374 CG MET 143 -36.261 26.397 53.587 0.00 0.00 0.076 C +ATOM 1375 SD MET 143 -36.891 28.041 53.140 0.00 0.00 -0.173 SA +ATOM 1376 CE MET 143 -37.862 27.616 51.664 0.00 0.00 0.089 C +ATOM 1377 N ASP 144 -35.009 23.240 52.951 0.00 0.00 -0.346 N +ATOM 1378 HN ASP 144 -34.437 23.572 53.728 1.00 0.00 0.163 HD +ATOM 1379 CA ASP 144 -34.342 22.609 51.791 0.00 0.00 0.186 C +ATOM 1380 C ASP 144 -34.730 21.158 51.698 0.00 0.00 0.241 C +ATOM 1381 O ASP 144 -34.539 20.521 50.659 0.00 0.00 -0.271 OA +ATOM 1382 CB ASP 144 -32.807 22.652 51.903 0.00 0.00 0.147 C +ATOM 1383 CG ASP 144 -32.198 24.056 51.915 0.00 0.00 0.175 C +ATOM 1384 OD1 ASP 144 -32.771 25.005 51.359 0.00 0.00 -0.648 OA +ATOM 1385 OD2 ASP 144 -31.072 24.156 52.535 0.00 0.00 -0.648 OA +ATOM 1386 N TYR 145 -35.199 20.626 52.822 0.00 0.00 -0.346 N +ATOM 1387 HN TYR 145 -35.255 21.218 53.651 1.00 0.00 0.163 HD +ATOM 1388 CA TYR 145 -35.640 19.233 52.932 0.00 0.00 0.180 C +ATOM 1389 C TYR 145 -37.030 19.017 52.337 0.00 0.00 0.241 C +ATOM 1390 O TYR 145 -37.394 17.898 51.978 0.00 0.00 -0.271 OA +ATOM 1391 CB TYR 145 -35.676 18.809 54.412 0.00 0.00 0.073 C +ATOM 1392 CG TYR 145 -34.309 18.542 55.026 0.00 0.00 -0.056 A +ATOM 1393 CD1 TYR 145 -33.726 19.479 55.910 0.00 0.00 0.010 A +ATOM 1394 CD2 TYR 145 -33.611 17.354 54.708 0.00 0.00 0.010 A +ATOM 1395 CE1 TYR 145 -32.457 19.228 56.474 0.00 0.00 0.037 A +ATOM 1396 CE2 TYR 145 -32.342 17.103 55.272 0.00 0.00 0.037 A +ATOM 1397 CZ TYR 145 -31.764 18.039 56.156 0.00 0.00 0.065 A +ATOM 1398 OH TYR 145 -30.535 17.792 56.700 0.00 0.00 -0.361 OA +ATOM 1399 HOH TYR 145 -30.297 18.516 57.267 0.00 0.00 0.217 HD +ATOM 1400 N LEU 146 -37.789 20.103 52.250 0.00 0.00 -0.346 N +ATOM 1401 HN LEU 146 -37.390 20.995 52.541 1.00 0.00 0.163 HD +ATOM 1402 CA LEU 146 -39.165 20.088 51.760 0.00 0.00 0.177 C +ATOM 1403 C LEU 146 -39.327 20.064 50.226 0.00 0.00 0.241 C +ATOM 1404 O LEU 146 -38.355 20.255 49.471 0.00 0.00 -0.271 OA +ATOM 1405 CB LEU 146 -39.933 21.258 52.403 0.00 0.00 0.038 C +ATOM 1406 CG LEU 146 -39.693 21.477 53.898 0.00 0.00 -0.020 C +ATOM 1407 CD1 LEU 146 -40.519 22.655 54.419 0.00 0.00 0.009 C +ATOM 1408 CD2 LEU 146 -39.959 20.196 54.690 0.00 0.00 0.009 C +ATOM 1409 N SER 147 -40.548 19.763 49.775 0.00 0.00 -0.344 N +ATOM 1410 HN SER 147 -41.288 19.574 50.451 1.00 0.00 0.163 HD +ATOM 1411 CA SER 147 -40.863 19.695 48.349 0.00 0.00 0.200 C +ATOM 1412 C SER 147 -40.856 21.104 47.766 0.00 0.00 0.249 C +ATOM 1413 O SER 147 -40.978 22.087 48.508 0.00 0.00 -0.271 OA +ATOM 1414 CB SER 147 -42.255 19.070 48.140 0.00 0.00 0.199 C +ATOM 1415 OG SER 147 -43.302 20.007 48.380 0.00 0.00 -0.398 OA +ATOM 1416 HOG SER 147 -44.138 19.579 48.240 0.00 0.00 0.209 HD +ATOM 1417 N PRO 148 -40.762 21.220 46.426 0.00 0.00 -0.315 N +ATOM 1418 CA PRO 148 -40.745 22.519 45.737 0.00 0.00 0.082 C +ATOM 1419 C PRO 148 -41.975 23.350 46.082 0.00 0.00 0.265 C +ATOM 1420 O PRO 148 -41.870 24.544 46.357 0.00 0.00 -0.266 OA +ATOM 1421 CB PRO 148 -40.173 22.305 44.419 0.00 0.00 0.065 C +ATOM 1422 CG PRO 148 -40.314 20.815 44.153 0.00 0.00 0.026 C +ATOM 1423 CD PRO 148 -40.634 20.134 45.474 0.00 0.00 0.132 C +ATOM 1424 N LEU 149 -43.133 22.696 46.120 0.00 0.00 -0.343 N +ATOM 1425 HN LEU 149 -43.144 21.695 45.926 1.00 0.00 0.163 HD +ATOM 1426 CA LEU 149 -44.387 23.372 46.431 0.00 0.00 0.177 C +ATOM 1427 C LEU 149 -44.411 23.891 47.865 0.00 0.00 0.241 C +ATOM 1428 O LEU 149 -44.881 25.002 48.113 0.00 0.00 -0.271 OA +ATOM 1429 CB LEU 149 -45.589 22.440 46.188 0.00 0.00 0.038 C +ATOM 1430 CG LEU 149 -45.587 21.674 44.864 0.00 0.00 -0.020 C +ATOM 1431 CD1 LEU 149 -45.140 20.225 45.069 0.00 0.00 0.009 C +ATOM 1432 CD2 LEU 149 -46.952 21.761 44.178 0.00 0.00 0.009 C +ATOM 1433 N LYS 150 -43.918 23.095 48.814 0.00 0.00 -0.346 N +ATOM 1434 HN LYS 150 -43.544 22.178 48.571 1.00 0.00 0.163 HD +ATOM 1435 CA LYS 150 -43.917 23.544 50.201 0.00 0.00 0.176 C +ATOM 1436 C LYS 150 -42.913 24.654 50.389 0.00 0.00 0.241 C +ATOM 1437 O LYS 150 -43.158 25.614 51.118 0.00 0.00 -0.271 OA +ATOM 1438 CB LYS 150 -43.581 22.405 51.181 0.00 0.00 0.035 C +ATOM 1439 CG LYS 150 -44.091 22.722 52.587 0.00 0.00 0.004 C +ATOM 1440 CD LYS 150 -45.595 22.464 52.696 0.00 0.00 0.027 C +ATOM 1441 CE LYS 150 -45.924 21.002 52.385 0.00 0.00 0.229 C +ATOM 1442 NZ LYS 150 -47.380 20.786 52.406 0.00 0.00 -0.079 N +ATOM 1443 HZ1 LYS 150 -47.599 19.812 52.199 1.00 0.00 0.274 HD +ATOM 1444 HZ2 LYS 150 -47.868 21.426 51.779 1.00 0.00 0.274 HD +ATOM 1445 HZ3 LYS 150 -47.796 21.089 53.287 1.00 0.00 0.274 HD +ATOM 1446 N GLN 151 -41.755 24.490 49.759 0.00 0.00 -0.346 N +ATOM 1447 HN GLN 151 -41.600 23.640 49.216 1.00 0.00 0.163 HD +ATOM 1448 CA GLN 151 -40.706 25.489 49.824 0.00 0.00 0.177 C +ATOM 1449 C GLN 151 -41.294 26.750 49.262 0.00 0.00 0.241 C +ATOM 1450 O GLN 151 -41.068 27.825 49.795 0.00 0.00 -0.271 OA +ATOM 1451 CB GLN 151 -39.488 25.078 48.976 0.00 0.00 0.044 C +ATOM 1452 CG GLN 151 -38.764 23.883 49.599 0.00 0.00 0.105 C +ATOM 1453 CD GLN 151 -37.311 23.814 49.125 0.00 0.00 0.215 C +ATOM 1454 OE1 GLN 151 -36.587 24.796 49.113 0.00 0.00 -0.274 OA +ATOM 1455 NE2 GLN 151 -36.926 22.602 48.736 0.00 0.00 -0.370 N +ATOM 1456 1HE2 GLN 151 -37.531 21.781 48.746 1.00 0.00 0.159 HD +ATOM 1457 2HE2 GLN 151 -35.957 22.556 48.420 1.00 0.00 0.159 HD +ATOM 1458 N GLN 152 -42.084 26.606 48.203 0.00 0.00 -0.346 N +ATOM 1459 HN GLN 152 -42.241 25.675 47.817 1.00 0.00 0.163 HD +ATOM 1460 CA GLN 152 -42.731 27.758 47.583 0.00 0.00 0.177 C +ATOM 1461 C GLN 152 -43.705 28.465 48.538 0.00 0.00 0.241 C +ATOM 1462 O GLN 152 -43.699 29.700 48.651 0.00 0.00 -0.271 OA +ATOM 1463 CB GLN 152 -43.482 27.333 46.307 0.00 0.00 0.044 C +ATOM 1464 CG GLN 152 -44.199 28.525 45.670 0.00 0.00 0.105 C +ATOM 1465 CD GLN 152 -45.212 28.060 44.622 0.00 0.00 0.215 C +ATOM 1466 OE1 GLN 152 -45.427 26.877 44.412 0.00 0.00 -0.274 OA +ATOM 1467 NE2 GLN 152 -45.820 29.052 43.980 0.00 0.00 -0.370 N +ATOM 1468 1HE2 GLN 152 -45.640 30.041 44.155 1.00 0.00 0.159 HD +ATOM 1469 2HE2 GLN 152 -46.495 28.742 43.281 1.00 0.00 0.159 HD +ATOM 1470 N ARG 153 -44.541 27.679 49.215 0.00 0.00 -0.346 N +ATOM 1471 HN ARG 153 -44.504 26.671 49.063 1.00 0.00 0.163 HD +ATOM 1472 CA ARG 153 -45.511 28.215 50.170 0.00 0.00 0.176 C +ATOM 1473 C ARG 153 -44.812 28.885 51.365 0.00 0.00 0.241 C +ATOM 1474 O ARG 153 -45.277 29.916 51.859 0.00 0.00 -0.271 OA +ATOM 1475 CB ARG 153 -46.470 27.107 50.645 0.00 0.00 0.036 C +ATOM 1476 CG ARG 153 -47.167 26.440 49.457 0.00 0.00 0.023 C +ATOM 1477 CD ARG 153 -48.119 25.339 49.929 0.00 0.00 0.138 C +ATOM 1478 NE ARG 153 -48.780 24.709 48.765 0.00 0.00 -0.227 N +ATOM 1479 HE ARG 153 -48.543 25.055 47.835 1.00 0.00 0.177 HD +ATOM 1480 CZ ARG 153 -49.678 23.704 48.856 0.00 0.00 0.665 C +ATOM 1481 NH1 ARG 153 -50.005 23.233 50.067 0.00 0.00 -0.235 N +ATOM 1482 1HH1 ARG 153 -49.582 23.627 50.907 1.00 0.00 0.174 HD +ATOM 1483 2HH1 ARG 153 -50.683 22.474 50.136 1.00 0.00 0.174 HD +ATOM 1484 NH2 ARG 153 -50.233 23.186 47.752 0.00 0.00 -0.235 N +ATOM 1485 1HH2 ARG 153 -49.984 23.545 46.830 1.00 0.00 0.174 HD +ATOM 1486 2HH2 ARG 153 -50.911 22.427 47.821 1.00 0.00 0.174 HD +ATOM 1487 N ILE 154 -43.699 28.308 51.824 0.00 0.00 -0.346 N +ATOM 1488 HN ILE 154 -43.368 27.447 51.389 1.00 0.00 0.163 HD +ATOM 1489 CA ILE 154 -42.942 28.884 52.939 0.00 0.00 0.180 C +ATOM 1490 C ILE 154 -42.393 30.250 52.524 0.00 0.00 0.241 C +ATOM 1491 O ILE 154 -42.532 31.236 53.256 0.00 0.00 -0.271 OA +ATOM 1492 CB ILE 154 -41.753 27.997 53.354 0.00 0.00 0.013 C +ATOM 1493 CG1 ILE 154 -42.232 26.622 53.823 0.00 0.00 0.002 C +ATOM 1494 CG2 ILE 154 -40.890 28.694 54.407 0.00 0.00 0.012 C +ATOM 1495 CD1 ILE 154 -41.051 25.740 54.232 0.00 0.00 0.005 C +ATOM 1496 N ARG 155 -41.783 30.289 51.341 0.00 0.00 -0.346 N +ATOM 1497 HN ARG 155 -41.717 29.427 50.799 1.00 0.00 0.163 HD +ATOM 1498 CA ARG 155 -41.205 31.506 50.784 0.00 0.00 0.176 C +ATOM 1499 C ARG 155 -42.245 32.614 50.654 0.00 0.00 0.241 C +ATOM 1500 O ARG 155 -41.978 33.758 51.034 0.00 0.00 -0.271 OA +ATOM 1501 CB ARG 155 -40.575 31.235 49.405 0.00 0.00 0.036 C +ATOM 1502 CG ARG 155 -39.318 30.373 49.536 0.00 0.00 0.023 C +ATOM 1503 CD ARG 155 -38.663 30.148 48.172 0.00 0.00 0.138 C +ATOM 1504 NE ARG 155 -39.446 29.165 47.391 0.00 0.00 -0.227 N +ATOM 1505 HE ARG 155 -39.432 28.192 47.696 1.00 0.00 0.177 HD +ATOM 1506 CZ ARG 155 -40.178 29.476 46.300 0.00 0.00 0.665 C +ATOM 1507 NH1 ARG 155 -40.213 30.749 45.882 0.00 0.00 -0.235 N +ATOM 1508 1HH1 ARG 155 -40.766 30.984 45.058 1.00 0.00 0.174 HD +ATOM 1509 2HH1 ARG 155 -39.693 31.472 46.380 1.00 0.00 0.174 HD +ATOM 1510 NH2 ARG 155 -40.861 28.527 45.646 0.00 0.00 -0.235 N +ATOM 1511 1HH2 ARG 155 -41.414 28.762 44.822 1.00 0.00 0.174 HD +ATOM 1512 2HH2 ARG 155 -40.834 27.558 45.964 1.00 0.00 0.174 HD +ATOM 1513 N GLN 156 -43.422 32.271 50.124 0.00 0.00 -0.346 N +ATOM 1514 HN GLN 156 -43.567 31.301 49.843 1.00 0.00 0.163 HD +ATOM 1515 CA GLN 156 -44.519 33.234 49.928 0.00 0.00 0.177 C +ATOM 1516 C GLN 156 -45.189 33.721 51.220 0.00 0.00 0.241 C +ATOM 1517 O GLN 156 -45.706 34.841 51.269 0.00 0.00 -0.271 OA +ATOM 1518 CB GLN 156 -45.575 32.653 48.969 0.00 0.00 0.044 C +ATOM 1519 CG GLN 156 -44.966 32.359 47.596 0.00 0.00 0.105 C +ATOM 1520 CD GLN 156 -46.000 31.729 46.662 0.00 0.00 0.215 C +ATOM 1521 OE1 GLN 156 -47.116 31.420 47.046 0.00 0.00 -0.274 OA +ATOM 1522 NE2 GLN 156 -45.569 31.555 45.416 0.00 0.00 -0.370 N +ATOM 1523 1HE2 GLN 156 -44.636 31.813 45.095 1.00 0.00 0.159 HD +ATOM 1524 2HE2 GLN 156 -46.259 31.135 44.793 1.00 0.00 0.159 HD +ATOM 1525 N LYS 157 -45.192 32.871 52.250 0.00 0.00 -0.346 N +ATOM 1526 HN LYS 157 -44.774 31.949 52.124 1.00 0.00 0.163 HD +ATOM 1527 CA LYS 157 -45.769 33.205 53.551 0.00 0.00 0.176 C +ATOM 1528 C LYS 157 -44.822 34.094 54.338 0.00 0.00 0.241 C +ATOM 1529 O LYS 157 -45.253 34.976 55.083 0.00 0.00 -0.271 OA +ATOM 1530 CB LYS 157 -46.068 31.928 54.358 0.00 0.00 0.035 C +ATOM 1531 CG LYS 157 -47.271 31.182 53.778 0.00 0.00 0.004 C +ATOM 1532 CD LYS 157 -47.618 29.957 54.627 0.00 0.00 0.027 C +ATOM 1533 CE LYS 157 -48.849 29.237 54.073 0.00 0.00 0.229 C +ATOM 1534 NZ LYS 157 -50.024 30.123 54.110 0.00 0.00 -0.079 N +ATOM 1535 HZ1 LYS 157 -50.845 29.643 53.741 1.00 0.00 0.274 HD +ATOM 1536 HZ2 LYS 157 -49.850 31.004 53.626 1.00 0.00 0.274 HD +ATOM 1537 HZ3 LYS 157 -50.190 30.494 55.046 1.00 0.00 0.274 HD +ATOM 1538 N VAL 158 -43.527 33.823 54.209 0.00 0.00 -0.346 N +ATOM 1539 HN VAL 158 -43.235 33.039 53.626 1.00 0.00 0.163 HD +ATOM 1540 CA VAL 158 -42.520 34.625 54.884 0.00 0.00 0.180 C +ATOM 1541 C VAL 158 -42.588 36.016 54.256 0.00 0.00 0.241 C +ATOM 1542 O VAL 158 -42.689 37.017 54.958 0.00 0.00 -0.271 OA +ATOM 1543 CB VAL 158 -41.109 34.034 54.706 0.00 0.00 0.009 C +ATOM 1544 CG1 VAL 158 -40.049 34.955 55.314 0.00 0.00 0.012 C +ATOM 1545 CG2 VAL 158 -41.024 32.629 55.305 0.00 0.00 0.012 C +ATOM 1546 N GLU 159 -42.659 36.055 52.928 0.00 0.00 -0.346 N +ATOM 1547 HN GLU 159 -42.678 35.174 52.415 1.00 0.00 0.163 HD +ATOM 1548 CA GLU 159 -42.711 37.309 52.169 0.00 0.00 0.177 C +ATOM 1549 C GLU 159 -43.880 38.259 52.462 0.00 0.00 0.241 C +ATOM 1550 O GLU 159 -43.944 39.348 51.891 0.00 0.00 -0.271 OA +ATOM 1551 CB GLU 159 -42.627 37.021 50.658 0.00 0.00 0.045 C +ATOM 1552 CG GLU 159 -41.466 36.075 50.345 0.00 0.00 0.116 C +ATOM 1553 CD GLU 159 -41.382 35.789 48.844 0.00 0.00 0.172 C +ATOM 1554 OE1 GLU 159 -42.198 36.308 48.067 0.00 0.00 -0.648 OA +ATOM 1555 OE2 GLU 159 -40.427 34.998 48.492 0.00 0.00 -0.648 OA +ATOM 1556 N LYS 160 -44.805 37.854 53.327 0.00 0.00 -0.346 N +ATOM 1557 HN LYS 160 -44.720 36.931 53.753 1.00 0.00 0.163 HD +ATOM 1558 CA LYS 160 -45.940 38.702 53.680 0.00 0.00 0.176 C +ATOM 1559 C LYS 160 -45.612 39.467 54.957 0.00 0.00 0.241 C +ATOM 1560 O LYS 160 -46.185 40.517 55.229 0.00 0.00 -0.271 OA +ATOM 1561 CB LYS 160 -47.202 37.842 53.878 0.00 0.00 0.035 C +ATOM 1562 CG LYS 160 -47.544 37.068 52.604 0.00 0.00 0.004 C +ATOM 1563 CD LYS 160 -48.798 36.213 52.801 0.00 0.00 0.027 C +ATOM 1564 CE LYS 160 -49.139 35.439 51.526 0.00 0.00 0.229 C +ATOM 1565 NZ LYS 160 -50.346 34.621 51.728 0.00 0.00 -0.079 N +ATOM 1566 HZ1 LYS 160 -50.573 34.105 50.878 1.00 0.00 0.274 HD +ATOM 1567 HZ2 LYS 160 -51.134 35.181 52.054 1.00 0.00 0.274 HD +ATOM 1568 HZ3 LYS 160 -50.255 34.003 52.534 1.00 0.00 0.274 HD +ATOM 1569 N LEU 161 -44.649 38.946 55.709 0.00 0.00 -0.346 N +ATOM 1570 HN LEU 161 -44.188 38.093 55.393 1.00 0.00 0.163 HD +ATOM 1571 CA LEU 161 -44.226 39.544 56.964 0.00 0.00 0.177 C +ATOM 1572 C LEU 161 -42.926 40.355 56.801 0.00 0.00 0.241 C +ATOM 1573 O LEU 161 -42.765 41.053 55.797 0.00 0.00 -0.271 OA +ATOM 1574 CB LEU 161 -44.091 38.449 58.039 0.00 0.00 0.038 C +ATOM 1575 CG LEU 161 -45.332 37.586 58.277 0.00 0.00 -0.020 C +ATOM 1576 CD1 LEU 161 -45.072 36.540 59.363 0.00 0.00 0.009 C +ATOM 1577 CD2 LEU 161 -46.550 38.454 58.597 0.00 0.00 0.009 C +ATOM 1578 N ASP 162 -42.022 40.266 57.791 0.00 0.00 -0.346 N +ATOM 1579 HN ASP 162 -42.248 39.649 58.571 1.00 0.00 0.163 HD +ATOM 1580 CA ASP 162 -40.719 40.987 57.854 0.00 0.00 0.186 C +ATOM 1581 C ASP 162 -40.869 42.518 57.954 0.00 0.00 0.241 C +ATOM 1582 O ASP 162 -39.928 43.243 58.297 0.00 0.00 -0.271 OA +ATOM 1583 CB ASP 162 -39.754 40.586 56.723 0.00 0.00 0.147 C +ATOM 1584 CG ASP 162 -38.765 39.475 57.080 0.00 0.00 0.175 C +ATOM 1585 OD1 ASP 162 -38.611 39.110 58.255 0.00 0.00 -0.648 OA +ATOM 1586 OD2 ASP 162 -38.128 38.969 56.079 0.00 0.00 -0.648 OA +ATOM 1587 N ARG 163 -42.084 42.974 57.676 0.00 0.00 -0.346 N +ATOM 1588 HN ARG 163 -42.788 42.291 57.397 1.00 0.00 0.163 HD +ATOM 1589 CA ARG 163 -42.493 44.365 57.736 0.00 0.00 0.176 C +ATOM 1590 C ARG 163 -43.376 44.331 58.991 0.00 0.00 0.240 C +ATOM 1591 O ARG 163 -42.915 43.878 60.045 0.00 0.00 -0.271 OA +ATOM 1592 CB ARG 163 -43.311 44.688 56.472 0.00 0.00 0.036 C +ATOM 1593 CG ARG 163 -44.349 43.598 56.197 0.00 0.00 0.023 C +ATOM 1594 CD ARG 163 -45.027 43.815 54.843 0.00 0.00 0.138 C +ATOM 1595 NE ARG 163 -44.087 43.488 53.747 0.00 0.00 -0.227 N +ATOM 1596 HE ARG 163 -43.093 43.657 53.904 1.00 0.00 0.177 HD +ATOM 1597 CZ ARG 163 -44.462 42.981 52.554 0.00 0.00 0.665 C +ATOM 1598 NH1 ARG 163 -45.763 42.752 52.325 0.00 0.00 -0.235 N +ATOM 1599 1HH1 ARG 163 -46.046 42.369 51.423 1.00 0.00 0.174 HD +ATOM 1600 2HH1 ARG 163 -46.458 42.958 53.042 1.00 0.00 0.174 HD +ATOM 1601 NH2 ARG 163 -43.549 42.711 51.612 0.00 0.00 -0.235 N +ATOM 1602 1HH2 ARG 163 -43.832 42.328 50.710 1.00 0.00 0.174 HD +ATOM 1603 2HH2 ARG 163 -42.559 42.885 51.786 1.00 0.00 0.174 HD +ATOM 1604 N LEU 164 -44.640 44.734 58.874 0.00 0.00 -0.353 N +ATOM 1605 HN LEU 164 -44.982 45.073 57.975 1.00 0.00 0.163 HD +ATOM 1606 CA LEU 164 -45.537 44.694 60.018 0.00 0.00 0.108 C +ATOM 1607 C LEU 164 -45.581 45.946 60.874 0.00 0.00 0.192 C +ATOM 1608 O LEU 164 -46.054 45.862 62.029 0.00 0.00 -0.389 OA +ATOM 1609 CB LEU 164 -45.120 43.511 60.912 0.00 0.00 0.033 C +ATOM 1610 CG LEU 164 -45.953 43.302 62.179 0.00 0.00 0.007 C +ATOM 1611 CD1 LEU 164 -45.442 42.102 62.978 0.00 0.00 0.012 C +ATOM 1612 CD2 LEU 164 -45.997 44.577 63.023 0.00 0.00 0.172 C +ATOM 1613 ZN ZN4 490 -32.456 27.866 62.346 0.00 0.00 2.000 Zn +TER 1614 ZN4 490 diff --git a/unidock/example/paired_batch/def1.pdbqt b/unidock/example/paired_batch/def1.pdbqt new file mode 100644 index 0000000..b02f4af --- /dev/null +++ b/unidock/example/paired_batch/def1.pdbqt @@ -0,0 +1,1614 @@ +ATOM 1 N SER 1 -24.102 41.977 73.078 0.00 0.00 -0.064 N +ATOM 2 HN1 SER 1 -24.590 41.366 73.732 1.00 0.00 0.275 HD +ATOM 3 HN2 SER 1 -23.447 42.598 73.553 1.00 0.00 0.275 HD +ATOM 4 HN3 SER 1 -23.433 41.464 72.503 1.00 0.00 0.275 HD +ATOM 5 CA SER 1 -25.081 42.730 72.252 0.00 0.00 0.297 C +ATOM 6 C SER 1 -25.984 41.779 71.491 0.00 0.00 0.251 C +ATOM 7 O SER 1 -25.679 40.596 71.347 0.00 0.00 -0.271 OA +ATOM 8 CB SER 1 -24.344 43.653 71.264 0.00 0.00 0.206 C +ATOM 9 OG SER 1 -22.931 43.477 71.322 0.00 0.00 -0.398 OA +ATOM 10 HOG SER 1 -22.520 44.064 70.698 0.00 0.00 0.209 HD +ATOM 11 N VAL 2 -27.131 42.299 71.074 0.00 0.00 -0.346 N +ATOM 12 HN VAL 2 -27.343 43.271 71.298 1.00 0.00 0.163 HD +ATOM 13 CA VAL 2 -28.098 41.525 70.306 0.00 0.00 0.180 C +ATOM 14 C VAL 2 -27.695 41.709 68.848 0.00 0.00 0.241 C +ATOM 15 O VAL 2 -27.508 42.843 68.378 0.00 0.00 -0.271 OA +ATOM 16 CB VAL 2 -29.539 42.012 70.547 0.00 0.00 0.009 C +ATOM 17 CG1 VAL 2 -30.527 41.270 69.644 0.00 0.00 0.012 C +ATOM 18 CG2 VAL 2 -29.927 41.869 72.019 0.00 0.00 0.012 C +ATOM 19 N LEU 3 -27.504 40.592 68.159 0.00 0.00 -0.346 N +ATOM 20 HN LEU 3 -27.655 39.691 68.612 1.00 0.00 0.163 HD +ATOM 21 CA LEU 3 -27.085 40.631 66.776 0.00 0.00 0.177 C +ATOM 22 C LEU 3 -28.257 40.349 65.838 0.00 0.00 0.241 C +ATOM 23 O LEU 3 -29.180 39.623 66.204 0.00 0.00 -0.271 OA +ATOM 24 CB LEU 3 -25.938 39.624 66.571 0.00 0.00 0.038 C +ATOM 25 CG LEU 3 -24.811 39.672 67.605 0.00 0.00 -0.020 C +ATOM 26 CD1 LEU 3 -23.918 38.434 67.499 0.00 0.00 0.009 C +ATOM 27 CD2 LEU 3 -24.009 40.969 67.483 0.00 0.00 0.009 C +ATOM 28 N GLN 4 -28.208 40.926 64.635 0.00 0.00 -0.346 N +ATOM 29 HN GLN 4 -27.401 41.507 64.408 1.00 0.00 0.163 HD +ATOM 30 CA GLN 4 -29.258 40.765 63.625 0.00 0.00 0.177 C +ATOM 31 C GLN 4 -29.280 39.412 62.913 0.00 0.00 0.241 C +ATOM 32 O GLN 4 -28.348 39.041 62.201 0.00 0.00 -0.271 OA +ATOM 33 CB GLN 4 -29.162 41.881 62.568 0.00 0.00 0.044 C +ATOM 34 CG GLN 4 -30.197 41.677 61.460 0.00 0.00 0.105 C +ATOM 35 CD GLN 4 -29.815 42.462 60.203 0.00 0.00 0.215 C +ATOM 36 OE1 GLN 4 -29.135 43.474 60.254 0.00 0.00 -0.274 OA +ATOM 37 NE2 GLN 4 -30.289 41.940 59.075 0.00 0.00 -0.370 N +ATOM 38 1HE2 GLN 4 -30.857 41.094 59.032 1.00 0.00 0.159 HD +ATOM 39 2HE2 GLN 4 -30.034 42.463 58.237 1.00 0.00 0.159 HD +ATOM 40 N VAL 5 -30.392 38.710 63.065 0.00 0.00 -0.346 N +ATOM 41 HN VAL 5 -31.145 39.096 63.634 1.00 0.00 0.163 HD +ATOM 42 CA VAL 5 -30.574 37.408 62.447 0.00 0.00 0.180 C +ATOM 43 C VAL 5 -30.984 37.608 60.992 0.00 0.00 0.241 C +ATOM 44 O VAL 5 -31.885 38.399 60.691 0.00 0.00 -0.271 OA +ATOM 45 CB VAL 5 -31.635 36.605 63.223 0.00 0.00 0.009 C +ATOM 46 CG1 VAL 5 -31.823 35.214 62.614 0.00 0.00 0.012 C +ATOM 47 CG2 VAL 5 -31.274 36.511 64.707 0.00 0.00 0.012 C +ATOM 48 N LEU 6 -30.280 36.934 60.089 0.00 0.00 -0.346 N +ATOM 49 HN LEU 6 -29.521 36.330 60.406 1.00 0.00 0.163 HD +ATOM 50 CA LEU 6 -30.557 37.029 58.651 0.00 0.00 0.177 C +ATOM 51 C LEU 6 -31.753 36.153 58.304 0.00 0.00 0.241 C +ATOM 52 O LEU 6 -31.943 35.094 58.897 0.00 0.00 -0.271 OA +ATOM 53 CB LEU 6 -29.330 36.589 57.831 0.00 0.00 0.038 C +ATOM 54 CG LEU 6 -28.010 37.281 58.174 0.00 0.00 -0.020 C +ATOM 55 CD1 LEU 6 -26.825 36.543 57.549 0.00 0.00 0.009 C +ATOM 56 CD2 LEU 6 -28.043 38.757 57.771 0.00 0.00 0.009 C +ATOM 57 N HIS 7 -32.563 36.594 57.352 0.00 0.00 -0.346 N +ATOM 58 HN HIS 7 -32.360 37.480 56.889 1.00 0.00 0.163 HD +ATOM 59 CA HIS 7 -33.742 35.830 56.956 0.00 0.00 0.182 C +ATOM 60 C HIS 7 -33.720 35.554 55.461 0.00 0.00 0.241 C +ATOM 61 O HIS 7 -33.075 36.282 54.693 0.00 0.00 -0.271 OA +ATOM 62 CB HIS 7 -35.031 36.607 57.283 0.00 0.00 0.093 C +ATOM 63 CG HIS 7 -35.126 37.063 58.719 0.00 0.00 0.028 A +ATOM 64 ND1 HIS 7 -35.950 38.098 59.125 0.00 0.00 -0.354 N +ATOM 65 HD1 HIS 7 -36.561 38.646 58.520 1.00 0.00 0.166 HD +ATOM 66 CD2 HIS 7 -34.493 36.613 59.841 0.00 0.00 0.114 A +ATOM 67 CE1 HIS 7 -35.811 38.256 60.433 0.00 0.00 0.180 A +ATOM 68 NE2 HIS 7 -34.906 37.335 60.874 0.00 0.00 -0.360 N +ATOM 69 HE2 HIS 7 -34.598 37.221 61.840 1.00 0.00 0.166 HD +ATOM 70 N ILE 8 -34.416 34.502 55.043 0.00 0.00 -0.346 N +ATOM 71 HN ILE 8 -34.902 33.912 55.718 1.00 0.00 0.163 HD +ATOM 72 CA ILE 8 -34.486 34.190 53.623 0.00 0.00 0.180 C +ATOM 73 C ILE 8 -35.065 35.425 52.913 0.00 0.00 0.243 C +ATOM 74 O ILE 8 -35.855 36.169 53.508 0.00 0.00 -0.271 OA +ATOM 75 CB ILE 8 -35.333 32.933 53.350 0.00 0.00 0.013 C +ATOM 76 CG1 ILE 8 -36.801 33.173 53.710 0.00 0.00 0.002 C +ATOM 77 CG2 ILE 8 -34.756 31.715 54.075 0.00 0.00 0.012 C +ATOM 78 CD1 ILE 8 -37.688 32.049 53.170 0.00 0.00 0.005 C +ATOM 79 N PRO 9 -34.646 35.685 51.661 0.00 0.00 -0.337 N +ATOM 80 CA PRO 9 -33.714 34.907 50.848 0.00 0.00 0.179 C +ATOM 81 C PRO 9 -32.258 35.444 50.895 0.00 0.00 0.241 C +ATOM 82 O PRO 9 -31.530 35.354 49.904 0.00 0.00 -0.271 OA +ATOM 83 CB PRO 9 -33.966 35.181 49.462 0.00 0.00 0.037 C +ATOM 84 CG PRO 9 -34.712 36.506 49.458 0.00 0.00 0.022 C +ATOM 85 CD PRO 9 -35.190 36.775 50.875 0.00 0.00 0.127 C +ATOM 86 N ASP 10 -31.857 35.994 52.042 0.00 0.00 -0.346 N +ATOM 87 HN ASP 10 -32.519 36.043 52.817 1.00 0.00 0.163 HD +ATOM 88 CA ASP 10 -30.508 36.531 52.239 0.00 0.00 0.186 C +ATOM 89 C ASP 10 -29.472 35.483 51.851 0.00 0.00 0.241 C +ATOM 90 O ASP 10 -29.290 34.486 52.566 0.00 0.00 -0.271 OA +ATOM 91 CB ASP 10 -30.307 36.923 53.715 0.00 0.00 0.147 C +ATOM 92 CG ASP 10 -29.041 37.732 54.002 0.00 0.00 0.175 C +ATOM 93 OD1 ASP 10 -29.045 38.649 54.837 0.00 0.00 -0.648 OA +ATOM 94 OD2 ASP 10 -28.004 37.384 53.318 0.00 0.00 -0.648 OA +ATOM 95 N GLU 11 -28.739 35.763 50.769 0.00 0.00 -0.346 N +ATOM 96 HN GLU 11 -28.894 36.647 50.284 1.00 0.00 0.163 HD +ATOM 97 CA GLU 11 -27.720 34.843 50.256 0.00 0.00 0.177 C +ATOM 98 C GLU 11 -26.624 34.528 51.261 0.00 0.00 0.241 C +ATOM 99 O GLU 11 -26.019 33.472 51.179 0.00 0.00 -0.271 OA +ATOM 100 CB GLU 11 -27.139 35.316 48.910 0.00 0.00 0.045 C +ATOM 101 CG GLU 11 -28.177 35.195 47.793 0.00 0.00 0.116 C +ATOM 102 CD GLU 11 -27.563 35.542 46.435 0.00 0.00 0.172 C +ATOM 103 OE1 GLU 11 -26.456 36.096 46.378 0.00 0.00 -0.648 OA +ATOM 104 OE2 GLU 11 -28.279 35.215 45.413 0.00 0.00 -0.648 OA +ATOM 105 N ARG 12 -26.426 35.392 52.252 0.00 0.00 -0.346 N +ATOM 106 HN ARG 12 -26.991 36.240 52.303 1.00 0.00 0.163 HD +ATOM 107 CA ARG 12 -25.404 35.138 53.272 0.00 0.00 0.176 C +ATOM 108 C ARG 12 -25.693 33.921 54.148 0.00 0.00 0.241 C +ATOM 109 O ARG 12 -24.784 33.395 54.808 0.00 0.00 -0.271 OA +ATOM 110 CB ARG 12 -25.170 36.368 54.169 0.00 0.00 0.036 C +ATOM 111 CG ARG 12 -24.369 37.441 53.430 0.00 0.00 0.023 C +ATOM 112 CD ARG 12 -24.289 38.729 54.252 0.00 0.00 0.138 C +ATOM 113 NE ARG 12 -25.649 39.253 54.507 0.00 0.00 -0.227 N +ATOM 114 HE ARG 12 -26.441 38.641 54.310 1.00 0.00 0.177 HD +ATOM 115 CZ ARG 12 -25.908 40.489 54.984 0.00 0.00 0.665 C +ATOM 116 NH1 ARG 12 -24.883 41.309 55.251 0.00 0.00 -0.235 N +ATOM 117 1HH1 ARG 12 -23.922 41.004 55.096 1.00 0.00 0.174 HD +ATOM 118 2HH1 ARG 12 -25.079 42.243 55.611 1.00 0.00 0.174 HD +ATOM 119 NH2 ARG 12 -27.170 40.889 55.188 0.00 0.00 -0.235 N +ATOM 120 1HH2 ARG 12 -27.951 40.265 54.985 1.00 0.00 0.174 HD +ATOM 121 2HH2 ARG 12 -27.366 41.823 55.548 1.00 0.00 0.174 HD +ATOM 122 N LEU 13 -26.957 33.495 54.182 0.00 0.00 -0.346 N +ATOM 123 HN LEU 13 -27.666 33.999 53.649 1.00 0.00 0.163 HD +ATOM 124 CA LEU 13 -27.353 32.322 54.966 0.00 0.00 0.177 C +ATOM 125 C LEU 13 -26.893 31.067 54.237 0.00 0.00 0.241 C +ATOM 126 O LEU 13 -26.939 29.963 54.777 0.00 0.00 -0.271 OA +ATOM 127 CB LEU 13 -28.882 32.269 55.144 0.00 0.00 0.038 C +ATOM 128 CG LEU 13 -29.476 33.264 56.143 0.00 0.00 -0.020 C +ATOM 129 CD1 LEU 13 -30.973 33.459 55.899 0.00 0.00 0.009 C +ATOM 130 CD2 LEU 13 -29.181 32.837 57.583 0.00 0.00 0.009 C +ATOM 131 N ARG 14 -26.475 31.231 52.994 0.00 0.00 -0.346 N +ATOM 132 HN ARG 14 -26.482 32.163 52.580 1.00 0.00 0.163 HD +ATOM 133 CA ARG 14 -26.003 30.097 52.205 0.00 0.00 0.176 C +ATOM 134 C ARG 14 -24.455 29.969 52.200 0.00 0.00 0.241 C +ATOM 135 O ARG 14 -23.887 29.124 51.496 0.00 0.00 -0.271 OA +ATOM 136 CB ARG 14 -26.564 30.215 50.776 0.00 0.00 0.036 C +ATOM 137 CG ARG 14 -28.031 30.650 50.797 0.00 0.00 0.023 C +ATOM 138 CD ARG 14 -28.958 29.466 50.516 0.00 0.00 0.138 C +ATOM 139 NE ARG 14 -28.875 28.485 51.621 0.00 0.00 -0.227 N +ATOM 140 HE ARG 14 -28.007 28.438 52.154 1.00 0.00 0.177 HD +ATOM 141 CZ ARG 14 -29.877 27.649 51.967 0.00 0.00 0.665 C +ATOM 142 NH1 ARG 14 -31.027 27.693 51.280 0.00 0.00 -0.235 N +ATOM 143 1HH1 ARG 14 -31.143 28.349 50.507 1.00 0.00 0.174 HD +ATOM 144 2HH1 ARG 14 -31.784 27.061 51.541 1.00 0.00 0.174 HD +ATOM 145 NH2 ARG 14 -29.724 26.788 52.982 0.00 0.00 -0.235 N +ATOM 146 1HH2 ARG 14 -28.849 26.755 53.505 1.00 0.00 0.174 HD +ATOM 147 2HH2 ARG 14 -30.481 26.156 53.243 1.00 0.00 0.174 HD +ATOM 148 N LYS 15 -23.803 30.754 53.054 0.00 0.00 -0.346 N +ATOM 149 HN LYS 15 -24.337 31.380 53.657 1.00 0.00 0.163 HD +ATOM 150 CA LYS 15 -22.352 30.747 53.154 0.00 0.00 0.176 C +ATOM 151 C LYS 15 -21.798 29.695 54.099 0.00 0.00 0.241 C +ATOM 152 O LYS 15 -22.258 29.578 55.239 0.00 0.00 -0.271 OA +ATOM 153 CB LYS 15 -21.861 32.149 53.560 0.00 0.00 0.035 C +ATOM 154 CG LYS 15 -22.056 33.150 52.420 0.00 0.00 0.004 C +ATOM 155 CD LYS 15 -21.521 34.531 52.806 0.00 0.00 0.027 C +ATOM 156 CE LYS 15 -20.049 34.455 53.215 0.00 0.00 0.229 C +ATOM 157 NZ LYS 15 -19.624 35.714 53.848 0.00 0.00 -0.079 N +ATOM 158 HZ1 LYS 15 -18.642 35.663 54.121 1.00 0.00 0.274 HD +ATOM 159 HZ2 LYS 15 -20.224 35.964 54.634 1.00 0.00 0.274 HD +ATOM 160 HZ3 LYS 15 -19.811 36.520 53.252 1.00 0.00 0.274 HD +ATOM 161 N VAL 16 -20.851 28.892 53.603 0.00 0.00 -0.346 N +ATOM 162 HN VAL 16 -20.557 29.023 52.635 1.00 0.00 0.163 HD +ATOM 163 CA VAL 16 -20.216 27.829 54.394 0.00 0.00 0.180 C +ATOM 164 C VAL 16 -19.156 28.427 55.310 0.00 0.00 0.241 C +ATOM 165 O VAL 16 -18.300 29.206 54.871 0.00 0.00 -0.271 OA +ATOM 166 CB VAL 16 -19.586 26.739 53.506 0.00 0.00 0.009 C +ATOM 167 CG1 VAL 16 -19.077 25.570 54.352 0.00 0.00 0.012 C +ATOM 168 CG2 VAL 16 -20.576 26.258 52.444 0.00 0.00 0.012 C +ATOM 169 N ALA 17 -19.241 28.075 56.590 0.00 0.00 -0.346 N +ATOM 170 HN ALA 17 -19.975 27.423 56.867 1.00 0.00 0.163 HD +ATOM 171 CA ALA 17 -18.333 28.577 57.618 0.00 0.00 0.172 C +ATOM 172 C ALA 17 -16.979 27.848 57.725 0.00 0.00 0.240 C +ATOM 173 O ALA 17 -16.875 26.636 57.523 0.00 0.00 -0.271 OA +ATOM 174 CB ALA 17 -19.051 28.577 58.980 0.00 0.00 0.042 C +ATOM 175 N LYS 18 -15.936 28.612 58.039 0.00 0.00 -0.346 N +ATOM 176 HN LYS 18 -16.075 29.612 58.186 1.00 0.00 0.163 HD +ATOM 177 CA LYS 18 -14.602 28.050 58.177 0.00 0.00 0.176 C +ATOM 178 C LYS 18 -14.355 27.744 59.643 0.00 0.00 0.243 C +ATOM 179 O LYS 18 -14.963 28.353 60.517 0.00 0.00 -0.271 OA +ATOM 180 CB LYS 18 -13.552 29.017 57.599 0.00 0.00 0.035 C +ATOM 181 CG LYS 18 -13.658 30.396 58.252 0.00 0.00 0.004 C +ATOM 182 CD LYS 18 -12.834 30.459 59.540 0.00 0.00 0.027 C +ATOM 183 CE LYS 18 -12.810 31.879 60.107 0.00 0.00 0.229 C +ATOM 184 NZ LYS 18 -12.057 31.917 61.371 0.00 0.00 -0.079 N +ATOM 185 HZ1 LYS 18 -12.041 32.864 61.749 1.00 0.00 0.274 HD +ATOM 186 HZ2 LYS 18 -11.117 31.536 61.264 1.00 0.00 0.274 HD +ATOM 187 HZ3 LYS 18 -12.418 31.245 62.048 1.00 0.00 0.274 HD +ATOM 188 N PRO 19 -13.493 26.763 59.937 0.00 0.00 -0.337 N +ATOM 189 CA PRO 19 -13.184 26.395 61.317 0.00 0.00 0.179 C +ATOM 190 C PRO 19 -12.671 27.583 62.124 0.00 0.00 0.241 C +ATOM 191 O PRO 19 -12.174 28.552 61.561 0.00 0.00 -0.271 OA +ATOM 192 CB PRO 19 -12.560 25.090 61.309 0.00 0.00 0.037 C +ATOM 193 CG PRO 19 -12.050 24.906 59.889 0.00 0.00 0.022 C +ATOM 194 CD PRO 19 -12.713 25.959 59.016 0.00 0.00 0.127 C +ATOM 195 N VAL 20 -12.833 27.512 63.443 0.00 0.00 -0.346 N +ATOM 196 HN VAL 20 -13.325 26.707 63.831 1.00 0.00 0.163 HD +ATOM 197 CA VAL 20 -12.338 28.535 64.359 0.00 0.00 0.180 C +ATOM 198 C VAL 20 -10.879 28.110 64.541 0.00 0.00 0.241 C +ATOM 199 O VAL 20 -10.606 26.917 64.732 0.00 0.00 -0.271 OA +ATOM 200 CB VAL 20 -13.061 28.465 65.717 0.00 0.00 0.009 C +ATOM 201 CG1 VAL 20 -12.251 29.169 66.807 0.00 0.00 0.012 C +ATOM 202 CG2 VAL 20 -14.471 29.051 65.617 0.00 0.00 0.012 C +ATOM 203 N GLU 21 -9.940 29.046 64.409 0.00 0.00 -0.346 N +ATOM 204 HN GLU 21 -10.205 30.009 64.201 1.00 0.00 0.163 HD +ATOM 205 CA GLU 21 -8.532 28.692 64.563 0.00 0.00 0.177 C +ATOM 206 C GLU 21 -8.175 28.274 65.967 0.00 0.00 0.241 C +ATOM 207 O GLU 21 -7.717 27.152 66.176 0.00 0.00 -0.271 OA +ATOM 208 CB GLU 21 -7.612 29.811 64.040 0.00 0.00 0.045 C +ATOM 209 CG GLU 21 -7.490 29.752 62.516 0.00 0.00 0.116 C +ATOM 210 CD GLU 21 -7.103 28.347 62.050 0.00 0.00 0.172 C +ATOM 211 OE1 GLU 21 -6.207 27.723 62.639 0.00 0.00 -0.648 OA +ATOM 212 OE2 GLU 21 -7.770 27.904 61.039 0.00 0.00 -0.648 OA +ATOM 213 N GLU 22 -8.407 29.156 66.927 0.00 0.00 -0.346 N +ATOM 214 HN GLU 22 -8.791 30.069 66.681 1.00 0.00 0.163 HD +ATOM 215 CA GLU 22 -8.129 28.857 68.323 0.00 0.00 0.177 C +ATOM 216 C GLU 22 -9.146 29.642 69.129 0.00 0.00 0.241 C +ATOM 217 O GLU 22 -9.444 30.788 68.798 0.00 0.00 -0.271 OA +ATOM 218 CB GLU 22 -6.700 29.271 68.721 0.00 0.00 0.045 C +ATOM 219 CG GLU 22 -5.666 28.312 68.127 0.00 0.00 0.116 C +ATOM 220 CD GLU 22 -5.861 26.893 68.666 0.00 0.00 0.172 C +ATOM 221 OE1 GLU 22 -6.218 25.983 67.903 0.00 0.00 -0.648 OA +ATOM 222 OE2 GLU 22 -5.626 26.752 69.926 0.00 0.00 -0.648 OA +ATOM 223 N VAL 23 -9.707 29.009 70.157 0.00 0.00 -0.346 N +ATOM 224 HN VAL 23 -9.428 28.049 70.358 1.00 0.00 0.163 HD +ATOM 225 CA VAL 23 -10.709 29.648 71.005 0.00 0.00 0.180 C +ATOM 226 C VAL 23 -10.077 30.718 71.889 0.00 0.00 0.241 C +ATOM 227 O VAL 23 -9.470 30.418 72.915 0.00 0.00 -0.271 OA +ATOM 228 CB VAL 23 -11.458 28.629 71.883 0.00 0.00 0.009 C +ATOM 229 CG1 VAL 23 -12.601 29.299 72.648 0.00 0.00 0.012 C +ATOM 230 CG2 VAL 23 -11.972 27.456 71.045 0.00 0.00 0.012 C +ATOM 231 N ASN 24 -10.246 31.968 71.485 0.00 0.00 -0.346 N +ATOM 232 HN ASN 24 -10.788 32.143 70.639 1.00 0.00 0.163 HD +ATOM 233 CA ASN 24 -9.686 33.098 72.206 0.00 0.00 0.185 C +ATOM 234 C ASN 24 -10.787 34.022 72.722 0.00 0.00 0.241 C +ATOM 235 O ASN 24 -11.975 33.741 72.546 0.00 0.00 -0.271 OA +ATOM 236 CB ASN 24 -8.721 33.860 71.278 0.00 0.00 0.137 C +ATOM 237 CG ASN 24 -9.398 34.209 69.951 0.00 0.00 0.217 C +ATOM 238 OD1 ASN 24 -10.510 34.709 69.905 0.00 0.00 -0.274 OA +ATOM 239 ND2 ASN 24 -8.667 33.919 68.879 0.00 0.00 -0.370 N +ATOM 240 1HD2 ASN 24 -9.118 34.152 67.994 1.00 0.00 0.159 HD +ATOM 241 2HD2 ASN 24 -7.737 33.501 68.917 1.00 0.00 0.159 HD +ATOM 242 N ALA 25 -10.384 35.137 73.327 0.00 0.00 -0.346 N +ATOM 243 HN ALA 25 -9.382 35.316 73.399 1.00 0.00 0.163 HD +ATOM 244 CA ALA 25 -11.309 36.116 73.892 0.00 0.00 0.172 C +ATOM 245 C ALA 25 -12.304 36.710 72.906 0.00 0.00 0.240 C +ATOM 246 O ALA 25 -13.375 37.171 73.313 0.00 0.00 -0.271 OA +ATOM 247 CB ALA 25 -10.525 37.248 74.581 0.00 0.00 0.042 C +ATOM 248 N GLU 26 -11.933 36.754 71.631 0.00 0.00 -0.346 N +ATOM 249 HN GLU 26 -11.009 36.410 71.369 1.00 0.00 0.163 HD +ATOM 250 CA GLU 26 -12.816 37.283 70.595 0.00 0.00 0.177 C +ATOM 251 C GLU 26 -13.887 36.229 70.264 0.00 0.00 0.241 C +ATOM 252 O GLU 26 -15.060 36.557 70.096 0.00 0.00 -0.271 OA +ATOM 253 CB GLU 26 -11.993 37.647 69.346 0.00 0.00 0.045 C +ATOM 254 CG GLU 26 -12.616 38.832 68.604 0.00 0.00 0.116 C +ATOM 255 CD GLU 26 -13.543 38.352 67.486 0.00 0.00 0.172 C +ATOM 256 OE1 GLU 26 -13.095 37.646 66.570 0.00 0.00 -0.648 OA +ATOM 257 OE2 GLU 26 -14.769 38.738 67.590 0.00 0.00 -0.648 OA +ATOM 258 N ILE 27 -13.474 34.962 70.211 0.00 0.00 -0.346 N +ATOM 259 HN ILE 27 -12.487 34.763 70.374 1.00 0.00 0.163 HD +ATOM 260 CA ILE 27 -14.378 33.843 69.929 0.00 0.00 0.180 C +ATOM 261 C ILE 27 -15.395 33.759 71.069 0.00 0.00 0.241 C +ATOM 262 O ILE 27 -16.601 33.641 70.845 0.00 0.00 -0.271 OA +ATOM 263 CB ILE 27 -13.602 32.517 69.821 0.00 0.00 0.013 C +ATOM 264 CG1 ILE 27 -12.597 32.563 68.668 0.00 0.00 0.002 C +ATOM 265 CG2 ILE 27 -14.560 31.330 69.700 0.00 0.00 0.012 C +ATOM 266 CD1 ILE 27 -13.279 32.977 67.362 0.00 0.00 0.005 C +ATOM 267 N GLN 28 -14.892 33.890 72.291 0.00 0.00 -0.346 N +ATOM 268 HN GLN 28 -13.887 34.025 72.398 1.00 0.00 0.163 HD +ATOM 269 CA GLN 28 -15.722 33.848 73.477 0.00 0.00 0.177 C +ATOM 270 C GLN 28 -16.700 35.022 73.536 0.00 0.00 0.241 C +ATOM 271 O GLN 28 -17.781 34.888 74.100 0.00 0.00 -0.271 OA +ATOM 272 CB GLN 28 -14.845 33.745 74.739 0.00 0.00 0.044 C +ATOM 273 CG GLN 28 -14.011 32.462 74.724 0.00 0.00 0.105 C +ATOM 274 CD GLN 28 -13.232 32.300 76.030 0.00 0.00 0.215 C +ATOM 275 OE1 GLN 28 -13.620 32.787 77.080 0.00 0.00 -0.274 OA +ATOM 276 NE2 GLN 28 -12.113 31.591 75.908 0.00 0.00 -0.370 N +ATOM 277 1HE2 GLN 28 -11.593 31.483 76.779 1.00 0.00 0.159 HD +ATOM 278 2HE2 GLN 28 -11.789 31.184 75.031 1.00 0.00 0.159 HD +ATOM 279 N ARG 29 -16.364 36.139 72.894 0.00 0.00 -0.346 N +ATOM 280 HN ARG 29 -15.467 36.190 72.412 1.00 0.00 0.163 HD +ATOM 281 CA ARG 29 -17.263 37.295 72.869 0.00 0.00 0.176 C +ATOM 282 C ARG 29 -18.379 37.041 71.847 0.00 0.00 0.241 C +ATOM 283 O ARG 29 -19.509 37.517 72.007 0.00 0.00 -0.271 OA +ATOM 284 CB ARG 29 -16.500 38.586 72.518 0.00 0.00 0.036 C +ATOM 285 CG ARG 29 -15.383 38.855 73.528 0.00 0.00 0.023 C +ATOM 286 CD ARG 29 -14.625 40.137 73.180 0.00 0.00 0.138 C +ATOM 287 NE ARG 29 -13.551 40.376 74.170 0.00 0.00 -0.227 N +ATOM 288 HE ARG 29 -13.441 39.702 74.928 1.00 0.00 0.177 HD +ATOM 289 CZ ARG 29 -12.708 41.429 74.133 0.00 0.00 0.665 C +ATOM 290 NH1 ARG 29 -12.834 42.328 73.147 0.00 0.00 -0.235 N +ATOM 291 1HH1 ARG 29 -13.556 42.218 72.435 1.00 0.00 0.174 HD +ATOM 292 2HH1 ARG 29 -12.197 43.124 73.119 1.00 0.00 0.174 HD +ATOM 293 NH2 ARG 29 -11.759 41.574 75.068 0.00 0.00 -0.235 N +ATOM 294 1HH2 ARG 29 -11.663 40.890 75.818 1.00 0.00 0.174 HD +ATOM 295 2HH2 ARG 29 -11.122 42.370 75.040 1.00 0.00 0.174 HD +ATOM 296 N ILE 30 -18.049 36.303 70.787 0.00 0.00 -0.346 N +ATOM 297 HN ILE 30 -17.091 35.964 70.697 1.00 0.00 0.163 HD +ATOM 298 CA ILE 30 -19.021 35.967 69.752 0.00 0.00 0.180 C +ATOM 299 C ILE 30 -20.023 34.977 70.359 0.00 0.00 0.241 C +ATOM 300 O ILE 30 -21.234 35.048 70.088 0.00 0.00 -0.271 OA +ATOM 301 CB ILE 30 -18.337 35.382 68.503 0.00 0.00 0.013 C +ATOM 302 CG1 ILE 30 -17.384 36.400 67.872 0.00 0.00 0.002 C +ATOM 303 CG2 ILE 30 -19.372 34.869 67.500 0.00 0.00 0.012 C +ATOM 304 CD1 ILE 30 -16.741 35.836 66.603 0.00 0.00 0.005 C +ATOM 305 N VAL 31 -19.529 34.110 71.239 0.00 0.00 -0.346 N +ATOM 306 HN VAL 31 -18.533 34.139 71.459 1.00 0.00 0.163 HD +ATOM 307 CA VAL 31 -20.371 33.122 71.896 0.00 0.00 0.180 C +ATOM 308 C VAL 31 -21.436 33.779 72.788 0.00 0.00 0.241 C +ATOM 309 O VAL 31 -22.590 33.340 72.823 0.00 0.00 -0.271 OA +ATOM 310 CB VAL 31 -19.511 32.079 72.634 0.00 0.00 0.009 C +ATOM 311 CG1 VAL 31 -20.337 31.331 73.683 0.00 0.00 0.012 C +ATOM 312 CG2 VAL 31 -18.866 31.104 71.647 0.00 0.00 0.012 C +ATOM 313 N ASP 32 -21.075 34.886 73.430 0.00 0.00 -0.345 N +ATOM 314 HN ASP 32 -20.124 35.236 73.318 1.00 0.00 0.163 HD +ATOM 315 CA ASP 32 -22.005 35.616 74.293 0.00 0.00 0.186 C +ATOM 316 C ASP 32 -23.082 36.367 73.516 0.00 0.00 0.241 C +ATOM 317 O ASP 32 -24.257 36.323 73.880 0.00 0.00 -0.271 OA +ATOM 318 CB ASP 32 -21.247 36.612 75.190 0.00 0.00 0.147 C +ATOM 319 CG ASP 32 -20.376 35.973 76.273 0.00 0.00 0.175 C +ATOM 320 OD1 ASP 32 -20.338 34.742 76.419 0.00 0.00 -0.648 OA +ATOM 321 OD2 ASP 32 -19.707 36.806 76.997 0.00 0.00 -0.648 OA +ATOM 322 N ASP 33 -22.676 37.102 72.487 0.00 0.00 -0.345 N +ATOM 323 HN ASP 33 -21.681 37.147 72.266 1.00 0.00 0.163 HD +ATOM 324 CA ASP 33 -23.626 37.846 71.666 0.00 0.00 0.186 C +ATOM 325 C ASP 33 -24.648 36.880 71.058 0.00 0.00 0.241 C +ATOM 326 O ASP 33 -25.841 37.196 70.933 0.00 0.00 -0.271 OA +ATOM 327 CB ASP 33 -22.877 38.574 70.534 0.00 0.00 0.147 C +ATOM 328 CG ASP 33 -21.910 39.666 70.997 0.00 0.00 0.175 C +ATOM 329 OD1 ASP 33 -21.638 39.811 72.198 0.00 0.00 -0.648 OA +ATOM 330 OD2 ASP 33 -21.421 40.397 70.053 0.00 0.00 -0.648 OA +ATOM 331 N MET 34 -24.146 35.709 70.666 0.00 0.00 -0.346 N +ATOM 332 HN MET 34 -23.147 35.545 70.787 1.00 0.00 0.163 HD +ATOM 333 CA MET 34 -24.955 34.653 70.074 0.00 0.00 0.177 C +ATOM 334 C MET 34 -25.992 34.140 71.075 0.00 0.00 0.241 C +ATOM 335 O MET 34 -27.160 34.008 70.735 0.00 0.00 -0.271 OA +ATOM 336 CB MET 34 -24.057 33.504 69.579 0.00 0.00 0.045 C +ATOM 337 CG MET 34 -23.537 33.784 68.167 0.00 0.00 0.076 C +ATOM 338 SD MET 34 -22.504 32.401 67.600 0.00 0.00 -0.173 SA +ATOM 339 CE MET 34 -23.765 31.101 67.459 0.00 0.00 0.089 C +ATOM 340 N PHE 35 -25.560 33.839 72.295 0.00 0.00 -0.346 N +ATOM 341 HN PHE 35 -24.566 33.932 72.503 1.00 0.00 0.163 HD +ATOM 342 CA PHE 35 -26.464 33.378 73.350 0.00 0.00 0.180 C +ATOM 343 C PHE 35 -27.525 34.445 73.657 0.00 0.00 0.241 C +ATOM 344 O PHE 35 -28.720 34.150 73.749 0.00 0.00 -0.271 OA +ATOM 345 CB PHE 35 -25.662 33.099 74.635 0.00 0.00 0.073 C +ATOM 346 CG PHE 35 -25.254 31.644 74.825 0.00 0.00 -0.056 A +ATOM 347 CD1 PHE 35 -23.917 31.313 75.147 0.00 0.00 0.007 A +ATOM 348 CD2 PHE 35 -26.211 30.614 74.673 0.00 0.00 0.007 A +ATOM 349 CE1 PHE 35 -23.542 29.963 75.317 0.00 0.00 0.001 A +ATOM 350 CE2 PHE 35 -25.835 29.265 74.844 0.00 0.00 0.001 A +ATOM 351 CZ PHE 35 -24.500 28.939 75.167 0.00 0.00 0.000 A +ATOM 352 N GLU 36 -27.062 35.688 73.778 0.00 0.00 -0.346 N +ATOM 353 HN GLU 36 -26.058 35.827 73.666 1.00 0.00 0.163 HD +ATOM 354 CA GLU 36 -27.874 36.866 74.057 0.00 0.00 0.177 C +ATOM 355 C GLU 36 -28.947 37.091 72.982 0.00 0.00 0.241 C +ATOM 356 O GLU 36 -30.068 37.528 73.272 0.00 0.00 -0.271 OA +ATOM 357 CB GLU 36 -26.914 38.068 74.129 0.00 0.00 0.045 C +ATOM 358 CG GLU 36 -27.676 39.361 74.428 0.00 0.00 0.116 C +ATOM 359 CD GLU 36 -26.711 40.512 74.720 0.00 0.00 0.172 C +ATOM 360 OE1 GLU 36 -25.496 40.289 74.825 0.00 0.00 -0.648 OA +ATOM 361 OE2 GLU 36 -27.264 41.671 74.837 0.00 0.00 -0.648 OA +ATOM 362 N THR 37 -28.578 36.825 71.734 0.00 0.00 -0.344 N +ATOM 363 HN THR 37 -27.622 36.514 71.560 1.00 0.00 0.163 HD +ATOM 364 CA THR 37 -29.487 36.960 70.604 0.00 0.00 0.205 C +ATOM 365 C THR 37 -30.464 35.767 70.616 0.00 0.00 0.243 C +ATOM 366 O THR 37 -31.647 35.920 70.318 0.00 0.00 -0.271 OA +ATOM 367 CB THR 37 -28.694 36.993 69.284 0.00 0.00 0.146 C +ATOM 368 OG1 THR 37 -27.807 38.097 69.439 0.00 0.00 -0.393 OA +ATOM 369 CG2 THR 37 -29.566 37.380 68.087 0.00 0.00 0.042 C +ATOM 370 HOG THR 37 -27.279 38.182 68.654 0.00 0.00 0.210 HD +ATOM 371 N MET 38 -29.957 34.593 70.989 0.00 0.00 -0.346 N +ATOM 372 HN MET 38 -28.968 34.548 71.234 1.00 0.00 0.163 HD +ATOM 373 CA MET 38 -30.749 33.364 71.065 0.00 0.00 0.177 C +ATOM 374 C MET 38 -31.869 33.506 72.100 0.00 0.00 0.241 C +ATOM 375 O MET 38 -33.039 33.210 71.826 0.00 0.00 -0.271 OA +ATOM 376 CB MET 38 -29.853 32.167 71.436 0.00 0.00 0.045 C +ATOM 377 CG MET 38 -30.663 30.871 71.485 0.00 0.00 0.076 C +ATOM 378 SD MET 38 -29.655 29.534 72.189 0.00 0.00 -0.173 SA +ATOM 379 CE MET 38 -30.081 29.708 73.947 0.00 0.00 0.089 C +ATOM 380 N TYR 39 -31.492 33.952 73.291 0.00 0.00 -0.346 N +ATOM 381 HN TYR 39 -30.506 34.159 73.454 1.00 0.00 0.163 HD +ATOM 382 CA TYR 39 -32.441 34.154 74.367 0.00 0.00 0.180 C +ATOM 383 C TYR 39 -33.429 35.280 74.019 0.00 0.00 0.241 C +ATOM 384 O TYR 39 -34.623 35.160 74.267 0.00 0.00 -0.271 OA +ATOM 385 CB TYR 39 -31.683 34.472 75.670 0.00 0.00 0.073 C +ATOM 386 CG TYR 39 -30.871 33.311 76.227 0.00 0.00 -0.056 A +ATOM 387 CD1 TYR 39 -29.607 33.540 76.817 0.00 0.00 0.010 A +ATOM 388 CD2 TYR 39 -31.377 31.993 76.150 0.00 0.00 0.010 A +ATOM 389 CE1 TYR 39 -28.856 32.461 77.329 0.00 0.00 0.037 A +ATOM 390 CE2 TYR 39 -30.627 30.913 76.662 0.00 0.00 0.037 A +ATOM 391 CZ TYR 39 -29.366 31.146 77.253 0.00 0.00 0.065 A +ATOM 392 OH TYR 39 -28.643 30.098 77.748 0.00 0.00 -0.361 OA +ATOM 393 HOH TYR 39 -27.827 30.427 78.107 0.00 0.00 0.217 HD +ATOM 394 N ALA 40 -32.941 36.336 73.380 0.00 0.00 -0.346 N +ATOM 395 HN ALA 40 -31.948 36.366 73.149 1.00 0.00 0.163 HD +ATOM 396 CA ALA 40 -33.796 37.453 73.002 0.00 0.00 0.172 C +ATOM 397 C ALA 40 -34.875 37.053 72.008 0.00 0.00 0.240 C +ATOM 398 O ALA 40 -36.012 37.534 72.084 0.00 0.00 -0.271 OA +ATOM 399 CB ALA 40 -32.956 38.598 72.406 0.00 0.00 0.042 C +ATOM 400 N GLU 41 -34.512 36.199 71.057 0.00 0.00 -0.346 N +ATOM 401 HN GLU 41 -33.558 35.839 71.047 1.00 0.00 0.163 HD +ATOM 402 CA GLU 41 -35.449 35.766 70.027 0.00 0.00 0.177 C +ATOM 403 C GLU 41 -36.228 34.525 70.410 0.00 0.00 0.241 C +ATOM 404 O GLU 41 -36.950 33.965 69.591 0.00 0.00 -0.271 OA +ATOM 405 CB GLU 41 -34.721 35.541 68.689 0.00 0.00 0.045 C +ATOM 406 CG GLU 41 -33.878 36.760 68.311 0.00 0.00 0.116 C +ATOM 407 CD GLU 41 -34.742 38.020 68.229 0.00 0.00 0.172 C +ATOM 408 OE1 GLU 41 -35.741 38.040 67.494 0.00 0.00 -0.648 OA +ATOM 409 OE2 GLU 41 -34.345 39.003 68.964 0.00 0.00 -0.648 OA +ATOM 410 N GLU 42 -36.089 34.104 71.658 0.00 0.00 -0.346 N +ATOM 411 HN GLU 42 -35.469 34.612 72.289 1.00 0.00 0.163 HD +ATOM 412 CA GLU 42 -36.801 32.932 72.151 0.00 0.00 0.177 C +ATOM 413 C GLU 42 -36.454 31.654 71.369 0.00 0.00 0.240 C +ATOM 414 O GLU 42 -37.308 30.801 71.120 0.00 0.00 -0.271 OA +ATOM 415 CB GLU 42 -38.319 33.193 72.155 0.00 0.00 0.045 C +ATOM 416 CG GLU 42 -38.676 34.336 73.107 0.00 0.00 0.116 C +ATOM 417 CD GLU 42 -40.157 34.705 72.989 0.00 0.00 0.172 C +ATOM 418 OE1 GLU 42 -41.022 33.819 73.044 0.00 0.00 -0.648 OA +ATOM 419 OE2 GLU 42 -40.395 35.963 72.837 0.00 0.00 -0.648 OA +ATOM 420 N GLY 43 -35.186 31.544 70.984 0.00 0.00 -0.351 N +ATOM 421 HN GLY 43 -34.531 32.298 71.193 1.00 0.00 0.163 HD +ATOM 422 CA GLY 43 -34.720 30.374 70.274 0.00 0.00 0.225 C +ATOM 423 C GLY 43 -34.045 29.437 71.257 0.00 0.00 0.236 C +ATOM 424 O GLY 43 -33.557 29.864 72.304 0.00 0.00 -0.272 OA +ATOM 425 N ILE 44 -34.028 28.153 70.936 0.00 0.00 -0.346 N +ATOM 426 HN ILE 44 -34.462 27.850 70.064 1.00 0.00 0.163 HD +ATOM 427 CA ILE 44 -33.403 27.164 71.802 0.00 0.00 0.180 C +ATOM 428 C ILE 44 -31.950 26.857 71.335 0.00 0.00 0.241 C +ATOM 429 O ILE 44 -31.142 26.261 72.070 0.00 0.00 -0.271 OA +ATOM 430 CB ILE 44 -34.326 25.936 71.912 0.00 0.00 0.013 C +ATOM 431 CG1 ILE 44 -34.949 25.842 73.307 0.00 0.00 0.002 C +ATOM 432 CG2 ILE 44 -33.582 24.655 71.529 0.00 0.00 0.012 C +ATOM 433 CD1 ILE 44 -35.799 27.077 73.612 0.00 0.00 0.005 C +ATOM 434 N GLY 45 -31.610 27.337 70.139 0.00 0.00 -0.351 N +ATOM 435 HN GLY 45 -32.296 27.857 69.591 1.00 0.00 0.163 HD +ATOM 436 CA GLY 45 -30.277 27.129 69.607 0.00 0.00 0.225 C +ATOM 437 C GLY 45 -29.934 28.234 68.628 0.00 0.00 0.236 C +ATOM 438 O GLY 45 -30.840 28.974 68.199 0.00 0.00 -0.272 OA +ATOM 439 N LEU 46 -28.643 28.350 68.279 0.00 0.00 -0.346 N +ATOM 440 HN LEU 46 -27.965 27.710 68.693 1.00 0.00 0.163 HD +ATOM 441 CA LEU 46 -28.167 29.361 67.326 0.00 0.00 0.177 C +ATOM 442 C LEU 46 -26.792 29.000 66.718 0.00 0.00 0.241 C +ATOM 443 O LEU 46 -25.935 28.425 67.387 0.00 0.00 -0.271 OA +ATOM 444 CB LEU 46 -28.095 30.742 68.004 0.00 0.00 0.038 C +ATOM 445 CG LEU 46 -28.070 31.950 67.064 0.00 0.00 -0.020 C +ATOM 446 CD1 LEU 46 -29.465 32.238 66.505 0.00 0.00 0.009 C +ATOM 447 CD2 LEU 46 -27.467 33.172 67.759 0.00 0.00 0.009 C +ATOM 448 N ALA 47 -26.636 29.284 65.426 0.00 0.00 -0.346 N +ATOM 449 HN ALA 47 -27.424 29.691 64.922 1.00 0.00 0.163 HD +ATOM 450 CA ALA 47 -25.396 29.043 64.692 0.00 0.00 0.172 C +ATOM 451 C ALA 47 -24.879 30.410 64.203 0.00 0.00 0.240 C +ATOM 452 O ALA 47 -25.667 31.248 63.739 0.00 0.00 -0.271 OA +ATOM 453 CB ALA 47 -25.654 28.096 63.505 0.00 0.00 0.042 C +ATOM 454 N ALA 48 -23.568 30.645 64.309 0.00 0.00 -0.346 N +ATOM 455 HN ALA 48 -22.964 29.910 64.678 1.00 0.00 0.163 HD +ATOM 456 CA ALA 48 -22.964 31.930 63.911 0.00 0.00 0.172 C +ATOM 457 C ALA 48 -23.393 32.471 62.554 0.00 0.00 0.240 C +ATOM 458 O ALA 48 -23.594 33.673 62.394 0.00 0.00 -0.271 OA +ATOM 459 CB ALA 48 -21.428 31.849 63.981 0.00 0.00 0.042 C +ATOM 460 N THR 49 -23.563 31.583 61.587 0.00 0.00 -0.344 N +ATOM 461 HN THR 49 -23.399 30.597 61.792 1.00 0.00 0.163 HD +ATOM 462 CA THR 49 -23.976 31.960 60.239 0.00 0.00 0.205 C +ATOM 463 C THR 49 -25.218 32.877 60.133 0.00 0.00 0.243 C +ATOM 464 O THR 49 -25.285 33.763 59.261 0.00 0.00 -0.271 OA +ATOM 465 CB THR 49 -24.243 30.687 59.415 0.00 0.00 0.146 C +ATOM 466 OG1 THR 49 -23.053 29.918 59.568 0.00 0.00 -0.393 OA +ATOM 467 CG2 THR 49 -24.315 30.966 57.912 0.00 0.00 0.042 C +ATOM 468 HOG THR 49 -23.144 29.107 59.082 0.00 0.00 0.210 HD +ATOM 469 N GLN 50 -26.193 32.654 61.016 0.00 0.00 -0.346 N +ATOM 470 HN GLN 50 -26.059 31.923 61.715 1.00 0.00 0.163 HD +ATOM 471 CA GLN 50 -27.454 33.416 61.026 0.00 0.00 0.177 C +ATOM 472 C GLN 50 -27.231 34.853 61.420 0.00 0.00 0.241 C +ATOM 473 O GLN 50 -28.061 35.716 61.158 0.00 0.00 -0.271 OA +ATOM 474 CB GLN 50 -28.429 32.802 62.048 0.00 0.00 0.044 C +ATOM 475 CG GLN 50 -28.602 31.301 61.808 0.00 0.00 0.105 C +ATOM 476 CD GLN 50 -29.636 30.708 62.767 0.00 0.00 0.215 C +ATOM 477 OE1 GLN 50 -29.328 29.909 63.636 0.00 0.00 -0.274 OA +ATOM 478 NE2 GLN 50 -30.876 31.143 62.562 0.00 0.00 -0.370 N +ATOM 479 1HE2 GLN 50 -31.134 31.811 61.835 1.00 0.00 0.159 HD +ATOM 480 2HE2 GLN 50 -31.565 30.748 63.201 1.00 0.00 0.159 HD +ATOM 481 N VAL 51 -26.126 35.083 62.115 0.00 0.00 -0.346 N +ATOM 482 HN VAL 51 -25.510 34.300 62.332 1.00 0.00 0.163 HD +ATOM 483 CA VAL 51 -25.761 36.409 62.578 0.00 0.00 0.180 C +ATOM 484 C VAL 51 -24.754 37.106 61.640 0.00 0.00 0.241 C +ATOM 485 O VAL 51 -24.409 38.268 61.840 0.00 0.00 -0.271 OA +ATOM 486 CB VAL 51 -25.267 36.297 64.032 0.00 0.00 0.009 C +ATOM 487 CG1 VAL 51 -24.294 37.429 64.369 0.00 0.00 0.012 C +ATOM 488 CG2 VAL 51 -26.443 36.276 65.011 0.00 0.00 0.012 C +ATOM 489 N ASP 52 -24.370 36.419 60.566 0.00 0.00 -0.345 N +ATOM 490 HN ASP 52 -24.754 35.485 60.424 1.00 0.00 0.163 HD +ATOM 491 CA ASP 52 -23.421 36.941 59.578 0.00 0.00 0.186 C +ATOM 492 C ASP 52 -21.968 36.743 60.041 0.00 0.00 0.241 C +ATOM 493 O ASP 52 -21.073 37.482 59.635 0.00 0.00 -0.271 OA +ATOM 494 CB ASP 52 -23.723 38.417 59.260 0.00 0.00 0.147 C +ATOM 495 CG ASP 52 -23.149 38.924 57.935 0.00 0.00 0.175 C +ATOM 496 OD1 ASP 52 -22.859 38.136 57.022 0.00 0.00 -0.648 OA +ATOM 497 OD2 ASP 52 -23.000 40.203 57.859 0.00 0.00 -0.648 OA +ATOM 498 N ILE 53 -21.752 35.747 60.899 0.00 0.00 -0.346 N +ATOM 499 HN ILE 53 -22.546 35.195 61.223 1.00 0.00 0.163 HD +ATOM 500 CA ILE 53 -20.413 35.417 61.393 0.00 0.00 0.180 C +ATOM 501 C ILE 53 -20.102 34.016 60.875 0.00 0.00 0.241 C +ATOM 502 O ILE 53 -20.590 33.008 61.398 0.00 0.00 -0.271 OA +ATOM 503 CB ILE 53 -20.316 35.482 62.929 0.00 0.00 0.013 C +ATOM 504 CG1 ILE 53 -20.385 36.929 63.422 0.00 0.00 0.002 C +ATOM 505 CG2 ILE 53 -19.062 34.764 63.430 0.00 0.00 0.012 C +ATOM 506 CD1 ILE 53 -20.416 36.986 64.950 0.00 0.00 0.005 C +ATOM 507 N HIS 54 -19.258 33.956 59.856 0.00 0.00 -0.346 N +ATOM 508 HN HIS 54 -18.824 34.812 59.511 1.00 0.00 0.163 HD +ATOM 509 CA HIS 54 -18.945 32.695 59.228 0.00 0.00 0.182 C +ATOM 510 C HIS 54 -17.816 31.819 59.774 0.00 0.00 0.241 C +ATOM 511 O HIS 54 -16.825 31.534 59.078 0.00 0.00 -0.271 OA +ATOM 512 CB HIS 54 -18.877 32.907 57.704 0.00 0.00 0.093 C +ATOM 513 CG HIS 54 -20.110 33.552 57.118 0.00 0.00 0.028 A +ATOM 514 ND1 HIS 54 -20.218 34.916 56.914 0.00 0.00 -0.354 N +ATOM 515 HD1 HIS 54 -19.502 35.610 57.130 1.00 0.00 0.166 HD +ATOM 516 CD2 HIS 54 -21.285 33.005 56.694 0.00 0.00 0.114 A +ATOM 517 CE1 HIS 54 -21.409 35.168 56.391 0.00 0.00 0.180 A +ATOM 518 NE2 HIS 54 -22.069 33.982 56.256 0.00 0.00 -0.360 N +ATOM 519 HE2 HIS 54 -23.010 33.865 55.880 1.00 0.00 0.166 HD +ATOM 520 N GLN 55 -18.043 31.315 60.988 0.00 0.00 -0.346 N +ATOM 521 HN GLN 55 -18.911 31.575 61.456 1.00 0.00 0.163 HD +ATOM 522 CA GLN 55 -17.130 30.414 61.693 0.00 0.00 0.177 C +ATOM 523 C GLN 55 -17.979 29.314 62.332 0.00 0.00 0.241 C +ATOM 524 O GLN 55 -19.146 29.538 62.632 0.00 0.00 -0.271 OA +ATOM 525 CB GLN 55 -16.341 31.155 62.788 0.00 0.00 0.044 C +ATOM 526 CG GLN 55 -15.387 32.183 62.177 0.00 0.00 0.105 C +ATOM 527 CD GLN 55 -14.393 32.697 63.220 0.00 0.00 0.215 C +ATOM 528 OE1 GLN 55 -14.452 33.831 63.666 0.00 0.00 -0.274 OA +ATOM 529 NE2 GLN 55 -13.478 31.802 63.582 0.00 0.00 -0.370 N +ATOM 530 1HE2 GLN 55 -13.429 30.854 63.209 1.00 0.00 0.159 HD +ATOM 531 2HE2 GLN 55 -12.815 32.145 64.277 1.00 0.00 0.159 HD +ATOM 532 N ARG 56 -17.395 28.140 62.560 0.00 0.00 -0.346 N +ATOM 533 HN ARG 56 -16.407 28.025 62.332 1.00 0.00 0.163 HD +ATOM 534 CA ARG 56 -18.128 27.013 63.127 0.00 0.00 0.176 C +ATOM 535 C ARG 56 -18.429 27.085 64.600 0.00 0.00 0.241 C +ATOM 536 O ARG 56 -17.891 26.309 65.395 0.00 0.00 -0.271 OA +ATOM 537 CB ARG 56 -17.407 25.683 62.841 0.00 0.00 0.036 C +ATOM 538 CG ARG 56 -17.107 25.531 61.349 0.00 0.00 0.023 C +ATOM 539 CD ARG 56 -16.628 24.114 61.027 0.00 0.00 0.138 C +ATOM 540 NE ARG 56 -17.587 23.451 60.115 0.00 0.00 -0.227 N +ATOM 541 HE ARG 56 -17.715 23.849 59.184 1.00 0.00 0.177 HD +ATOM 542 CZ ARG 56 -18.303 22.353 60.438 0.00 0.00 0.665 C +ATOM 543 NH1 ARG 56 -18.152 21.813 61.655 0.00 0.00 -0.235 N +ATOM 544 1HH1 ARG 56 -17.506 22.226 62.328 1.00 0.00 0.174 HD +ATOM 545 2HH1 ARG 56 -18.693 20.983 61.899 1.00 0.00 0.174 HD +ATOM 546 NH2 ARG 56 -19.152 21.811 59.554 0.00 0.00 -0.235 N +ATOM 547 1HH2 ARG 56 -19.267 22.222 58.628 1.00 0.00 0.174 HD +ATOM 548 2HH2 ARG 56 -19.693 20.981 59.798 1.00 0.00 0.174 HD +ATOM 549 N ILE 57 -19.322 27.996 64.959 0.00 0.00 -0.346 N +ATOM 550 HN ILE 57 -19.737 28.597 64.247 1.00 0.00 0.163 HD +ATOM 551 CA ILE 57 -19.720 28.156 66.343 0.00 0.00 0.180 C +ATOM 552 C ILE 57 -21.233 27.945 66.444 0.00 0.00 0.241 C +ATOM 553 O ILE 57 -22.004 28.459 65.622 0.00 0.00 -0.271 OA +ATOM 554 CB ILE 57 -19.384 29.559 66.883 0.00 0.00 0.013 C +ATOM 555 CG1 ILE 57 -17.924 29.919 66.602 0.00 0.00 0.002 C +ATOM 556 CG2 ILE 57 -19.727 29.671 68.369 0.00 0.00 0.012 C +ATOM 557 CD1 ILE 57 -17.693 31.425 66.748 0.00 0.00 0.005 C +ATOM 558 N ILE 58 -21.638 27.185 67.455 0.00 0.00 -0.346 N +ATOM 559 HN ILE 58 -20.934 26.786 68.076 1.00 0.00 0.163 HD +ATOM 560 CA ILE 58 -23.050 26.893 67.720 0.00 0.00 0.180 C +ATOM 561 C ILE 58 -23.299 26.953 69.226 0.00 0.00 0.241 C +ATOM 562 O ILE 58 -22.511 26.426 70.010 0.00 0.00 -0.271 OA +ATOM 563 CB ILE 58 -23.411 25.467 67.265 0.00 0.00 0.013 C +ATOM 564 CG1 ILE 58 -23.482 25.380 65.739 0.00 0.00 0.002 C +ATOM 565 CG2 ILE 58 -24.706 24.991 67.927 0.00 0.00 0.012 C +ATOM 566 CD1 ILE 58 -23.338 23.933 65.264 0.00 0.00 0.005 C +ATOM 567 N VAL 59 -24.371 27.632 69.623 0.00 0.00 -0.346 N +ATOM 568 HN VAL 59 -24.935 28.118 68.925 1.00 0.00 0.163 HD +ATOM 569 CA VAL 59 -24.768 27.704 71.034 0.00 0.00 0.180 C +ATOM 570 C VAL 59 -26.176 27.072 71.120 0.00 0.00 0.241 C +ATOM 571 O VAL 59 -26.996 27.230 70.215 0.00 0.00 -0.271 OA +ATOM 572 CB VAL 59 -24.738 29.142 71.585 0.00 0.00 0.009 C +ATOM 573 CG1 VAL 59 -23.345 29.757 71.437 0.00 0.00 0.012 C +ATOM 574 CG2 VAL 59 -25.797 30.012 70.905 0.00 0.00 0.012 C +ATOM 575 N ILE 60 -26.409 26.306 72.172 0.00 0.00 -0.346 N +ATOM 576 HN ILE 60 -25.672 26.201 72.870 1.00 0.00 0.163 HD +ATOM 577 CA ILE 60 -27.667 25.605 72.382 0.00 0.00 0.180 C +ATOM 578 C ILE 60 -28.020 25.650 73.870 0.00 0.00 0.241 C +ATOM 579 O ILE 60 -27.162 25.404 74.724 0.00 0.00 -0.271 OA +ATOM 580 CB ILE 60 -27.523 24.119 72.006 0.00 0.00 0.013 C +ATOM 581 CG1 ILE 60 -27.531 23.935 70.487 0.00 0.00 0.002 C +ATOM 582 CG2 ILE 60 -28.596 23.272 72.692 0.00 0.00 0.012 C +ATOM 583 CD1 ILE 60 -27.204 22.489 70.108 0.00 0.00 0.005 C +ATOM 584 N ASP 61 -29.275 25.976 74.179 0.00 0.00 -0.345 N +ATOM 585 HN ASP 61 -29.918 26.235 73.431 1.00 0.00 0.163 HD +ATOM 586 CA ASP 61 -29.754 25.972 75.558 0.00 0.00 0.186 C +ATOM 587 C ASP 61 -31.226 25.582 75.548 0.00 0.00 0.241 C +ATOM 588 O ASP 61 -32.097 26.333 75.078 0.00 0.00 -0.271 OA +ATOM 589 CB ASP 61 -29.566 27.317 76.284 0.00 0.00 0.147 C +ATOM 590 CG ASP 61 -29.884 27.294 77.780 0.00 0.00 0.175 C +ATOM 591 OD1 ASP 61 -30.090 26.224 78.373 0.00 0.00 -0.648 OA +ATOM 592 OD2 ASP 61 -29.918 28.452 78.349 0.00 0.00 -0.648 OA +ATOM 593 N VAL 62 -31.471 24.399 76.097 0.00 0.00 -0.346 N +ATOM 594 HN VAL 62 -30.689 23.886 76.503 1.00 0.00 0.163 HD +ATOM 595 CA VAL 62 -32.789 23.795 76.152 0.00 0.00 0.180 C +ATOM 596 C VAL 62 -33.504 23.907 77.512 0.00 0.00 0.241 C +ATOM 597 O VAL 62 -34.710 23.684 77.605 0.00 0.00 -0.271 OA +ATOM 598 CB VAL 62 -32.664 22.319 75.732 0.00 0.00 0.009 C +ATOM 599 CG1 VAL 62 -34.043 21.689 75.525 0.00 0.00 0.012 C +ATOM 600 CG2 VAL 62 -31.803 22.178 74.475 0.00 0.00 0.012 C +ATOM 601 N SER 63 -32.767 24.294 78.548 0.00 0.00 -0.344 N +ATOM 602 HN SER 63 -31.782 24.512 78.399 1.00 0.00 0.163 HD +ATOM 603 CA SER 63 -33.322 24.418 79.895 0.00 0.00 0.200 C +ATOM 604 C SER 63 -34.392 25.503 80.034 0.00 0.00 0.243 C +ATOM 605 O SER 63 -34.217 26.612 79.554 0.00 0.00 -0.271 OA +ATOM 606 CB SER 63 -32.190 24.693 80.903 0.00 0.00 0.199 C +ATOM 607 OG SER 63 -31.607 25.979 80.712 0.00 0.00 -0.398 OA +ATOM 608 HOG SER 63 -30.917 26.104 81.353 0.00 0.00 0.209 HD +ATOM 609 N GLU 64 -35.471 25.182 80.739 0.00 0.00 -0.346 N +ATOM 610 HN GLU 64 -35.533 24.242 81.130 1.00 0.00 0.163 HD +ATOM 611 CA GLU 64 -36.576 26.113 80.983 0.00 0.00 0.177 C +ATOM 612 C GLU 64 -36.076 27.378 81.672 0.00 0.00 0.241 C +ATOM 613 O GLU 64 -36.529 28.498 81.416 0.00 0.00 -0.271 OA +ATOM 614 CB GLU 64 -37.602 25.437 81.911 0.00 0.00 0.045 C +ATOM 615 CG GLU 64 -38.481 26.478 82.608 0.00 0.00 0.116 C +ATOM 616 CD GLU 64 -39.277 25.846 83.751 0.00 0.00 0.172 C +ATOM 617 OE1 GLU 64 -38.741 25.008 84.492 0.00 0.00 -0.648 OA +ATOM 618 OE2 GLU 64 -40.496 26.255 83.858 0.00 0.00 -0.648 OA +ATOM 619 N ASN 65 -35.151 27.150 82.584 0.00 0.00 -0.346 N +ATOM 620 HN ASN 65 -34.840 26.188 82.721 1.00 0.00 0.163 HD +ATOM 621 CA ASN 65 -34.551 28.182 83.402 0.00 0.00 0.185 C +ATOM 622 C ASN 65 -33.387 28.946 82.752 0.00 0.00 0.241 C +ATOM 623 O ASN 65 -32.827 29.858 83.368 0.00 0.00 -0.271 OA +ATOM 624 CB ASN 65 -34.115 27.534 84.729 0.00 0.00 0.137 C +ATOM 625 CG ASN 65 -33.869 26.034 84.552 0.00 0.00 0.217 C +ATOM 626 OD1 ASN 65 -34.670 25.198 84.937 0.00 0.00 -0.274 OA +ATOM 627 ND2 ASN 65 -32.720 25.742 83.951 0.00 0.00 -0.370 N +ATOM 628 1HD2 ASN 65 -32.556 24.742 83.833 1.00 0.00 0.159 HD +ATOM 629 2HD2 ASN 65 -32.050 26.441 83.629 1.00 0.00 0.159 HD +ATOM 630 N ARG 66 -33.074 28.619 81.496 0.00 0.00 -0.346 N +ATOM 631 HN ARG 66 -33.628 27.902 81.027 1.00 0.00 0.163 HD +ATOM 632 CA ARG 66 -31.967 29.244 80.757 0.00 0.00 0.176 C +ATOM 633 C ARG 66 -30.624 29.179 81.507 0.00 0.00 0.241 C +ATOM 634 O ARG 66 -29.906 30.168 81.588 0.00 0.00 -0.271 OA +ATOM 635 CB ARG 66 -32.285 30.708 80.399 0.00 0.00 0.036 C +ATOM 636 CG ARG 66 -33.422 30.788 79.378 0.00 0.00 0.023 C +ATOM 637 CD ARG 66 -33.649 32.231 78.923 0.00 0.00 0.138 C +ATOM 638 NE ARG 66 -34.921 32.331 78.174 0.00 0.00 -0.227 N +ATOM 639 HE ARG 66 -35.371 31.465 77.877 1.00 0.00 0.177 HD +ATOM 640 CZ ARG 66 -35.524 33.498 77.859 0.00 0.00 0.665 C +ATOM 641 NH1 ARG 66 -34.952 34.648 78.238 0.00 0.00 -0.235 N +ATOM 642 1HH1 ARG 66 -34.074 34.643 78.757 1.00 0.00 0.174 HD +ATOM 643 2HH1 ARG 66 -35.407 35.529 78.000 1.00 0.00 0.174 HD +ATOM 644 NH2 ARG 66 -36.677 33.504 77.177 0.00 0.00 -0.235 N +ATOM 645 1HH2 ARG 66 -37.113 32.628 76.888 1.00 0.00 0.174 HD +ATOM 646 2HH2 ARG 66 -37.132 34.385 76.939 1.00 0.00 0.174 HD +ATOM 647 N ASP 67 -30.270 28.006 82.023 0.00 0.00 -0.346 N +ATOM 648 HN ASP 67 -30.883 27.200 81.902 1.00 0.00 0.163 HD +ATOM 649 CA ASP 67 -29.017 27.852 82.762 0.00 0.00 0.186 C +ATOM 650 C ASP 67 -28.300 26.528 82.530 0.00 0.00 0.241 C +ATOM 651 O ASP 67 -27.741 25.936 83.457 0.00 0.00 -0.271 OA +ATOM 652 CB ASP 67 -29.240 28.061 84.271 0.00 0.00 0.147 C +ATOM 653 CG ASP 67 -30.355 27.211 84.884 0.00 0.00 0.175 C +ATOM 654 OD1 ASP 67 -30.300 25.972 84.860 0.00 0.00 -0.648 OA +ATOM 655 OD2 ASP 67 -31.324 27.880 85.410 0.00 0.00 -0.648 OA +ATOM 656 N GLU 68 -28.350 26.052 81.294 0.00 0.00 -0.346 N +ATOM 657 HN GLU 68 -28.868 26.575 80.587 1.00 0.00 0.163 HD +ATOM 658 CA GLU 68 -27.694 24.812 80.907 0.00 0.00 0.177 C +ATOM 659 C GLU 68 -27.190 25.084 79.499 0.00 0.00 0.241 C +ATOM 660 O GLU 68 -27.811 24.686 78.512 0.00 0.00 -0.271 OA +ATOM 661 CB GLU 68 -28.690 23.638 80.924 0.00 0.00 0.045 C +ATOM 662 CG GLU 68 -29.195 23.368 82.343 0.00 0.00 0.116 C +ATOM 663 CD GLU 68 -30.185 22.201 82.360 0.00 0.00 0.172 C +ATOM 664 OE1 GLU 68 -30.473 21.617 81.305 0.00 0.00 -0.648 OA +ATOM 665 OE2 GLU 68 -30.660 21.906 83.522 0.00 0.00 -0.648 OA +ATOM 666 N ARG 69 -26.115 25.864 79.426 0.00 0.00 -0.346 N +ATOM 667 HN ARG 69 -25.702 26.206 80.294 1.00 0.00 0.163 HD +ATOM 668 CA ARG 69 -25.500 26.252 78.163 0.00 0.00 0.176 C +ATOM 669 C ARG 69 -24.633 25.149 77.536 0.00 0.00 0.241 C +ATOM 670 O ARG 69 -23.955 24.388 78.233 0.00 0.00 -0.271 OA +ATOM 671 CB ARG 69 -24.692 27.548 78.361 0.00 0.00 0.036 C +ATOM 672 CG ARG 69 -25.610 28.715 78.730 0.00 0.00 0.023 C +ATOM 673 CD ARG 69 -24.806 30.002 78.931 0.00 0.00 0.138 C +ATOM 674 NE ARG 69 -25.632 31.176 78.572 0.00 0.00 -0.227 N +ATOM 675 HE ARG 69 -26.646 31.082 78.627 1.00 0.00 0.177 HD +ATOM 676 CZ ARG 69 -25.128 32.364 78.176 0.00 0.00 0.665 C +ATOM 677 NH1 ARG 69 -23.798 32.510 78.095 0.00 0.00 -0.235 N +ATOM 678 1HH1 ARG 69 -23.177 31.736 78.330 1.00 0.00 0.174 HD +ATOM 679 2HH1 ARG 69 -23.417 33.408 77.796 1.00 0.00 0.174 HD +ATOM 680 NH2 ARG 69 -25.944 33.381 77.867 0.00 0.00 -0.235 N +ATOM 681 1HH2 ARG 69 -26.956 33.270 77.929 1.00 0.00 0.174 HD +ATOM 682 2HH2 ARG 69 -25.563 34.279 77.568 1.00 0.00 0.174 HD +ATOM 683 N LEU 70 -24.734 25.022 76.219 0.00 0.00 -0.346 N +ATOM 684 HN LEU 70 -25.371 25.639 75.715 1.00 0.00 0.163 HD +ATOM 685 CA LEU 70 -23.970 24.035 75.462 0.00 0.00 0.177 C +ATOM 686 C LEU 70 -23.327 24.803 74.315 0.00 0.00 0.241 C +ATOM 687 O LEU 70 -24.016 25.513 73.571 0.00 0.00 -0.271 OA +ATOM 688 CB LEU 70 -24.898 22.938 74.906 0.00 0.00 0.038 C +ATOM 689 CG LEU 70 -24.216 21.820 74.115 0.00 0.00 -0.020 C +ATOM 690 CD1 LEU 70 -23.362 20.943 75.033 0.00 0.00 0.009 C +ATOM 691 CD2 LEU 70 -25.241 21.001 73.330 0.00 0.00 0.009 C +ATOM 692 N VAL 71 -22.002 24.709 74.226 0.00 0.00 -0.346 N +ATOM 693 HN VAL 71 -21.504 24.143 74.912 1.00 0.00 0.163 HD +ATOM 694 CA VAL 71 -21.234 25.386 73.183 0.00 0.00 0.180 C +ATOM 695 C VAL 71 -20.555 24.345 72.289 0.00 0.00 0.241 C +ATOM 696 O VAL 71 -19.862 23.448 72.778 0.00 0.00 -0.271 OA +ATOM 697 CB VAL 71 -20.175 26.324 73.791 0.00 0.00 0.009 C +ATOM 698 CG1 VAL 71 -19.304 26.949 72.699 0.00 0.00 0.012 C +ATOM 699 CG2 VAL 71 -20.830 27.404 74.655 0.00 0.00 0.012 C +ATOM 700 N LEU 72 -20.797 24.443 70.988 0.00 0.00 -0.346 N +ATOM 701 HN LEU 72 -21.407 25.189 70.653 1.00 0.00 0.163 HD +ATOM 702 CA LEU 72 -20.219 23.519 70.024 0.00 0.00 0.177 C +ATOM 703 C LEU 72 -19.393 24.288 69.002 0.00 0.00 0.241 C +ATOM 704 O LEU 72 -19.945 24.942 68.097 0.00 0.00 -0.271 OA +ATOM 705 CB LEU 72 -21.305 22.727 69.272 0.00 0.00 0.038 C +ATOM 706 CG LEU 72 -22.192 21.824 70.131 0.00 0.00 -0.020 C +ATOM 707 CD1 LEU 72 -23.054 20.911 69.257 0.00 0.00 0.009 C +ATOM 708 CD2 LEU 72 -21.357 21.032 71.138 0.00 0.00 0.009 C +ATOM 709 N ILE 73 -18.074 24.239 69.191 0.00 0.00 -0.346 N +ATOM 710 HN ILE 73 -17.718 23.724 69.996 1.00 0.00 0.163 HD +ATOM 711 CA ILE 73 -17.115 24.887 68.301 0.00 0.00 0.180 C +ATOM 712 C ILE 73 -16.440 23.758 67.523 0.00 0.00 0.241 C +ATOM 713 O ILE 73 -16.048 22.734 68.085 0.00 0.00 -0.271 OA +ATOM 714 CB ILE 73 -16.117 25.757 69.087 0.00 0.00 0.013 C +ATOM 715 CG1 ILE 73 -16.754 27.084 69.504 0.00 0.00 0.002 C +ATOM 716 CG2 ILE 73 -14.826 25.965 68.292 0.00 0.00 0.012 C +ATOM 717 CD1 ILE 73 -15.766 27.942 70.296 0.00 0.00 0.005 C +ATOM 718 N ASN 74 -16.363 23.924 66.217 0.00 0.00 -0.346 N +ATOM 719 HN ASN 74 -16.710 24.790 65.804 1.00 0.00 0.163 HD +ATOM 720 CA ASN 74 -15.794 22.900 65.351 0.00 0.00 0.185 C +ATOM 721 C ASN 74 -16.402 21.535 65.657 0.00 0.00 0.243 C +ATOM 722 O ASN 74 -15.694 20.622 66.100 0.00 0.00 -0.271 OA +ATOM 723 CB ASN 74 -14.263 22.819 65.494 0.00 0.00 0.137 C +ATOM 724 CG ASN 74 -13.596 24.100 64.988 0.00 0.00 0.217 C +ATOM 725 OD1 ASN 74 -14.182 24.892 64.269 0.00 0.00 -0.274 OA +ATOM 726 ND2 ASN 74 -12.342 24.256 65.402 0.00 0.00 -0.370 N +ATOM 727 1HD2 ASN 74 -11.897 25.110 65.065 1.00 0.00 0.159 HD +ATOM 728 2HD2 ASN 74 -11.852 23.594 66.003 1.00 0.00 0.159 HD +ATOM 729 N PRO 75 -17.743 21.405 65.529 0.00 0.00 -0.337 N +ATOM 730 CA PRO 75 -18.369 20.103 65.801 0.00 0.00 0.179 C +ATOM 731 C PRO 75 -18.171 19.143 64.622 0.00 0.00 0.241 C +ATOM 732 O PRO 75 -18.089 19.548 63.475 0.00 0.00 -0.271 OA +ATOM 733 CB PRO 75 -19.771 20.383 66.160 0.00 0.00 0.037 C +ATOM 734 CG PRO 75 -20.064 21.776 65.626 0.00 0.00 0.022 C +ATOM 735 CD PRO 75 -18.736 22.432 65.283 0.00 0.00 0.127 C +ATOM 736 N GLU 76 -18.149 17.862 64.918 0.00 0.00 -0.346 N +ATOM 737 HN GLU 76 -18.283 17.581 65.889 1.00 0.00 0.163 HD +ATOM 738 CA GLU 76 -17.943 16.839 63.923 0.00 0.00 0.177 C +ATOM 739 C GLU 76 -18.879 15.709 64.287 0.00 0.00 0.241 C +ATOM 740 O GLU 76 -18.950 15.317 65.448 0.00 0.00 -0.271 OA +ATOM 741 CB GLU 76 -16.496 16.323 64.027 0.00 0.00 0.045 C +ATOM 742 CG GLU 76 -16.166 15.376 62.871 0.00 0.00 0.116 C +ATOM 743 CD GLU 76 -14.923 14.541 63.184 0.00 0.00 0.172 C +ATOM 744 OE1 GLU 76 -14.089 14.954 64.004 0.00 0.00 -0.648 OA +ATOM 745 OE2 GLU 76 -14.840 13.426 62.542 0.00 0.00 -0.648 OA +ATOM 746 N LEU 77 -19.622 15.205 63.309 0.00 0.00 -0.346 N +ATOM 747 HN LEU 77 -19.546 15.596 62.370 1.00 0.00 0.163 HD +ATOM 748 CA LEU 77 -20.547 14.099 63.553 0.00 0.00 0.177 C +ATOM 749 C LEU 77 -19.771 12.794 63.491 0.00 0.00 0.241 C +ATOM 750 O LEU 77 -19.162 12.492 62.475 0.00 0.00 -0.271 OA +ATOM 751 CB LEU 77 -21.663 14.076 62.492 0.00 0.00 0.038 C +ATOM 752 CG LEU 77 -22.646 12.907 62.578 0.00 0.00 -0.020 C +ATOM 753 CD1 LEU 77 -23.457 12.966 63.874 0.00 0.00 0.009 C +ATOM 754 CD2 LEU 77 -23.546 12.855 61.342 0.00 0.00 0.009 C +ATOM 755 N LEU 78 -19.771 12.028 64.575 0.00 0.00 -0.346 N +ATOM 756 HN LEU 78 -20.271 12.328 65.412 1.00 0.00 0.163 HD +ATOM 757 CA LEU 78 -19.056 10.759 64.569 0.00 0.00 0.177 C +ATOM 758 C LEU 78 -19.949 9.623 64.071 0.00 0.00 0.241 C +ATOM 759 O LEU 78 -19.504 8.776 63.304 0.00 0.00 -0.271 OA +ATOM 760 CB LEU 78 -18.489 10.434 65.964 0.00 0.00 0.038 C +ATOM 761 CG LEU 78 -17.677 11.545 66.633 0.00 0.00 -0.020 C +ATOM 762 CD1 LEU 78 -17.123 11.082 67.982 0.00 0.00 0.009 C +ATOM 763 CD2 LEU 78 -16.572 12.052 65.703 0.00 0.00 0.009 C +ATOM 764 N GLU 79 -21.207 9.608 64.512 0.00 0.00 -0.346 N +ATOM 765 HN GLU 79 -21.513 10.339 65.154 1.00 0.00 0.163 HD +ATOM 766 CA GLU 79 -22.164 8.579 64.107 0.00 0.00 0.177 C +ATOM 767 C GLU 79 -23.598 9.074 64.262 0.00 0.00 0.241 C +ATOM 768 O GLU 79 -23.833 10.086 64.915 0.00 0.00 -0.271 OA +ATOM 769 CB GLU 79 -21.956 7.293 64.928 0.00 0.00 0.045 C +ATOM 770 CG GLU 79 -21.633 7.620 66.387 0.00 0.00 0.116 C +ATOM 771 CD GLU 79 -21.078 6.393 67.114 0.00 0.00 0.172 C +ATOM 772 OE1 GLU 79 -21.666 5.943 68.108 0.00 0.00 -0.648 OA +ATOM 773 OE2 GLU 79 -19.996 5.904 66.610 0.00 0.00 -0.648 OA +ATOM 774 N LYS 80 -24.536 8.382 63.621 0.00 0.00 -0.346 N +ATOM 775 HN LYS 80 -24.252 7.572 63.070 1.00 0.00 0.163 HD +ATOM 776 CA LYS 80 -25.958 8.729 63.670 0.00 0.00 0.176 C +ATOM 777 C LYS 80 -26.799 7.479 63.437 0.00 0.00 0.241 C +ATOM 778 O LYS 80 -26.318 6.516 62.842 0.00 0.00 -0.271 OA +ATOM 779 CB LYS 80 -26.311 9.791 62.612 0.00 0.00 0.035 C +ATOM 780 CG LYS 80 -26.094 9.249 61.198 0.00 0.00 0.004 C +ATOM 781 CD LYS 80 -26.362 10.331 60.149 0.00 0.00 0.027 C +ATOM 782 CE LYS 80 -26.673 9.708 58.787 0.00 0.00 0.229 C +ATOM 783 NZ LYS 80 -27.052 10.750 57.818 0.00 0.00 -0.079 N +ATOM 784 HZ1 LYS 80 -27.259 10.335 56.910 1.00 0.00 0.274 HD +ATOM 785 HZ2 LYS 80 -26.342 11.479 57.748 1.00 0.00 0.274 HD +ATOM 786 HZ3 LYS 80 -27.825 11.322 58.159 1.00 0.00 0.274 HD +ATOM 787 N SER 81 -28.043 7.484 63.920 0.00 0.00 -0.344 N +ATOM 788 HN SER 81 -28.379 8.302 64.428 1.00 0.00 0.163 HD +ATOM 789 CA SER 81 -28.935 6.336 63.734 0.00 0.00 0.200 C +ATOM 790 C SER 81 -30.416 6.700 63.833 0.00 0.00 0.242 C +ATOM 791 O SER 81 -30.784 7.646 64.537 0.00 0.00 -0.271 OA +ATOM 792 CB SER 81 -28.602 5.209 64.729 0.00 0.00 0.199 C +ATOM 793 OG SER 81 -28.818 5.608 66.080 0.00 0.00 -0.398 OA +ATOM 794 HOG SER 81 -28.601 4.883 66.655 0.00 0.00 0.209 HD +ATOM 795 N GLY 82 -31.244 5.936 63.119 0.00 0.00 -0.350 N +ATOM 796 HN GLY 82 -30.849 5.178 62.562 1.00 0.00 0.163 HD +ATOM 797 CA GLY 82 -32.697 6.136 63.098 0.00 0.00 0.225 C +ATOM 798 C GLY 82 -33.269 7.383 62.423 0.00 0.00 0.236 C +ATOM 799 O GLY 82 -32.528 8.223 61.892 0.00 0.00 -0.272 OA +ATOM 800 N GLU 83 -34.603 7.469 62.365 0.00 0.00 -0.346 N +ATOM 801 HN GLU 83 -35.167 6.699 62.726 1.00 0.00 0.163 HD +ATOM 802 CA GLU 83 -35.280 8.649 61.792 0.00 0.00 0.177 C +ATOM 803 C GLU 83 -36.300 9.160 62.806 0.00 0.00 0.241 C +ATOM 804 O GLU 83 -36.808 8.397 63.635 0.00 0.00 -0.271 OA +ATOM 805 CB GLU 83 -36.014 8.376 60.466 0.00 0.00 0.045 C +ATOM 806 CG GLU 83 -35.522 7.077 59.824 0.00 0.00 0.116 C +ATOM 807 CD GLU 83 -35.955 5.862 60.646 0.00 0.00 0.172 C +ATOM 808 OE1 GLU 83 -37.142 5.731 60.982 0.00 0.00 -0.648 OA +ATOM 809 OE2 GLU 83 -35.010 5.033 60.935 0.00 0.00 -0.648 OA +ATOM 810 N THR 84 -36.634 10.436 62.699 0.00 0.00 -0.344 N +ATOM 811 HN THR 84 -36.229 10.993 61.947 1.00 0.00 0.163 HD +ATOM 812 CA THR 84 -37.554 11.061 63.616 0.00 0.00 0.205 C +ATOM 813 C THR 84 -37.892 12.387 62.992 0.00 0.00 0.243 C +ATOM 814 O THR 84 -37.460 12.660 61.871 0.00 0.00 -0.271 OA +ATOM 815 CB THR 84 -36.910 11.254 65.001 0.00 0.00 0.146 C +ATOM 816 OG1 THR 84 -37.998 11.631 65.841 0.00 0.00 -0.393 OA +ATOM 817 CG2 THR 84 -35.970 12.461 65.047 0.00 0.00 0.042 C +ATOM 818 HOG THR 84 -37.674 11.769 66.723 0.00 0.00 0.210 HD +ATOM 819 N GLY 85 -38.661 13.203 63.704 0.00 0.00 -0.350 N +ATOM 820 HN GLY 85 -38.975 12.922 64.633 1.00 0.00 0.163 HD +ATOM 821 CA GLY 85 -39.055 14.486 63.171 0.00 0.00 0.225 C +ATOM 822 C GLY 85 -40.122 15.183 63.989 0.00 0.00 0.236 C +ATOM 823 O GLY 85 -41.127 14.572 64.410 0.00 0.00 -0.272 OA +ATOM 824 N ILE 86 -39.883 16.462 64.250 0.00 0.00 -0.346 N +ATOM 825 HN ILE 86 -39.008 16.877 63.929 1.00 0.00 0.163 HD +ATOM 826 CA ILE 86 -40.832 17.292 64.982 0.00 0.00 0.180 C +ATOM 827 C ILE 86 -41.052 18.502 64.094 0.00 0.00 0.241 C +ATOM 828 O ILE 86 -40.422 18.608 63.024 0.00 0.00 -0.271 OA +ATOM 829 CB ILE 86 -40.311 17.728 66.364 0.00 0.00 0.013 C +ATOM 830 CG1 ILE 86 -39.010 18.523 66.234 0.00 0.00 0.002 C +ATOM 831 CG2 ILE 86 -40.158 16.525 67.297 0.00 0.00 0.012 C +ATOM 832 CD1 ILE 86 -38.500 18.967 67.607 0.00 0.00 0.005 C +ATOM 833 N GLU 87 -41.997 19.362 64.463 0.00 0.00 -0.346 N +ATOM 834 HN GLU 87 -42.543 19.183 65.306 1.00 0.00 0.163 HD +ATOM 835 CA GLU 87 -42.259 20.563 63.669 0.00 0.00 0.177 C +ATOM 836 C GLU 87 -41.224 21.557 64.144 0.00 0.00 0.241 C +ATOM 837 O GLU 87 -41.158 21.846 65.332 0.00 0.00 -0.271 OA +ATOM 838 CB GLU 87 -43.685 21.105 63.880 0.00 0.00 0.045 C +ATOM 839 CG GLU 87 -44.725 20.168 63.260 0.00 0.00 0.116 C +ATOM 840 CD GLU 87 -46.103 20.831 63.217 0.00 0.00 0.172 C +ATOM 841 OE1 GLU 87 -46.206 22.058 63.365 0.00 0.00 -0.648 OA +ATOM 842 OE2 GLU 87 -47.090 20.024 63.021 0.00 0.00 -0.648 OA +ATOM 843 N GLU 88 -40.358 21.990 63.232 0.00 0.00 -0.346 N +ATOM 844 HN GLU 88 -40.457 21.668 62.269 1.00 0.00 0.163 HD +ATOM 845 CA GLU 88 -39.270 22.909 63.557 0.00 0.00 0.177 C +ATOM 846 C GLU 88 -39.521 24.262 62.975 0.00 0.00 0.240 C +ATOM 847 O GLU 88 -40.094 24.395 61.898 0.00 0.00 -0.271 OA +ATOM 848 CB GLU 88 -37.934 22.424 62.964 0.00 0.00 0.045 C +ATOM 849 CG GLU 88 -37.593 21.017 63.458 0.00 0.00 0.116 C +ATOM 850 CD GLU 88 -36.268 20.534 62.865 0.00 0.00 0.172 C +ATOM 851 OE1 GLU 88 -35.450 21.354 62.424 0.00 0.00 -0.648 OA +ATOM 852 OE2 GLU 88 -36.102 19.254 62.873 0.00 0.00 -0.648 OA +ATOM 853 N GLY 89 -39.110 25.271 63.713 0.00 0.00 -0.351 N +ATOM 854 HN GLY 89 -38.707 25.098 64.634 1.00 0.00 0.163 HD +ATOM 855 CA GLY 89 -39.229 26.621 63.222 0.00 0.00 0.225 C +ATOM 856 C GLY 89 -37.794 27.111 63.214 0.00 0.00 0.236 C +ATOM 857 O GLY 89 -36.928 26.541 63.898 0.00 0.00 -0.272 OA +ATOM 858 N CYM 90 -37.526 28.158 62.455 0.00 0.00 -0.346 N +ATOM 859 HN CYM 90 -38.273 28.590 61.910 1.00 0.00 0.163 HD +ATOM 860 CA CYM 90 -36.179 28.703 62.386 0.00 0.00 0.186 C +ATOM 861 C CYM 90 -36.254 30.222 62.482 0.00 0.00 0.241 C +ATOM 862 O CYM 90 -37.153 30.835 61.900 0.00 0.00 -0.271 OA +ATOM 863 CB CYM 90 -35.505 28.265 61.073 0.00 0.00 0.120 C +ATOM 864 SG CYM 90 -33.933 29.100 60.707 0.00 0.00 -0.095 SA +ATOM 865 N LEU 91 -35.341 30.826 63.242 0.00 0.00 -0.346 N +ATOM 866 HN LEU 91 -34.648 30.264 63.736 1.00 0.00 0.163 HD +ATOM 867 CA LEU 91 -35.317 32.287 63.380 0.00 0.00 0.177 C +ATOM 868 C LEU 91 -35.084 32.953 62.006 0.00 0.00 0.241 C +ATOM 869 O LEU 91 -35.606 34.032 61.728 0.00 0.00 -0.271 OA +ATOM 870 CB LEU 91 -34.261 32.719 64.414 0.00 0.00 0.038 C +ATOM 871 CG LEU 91 -34.478 32.220 65.844 0.00 0.00 -0.020 C +ATOM 872 CD1 LEU 91 -33.250 32.495 66.713 0.00 0.00 0.009 C +ATOM 873 CD2 LEU 91 -35.752 32.816 66.446 0.00 0.00 0.009 C +ATOM 874 N SER 92 -34.364 32.270 61.119 0.00 0.00 -0.344 N +ATOM 875 HN SER 92 -33.995 31.355 61.377 1.00 0.00 0.163 HD +ATOM 876 CA SER 92 -34.087 32.801 59.779 0.00 0.00 0.200 C +ATOM 877 C SER 92 -35.284 32.674 58.816 0.00 0.00 0.243 C +ATOM 878 O SER 92 -35.308 33.292 57.746 0.00 0.00 -0.271 OA +ATOM 879 CB SER 92 -32.826 32.130 59.205 0.00 0.00 0.199 C +ATOM 880 OG SER 92 -31.686 32.336 60.035 0.00 0.00 -0.398 OA +ATOM 881 HOG SER 92 -30.935 31.906 59.643 0.00 0.00 0.209 HD +ATOM 882 N ILE 93 -36.274 31.867 59.195 0.00 0.00 -0.346 N +ATOM 883 HN ILE 93 -36.181 31.355 60.072 1.00 0.00 0.163 HD +ATOM 884 CA ILE 93 -37.492 31.686 58.400 0.00 0.00 0.181 C +ATOM 885 C ILE 93 -38.566 32.129 59.418 0.00 0.00 0.247 C +ATOM 886 O ILE 93 -39.492 31.370 59.746 0.00 0.00 -0.271 OA +ATOM 887 CB ILE 93 -37.635 30.217 57.960 0.00 0.00 0.013 C +ATOM 888 CG1 ILE 93 -36.395 29.752 57.193 0.00 0.00 0.002 C +ATOM 889 CG2 ILE 93 -38.919 30.008 57.155 0.00 0.00 0.012 C +ATOM 890 CD1 ILE 93 -36.475 28.256 56.878 0.00 0.00 0.005 C +ATOM 891 N PRO 94 -38.499 33.422 59.821 0.00 0.00 -0.311 N +ATOM 892 CA PRO 94 -39.276 34.225 60.766 0.00 0.00 0.101 C +ATOM 893 C PRO 94 -40.304 33.549 61.670 0.00 0.00 0.268 C +ATOM 894 O PRO 94 -40.077 33.409 62.875 0.00 0.00 -0.266 OA +ATOM 895 CB PRO 94 -39.058 35.585 60.572 0.00 0.00 0.010 C +ATOM 896 CG PRO 94 -38.540 35.674 59.145 0.00 0.00 0.050 C +ATOM 897 CD PRO 94 -38.132 34.277 58.709 0.00 0.00 0.136 C +ATOM 898 N GLU 95 -41.425 33.126 61.092 0.00 0.00 -0.342 N +ATOM 899 HN GLU 95 -41.526 33.233 60.083 1.00 0.00 0.163 HD +ATOM 900 CA GLU 95 -42.517 32.515 61.844 0.00 0.00 0.177 C +ATOM 901 C GLU 95 -43.183 31.362 61.091 0.00 0.00 0.241 C +ATOM 902 O GLU 95 -44.405 31.346 60.909 0.00 0.00 -0.271 OA +ATOM 903 CB GLU 95 -43.570 33.595 62.152 0.00 0.00 0.045 C +ATOM 904 CG GLU 95 -42.946 34.770 62.908 0.00 0.00 0.116 C +ATOM 905 CD GLU 95 -43.884 35.979 62.914 0.00 0.00 0.172 C +ATOM 906 OE1 GLU 95 -44.156 36.558 61.852 0.00 0.00 -0.648 OA +ATOM 907 OE2 GLU 95 -44.338 36.311 64.074 0.00 0.00 -0.648 OA +ATOM 908 N GLN 96 -42.396 30.375 60.691 0.00 0.00 -0.346 N +ATOM 909 HN GLN 96 -41.398 30.410 60.901 1.00 0.00 0.163 HD +ATOM 910 CA GLN 96 -42.934 29.244 59.958 0.00 0.00 0.177 C +ATOM 911 C GLN 96 -42.446 27.975 60.640 0.00 0.00 0.241 C +ATOM 912 O GLN 96 -41.394 27.982 61.280 0.00 0.00 -0.271 OA +ATOM 913 CB GLN 96 -42.470 29.306 58.491 0.00 0.00 0.044 C +ATOM 914 CG GLN 96 -43.659 29.500 57.548 0.00 0.00 0.105 C +ATOM 915 CD GLN 96 -44.346 30.844 57.801 0.00 0.00 0.215 C +ATOM 916 OE1 GLN 96 -43.720 31.889 57.864 0.00 0.00 -0.274 OA +ATOM 917 NE2 GLN 96 -45.666 30.758 57.943 0.00 0.00 -0.370 N +ATOM 918 1HE2 GLN 96 -46.189 29.884 57.890 1.00 0.00 0.159 HD +ATOM 919 2HE2 GLN 96 -46.124 31.654 58.112 1.00 0.00 0.159 HD +ATOM 920 N ARG 97 -43.231 26.906 60.542 0.00 0.00 -0.346 N +ATOM 921 HN ARG 97 -44.107 26.984 60.026 1.00 0.00 0.163 HD +ATOM 922 CA ARG 97 -42.881 25.625 61.148 0.00 0.00 0.176 C +ATOM 923 C ARG 97 -43.214 24.483 60.227 0.00 0.00 0.241 C +ATOM 924 O ARG 97 -44.212 24.536 59.497 0.00 0.00 -0.271 OA +ATOM 925 CB ARG 97 -43.607 25.410 62.489 0.00 0.00 0.036 C +ATOM 926 CG ARG 97 -43.169 26.450 63.522 0.00 0.00 0.023 C +ATOM 927 CD ARG 97 -43.399 25.939 64.946 0.00 0.00 0.138 C +ATOM 928 NE ARG 97 -43.079 27.003 65.924 0.00 0.00 -0.227 N +ATOM 929 HE ARG 97 -42.498 27.781 65.611 1.00 0.00 0.177 HD +ATOM 930 CZ ARG 97 -43.508 27.009 67.204 0.00 0.00 0.665 C +ATOM 931 NH1 ARG 97 -44.273 25.998 67.637 0.00 0.00 -0.235 N +ATOM 932 1HH1 ARG 97 -44.527 25.235 67.010 1.00 0.00 0.174 HD +ATOM 933 2HH1 ARG 97 -44.597 26.003 68.604 1.00 0.00 0.174 HD +ATOM 934 NH2 ARG 97 -43.174 28.011 68.028 0.00 0.00 -0.235 N +ATOM 935 1HH2 ARG 97 -42.592 28.781 67.698 1.00 0.00 0.174 HD +ATOM 936 2HH2 ARG 97 -43.498 28.016 68.995 1.00 0.00 0.174 HD +ATOM 937 N ALA 98 -42.402 23.435 60.272 0.00 0.00 -0.346 N +ATOM 938 HN ALA 98 -41.603 23.446 60.907 1.00 0.00 0.163 HD +ATOM 939 CA ALA 98 -42.630 22.278 59.437 0.00 0.00 0.172 C +ATOM 940 C ALA 98 -41.893 21.067 59.982 0.00 0.00 0.240 C +ATOM 941 O ALA 98 -40.886 21.207 60.689 0.00 0.00 -0.271 OA +ATOM 942 CB ALA 98 -42.188 22.575 57.992 0.00 0.00 0.042 C +ATOM 943 N LEU 99 -42.435 19.885 59.697 0.00 0.00 -0.346 N +ATOM 944 HN LEU 99 -43.294 19.873 59.147 1.00 0.00 0.163 HD +ATOM 945 CA LEU 99 -41.878 18.610 60.121 0.00 0.00 0.177 C +ATOM 946 C LEU 99 -40.717 18.344 59.175 0.00 0.00 0.241 C +ATOM 947 O LEU 99 -40.891 18.395 57.963 0.00 0.00 -0.271 OA +ATOM 948 CB LEU 99 -42.926 17.497 59.931 0.00 0.00 0.038 C +ATOM 949 CG LEU 99 -42.862 16.339 60.928 0.00 0.00 -0.020 C +ATOM 950 CD1 LEU 99 -43.147 15.004 60.236 0.00 0.00 0.009 C +ATOM 951 CD2 LEU 99 -41.525 16.326 61.670 0.00 0.00 0.009 C +ATOM 952 N VAL 100 -39.549 18.026 59.736 0.00 0.00 -0.346 N +ATOM 953 HN VAL 100 -39.490 17.970 60.753 1.00 0.00 0.163 HD +ATOM 954 CA VAL 100 -38.353 17.755 58.944 0.00 0.00 0.180 C +ATOM 955 C VAL 100 -37.760 16.428 59.371 0.00 0.00 0.243 C +ATOM 956 O VAL 100 -37.695 16.142 60.560 0.00 0.00 -0.271 OA +ATOM 957 CB VAL 100 -37.312 18.872 59.145 0.00 0.00 0.009 C +ATOM 958 CG1 VAL 100 -36.043 18.590 58.338 0.00 0.00 0.012 C +ATOM 959 CG2 VAL 100 -37.898 20.239 58.785 0.00 0.00 0.012 C +ATOM 960 N PRO 101 -37.434 15.547 58.409 0.00 0.00 -0.337 N +ATOM 961 CA PRO 101 -36.844 14.260 58.780 0.00 0.00 0.179 C +ATOM 962 C PRO 101 -35.403 14.461 59.303 0.00 0.00 0.241 C +ATOM 963 O PRO 101 -34.619 15.237 58.723 0.00 0.00 -0.271 OA +ATOM 964 CB PRO 101 -37.083 13.338 57.667 0.00 0.00 0.037 C +ATOM 965 CG PRO 101 -37.374 14.223 56.466 0.00 0.00 0.022 C +ATOM 966 CD PRO 101 -37.655 15.626 56.978 0.00 0.00 0.127 C +ATOM 967 N ARG 102 -35.100 13.823 60.435 0.00 0.00 -0.346 N +ATOM 968 HN ARG 102 -35.807 13.229 60.867 1.00 0.00 0.163 HD +ATOM 969 CA ARG 102 -33.802 13.942 61.076 0.00 0.00 0.176 C +ATOM 970 C ARG 102 -33.393 12.604 61.629 0.00 0.00 0.241 C +ATOM 971 O ARG 102 -34.229 11.717 61.796 0.00 0.00 -0.271 OA +ATOM 972 CB ARG 102 -33.856 14.962 62.228 0.00 0.00 0.036 C +ATOM 973 CG ARG 102 -34.668 16.196 61.830 0.00 0.00 0.023 C +ATOM 974 CD ARG 102 -33.841 17.473 61.992 0.00 0.00 0.138 C +ATOM 975 NE ARG 102 -32.844 17.572 60.902 0.00 0.00 -0.227 N +ATOM 976 HE ARG 102 -32.429 16.708 60.554 1.00 0.00 0.177 HD +ATOM 977 CZ ARG 102 -32.450 18.735 60.340 0.00 0.00 0.665 C +ATOM 978 NH1 ARG 102 -32.981 19.883 60.782 0.00 0.00 -0.235 N +ATOM 979 1HH1 ARG 102 -33.673 19.879 61.531 1.00 0.00 0.174 HD +ATOM 980 2HH1 ARG 102 -32.683 20.761 60.358 1.00 0.00 0.174 HD +ATOM 981 NH2 ARG 102 -31.541 18.740 59.356 0.00 0.00 -0.235 N +ATOM 982 1HH2 ARG 102 -31.137 17.866 59.020 1.00 0.00 0.174 HD +ATOM 983 2HH2 ARG 102 -31.243 19.618 58.932 1.00 0.00 0.174 HD +ATOM 984 N ALA 103 -32.092 12.426 61.855 0.00 0.00 -0.346 N +ATOM 985 HN ALA 103 -31.434 13.168 61.616 1.00 0.00 0.163 HD +ATOM 986 CA ALA 103 -31.597 11.185 62.439 0.00 0.00 0.172 C +ATOM 987 C ALA 103 -32.077 11.258 63.881 0.00 0.00 0.240 C +ATOM 988 O ALA 103 -32.113 12.352 64.478 0.00 0.00 -0.271 OA +ATOM 989 CB ALA 103 -30.060 11.121 62.377 0.00 0.00 0.042 C +ATOM 990 N GLU 104 -32.451 10.110 64.437 0.00 0.00 -0.346 N +ATOM 991 HN GLU 104 -32.391 9.251 63.891 1.00 0.00 0.163 HD +ATOM 992 CA GLU 104 -32.948 10.046 65.816 0.00 0.00 0.177 C +ATOM 993 C GLU 104 -31.855 10.229 66.870 0.00 0.00 0.241 C +ATOM 994 O GLU 104 -32.040 10.956 67.856 0.00 0.00 -0.271 OA +ATOM 995 CB GLU 104 -33.707 8.730 66.069 0.00 0.00 0.045 C +ATOM 996 CG GLU 104 -34.356 8.729 67.455 0.00 0.00 0.116 C +ATOM 997 CD GLU 104 -34.766 7.314 67.867 0.00 0.00 0.172 C +ATOM 998 OE1 GLU 104 -34.536 6.357 67.113 0.00 0.00 -0.648 OA +ATOM 999 OE2 GLU 104 -35.342 7.227 69.018 0.00 0.00 -0.648 OA +ATOM 1000 N LYS 105 -30.720 9.569 66.656 0.00 0.00 -0.346 N +ATOM 1001 HN LYS 105 -30.642 8.984 65.824 1.00 0.00 0.163 HD +ATOM 1002 CA LYS 105 -29.574 9.651 67.573 0.00 0.00 0.176 C +ATOM 1003 C LYS 105 -28.291 10.106 66.872 0.00 0.00 0.241 C +ATOM 1004 O LYS 105 -28.041 9.719 65.735 0.00 0.00 -0.271 OA +ATOM 1005 CB LYS 105 -29.302 8.278 68.214 0.00 0.00 0.035 C +ATOM 1006 CG LYS 105 -30.468 7.848 69.107 0.00 0.00 0.004 C +ATOM 1007 CD LYS 105 -30.161 6.525 69.810 0.00 0.00 0.027 C +ATOM 1008 CE LYS 105 -31.329 6.094 70.700 0.00 0.00 0.229 C +ATOM 1009 NZ LYS 105 -31.152 4.702 71.145 0.00 0.00 -0.079 N +ATOM 1010 HZ1 LYS 105 -31.930 4.415 71.738 1.00 0.00 0.274 HD +ATOM 1011 HZ2 LYS 105 -30.253 4.563 71.606 1.00 0.00 0.274 HD +ATOM 1012 HZ3 LYS 105 -31.020 4.066 70.358 1.00 0.00 0.274 HD +ATOM 1013 N VAL 106 -27.497 10.930 67.555 0.00 0.00 -0.346 N +ATOM 1014 HN VAL 106 -27.793 11.249 68.477 1.00 0.00 0.163 HD +ATOM 1015 CA VAL 106 -26.203 11.395 67.019 0.00 0.00 0.180 C +ATOM 1016 C VAL 106 -25.087 11.444 68.068 0.00 0.00 0.241 C +ATOM 1017 O VAL 106 -25.337 11.718 69.246 0.00 0.00 -0.271 OA +ATOM 1018 CB VAL 106 -26.268 12.789 66.368 0.00 0.00 0.009 C +ATOM 1019 CG1 VAL 106 -27.124 12.763 65.100 0.00 0.00 0.012 C +ATOM 1020 CG2 VAL 106 -26.787 13.833 67.359 0.00 0.00 0.012 C +ATOM 1021 N LYS 107 -23.867 11.126 67.631 0.00 0.00 -0.346 N +ATOM 1022 HN LYS 107 -23.753 10.818 66.665 1.00 0.00 0.163 HD +ATOM 1023 CA LYS 107 -22.682 11.206 68.498 0.00 0.00 0.176 C +ATOM 1024 C LYS 107 -21.741 12.213 67.856 0.00 0.00 0.241 C +ATOM 1025 O LYS 107 -21.385 12.064 66.694 0.00 0.00 -0.271 OA +ATOM 1026 CB LYS 107 -21.941 9.862 68.629 0.00 0.00 0.035 C +ATOM 1027 CG LYS 107 -20.771 9.974 69.607 0.00 0.00 0.004 C +ATOM 1028 CD LYS 107 -19.937 8.691 69.615 0.00 0.00 0.027 C +ATOM 1029 CE LYS 107 -18.729 8.828 70.543 0.00 0.00 0.229 C +ATOM 1030 NZ LYS 107 -17.878 7.629 70.462 0.00 0.00 -0.079 N +ATOM 1031 HZ1 LYS 107 -17.072 7.720 71.081 1.00 0.00 0.274 HD +ATOM 1032 HZ2 LYS 107 -17.598 7.427 69.502 1.00 0.00 0.274 HD +ATOM 1033 HZ3 LYS 107 -18.405 6.776 70.649 1.00 0.00 0.274 HD +ATOM 1034 N ILE 108 -21.415 13.283 68.564 0.00 0.00 -0.346 N +ATOM 1035 HN ILE 108 -21.803 13.415 69.498 1.00 0.00 0.163 HD +ATOM 1036 CA ILE 108 -20.503 14.269 68.007 0.00 0.00 0.180 C +ATOM 1037 C ILE 108 -19.263 14.490 68.892 0.00 0.00 0.241 C +ATOM 1038 O ILE 108 -19.168 14.014 70.020 0.00 0.00 -0.271 OA +ATOM 1039 CB ILE 108 -21.170 15.632 67.747 0.00 0.00 0.013 C +ATOM 1040 CG1 ILE 108 -21.575 16.304 69.061 0.00 0.00 0.002 C +ATOM 1041 CG2 ILE 108 -22.354 15.490 66.788 0.00 0.00 0.012 C +ATOM 1042 CD1 ILE 108 -21.693 17.820 68.889 0.00 0.00 0.005 C +ATOM 1043 N ARG 109 -18.328 15.242 68.350 0.00 0.00 -0.346 N +ATOM 1044 HN ARG 109 -18.472 15.591 67.402 1.00 0.00 0.163 HD +ATOM 1045 CA ARG 109 -17.108 15.595 69.036 0.00 0.00 0.176 C +ATOM 1046 C ARG 109 -17.050 17.092 68.786 0.00 0.00 0.241 C +ATOM 1047 O ARG 109 -17.470 17.544 67.718 0.00 0.00 -0.271 OA +ATOM 1048 CB ARG 109 -15.928 14.894 68.337 0.00 0.00 0.036 C +ATOM 1049 CG ARG 109 -14.590 15.428 68.852 0.00 0.00 0.023 C +ATOM 1050 CD ARG 109 -13.449 15.058 67.902 0.00 0.00 0.138 C +ATOM 1051 NE ARG 109 -13.306 13.587 67.833 0.00 0.00 -0.227 N +ATOM 1052 HE ARG 109 -13.808 13.025 68.521 1.00 0.00 0.177 HD +ATOM 1053 CZ ARG 109 -12.553 12.942 66.917 0.00 0.00 0.665 C +ATOM 1054 NH1 ARG 109 -11.884 13.660 66.004 0.00 0.00 -0.235 N +ATOM 1055 1HH1 ARG 109 -11.943 14.678 66.002 1.00 0.00 0.174 HD +ATOM 1056 2HH1 ARG 109 -11.315 13.173 65.312 1.00 0.00 0.174 HD +ATOM 1057 NH2 ARG 109 -12.475 11.604 66.920 0.00 0.00 -0.235 N +ATOM 1058 1HH2 ARG 109 -12.984 11.058 67.615 1.00 0.00 0.174 HD +ATOM 1059 2HH2 ARG 109 -11.906 11.117 66.228 1.00 0.00 0.174 HD +ATOM 1060 N ALA 110 -16.618 17.866 69.779 0.00 0.00 -0.346 N +ATOM 1061 HN ALA 110 -16.366 17.443 70.672 1.00 0.00 0.163 HD +ATOM 1062 CA ALA 110 -16.499 19.312 69.609 0.00 0.00 0.172 C +ATOM 1063 C ALA 110 -15.543 19.946 70.631 0.00 0.00 0.240 C +ATOM 1064 O ALA 110 -14.977 19.257 71.477 0.00 0.00 -0.271 OA +ATOM 1065 CB ALA 110 -17.887 19.973 69.697 0.00 0.00 0.042 C +ATOM 1066 N LEU 111 -15.323 21.249 70.509 0.00 0.00 -0.346 N +ATOM 1067 HN LEU 111 -15.753 21.753 69.734 1.00 0.00 0.163 HD +ATOM 1068 CA LEU 111 -14.483 21.983 71.452 0.00 0.00 0.177 C +ATOM 1069 C LEU 111 -15.455 22.842 72.253 0.00 0.00 0.241 C +ATOM 1070 O LEU 111 -16.381 23.408 71.673 0.00 0.00 -0.271 OA +ATOM 1071 CB LEU 111 -13.497 22.905 70.710 0.00 0.00 0.038 C +ATOM 1072 CG LEU 111 -12.668 22.249 69.604 0.00 0.00 -0.020 C +ATOM 1073 CD1 LEU 111 -11.675 23.244 69.001 0.00 0.00 0.009 C +ATOM 1074 CD2 LEU 111 -11.975 20.985 70.115 0.00 0.00 0.009 C +ATOM 1075 N ASP 112 -15.276 22.933 73.570 0.00 0.00 -0.346 N +ATOM 1076 HN ASP 112 -14.507 22.434 74.017 1.00 0.00 0.163 HD +ATOM 1077 CA ASP 112 -16.183 23.748 74.372 0.00 0.00 0.186 C +ATOM 1078 C ASP 112 -15.778 25.219 74.360 0.00 0.00 0.241 C +ATOM 1079 O ASP 112 -14.918 25.625 73.580 0.00 0.00 -0.271 OA +ATOM 1080 CB ASP 112 -16.357 23.195 75.799 0.00 0.00 0.147 C +ATOM 1081 CG ASP 112 -15.073 23.124 76.626 0.00 0.00 0.175 C +ATOM 1082 OD1 ASP 112 -14.187 23.984 76.506 0.00 0.00 -0.648 OA +ATOM 1083 OD2 ASP 112 -14.998 22.120 77.432 0.00 0.00 -0.648 OA +ATOM 1084 N ARG 113 -16.382 26.011 75.235 0.00 0.00 -0.346 N +ATOM 1085 HN ARG 113 -17.061 25.612 75.883 1.00 0.00 0.163 HD +ATOM 1086 CA ARG 113 -16.098 27.439 75.292 0.00 0.00 0.176 C +ATOM 1087 C ARG 113 -14.640 27.746 75.608 0.00 0.00 0.241 C +ATOM 1088 O ARG 113 -14.133 28.800 75.231 0.00 0.00 -0.271 OA +ATOM 1089 CB ARG 113 -17.015 28.132 76.317 0.00 0.00 0.036 C +ATOM 1090 CG ARG 113 -16.929 29.654 76.187 0.00 0.00 0.023 C +ATOM 1091 CD ARG 113 -17.954 30.340 77.094 0.00 0.00 0.138 C +ATOM 1092 NE ARG 113 -18.026 31.783 76.775 0.00 0.00 -0.227 N +ATOM 1093 HE ARG 113 -18.763 32.097 76.143 1.00 0.00 0.177 HD +ATOM 1094 CZ ARG 113 -17.178 32.711 77.268 0.00 0.00 0.665 C +ATOM 1095 NH1 ARG 113 -16.202 32.323 78.100 0.00 0.00 -0.235 N +ATOM 1096 1HH1 ARG 113 -15.561 33.024 78.472 1.00 0.00 0.174 HD +ATOM 1097 2HH1 ARG 113 -16.102 31.341 78.357 1.00 0.00 0.174 HD +ATOM 1098 NH2 ARG 113 -17.310 34.001 76.930 0.00 0.00 -0.235 N +ATOM 1099 1HH2 ARG 113 -16.669 34.702 77.302 1.00 0.00 0.174 HD +ATOM 1100 2HH2 ARG 113 -18.053 34.296 76.297 1.00 0.00 0.174 HD +ATOM 1101 N ASP 114 -13.979 26.831 76.308 0.00 0.00 -0.346 N +ATOM 1102 HN ASP 114 -14.465 25.981 76.594 1.00 0.00 0.163 HD +ATOM 1103 CA ASP 114 -12.579 27.004 76.680 0.00 0.00 0.186 C +ATOM 1104 C ASP 114 -11.655 26.310 75.684 0.00 0.00 0.241 C +ATOM 1105 O ASP 114 -10.478 26.109 75.968 0.00 0.00 -0.271 OA +ATOM 1106 CB ASP 114 -12.320 26.408 78.076 0.00 0.00 0.147 C +ATOM 1107 CG ASP 114 -13.236 26.933 79.183 0.00 0.00 0.175 C +ATOM 1108 OD1 ASP 114 -13.608 28.116 79.197 0.00 0.00 -0.648 OA +ATOM 1109 OD2 ASP 114 -13.575 26.061 80.071 0.00 0.00 -0.648 OA +ATOM 1110 N GLY 115 -12.197 25.906 74.539 0.00 0.00 -0.351 N +ATOM 1111 HN GLY 115 -13.185 26.081 74.357 1.00 0.00 0.163 HD +ATOM 1112 CA GLY 115 -11.394 25.219 73.548 0.00 0.00 0.225 C +ATOM 1113 C GLY 115 -11.142 23.756 73.863 0.00 0.00 0.236 C +ATOM 1114 O GLY 115 -10.520 23.055 73.069 0.00 0.00 -0.272 OA +ATOM 1115 N LYS 116 -11.625 23.278 75.003 0.00 0.00 -0.346 N +ATOM 1116 HN LYS 116 -12.141 23.895 75.631 1.00 0.00 0.163 HD +ATOM 1117 CA LYS 116 -11.425 21.878 75.368 0.00 0.00 0.177 C +ATOM 1118 C LYS 116 -12.361 20.929 74.606 0.00 0.00 0.247 C +ATOM 1119 O LYS 116 -13.577 21.125 74.577 0.00 0.00 -0.271 OA +ATOM 1120 CB LYS 116 -11.632 21.661 76.879 0.00 0.00 0.035 C +ATOM 1121 CG LYS 116 -10.883 22.718 77.692 0.00 0.00 0.004 C +ATOM 1122 CD LYS 116 -10.789 22.313 79.164 0.00 0.00 0.027 C +ATOM 1123 CE LYS 116 -10.089 23.396 79.988 0.00 0.00 0.229 C +ATOM 1124 NZ LYS 116 -10.963 24.570 80.145 0.00 0.00 -0.079 N +ATOM 1125 HZ1 LYS 116 -10.496 25.292 80.694 1.00 0.00 0.274 HD +ATOM 1126 HZ2 LYS 116 -11.869 24.318 80.541 1.00 0.00 0.274 HD +ATOM 1127 HZ3 LYS 116 -11.284 24.927 79.245 1.00 0.00 0.274 HD +ATOM 1128 N PRO 117 -11.795 19.918 73.938 0.00 0.00 -0.315 N +ATOM 1129 CA PRO 117 -12.572 18.934 73.179 0.00 0.00 0.082 C +ATOM 1130 C PRO 117 -13.430 18.055 74.091 0.00 0.00 0.265 C +ATOM 1131 O PRO 117 -13.031 17.735 75.214 0.00 0.00 -0.266 OA +ATOM 1132 CB PRO 117 -11.761 18.504 72.053 0.00 0.00 0.065 C +ATOM 1133 CG PRO 117 -10.332 18.861 72.430 0.00 0.00 0.026 C +ATOM 1134 CD PRO 117 -10.386 19.820 73.608 0.00 0.00 0.132 C +ATOM 1135 N PHE 118 -14.595 17.652 73.591 0.00 0.00 -0.342 N +ATOM 1136 HN PHE 118 -14.858 17.964 72.656 1.00 0.00 0.163 HD +ATOM 1137 CA PHE 118 -15.512 16.785 74.320 0.00 0.00 0.181 C +ATOM 1138 C PHE 118 -16.402 16.051 73.323 0.00 0.00 0.241 C +ATOM 1139 O PHE 118 -16.611 16.525 72.207 0.00 0.00 -0.271 OA +ATOM 1140 CB PHE 118 -16.368 17.583 75.321 0.00 0.00 0.073 C +ATOM 1141 CG PHE 118 -17.419 18.482 74.682 0.00 0.00 -0.056 A +ATOM 1142 CD1 PHE 118 -18.758 18.043 74.564 0.00 0.00 0.007 A +ATOM 1143 CD2 PHE 118 -17.057 19.760 74.197 0.00 0.00 0.007 A +ATOM 1144 CE1 PHE 118 -19.728 18.877 73.968 0.00 0.00 0.001 A +ATOM 1145 CE2 PHE 118 -18.028 20.593 73.601 0.00 0.00 0.001 A +ATOM 1146 CZ PHE 118 -19.363 20.152 73.487 0.00 0.00 0.000 A +ATOM 1147 N GLU 119 -16.842 14.858 73.705 0.00 0.00 -0.346 N +ATOM 1148 HN GLU 119 -16.542 14.495 74.610 1.00 0.00 0.163 HD +ATOM 1149 CA GLU 119 -17.732 14.045 72.892 0.00 0.00 0.177 C +ATOM 1150 C GLU 119 -19.113 14.048 73.556 0.00 0.00 0.241 C +ATOM 1151 O GLU 119 -19.223 14.057 74.791 0.00 0.00 -0.271 OA +ATOM 1152 CB GLU 119 -17.215 12.601 72.755 0.00 0.00 0.045 C +ATOM 1153 CG GLU 119 -16.004 12.538 71.822 0.00 0.00 0.116 C +ATOM 1154 CD GLU 119 -15.640 11.089 71.492 0.00 0.00 0.172 C +ATOM 1155 OE1 GLU 119 -16.039 10.169 72.220 0.00 0.00 -0.648 OA +ATOM 1156 OE2 GLU 119 -14.917 10.936 70.434 0.00 0.00 -0.648 OA +ATOM 1157 N LEU 120 -20.154 13.974 72.732 0.00 0.00 -0.346 N +ATOM 1158 HN LEU 120 -19.979 13.891 71.731 1.00 0.00 0.163 HD +ATOM 1159 CA LEU 120 -21.543 14.006 73.201 0.00 0.00 0.177 C +ATOM 1160 C LEU 120 -22.477 13.071 72.423 0.00 0.00 0.241 C +ATOM 1161 O LEU 120 -22.394 12.990 71.199 0.00 0.00 -0.271 OA +ATOM 1162 CB LEU 120 -22.068 15.449 73.081 0.00 0.00 0.038 C +ATOM 1163 CG LEU 120 -23.515 15.675 73.523 0.00 0.00 -0.020 C +ATOM 1164 CD1 LEU 120 -23.730 15.200 74.961 0.00 0.00 0.009 C +ATOM 1165 CD2 LEU 120 -23.924 17.137 73.335 0.00 0.00 0.009 C +ATOM 1166 N GLU 121 -23.333 12.348 73.149 0.00 0.00 -0.346 N +ATOM 1167 HN GLU 121 -23.298 12.422 74.166 1.00 0.00 0.163 HD +ATOM 1168 CA GLU 121 -24.320 11.452 72.542 0.00 0.00 0.177 C +ATOM 1169 C GLU 121 -25.658 12.120 72.796 0.00 0.00 0.241 C +ATOM 1170 O GLU 121 -25.976 12.472 73.926 0.00 0.00 -0.271 OA +ATOM 1171 CB GLU 121 -24.262 10.036 73.144 0.00 0.00 0.045 C +ATOM 1172 CG GLU 121 -22.994 9.303 72.701 0.00 0.00 0.116 C +ATOM 1173 CD GLU 121 -23.112 7.799 72.956 0.00 0.00 0.172 C +ATOM 1174 OE1 GLU 121 -23.526 7.049 72.059 0.00 0.00 -0.648 OA +ATOM 1175 OE2 GLU 121 -22.755 7.416 74.134 0.00 0.00 -0.648 OA +ATOM 1176 N ALA 122 -26.378 12.433 71.732 0.00 0.00 -0.346 N +ATOM 1177 HN ALA 122 -26.037 12.192 70.801 1.00 0.00 0.163 HD +ATOM 1178 CA ALA 122 -27.647 13.116 71.879 0.00 0.00 0.172 C +ATOM 1179 C ALA 122 -28.780 12.280 71.309 0.00 0.00 0.240 C +ATOM 1180 O ALA 122 -28.570 11.456 70.417 0.00 0.00 -0.271 OA +ATOM 1181 CB ALA 122 -27.585 14.506 71.219 0.00 0.00 0.042 C +ATOM 1182 N ASP 123 -29.967 12.483 71.875 0.00 0.00 -0.346 N +ATOM 1183 HN ASP 123 -30.026 13.178 72.620 1.00 0.00 0.163 HD +ATOM 1184 CA ASP 123 -31.197 11.776 71.501 0.00 0.00 0.186 C +ATOM 1185 C ASP 123 -32.301 12.821 71.639 0.00 0.00 0.241 C +ATOM 1186 O ASP 123 -32.051 13.908 72.168 0.00 0.00 -0.271 OA +ATOM 1187 CB ASP 123 -31.431 10.644 72.518 0.00 0.00 0.147 C +ATOM 1188 CG ASP 123 -32.594 9.706 72.186 0.00 0.00 0.175 C +ATOM 1189 OD1 ASP 123 -33.265 9.861 71.154 0.00 0.00 -0.648 OA +ATOM 1190 OD2 ASP 123 -32.804 8.771 73.049 0.00 0.00 -0.648 OA +ATOM 1191 N GLY 124 -33.501 12.519 71.147 0.00 0.00 -0.351 N +ATOM 1192 HN GLY 124 -33.643 11.629 70.670 1.00 0.00 0.163 HD +ATOM 1193 CA GLY 124 -34.611 13.448 71.285 0.00 0.00 0.225 C +ATOM 1194 C GLY 124 -34.424 14.818 70.656 0.00 0.00 0.236 C +ATOM 1195 O GLY 124 -33.866 14.942 69.548 0.00 0.00 -0.272 OA +ATOM 1196 N LEU 125 -34.826 15.851 71.393 0.00 0.00 -0.346 N +ATOM 1197 HN LEU 125 -35.200 15.678 72.326 1.00 0.00 0.163 HD +ATOM 1198 CA LEU 125 -34.748 17.215 70.908 0.00 0.00 0.177 C +ATOM 1199 C LEU 125 -33.324 17.756 70.728 0.00 0.00 0.241 C +ATOM 1200 O LEU 125 -33.099 18.614 69.854 0.00 0.00 -0.271 OA +ATOM 1201 CB LEU 125 -35.550 18.156 71.826 0.00 0.00 0.038 C +ATOM 1202 CG LEU 125 -35.600 19.625 71.402 0.00 0.00 -0.020 C +ATOM 1203 CD1 LEU 125 -36.275 19.780 70.037 0.00 0.00 0.009 C +ATOM 1204 CD2 LEU 125 -36.273 20.483 72.475 0.00 0.00 0.009 C +ATOM 1205 N LEU 126 -32.398 17.329 71.597 0.00 0.00 -0.346 N +ATOM 1206 HN LEU 126 -32.676 16.685 72.338 1.00 0.00 0.163 HD +ATOM 1207 CA LEU 126 -30.988 17.761 71.517 0.00 0.00 0.177 C +ATOM 1208 C LEU 126 -30.426 17.290 70.179 0.00 0.00 0.241 C +ATOM 1209 O LEU 126 -29.912 18.096 69.433 0.00 0.00 -0.271 OA +ATOM 1210 CB LEU 126 -30.143 17.210 72.681 0.00 0.00 0.038 C +ATOM 1211 CG LEU 126 -28.683 17.665 72.724 0.00 0.00 -0.020 C +ATOM 1212 CD1 LEU 126 -28.586 19.176 72.944 0.00 0.00 0.009 C +ATOM 1213 CD2 LEU 126 -27.895 16.881 73.775 0.00 0.00 0.009 C +ATOM 1214 N ALA 127 -30.633 16.014 69.847 0.00 0.00 -0.346 N +ATOM 1215 HN ALA 127 -31.140 15.423 70.506 1.00 0.00 0.163 HD +ATOM 1216 CA ALA 127 -30.174 15.410 68.588 0.00 0.00 0.172 C +ATOM 1217 C ALA 127 -30.642 16.123 67.319 0.00 0.00 0.240 C +ATOM 1218 O ALA 127 -29.888 16.241 66.334 0.00 0.00 -0.271 OA +ATOM 1219 CB ALA 127 -30.595 13.930 68.538 0.00 0.00 0.042 C +ATOM 1220 N ILE 128 -31.900 16.564 67.348 0.00 0.00 -0.346 N +ATOM 1221 HN ILE 128 -32.445 16.387 68.192 1.00 0.00 0.163 HD +ATOM 1222 CA ILE 128 -32.553 17.283 66.256 0.00 0.00 0.180 C +ATOM 1223 C ILE 128 -32.022 18.718 66.174 0.00 0.00 0.241 C +ATOM 1224 O ILE 128 -31.841 19.282 65.088 0.00 0.00 -0.271 OA +ATOM 1225 CB ILE 128 -34.073 17.293 66.502 0.00 0.00 0.013 C +ATOM 1226 CG1 ILE 128 -34.693 15.938 66.155 0.00 0.00 0.002 C +ATOM 1227 CG2 ILE 128 -34.744 18.441 65.745 0.00 0.00 0.012 C +ATOM 1228 CD1 ILE 128 -36.107 15.819 66.728 0.00 0.00 0.005 C +ATOM 1229 N CYS 129 -31.828 19.321 67.338 0.00 0.00 -0.345 N +ATOM 1230 HN CYS 129 -32.042 18.811 68.195 1.00 0.00 0.163 HD +ATOM 1231 CA CYS 129 -31.320 20.687 67.442 0.00 0.00 0.185 C +ATOM 1232 C CYS 129 -29.870 20.785 66.908 0.00 0.00 0.241 C +ATOM 1233 O CYS 129 -29.570 21.636 66.064 0.00 0.00 -0.271 OA +ATOM 1234 CB CYS 129 -31.396 21.141 68.912 0.00 0.00 0.105 C +ATOM 1235 SG CYS 129 -30.697 22.786 69.238 0.00 0.00 -0.180 SA +ATOM 1236 HSG CYS 129 -30.784 23.012 70.217 0.00 0.00 0.101 HD +ATOM 1237 N ILE 130 -29.007 19.876 67.369 0.00 0.00 -0.346 N +ATOM 1238 HN ILE 130 -29.333 19.202 68.062 1.00 0.00 0.163 HD +ATOM 1239 CA ILE 130 -27.614 19.805 66.924 0.00 0.00 0.180 C +ATOM 1240 C ILE 130 -27.592 19.714 65.392 0.00 0.00 0.241 C +ATOM 1241 O ILE 130 -26.929 20.507 64.728 0.00 0.00 -0.271 OA +ATOM 1242 CB ILE 130 -26.913 18.562 67.502 0.00 0.00 0.013 C +ATOM 1243 CG1 ILE 130 -26.590 18.754 68.985 0.00 0.00 0.002 C +ATOM 1244 CG2 ILE 130 -25.669 18.205 66.686 0.00 0.00 0.012 C +ATOM 1245 CD1 ILE 130 -25.812 17.558 69.537 0.00 0.00 0.005 C +ATOM 1246 N GLN 131 -28.387 18.799 64.835 0.00 0.00 -0.346 N +ATOM 1247 HN GLN 131 -28.967 18.214 65.436 1.00 0.00 0.163 HD +ATOM 1248 CA GLN 131 -28.449 18.612 63.391 0.00 0.00 0.177 C +ATOM 1249 C GLN 131 -28.892 19.844 62.661 0.00 0.00 0.241 C +ATOM 1250 O GLN 131 -28.413 20.128 61.573 0.00 0.00 -0.271 OA +ATOM 1251 CB GLN 131 -29.396 17.457 63.016 0.00 0.00 0.044 C +ATOM 1252 CG GLN 131 -28.801 16.107 63.421 0.00 0.00 0.105 C +ATOM 1253 CD GLN 131 -29.822 14.981 63.240 0.00 0.00 0.215 C +ATOM 1254 OE1 GLN 131 -30.105 14.535 62.141 0.00 0.00 -0.274 OA +ATOM 1255 NE2 GLN 131 -30.357 14.550 64.379 0.00 0.00 -0.370 N +ATOM 1256 1HE2 GLN 131 -30.120 14.923 65.298 1.00 0.00 0.159 HD +ATOM 1257 2HE2 GLN 131 -31.037 13.800 64.258 1.00 0.00 0.159 HD +ATOM 1258 N HIZ 132 -29.793 20.599 63.266 0.00 0.00 -0.346 N +ATOM 1259 HN HIZ 132 -30.121 20.339 64.196 1.00 0.00 0.163 HD +ATOM 1260 CA HIZ 132 -30.323 21.790 62.631 0.00 0.00 0.182 C +ATOM 1261 C HIZ 132 -29.308 22.952 62.674 0.00 0.00 0.241 C +ATOM 1262 O HIZ 132 -29.212 23.745 61.730 0.00 0.00 -0.271 OA +ATOM 1263 CB HIZ 132 -31.675 22.091 63.304 0.00 0.00 0.093 C +ATOM 1264 CG HIZ 132 -32.164 23.504 63.095 0.00 0.00 0.028 A +ATOM 1265 ND1 HIZ 132 -33.326 23.801 62.403 0.00 0.00 -0.354 N +ATOM 1266 HD1 HIZ 132 -33.956 23.122 61.975 1.00 0.00 0.166 HD +ATOM 1267 CD2 HIZ 132 -31.638 24.698 63.494 0.00 0.00 0.114 A +ATOM 1268 CE1 HIZ 132 -33.481 25.117 62.392 0.00 0.00 0.180 A +ATOM 1269 NE2 HIZ 132 -32.434 25.671 63.068 0.00 0.00 -0.360 N +ATOM 1270 HE2 HIZ 132 -32.287 26.669 63.221 1.00 0.00 0.166 HD +ATOM 1271 N GLU 133 -28.560 23.063 63.769 0.00 0.00 -0.346 N +ATOM 1272 HN GLU 133 -28.693 22.409 64.540 1.00 0.00 0.163 HD +ATOM 1273 CA GLU 133 -27.546 24.117 63.877 0.00 0.00 0.177 C +ATOM 1274 C GLU 133 -26.351 23.807 62.936 0.00 0.00 0.241 C +ATOM 1275 O GLU 133 -25.948 24.668 62.153 0.00 0.00 -0.271 OA +ATOM 1276 CB GLU 133 -27.042 24.272 65.324 0.00 0.00 0.045 C +ATOM 1277 CG GLU 133 -28.208 24.497 66.289 0.00 0.00 0.116 C +ATOM 1278 CD GLU 133 -29.074 25.674 65.838 0.00 0.00 0.172 C +ATOM 1279 OE1 GLU 133 -28.760 26.325 64.830 0.00 0.00 -0.648 OA +ATOM 1280 OE2 GLU 133 -30.108 25.905 66.574 0.00 0.00 -0.648 OA +ATOM 1281 N MET 134 -25.840 22.573 62.998 0.00 0.00 -0.346 N +ATOM 1282 HN MET 134 -26.232 21.916 63.673 1.00 0.00 0.163 HD +ATOM 1283 CA MET 134 -24.738 22.121 62.136 0.00 0.00 0.177 C +ATOM 1284 C MET 134 -25.081 22.366 60.669 0.00 0.00 0.241 C +ATOM 1285 O MET 134 -24.222 22.810 59.890 0.00 0.00 -0.271 OA +ATOM 1286 CB MET 134 -24.405 20.639 62.387 0.00 0.00 0.045 C +ATOM 1287 CG MET 134 -23.651 20.462 63.706 0.00 0.00 0.076 C +ATOM 1288 SD MET 134 -23.003 18.769 63.831 0.00 0.00 -0.173 SA +ATOM 1289 CE MET 134 -21.860 18.763 62.418 0.00 0.00 0.089 C +ATOM 1290 N ASP 135 -26.353 22.163 60.302 0.00 0.00 -0.346 N +ATOM 1291 HN ASP 135 -27.028 21.832 60.991 1.00 0.00 0.163 HD +ATOM 1292 CA ASP 135 -26.788 22.409 58.925 0.00 0.00 0.186 C +ATOM 1293 C ASP 135 -26.551 23.868 58.576 0.00 0.00 0.241 C +ATOM 1294 O ASP 135 -26.255 24.223 57.440 0.00 0.00 -0.271 OA +ATOM 1295 CB ASP 135 -28.289 22.118 58.744 0.00 0.00 0.147 C +ATOM 1296 CG ASP 135 -28.626 20.680 58.346 0.00 0.00 0.175 C +ATOM 1297 OD1 ASP 135 -27.748 19.805 58.311 0.00 0.00 -0.648 OA +ATOM 1298 OD2 ASP 135 -29.866 20.469 58.060 0.00 0.00 -0.648 OA +ATOM 1299 N HIZ 136 -26.726 24.725 59.559 0.00 0.00 -0.346 N +ATOM 1300 HN HIZ 136 -26.996 24.384 60.482 1.00 0.00 0.163 HD +ATOM 1301 CA HIZ 136 -26.541 26.139 59.349 0.00 0.00 0.182 C +ATOM 1302 C HIZ 136 -25.130 26.513 58.934 0.00 0.00 0.241 C +ATOM 1303 O HIZ 136 -24.947 27.291 57.995 0.00 0.00 -0.271 OA +ATOM 1304 CB HIZ 136 -26.961 26.917 60.610 0.00 0.00 0.093 C +ATOM 1305 CG HIZ 136 -28.357 27.488 60.542 0.00 0.00 0.028 A +ATOM 1306 ND1 HIZ 136 -28.767 28.350 59.540 0.00 0.00 -0.354 N +ATOM 1307 HD1 HIZ 136 -28.192 28.681 58.766 1.00 0.00 0.166 HD +ATOM 1308 CD2 HIZ 136 -29.433 27.311 61.362 0.00 0.00 0.114 A +ATOM 1309 CE1 HIZ 136 -30.034 28.672 59.757 0.00 0.00 0.180 A +ATOM 1310 NE2 HIZ 136 -30.445 28.027 60.887 0.00 0.00 -0.360 N +ATOM 1311 HE2 HIZ 136 -31.376 28.085 61.299 1.00 0.00 0.166 HD +ATOM 1312 N LEU 137 -24.144 25.922 59.603 0.00 0.00 -0.346 N +ATOM 1313 HN LEU 137 -24.381 25.250 60.333 1.00 0.00 0.163 HD +ATOM 1314 CA LEU 137 -22.729 26.198 59.333 0.00 0.00 0.177 C +ATOM 1315 C LEU 137 -22.310 25.822 57.916 0.00 0.00 0.241 C +ATOM 1316 O LEU 137 -21.278 26.253 57.436 0.00 0.00 -0.271 OA +ATOM 1317 CB LEU 137 -21.842 25.483 60.369 0.00 0.00 0.038 C +ATOM 1318 CG LEU 137 -22.058 25.887 61.829 0.00 0.00 -0.020 C +ATOM 1319 CD1 LEU 137 -21.296 24.956 62.774 0.00 0.00 0.009 C +ATOM 1320 CD2 LEU 137 -21.690 27.355 62.052 0.00 0.00 0.009 C +ATOM 1321 N VAL 138 -23.125 25.017 57.246 0.00 0.00 -0.346 N +ATOM 1322 HN VAL 138 -23.968 24.670 57.703 1.00 0.00 0.163 HD +ATOM 1323 CA VAL 138 -22.848 24.620 55.885 0.00 0.00 0.180 C +ATOM 1324 C VAL 138 -23.847 25.244 54.898 0.00 0.00 0.241 C +ATOM 1325 O VAL 138 -24.026 24.746 53.793 0.00 0.00 -0.271 OA +ATOM 1326 CB VAL 138 -22.748 23.091 55.731 0.00 0.00 0.009 C +ATOM 1327 CG1 VAL 138 -21.576 22.534 56.541 0.00 0.00 0.012 C +ATOM 1328 CG2 VAL 138 -24.061 22.413 56.128 0.00 0.00 0.012 C +ATOM 1329 N GLY 139 -24.452 26.363 55.293 0.00 0.00 -0.351 N +ATOM 1330 HN GLY 139 -24.242 26.741 56.217 1.00 0.00 0.163 HD +ATOM 1331 CA GLY 139 -25.407 27.063 54.441 0.00 0.00 0.225 C +ATOM 1332 C GLY 139 -26.700 26.327 54.098 0.00 0.00 0.236 C +ATOM 1333 O GLY 139 -27.301 26.594 53.057 0.00 0.00 -0.272 OA +ATOM 1334 N LYS 140 -27.131 25.421 54.978 0.00 0.00 -0.346 N +ATOM 1335 HN LYS 140 -26.594 25.274 55.833 1.00 0.00 0.163 HD +ATOM 1336 CA LYS 140 -28.341 24.633 54.764 0.00 0.00 0.176 C +ATOM 1337 C LYS 140 -29.430 25.007 55.768 0.00 0.00 0.241 C +ATOM 1338 O LYS 140 -29.159 25.266 56.943 0.00 0.00 -0.271 OA +ATOM 1339 CB LYS 140 -28.026 23.128 54.854 0.00 0.00 0.035 C +ATOM 1340 CG LYS 140 -29.222 22.290 54.400 0.00 0.00 0.004 C +ATOM 1341 CD LYS 140 -28.974 20.800 54.649 0.00 0.00 0.027 C +ATOM 1342 CE LYS 140 -27.912 20.254 53.693 0.00 0.00 0.229 C +ATOM 1343 NZ LYS 140 -27.890 18.783 53.733 0.00 0.00 -0.079 N +ATOM 1344 HZ1 LYS 140 -27.182 18.419 53.096 1.00 0.00 0.274 HD +ATOM 1345 HZ2 LYS 140 -28.810 18.385 53.545 1.00 0.00 0.274 HD +ATOM 1346 HZ3 LYS 140 -27.763 18.431 54.682 1.00 0.00 0.274 HD +ATOM 1347 N LEU 141 -30.666 25.049 55.274 0.00 0.00 -0.346 N +ATOM 1348 HN LEU 141 -30.807 24.812 54.292 1.00 0.00 0.163 HD +ATOM 1349 CA LEU 141 -31.828 25.420 56.076 0.00 0.00 0.177 C +ATOM 1350 C LEU 141 -32.853 24.277 56.030 0.00 0.00 0.241 C +ATOM 1351 O LEU 141 -32.900 23.545 55.039 0.00 0.00 -0.271 OA +ATOM 1352 CB LEU 141 -32.418 26.721 55.500 0.00 0.00 0.038 C +ATOM 1353 CG LEU 141 -31.449 27.898 55.373 0.00 0.00 -0.020 C +ATOM 1354 CD1 LEU 141 -32.082 29.046 54.584 0.00 0.00 0.009 C +ATOM 1355 CD2 LEU 141 -30.954 28.352 56.747 0.00 0.00 0.009 C +ATOM 1356 N PHE 142 -33.656 24.113 57.090 0.00 0.00 -0.346 N +ATOM 1357 HN PHE 142 -33.570 24.759 57.875 1.00 0.00 0.163 HD +ATOM 1358 CA PHE 142 -34.666 23.027 57.165 0.00 0.00 0.180 C +ATOM 1359 C PHE 142 -35.662 22.911 55.979 0.00 0.00 0.241 C +ATOM 1360 O PHE 142 -36.063 21.799 55.569 0.00 0.00 -0.271 OA +ATOM 1361 CB PHE 142 -35.395 23.039 58.521 0.00 0.00 0.073 C +ATOM 1362 CG PHE 142 -36.524 24.055 58.626 0.00 0.00 -0.056 A +ATOM 1363 CD1 PHE 142 -37.749 23.835 57.953 0.00 0.00 0.007 A +ATOM 1364 CD2 PHE 142 -36.351 25.230 59.394 0.00 0.00 0.007 A +ATOM 1365 CE1 PHE 142 -38.791 24.782 58.050 0.00 0.00 0.001 A +ATOM 1366 CE2 PHE 142 -37.394 26.176 59.490 0.00 0.00 0.001 A +ATOM 1367 CZ PHE 142 -38.614 25.952 58.818 0.00 0.00 0.000 A +ATOM 1368 N MET 143 -36.014 24.051 55.389 0.00 0.00 -0.346 N +ATOM 1369 HN MET 143 -35.638 24.934 55.733 1.00 0.00 0.163 HD +ATOM 1370 CA MET 143 -36.923 24.051 54.266 0.00 0.00 0.177 C +ATOM 1371 C MET 143 -36.339 23.390 53.015 0.00 0.00 0.241 C +ATOM 1372 O MET 143 -37.100 22.941 52.156 0.00 0.00 -0.271 OA +ATOM 1373 CB MET 143 -37.422 25.478 53.972 0.00 0.00 0.045 C +ATOM 1374 CG MET 143 -36.261 26.397 53.587 0.00 0.00 0.076 C +ATOM 1375 SD MET 143 -36.891 28.041 53.140 0.00 0.00 -0.173 SA +ATOM 1376 CE MET 143 -37.862 27.616 51.664 0.00 0.00 0.089 C +ATOM 1377 N ASP 144 -35.009 23.240 52.951 0.00 0.00 -0.346 N +ATOM 1378 HN ASP 144 -34.437 23.572 53.728 1.00 0.00 0.163 HD +ATOM 1379 CA ASP 144 -34.342 22.609 51.791 0.00 0.00 0.186 C +ATOM 1380 C ASP 144 -34.730 21.158 51.698 0.00 0.00 0.241 C +ATOM 1381 O ASP 144 -34.539 20.521 50.659 0.00 0.00 -0.271 OA +ATOM 1382 CB ASP 144 -32.807 22.652 51.903 0.00 0.00 0.147 C +ATOM 1383 CG ASP 144 -32.198 24.056 51.915 0.00 0.00 0.175 C +ATOM 1384 OD1 ASP 144 -32.771 25.005 51.359 0.00 0.00 -0.648 OA +ATOM 1385 OD2 ASP 144 -31.072 24.156 52.535 0.00 0.00 -0.648 OA +ATOM 1386 N TYR 145 -35.199 20.626 52.822 0.00 0.00 -0.346 N +ATOM 1387 HN TYR 145 -35.255 21.218 53.651 1.00 0.00 0.163 HD +ATOM 1388 CA TYR 145 -35.640 19.233 52.932 0.00 0.00 0.180 C +ATOM 1389 C TYR 145 -37.030 19.017 52.337 0.00 0.00 0.241 C +ATOM 1390 O TYR 145 -37.394 17.898 51.978 0.00 0.00 -0.271 OA +ATOM 1391 CB TYR 145 -35.676 18.809 54.412 0.00 0.00 0.073 C +ATOM 1392 CG TYR 145 -34.309 18.542 55.026 0.00 0.00 -0.056 A +ATOM 1393 CD1 TYR 145 -33.726 19.479 55.910 0.00 0.00 0.010 A +ATOM 1394 CD2 TYR 145 -33.611 17.354 54.708 0.00 0.00 0.010 A +ATOM 1395 CE1 TYR 145 -32.457 19.228 56.474 0.00 0.00 0.037 A +ATOM 1396 CE2 TYR 145 -32.342 17.103 55.272 0.00 0.00 0.037 A +ATOM 1397 CZ TYR 145 -31.764 18.039 56.156 0.00 0.00 0.065 A +ATOM 1398 OH TYR 145 -30.535 17.792 56.700 0.00 0.00 -0.361 OA +ATOM 1399 HOH TYR 145 -30.297 18.516 57.267 0.00 0.00 0.217 HD +ATOM 1400 N LEU 146 -37.789 20.103 52.250 0.00 0.00 -0.346 N +ATOM 1401 HN LEU 146 -37.390 20.995 52.541 1.00 0.00 0.163 HD +ATOM 1402 CA LEU 146 -39.165 20.088 51.760 0.00 0.00 0.177 C +ATOM 1403 C LEU 146 -39.327 20.064 50.226 0.00 0.00 0.241 C +ATOM 1404 O LEU 146 -38.355 20.255 49.471 0.00 0.00 -0.271 OA +ATOM 1405 CB LEU 146 -39.933 21.258 52.403 0.00 0.00 0.038 C +ATOM 1406 CG LEU 146 -39.693 21.477 53.898 0.00 0.00 -0.020 C +ATOM 1407 CD1 LEU 146 -40.519 22.655 54.419 0.00 0.00 0.009 C +ATOM 1408 CD2 LEU 146 -39.959 20.196 54.690 0.00 0.00 0.009 C +ATOM 1409 N SER 147 -40.548 19.763 49.775 0.00 0.00 -0.344 N +ATOM 1410 HN SER 147 -41.288 19.574 50.451 1.00 0.00 0.163 HD +ATOM 1411 CA SER 147 -40.863 19.695 48.349 0.00 0.00 0.200 C +ATOM 1412 C SER 147 -40.856 21.104 47.766 0.00 0.00 0.249 C +ATOM 1413 O SER 147 -40.978 22.087 48.508 0.00 0.00 -0.271 OA +ATOM 1414 CB SER 147 -42.255 19.070 48.140 0.00 0.00 0.199 C +ATOM 1415 OG SER 147 -43.302 20.007 48.380 0.00 0.00 -0.398 OA +ATOM 1416 HOG SER 147 -44.138 19.579 48.240 0.00 0.00 0.209 HD +ATOM 1417 N PRO 148 -40.762 21.220 46.426 0.00 0.00 -0.315 N +ATOM 1418 CA PRO 148 -40.745 22.519 45.737 0.00 0.00 0.082 C +ATOM 1419 C PRO 148 -41.975 23.350 46.082 0.00 0.00 0.265 C +ATOM 1420 O PRO 148 -41.870 24.544 46.357 0.00 0.00 -0.266 OA +ATOM 1421 CB PRO 148 -40.173 22.305 44.419 0.00 0.00 0.065 C +ATOM 1422 CG PRO 148 -40.314 20.815 44.153 0.00 0.00 0.026 C +ATOM 1423 CD PRO 148 -40.634 20.134 45.474 0.00 0.00 0.132 C +ATOM 1424 N LEU 149 -43.133 22.696 46.120 0.00 0.00 -0.343 N +ATOM 1425 HN LEU 149 -43.144 21.695 45.926 1.00 0.00 0.163 HD +ATOM 1426 CA LEU 149 -44.387 23.372 46.431 0.00 0.00 0.177 C +ATOM 1427 C LEU 149 -44.411 23.891 47.865 0.00 0.00 0.241 C +ATOM 1428 O LEU 149 -44.881 25.002 48.113 0.00 0.00 -0.271 OA +ATOM 1429 CB LEU 149 -45.589 22.440 46.188 0.00 0.00 0.038 C +ATOM 1430 CG LEU 149 -45.587 21.674 44.864 0.00 0.00 -0.020 C +ATOM 1431 CD1 LEU 149 -45.140 20.225 45.069 0.00 0.00 0.009 C +ATOM 1432 CD2 LEU 149 -46.952 21.761 44.178 0.00 0.00 0.009 C +ATOM 1433 N LYS 150 -43.918 23.095 48.814 0.00 0.00 -0.346 N +ATOM 1434 HN LYS 150 -43.544 22.178 48.571 1.00 0.00 0.163 HD +ATOM 1435 CA LYS 150 -43.917 23.544 50.201 0.00 0.00 0.176 C +ATOM 1436 C LYS 150 -42.913 24.654 50.389 0.00 0.00 0.241 C +ATOM 1437 O LYS 150 -43.158 25.614 51.118 0.00 0.00 -0.271 OA +ATOM 1438 CB LYS 150 -43.581 22.405 51.181 0.00 0.00 0.035 C +ATOM 1439 CG LYS 150 -44.091 22.722 52.587 0.00 0.00 0.004 C +ATOM 1440 CD LYS 150 -45.595 22.464 52.696 0.00 0.00 0.027 C +ATOM 1441 CE LYS 150 -45.924 21.002 52.385 0.00 0.00 0.229 C +ATOM 1442 NZ LYS 150 -47.380 20.786 52.406 0.00 0.00 -0.079 N +ATOM 1443 HZ1 LYS 150 -47.599 19.812 52.199 1.00 0.00 0.274 HD +ATOM 1444 HZ2 LYS 150 -47.868 21.426 51.779 1.00 0.00 0.274 HD +ATOM 1445 HZ3 LYS 150 -47.796 21.089 53.287 1.00 0.00 0.274 HD +ATOM 1446 N GLN 151 -41.755 24.490 49.759 0.00 0.00 -0.346 N +ATOM 1447 HN GLN 151 -41.600 23.640 49.216 1.00 0.00 0.163 HD +ATOM 1448 CA GLN 151 -40.706 25.489 49.824 0.00 0.00 0.177 C +ATOM 1449 C GLN 151 -41.294 26.750 49.262 0.00 0.00 0.241 C +ATOM 1450 O GLN 151 -41.068 27.825 49.795 0.00 0.00 -0.271 OA +ATOM 1451 CB GLN 151 -39.488 25.078 48.976 0.00 0.00 0.044 C +ATOM 1452 CG GLN 151 -38.764 23.883 49.599 0.00 0.00 0.105 C +ATOM 1453 CD GLN 151 -37.311 23.814 49.125 0.00 0.00 0.215 C +ATOM 1454 OE1 GLN 151 -36.587 24.796 49.113 0.00 0.00 -0.274 OA +ATOM 1455 NE2 GLN 151 -36.926 22.602 48.736 0.00 0.00 -0.370 N +ATOM 1456 1HE2 GLN 151 -37.531 21.781 48.746 1.00 0.00 0.159 HD +ATOM 1457 2HE2 GLN 151 -35.957 22.556 48.420 1.00 0.00 0.159 HD +ATOM 1458 N GLN 152 -42.084 26.606 48.203 0.00 0.00 -0.346 N +ATOM 1459 HN GLN 152 -42.241 25.675 47.817 1.00 0.00 0.163 HD +ATOM 1460 CA GLN 152 -42.731 27.758 47.583 0.00 0.00 0.177 C +ATOM 1461 C GLN 152 -43.705 28.465 48.538 0.00 0.00 0.241 C +ATOM 1462 O GLN 152 -43.699 29.700 48.651 0.00 0.00 -0.271 OA +ATOM 1463 CB GLN 152 -43.482 27.333 46.307 0.00 0.00 0.044 C +ATOM 1464 CG GLN 152 -44.199 28.525 45.670 0.00 0.00 0.105 C +ATOM 1465 CD GLN 152 -45.212 28.060 44.622 0.00 0.00 0.215 C +ATOM 1466 OE1 GLN 152 -45.427 26.877 44.412 0.00 0.00 -0.274 OA +ATOM 1467 NE2 GLN 152 -45.820 29.052 43.980 0.00 0.00 -0.370 N +ATOM 1468 1HE2 GLN 152 -45.640 30.041 44.155 1.00 0.00 0.159 HD +ATOM 1469 2HE2 GLN 152 -46.495 28.742 43.281 1.00 0.00 0.159 HD +ATOM 1470 N ARG 153 -44.541 27.679 49.215 0.00 0.00 -0.346 N +ATOM 1471 HN ARG 153 -44.504 26.671 49.063 1.00 0.00 0.163 HD +ATOM 1472 CA ARG 153 -45.511 28.215 50.170 0.00 0.00 0.176 C +ATOM 1473 C ARG 153 -44.812 28.885 51.365 0.00 0.00 0.241 C +ATOM 1474 O ARG 153 -45.277 29.916 51.859 0.00 0.00 -0.271 OA +ATOM 1475 CB ARG 153 -46.470 27.107 50.645 0.00 0.00 0.036 C +ATOM 1476 CG ARG 153 -47.167 26.440 49.457 0.00 0.00 0.023 C +ATOM 1477 CD ARG 153 -48.119 25.339 49.929 0.00 0.00 0.138 C +ATOM 1478 NE ARG 153 -48.780 24.709 48.765 0.00 0.00 -0.227 N +ATOM 1479 HE ARG 153 -48.543 25.055 47.835 1.00 0.00 0.177 HD +ATOM 1480 CZ ARG 153 -49.678 23.704 48.856 0.00 0.00 0.665 C +ATOM 1481 NH1 ARG 153 -50.005 23.233 50.067 0.00 0.00 -0.235 N +ATOM 1482 1HH1 ARG 153 -49.582 23.627 50.907 1.00 0.00 0.174 HD +ATOM 1483 2HH1 ARG 153 -50.683 22.474 50.136 1.00 0.00 0.174 HD +ATOM 1484 NH2 ARG 153 -50.233 23.186 47.752 0.00 0.00 -0.235 N +ATOM 1485 1HH2 ARG 153 -49.984 23.545 46.830 1.00 0.00 0.174 HD +ATOM 1486 2HH2 ARG 153 -50.911 22.427 47.821 1.00 0.00 0.174 HD +ATOM 1487 N ILE 154 -43.699 28.308 51.824 0.00 0.00 -0.346 N +ATOM 1488 HN ILE 154 -43.368 27.447 51.389 1.00 0.00 0.163 HD +ATOM 1489 CA ILE 154 -42.942 28.884 52.939 0.00 0.00 0.180 C +ATOM 1490 C ILE 154 -42.393 30.250 52.524 0.00 0.00 0.241 C +ATOM 1491 O ILE 154 -42.532 31.236 53.256 0.00 0.00 -0.271 OA +ATOM 1492 CB ILE 154 -41.753 27.997 53.354 0.00 0.00 0.013 C +ATOM 1493 CG1 ILE 154 -42.232 26.622 53.823 0.00 0.00 0.002 C +ATOM 1494 CG2 ILE 154 -40.890 28.694 54.407 0.00 0.00 0.012 C +ATOM 1495 CD1 ILE 154 -41.051 25.740 54.232 0.00 0.00 0.005 C +ATOM 1496 N ARG 155 -41.783 30.289 51.341 0.00 0.00 -0.346 N +ATOM 1497 HN ARG 155 -41.717 29.427 50.799 1.00 0.00 0.163 HD +ATOM 1498 CA ARG 155 -41.205 31.506 50.784 0.00 0.00 0.176 C +ATOM 1499 C ARG 155 -42.245 32.614 50.654 0.00 0.00 0.241 C +ATOM 1500 O ARG 155 -41.978 33.758 51.034 0.00 0.00 -0.271 OA +ATOM 1501 CB ARG 155 -40.575 31.235 49.405 0.00 0.00 0.036 C +ATOM 1502 CG ARG 155 -39.318 30.373 49.536 0.00 0.00 0.023 C +ATOM 1503 CD ARG 155 -38.663 30.148 48.172 0.00 0.00 0.138 C +ATOM 1504 NE ARG 155 -39.446 29.165 47.391 0.00 0.00 -0.227 N +ATOM 1505 HE ARG 155 -39.432 28.192 47.696 1.00 0.00 0.177 HD +ATOM 1506 CZ ARG 155 -40.178 29.476 46.300 0.00 0.00 0.665 C +ATOM 1507 NH1 ARG 155 -40.213 30.749 45.882 0.00 0.00 -0.235 N +ATOM 1508 1HH1 ARG 155 -40.766 30.984 45.058 1.00 0.00 0.174 HD +ATOM 1509 2HH1 ARG 155 -39.693 31.472 46.380 1.00 0.00 0.174 HD +ATOM 1510 NH2 ARG 155 -40.861 28.527 45.646 0.00 0.00 -0.235 N +ATOM 1511 1HH2 ARG 155 -41.414 28.762 44.822 1.00 0.00 0.174 HD +ATOM 1512 2HH2 ARG 155 -40.834 27.558 45.964 1.00 0.00 0.174 HD +ATOM 1513 N GLN 156 -43.422 32.271 50.124 0.00 0.00 -0.346 N +ATOM 1514 HN GLN 156 -43.567 31.301 49.843 1.00 0.00 0.163 HD +ATOM 1515 CA GLN 156 -44.519 33.234 49.928 0.00 0.00 0.177 C +ATOM 1516 C GLN 156 -45.189 33.721 51.220 0.00 0.00 0.241 C +ATOM 1517 O GLN 156 -45.706 34.841 51.269 0.00 0.00 -0.271 OA +ATOM 1518 CB GLN 156 -45.575 32.653 48.969 0.00 0.00 0.044 C +ATOM 1519 CG GLN 156 -44.966 32.359 47.596 0.00 0.00 0.105 C +ATOM 1520 CD GLN 156 -46.000 31.729 46.662 0.00 0.00 0.215 C +ATOM 1521 OE1 GLN 156 -47.116 31.420 47.046 0.00 0.00 -0.274 OA +ATOM 1522 NE2 GLN 156 -45.569 31.555 45.416 0.00 0.00 -0.370 N +ATOM 1523 1HE2 GLN 156 -44.636 31.813 45.095 1.00 0.00 0.159 HD +ATOM 1524 2HE2 GLN 156 -46.259 31.135 44.793 1.00 0.00 0.159 HD +ATOM 1525 N LYS 157 -45.192 32.871 52.250 0.00 0.00 -0.346 N +ATOM 1526 HN LYS 157 -44.774 31.949 52.124 1.00 0.00 0.163 HD +ATOM 1527 CA LYS 157 -45.769 33.205 53.551 0.00 0.00 0.176 C +ATOM 1528 C LYS 157 -44.822 34.094 54.338 0.00 0.00 0.241 C +ATOM 1529 O LYS 157 -45.253 34.976 55.083 0.00 0.00 -0.271 OA +ATOM 1530 CB LYS 157 -46.068 31.928 54.358 0.00 0.00 0.035 C +ATOM 1531 CG LYS 157 -47.271 31.182 53.778 0.00 0.00 0.004 C +ATOM 1532 CD LYS 157 -47.618 29.957 54.627 0.00 0.00 0.027 C +ATOM 1533 CE LYS 157 -48.849 29.237 54.073 0.00 0.00 0.229 C +ATOM 1534 NZ LYS 157 -50.024 30.123 54.110 0.00 0.00 -0.079 N +ATOM 1535 HZ1 LYS 157 -50.845 29.643 53.741 1.00 0.00 0.274 HD +ATOM 1536 HZ2 LYS 157 -49.850 31.004 53.626 1.00 0.00 0.274 HD +ATOM 1537 HZ3 LYS 157 -50.190 30.494 55.046 1.00 0.00 0.274 HD +ATOM 1538 N VAL 158 -43.527 33.823 54.209 0.00 0.00 -0.346 N +ATOM 1539 HN VAL 158 -43.235 33.039 53.626 1.00 0.00 0.163 HD +ATOM 1540 CA VAL 158 -42.520 34.625 54.884 0.00 0.00 0.180 C +ATOM 1541 C VAL 158 -42.588 36.016 54.256 0.00 0.00 0.241 C +ATOM 1542 O VAL 158 -42.689 37.017 54.958 0.00 0.00 -0.271 OA +ATOM 1543 CB VAL 158 -41.109 34.034 54.706 0.00 0.00 0.009 C +ATOM 1544 CG1 VAL 158 -40.049 34.955 55.314 0.00 0.00 0.012 C +ATOM 1545 CG2 VAL 158 -41.024 32.629 55.305 0.00 0.00 0.012 C +ATOM 1546 N GLU 159 -42.659 36.055 52.928 0.00 0.00 -0.346 N +ATOM 1547 HN GLU 159 -42.678 35.174 52.415 1.00 0.00 0.163 HD +ATOM 1548 CA GLU 159 -42.711 37.309 52.169 0.00 0.00 0.177 C +ATOM 1549 C GLU 159 -43.880 38.259 52.462 0.00 0.00 0.241 C +ATOM 1550 O GLU 159 -43.944 39.348 51.891 0.00 0.00 -0.271 OA +ATOM 1551 CB GLU 159 -42.627 37.021 50.658 0.00 0.00 0.045 C +ATOM 1552 CG GLU 159 -41.466 36.075 50.345 0.00 0.00 0.116 C +ATOM 1553 CD GLU 159 -41.382 35.789 48.844 0.00 0.00 0.172 C +ATOM 1554 OE1 GLU 159 -42.198 36.308 48.067 0.00 0.00 -0.648 OA +ATOM 1555 OE2 GLU 159 -40.427 34.998 48.492 0.00 0.00 -0.648 OA +ATOM 1556 N LYS 160 -44.805 37.854 53.327 0.00 0.00 -0.346 N +ATOM 1557 HN LYS 160 -44.720 36.931 53.753 1.00 0.00 0.163 HD +ATOM 1558 CA LYS 160 -45.940 38.702 53.680 0.00 0.00 0.176 C +ATOM 1559 C LYS 160 -45.612 39.467 54.957 0.00 0.00 0.241 C +ATOM 1560 O LYS 160 -46.185 40.517 55.229 0.00 0.00 -0.271 OA +ATOM 1561 CB LYS 160 -47.202 37.842 53.878 0.00 0.00 0.035 C +ATOM 1562 CG LYS 160 -47.544 37.068 52.604 0.00 0.00 0.004 C +ATOM 1563 CD LYS 160 -48.798 36.213 52.801 0.00 0.00 0.027 C +ATOM 1564 CE LYS 160 -49.139 35.439 51.526 0.00 0.00 0.229 C +ATOM 1565 NZ LYS 160 -50.346 34.621 51.728 0.00 0.00 -0.079 N +ATOM 1566 HZ1 LYS 160 -50.573 34.105 50.878 1.00 0.00 0.274 HD +ATOM 1567 HZ2 LYS 160 -51.134 35.181 52.054 1.00 0.00 0.274 HD +ATOM 1568 HZ3 LYS 160 -50.255 34.003 52.534 1.00 0.00 0.274 HD +ATOM 1569 N LEU 161 -44.649 38.946 55.709 0.00 0.00 -0.346 N +ATOM 1570 HN LEU 161 -44.188 38.093 55.393 1.00 0.00 0.163 HD +ATOM 1571 CA LEU 161 -44.226 39.544 56.964 0.00 0.00 0.177 C +ATOM 1572 C LEU 161 -42.926 40.355 56.801 0.00 0.00 0.241 C +ATOM 1573 O LEU 161 -42.765 41.053 55.797 0.00 0.00 -0.271 OA +ATOM 1574 CB LEU 161 -44.091 38.449 58.039 0.00 0.00 0.038 C +ATOM 1575 CG LEU 161 -45.332 37.586 58.277 0.00 0.00 -0.020 C +ATOM 1576 CD1 LEU 161 -45.072 36.540 59.363 0.00 0.00 0.009 C +ATOM 1577 CD2 LEU 161 -46.550 38.454 58.597 0.00 0.00 0.009 C +ATOM 1578 N ASP 162 -42.022 40.266 57.791 0.00 0.00 -0.346 N +ATOM 1579 HN ASP 162 -42.248 39.649 58.571 1.00 0.00 0.163 HD +ATOM 1580 CA ASP 162 -40.719 40.987 57.854 0.00 0.00 0.186 C +ATOM 1581 C ASP 162 -40.869 42.518 57.954 0.00 0.00 0.241 C +ATOM 1582 O ASP 162 -39.928 43.243 58.297 0.00 0.00 -0.271 OA +ATOM 1583 CB ASP 162 -39.754 40.586 56.723 0.00 0.00 0.147 C +ATOM 1584 CG ASP 162 -38.765 39.475 57.080 0.00 0.00 0.175 C +ATOM 1585 OD1 ASP 162 -38.611 39.110 58.255 0.00 0.00 -0.648 OA +ATOM 1586 OD2 ASP 162 -38.128 38.969 56.079 0.00 0.00 -0.648 OA +ATOM 1587 N ARG 163 -42.084 42.974 57.676 0.00 0.00 -0.346 N +ATOM 1588 HN ARG 163 -42.788 42.291 57.397 1.00 0.00 0.163 HD +ATOM 1589 CA ARG 163 -42.493 44.365 57.736 0.00 0.00 0.176 C +ATOM 1590 C ARG 163 -43.376 44.331 58.991 0.00 0.00 0.240 C +ATOM 1591 O ARG 163 -42.915 43.878 60.045 0.00 0.00 -0.271 OA +ATOM 1592 CB ARG 163 -43.311 44.688 56.472 0.00 0.00 0.036 C +ATOM 1593 CG ARG 163 -44.349 43.598 56.197 0.00 0.00 0.023 C +ATOM 1594 CD ARG 163 -45.027 43.815 54.843 0.00 0.00 0.138 C +ATOM 1595 NE ARG 163 -44.087 43.488 53.747 0.00 0.00 -0.227 N +ATOM 1596 HE ARG 163 -43.093 43.657 53.904 1.00 0.00 0.177 HD +ATOM 1597 CZ ARG 163 -44.462 42.981 52.554 0.00 0.00 0.665 C +ATOM 1598 NH1 ARG 163 -45.763 42.752 52.325 0.00 0.00 -0.235 N +ATOM 1599 1HH1 ARG 163 -46.046 42.369 51.423 1.00 0.00 0.174 HD +ATOM 1600 2HH1 ARG 163 -46.458 42.958 53.042 1.00 0.00 0.174 HD +ATOM 1601 NH2 ARG 163 -43.549 42.711 51.612 0.00 0.00 -0.235 N +ATOM 1602 1HH2 ARG 163 -43.832 42.328 50.710 1.00 0.00 0.174 HD +ATOM 1603 2HH2 ARG 163 -42.559 42.885 51.786 1.00 0.00 0.174 HD +ATOM 1604 N LEU 164 -44.640 44.734 58.874 0.00 0.00 -0.353 N +ATOM 1605 HN LEU 164 -44.982 45.073 57.975 1.00 0.00 0.163 HD +ATOM 1606 CA LEU 164 -45.537 44.694 60.018 0.00 0.00 0.108 C +ATOM 1607 C LEU 164 -45.581 45.946 60.874 0.00 0.00 0.192 C +ATOM 1608 O LEU 164 -46.054 45.862 62.029 0.00 0.00 -0.389 OA +ATOM 1609 CB LEU 164 -45.120 43.511 60.912 0.00 0.00 0.033 C +ATOM 1610 CG LEU 164 -45.953 43.302 62.179 0.00 0.00 0.007 C +ATOM 1611 CD1 LEU 164 -45.442 42.102 62.978 0.00 0.00 0.012 C +ATOM 1612 CD2 LEU 164 -45.997 44.577 63.023 0.00 0.00 0.172 C +ATOM 1613 ZN ZN4 490 -32.456 27.866 62.346 0.00 0.00 2.000 Zn +TER 1614 ZN4 490 diff --git a/unidock/example/paired_batch/def3.pdbqt b/unidock/example/paired_batch/def3.pdbqt new file mode 100644 index 0000000..b02f4af --- /dev/null +++ b/unidock/example/paired_batch/def3.pdbqt @@ -0,0 +1,1614 @@ +ATOM 1 N SER 1 -24.102 41.977 73.078 0.00 0.00 -0.064 N +ATOM 2 HN1 SER 1 -24.590 41.366 73.732 1.00 0.00 0.275 HD +ATOM 3 HN2 SER 1 -23.447 42.598 73.553 1.00 0.00 0.275 HD +ATOM 4 HN3 SER 1 -23.433 41.464 72.503 1.00 0.00 0.275 HD +ATOM 5 CA SER 1 -25.081 42.730 72.252 0.00 0.00 0.297 C +ATOM 6 C SER 1 -25.984 41.779 71.491 0.00 0.00 0.251 C +ATOM 7 O SER 1 -25.679 40.596 71.347 0.00 0.00 -0.271 OA +ATOM 8 CB SER 1 -24.344 43.653 71.264 0.00 0.00 0.206 C +ATOM 9 OG SER 1 -22.931 43.477 71.322 0.00 0.00 -0.398 OA +ATOM 10 HOG SER 1 -22.520 44.064 70.698 0.00 0.00 0.209 HD +ATOM 11 N VAL 2 -27.131 42.299 71.074 0.00 0.00 -0.346 N +ATOM 12 HN VAL 2 -27.343 43.271 71.298 1.00 0.00 0.163 HD +ATOM 13 CA VAL 2 -28.098 41.525 70.306 0.00 0.00 0.180 C +ATOM 14 C VAL 2 -27.695 41.709 68.848 0.00 0.00 0.241 C +ATOM 15 O VAL 2 -27.508 42.843 68.378 0.00 0.00 -0.271 OA +ATOM 16 CB VAL 2 -29.539 42.012 70.547 0.00 0.00 0.009 C +ATOM 17 CG1 VAL 2 -30.527 41.270 69.644 0.00 0.00 0.012 C +ATOM 18 CG2 VAL 2 -29.927 41.869 72.019 0.00 0.00 0.012 C +ATOM 19 N LEU 3 -27.504 40.592 68.159 0.00 0.00 -0.346 N +ATOM 20 HN LEU 3 -27.655 39.691 68.612 1.00 0.00 0.163 HD +ATOM 21 CA LEU 3 -27.085 40.631 66.776 0.00 0.00 0.177 C +ATOM 22 C LEU 3 -28.257 40.349 65.838 0.00 0.00 0.241 C +ATOM 23 O LEU 3 -29.180 39.623 66.204 0.00 0.00 -0.271 OA +ATOM 24 CB LEU 3 -25.938 39.624 66.571 0.00 0.00 0.038 C +ATOM 25 CG LEU 3 -24.811 39.672 67.605 0.00 0.00 -0.020 C +ATOM 26 CD1 LEU 3 -23.918 38.434 67.499 0.00 0.00 0.009 C +ATOM 27 CD2 LEU 3 -24.009 40.969 67.483 0.00 0.00 0.009 C +ATOM 28 N GLN 4 -28.208 40.926 64.635 0.00 0.00 -0.346 N +ATOM 29 HN GLN 4 -27.401 41.507 64.408 1.00 0.00 0.163 HD +ATOM 30 CA GLN 4 -29.258 40.765 63.625 0.00 0.00 0.177 C +ATOM 31 C GLN 4 -29.280 39.412 62.913 0.00 0.00 0.241 C +ATOM 32 O GLN 4 -28.348 39.041 62.201 0.00 0.00 -0.271 OA +ATOM 33 CB GLN 4 -29.162 41.881 62.568 0.00 0.00 0.044 C +ATOM 34 CG GLN 4 -30.197 41.677 61.460 0.00 0.00 0.105 C +ATOM 35 CD GLN 4 -29.815 42.462 60.203 0.00 0.00 0.215 C +ATOM 36 OE1 GLN 4 -29.135 43.474 60.254 0.00 0.00 -0.274 OA +ATOM 37 NE2 GLN 4 -30.289 41.940 59.075 0.00 0.00 -0.370 N +ATOM 38 1HE2 GLN 4 -30.857 41.094 59.032 1.00 0.00 0.159 HD +ATOM 39 2HE2 GLN 4 -30.034 42.463 58.237 1.00 0.00 0.159 HD +ATOM 40 N VAL 5 -30.392 38.710 63.065 0.00 0.00 -0.346 N +ATOM 41 HN VAL 5 -31.145 39.096 63.634 1.00 0.00 0.163 HD +ATOM 42 CA VAL 5 -30.574 37.408 62.447 0.00 0.00 0.180 C +ATOM 43 C VAL 5 -30.984 37.608 60.992 0.00 0.00 0.241 C +ATOM 44 O VAL 5 -31.885 38.399 60.691 0.00 0.00 -0.271 OA +ATOM 45 CB VAL 5 -31.635 36.605 63.223 0.00 0.00 0.009 C +ATOM 46 CG1 VAL 5 -31.823 35.214 62.614 0.00 0.00 0.012 C +ATOM 47 CG2 VAL 5 -31.274 36.511 64.707 0.00 0.00 0.012 C +ATOM 48 N LEU 6 -30.280 36.934 60.089 0.00 0.00 -0.346 N +ATOM 49 HN LEU 6 -29.521 36.330 60.406 1.00 0.00 0.163 HD +ATOM 50 CA LEU 6 -30.557 37.029 58.651 0.00 0.00 0.177 C +ATOM 51 C LEU 6 -31.753 36.153 58.304 0.00 0.00 0.241 C +ATOM 52 O LEU 6 -31.943 35.094 58.897 0.00 0.00 -0.271 OA +ATOM 53 CB LEU 6 -29.330 36.589 57.831 0.00 0.00 0.038 C +ATOM 54 CG LEU 6 -28.010 37.281 58.174 0.00 0.00 -0.020 C +ATOM 55 CD1 LEU 6 -26.825 36.543 57.549 0.00 0.00 0.009 C +ATOM 56 CD2 LEU 6 -28.043 38.757 57.771 0.00 0.00 0.009 C +ATOM 57 N HIS 7 -32.563 36.594 57.352 0.00 0.00 -0.346 N +ATOM 58 HN HIS 7 -32.360 37.480 56.889 1.00 0.00 0.163 HD +ATOM 59 CA HIS 7 -33.742 35.830 56.956 0.00 0.00 0.182 C +ATOM 60 C HIS 7 -33.720 35.554 55.461 0.00 0.00 0.241 C +ATOM 61 O HIS 7 -33.075 36.282 54.693 0.00 0.00 -0.271 OA +ATOM 62 CB HIS 7 -35.031 36.607 57.283 0.00 0.00 0.093 C +ATOM 63 CG HIS 7 -35.126 37.063 58.719 0.00 0.00 0.028 A +ATOM 64 ND1 HIS 7 -35.950 38.098 59.125 0.00 0.00 -0.354 N +ATOM 65 HD1 HIS 7 -36.561 38.646 58.520 1.00 0.00 0.166 HD +ATOM 66 CD2 HIS 7 -34.493 36.613 59.841 0.00 0.00 0.114 A +ATOM 67 CE1 HIS 7 -35.811 38.256 60.433 0.00 0.00 0.180 A +ATOM 68 NE2 HIS 7 -34.906 37.335 60.874 0.00 0.00 -0.360 N +ATOM 69 HE2 HIS 7 -34.598 37.221 61.840 1.00 0.00 0.166 HD +ATOM 70 N ILE 8 -34.416 34.502 55.043 0.00 0.00 -0.346 N +ATOM 71 HN ILE 8 -34.902 33.912 55.718 1.00 0.00 0.163 HD +ATOM 72 CA ILE 8 -34.486 34.190 53.623 0.00 0.00 0.180 C +ATOM 73 C ILE 8 -35.065 35.425 52.913 0.00 0.00 0.243 C +ATOM 74 O ILE 8 -35.855 36.169 53.508 0.00 0.00 -0.271 OA +ATOM 75 CB ILE 8 -35.333 32.933 53.350 0.00 0.00 0.013 C +ATOM 76 CG1 ILE 8 -36.801 33.173 53.710 0.00 0.00 0.002 C +ATOM 77 CG2 ILE 8 -34.756 31.715 54.075 0.00 0.00 0.012 C +ATOM 78 CD1 ILE 8 -37.688 32.049 53.170 0.00 0.00 0.005 C +ATOM 79 N PRO 9 -34.646 35.685 51.661 0.00 0.00 -0.337 N +ATOM 80 CA PRO 9 -33.714 34.907 50.848 0.00 0.00 0.179 C +ATOM 81 C PRO 9 -32.258 35.444 50.895 0.00 0.00 0.241 C +ATOM 82 O PRO 9 -31.530 35.354 49.904 0.00 0.00 -0.271 OA +ATOM 83 CB PRO 9 -33.966 35.181 49.462 0.00 0.00 0.037 C +ATOM 84 CG PRO 9 -34.712 36.506 49.458 0.00 0.00 0.022 C +ATOM 85 CD PRO 9 -35.190 36.775 50.875 0.00 0.00 0.127 C +ATOM 86 N ASP 10 -31.857 35.994 52.042 0.00 0.00 -0.346 N +ATOM 87 HN ASP 10 -32.519 36.043 52.817 1.00 0.00 0.163 HD +ATOM 88 CA ASP 10 -30.508 36.531 52.239 0.00 0.00 0.186 C +ATOM 89 C ASP 10 -29.472 35.483 51.851 0.00 0.00 0.241 C +ATOM 90 O ASP 10 -29.290 34.486 52.566 0.00 0.00 -0.271 OA +ATOM 91 CB ASP 10 -30.307 36.923 53.715 0.00 0.00 0.147 C +ATOM 92 CG ASP 10 -29.041 37.732 54.002 0.00 0.00 0.175 C +ATOM 93 OD1 ASP 10 -29.045 38.649 54.837 0.00 0.00 -0.648 OA +ATOM 94 OD2 ASP 10 -28.004 37.384 53.318 0.00 0.00 -0.648 OA +ATOM 95 N GLU 11 -28.739 35.763 50.769 0.00 0.00 -0.346 N +ATOM 96 HN GLU 11 -28.894 36.647 50.284 1.00 0.00 0.163 HD +ATOM 97 CA GLU 11 -27.720 34.843 50.256 0.00 0.00 0.177 C +ATOM 98 C GLU 11 -26.624 34.528 51.261 0.00 0.00 0.241 C +ATOM 99 O GLU 11 -26.019 33.472 51.179 0.00 0.00 -0.271 OA +ATOM 100 CB GLU 11 -27.139 35.316 48.910 0.00 0.00 0.045 C +ATOM 101 CG GLU 11 -28.177 35.195 47.793 0.00 0.00 0.116 C +ATOM 102 CD GLU 11 -27.563 35.542 46.435 0.00 0.00 0.172 C +ATOM 103 OE1 GLU 11 -26.456 36.096 46.378 0.00 0.00 -0.648 OA +ATOM 104 OE2 GLU 11 -28.279 35.215 45.413 0.00 0.00 -0.648 OA +ATOM 105 N ARG 12 -26.426 35.392 52.252 0.00 0.00 -0.346 N +ATOM 106 HN ARG 12 -26.991 36.240 52.303 1.00 0.00 0.163 HD +ATOM 107 CA ARG 12 -25.404 35.138 53.272 0.00 0.00 0.176 C +ATOM 108 C ARG 12 -25.693 33.921 54.148 0.00 0.00 0.241 C +ATOM 109 O ARG 12 -24.784 33.395 54.808 0.00 0.00 -0.271 OA +ATOM 110 CB ARG 12 -25.170 36.368 54.169 0.00 0.00 0.036 C +ATOM 111 CG ARG 12 -24.369 37.441 53.430 0.00 0.00 0.023 C +ATOM 112 CD ARG 12 -24.289 38.729 54.252 0.00 0.00 0.138 C +ATOM 113 NE ARG 12 -25.649 39.253 54.507 0.00 0.00 -0.227 N +ATOM 114 HE ARG 12 -26.441 38.641 54.310 1.00 0.00 0.177 HD +ATOM 115 CZ ARG 12 -25.908 40.489 54.984 0.00 0.00 0.665 C +ATOM 116 NH1 ARG 12 -24.883 41.309 55.251 0.00 0.00 -0.235 N +ATOM 117 1HH1 ARG 12 -23.922 41.004 55.096 1.00 0.00 0.174 HD +ATOM 118 2HH1 ARG 12 -25.079 42.243 55.611 1.00 0.00 0.174 HD +ATOM 119 NH2 ARG 12 -27.170 40.889 55.188 0.00 0.00 -0.235 N +ATOM 120 1HH2 ARG 12 -27.951 40.265 54.985 1.00 0.00 0.174 HD +ATOM 121 2HH2 ARG 12 -27.366 41.823 55.548 1.00 0.00 0.174 HD +ATOM 122 N LEU 13 -26.957 33.495 54.182 0.00 0.00 -0.346 N +ATOM 123 HN LEU 13 -27.666 33.999 53.649 1.00 0.00 0.163 HD +ATOM 124 CA LEU 13 -27.353 32.322 54.966 0.00 0.00 0.177 C +ATOM 125 C LEU 13 -26.893 31.067 54.237 0.00 0.00 0.241 C +ATOM 126 O LEU 13 -26.939 29.963 54.777 0.00 0.00 -0.271 OA +ATOM 127 CB LEU 13 -28.882 32.269 55.144 0.00 0.00 0.038 C +ATOM 128 CG LEU 13 -29.476 33.264 56.143 0.00 0.00 -0.020 C +ATOM 129 CD1 LEU 13 -30.973 33.459 55.899 0.00 0.00 0.009 C +ATOM 130 CD2 LEU 13 -29.181 32.837 57.583 0.00 0.00 0.009 C +ATOM 131 N ARG 14 -26.475 31.231 52.994 0.00 0.00 -0.346 N +ATOM 132 HN ARG 14 -26.482 32.163 52.580 1.00 0.00 0.163 HD +ATOM 133 CA ARG 14 -26.003 30.097 52.205 0.00 0.00 0.176 C +ATOM 134 C ARG 14 -24.455 29.969 52.200 0.00 0.00 0.241 C +ATOM 135 O ARG 14 -23.887 29.124 51.496 0.00 0.00 -0.271 OA +ATOM 136 CB ARG 14 -26.564 30.215 50.776 0.00 0.00 0.036 C +ATOM 137 CG ARG 14 -28.031 30.650 50.797 0.00 0.00 0.023 C +ATOM 138 CD ARG 14 -28.958 29.466 50.516 0.00 0.00 0.138 C +ATOM 139 NE ARG 14 -28.875 28.485 51.621 0.00 0.00 -0.227 N +ATOM 140 HE ARG 14 -28.007 28.438 52.154 1.00 0.00 0.177 HD +ATOM 141 CZ ARG 14 -29.877 27.649 51.967 0.00 0.00 0.665 C +ATOM 142 NH1 ARG 14 -31.027 27.693 51.280 0.00 0.00 -0.235 N +ATOM 143 1HH1 ARG 14 -31.143 28.349 50.507 1.00 0.00 0.174 HD +ATOM 144 2HH1 ARG 14 -31.784 27.061 51.541 1.00 0.00 0.174 HD +ATOM 145 NH2 ARG 14 -29.724 26.788 52.982 0.00 0.00 -0.235 N +ATOM 146 1HH2 ARG 14 -28.849 26.755 53.505 1.00 0.00 0.174 HD +ATOM 147 2HH2 ARG 14 -30.481 26.156 53.243 1.00 0.00 0.174 HD +ATOM 148 N LYS 15 -23.803 30.754 53.054 0.00 0.00 -0.346 N +ATOM 149 HN LYS 15 -24.337 31.380 53.657 1.00 0.00 0.163 HD +ATOM 150 CA LYS 15 -22.352 30.747 53.154 0.00 0.00 0.176 C +ATOM 151 C LYS 15 -21.798 29.695 54.099 0.00 0.00 0.241 C +ATOM 152 O LYS 15 -22.258 29.578 55.239 0.00 0.00 -0.271 OA +ATOM 153 CB LYS 15 -21.861 32.149 53.560 0.00 0.00 0.035 C +ATOM 154 CG LYS 15 -22.056 33.150 52.420 0.00 0.00 0.004 C +ATOM 155 CD LYS 15 -21.521 34.531 52.806 0.00 0.00 0.027 C +ATOM 156 CE LYS 15 -20.049 34.455 53.215 0.00 0.00 0.229 C +ATOM 157 NZ LYS 15 -19.624 35.714 53.848 0.00 0.00 -0.079 N +ATOM 158 HZ1 LYS 15 -18.642 35.663 54.121 1.00 0.00 0.274 HD +ATOM 159 HZ2 LYS 15 -20.224 35.964 54.634 1.00 0.00 0.274 HD +ATOM 160 HZ3 LYS 15 -19.811 36.520 53.252 1.00 0.00 0.274 HD +ATOM 161 N VAL 16 -20.851 28.892 53.603 0.00 0.00 -0.346 N +ATOM 162 HN VAL 16 -20.557 29.023 52.635 1.00 0.00 0.163 HD +ATOM 163 CA VAL 16 -20.216 27.829 54.394 0.00 0.00 0.180 C +ATOM 164 C VAL 16 -19.156 28.427 55.310 0.00 0.00 0.241 C +ATOM 165 O VAL 16 -18.300 29.206 54.871 0.00 0.00 -0.271 OA +ATOM 166 CB VAL 16 -19.586 26.739 53.506 0.00 0.00 0.009 C +ATOM 167 CG1 VAL 16 -19.077 25.570 54.352 0.00 0.00 0.012 C +ATOM 168 CG2 VAL 16 -20.576 26.258 52.444 0.00 0.00 0.012 C +ATOM 169 N ALA 17 -19.241 28.075 56.590 0.00 0.00 -0.346 N +ATOM 170 HN ALA 17 -19.975 27.423 56.867 1.00 0.00 0.163 HD +ATOM 171 CA ALA 17 -18.333 28.577 57.618 0.00 0.00 0.172 C +ATOM 172 C ALA 17 -16.979 27.848 57.725 0.00 0.00 0.240 C +ATOM 173 O ALA 17 -16.875 26.636 57.523 0.00 0.00 -0.271 OA +ATOM 174 CB ALA 17 -19.051 28.577 58.980 0.00 0.00 0.042 C +ATOM 175 N LYS 18 -15.936 28.612 58.039 0.00 0.00 -0.346 N +ATOM 176 HN LYS 18 -16.075 29.612 58.186 1.00 0.00 0.163 HD +ATOM 177 CA LYS 18 -14.602 28.050 58.177 0.00 0.00 0.176 C +ATOM 178 C LYS 18 -14.355 27.744 59.643 0.00 0.00 0.243 C +ATOM 179 O LYS 18 -14.963 28.353 60.517 0.00 0.00 -0.271 OA +ATOM 180 CB LYS 18 -13.552 29.017 57.599 0.00 0.00 0.035 C +ATOM 181 CG LYS 18 -13.658 30.396 58.252 0.00 0.00 0.004 C +ATOM 182 CD LYS 18 -12.834 30.459 59.540 0.00 0.00 0.027 C +ATOM 183 CE LYS 18 -12.810 31.879 60.107 0.00 0.00 0.229 C +ATOM 184 NZ LYS 18 -12.057 31.917 61.371 0.00 0.00 -0.079 N +ATOM 185 HZ1 LYS 18 -12.041 32.864 61.749 1.00 0.00 0.274 HD +ATOM 186 HZ2 LYS 18 -11.117 31.536 61.264 1.00 0.00 0.274 HD +ATOM 187 HZ3 LYS 18 -12.418 31.245 62.048 1.00 0.00 0.274 HD +ATOM 188 N PRO 19 -13.493 26.763 59.937 0.00 0.00 -0.337 N +ATOM 189 CA PRO 19 -13.184 26.395 61.317 0.00 0.00 0.179 C +ATOM 190 C PRO 19 -12.671 27.583 62.124 0.00 0.00 0.241 C +ATOM 191 O PRO 19 -12.174 28.552 61.561 0.00 0.00 -0.271 OA +ATOM 192 CB PRO 19 -12.560 25.090 61.309 0.00 0.00 0.037 C +ATOM 193 CG PRO 19 -12.050 24.906 59.889 0.00 0.00 0.022 C +ATOM 194 CD PRO 19 -12.713 25.959 59.016 0.00 0.00 0.127 C +ATOM 195 N VAL 20 -12.833 27.512 63.443 0.00 0.00 -0.346 N +ATOM 196 HN VAL 20 -13.325 26.707 63.831 1.00 0.00 0.163 HD +ATOM 197 CA VAL 20 -12.338 28.535 64.359 0.00 0.00 0.180 C +ATOM 198 C VAL 20 -10.879 28.110 64.541 0.00 0.00 0.241 C +ATOM 199 O VAL 20 -10.606 26.917 64.732 0.00 0.00 -0.271 OA +ATOM 200 CB VAL 20 -13.061 28.465 65.717 0.00 0.00 0.009 C +ATOM 201 CG1 VAL 20 -12.251 29.169 66.807 0.00 0.00 0.012 C +ATOM 202 CG2 VAL 20 -14.471 29.051 65.617 0.00 0.00 0.012 C +ATOM 203 N GLU 21 -9.940 29.046 64.409 0.00 0.00 -0.346 N +ATOM 204 HN GLU 21 -10.205 30.009 64.201 1.00 0.00 0.163 HD +ATOM 205 CA GLU 21 -8.532 28.692 64.563 0.00 0.00 0.177 C +ATOM 206 C GLU 21 -8.175 28.274 65.967 0.00 0.00 0.241 C +ATOM 207 O GLU 21 -7.717 27.152 66.176 0.00 0.00 -0.271 OA +ATOM 208 CB GLU 21 -7.612 29.811 64.040 0.00 0.00 0.045 C +ATOM 209 CG GLU 21 -7.490 29.752 62.516 0.00 0.00 0.116 C +ATOM 210 CD GLU 21 -7.103 28.347 62.050 0.00 0.00 0.172 C +ATOM 211 OE1 GLU 21 -6.207 27.723 62.639 0.00 0.00 -0.648 OA +ATOM 212 OE2 GLU 21 -7.770 27.904 61.039 0.00 0.00 -0.648 OA +ATOM 213 N GLU 22 -8.407 29.156 66.927 0.00 0.00 -0.346 N +ATOM 214 HN GLU 22 -8.791 30.069 66.681 1.00 0.00 0.163 HD +ATOM 215 CA GLU 22 -8.129 28.857 68.323 0.00 0.00 0.177 C +ATOM 216 C GLU 22 -9.146 29.642 69.129 0.00 0.00 0.241 C +ATOM 217 O GLU 22 -9.444 30.788 68.798 0.00 0.00 -0.271 OA +ATOM 218 CB GLU 22 -6.700 29.271 68.721 0.00 0.00 0.045 C +ATOM 219 CG GLU 22 -5.666 28.312 68.127 0.00 0.00 0.116 C +ATOM 220 CD GLU 22 -5.861 26.893 68.666 0.00 0.00 0.172 C +ATOM 221 OE1 GLU 22 -6.218 25.983 67.903 0.00 0.00 -0.648 OA +ATOM 222 OE2 GLU 22 -5.626 26.752 69.926 0.00 0.00 -0.648 OA +ATOM 223 N VAL 23 -9.707 29.009 70.157 0.00 0.00 -0.346 N +ATOM 224 HN VAL 23 -9.428 28.049 70.358 1.00 0.00 0.163 HD +ATOM 225 CA VAL 23 -10.709 29.648 71.005 0.00 0.00 0.180 C +ATOM 226 C VAL 23 -10.077 30.718 71.889 0.00 0.00 0.241 C +ATOM 227 O VAL 23 -9.470 30.418 72.915 0.00 0.00 -0.271 OA +ATOM 228 CB VAL 23 -11.458 28.629 71.883 0.00 0.00 0.009 C +ATOM 229 CG1 VAL 23 -12.601 29.299 72.648 0.00 0.00 0.012 C +ATOM 230 CG2 VAL 23 -11.972 27.456 71.045 0.00 0.00 0.012 C +ATOM 231 N ASN 24 -10.246 31.968 71.485 0.00 0.00 -0.346 N +ATOM 232 HN ASN 24 -10.788 32.143 70.639 1.00 0.00 0.163 HD +ATOM 233 CA ASN 24 -9.686 33.098 72.206 0.00 0.00 0.185 C +ATOM 234 C ASN 24 -10.787 34.022 72.722 0.00 0.00 0.241 C +ATOM 235 O ASN 24 -11.975 33.741 72.546 0.00 0.00 -0.271 OA +ATOM 236 CB ASN 24 -8.721 33.860 71.278 0.00 0.00 0.137 C +ATOM 237 CG ASN 24 -9.398 34.209 69.951 0.00 0.00 0.217 C +ATOM 238 OD1 ASN 24 -10.510 34.709 69.905 0.00 0.00 -0.274 OA +ATOM 239 ND2 ASN 24 -8.667 33.919 68.879 0.00 0.00 -0.370 N +ATOM 240 1HD2 ASN 24 -9.118 34.152 67.994 1.00 0.00 0.159 HD +ATOM 241 2HD2 ASN 24 -7.737 33.501 68.917 1.00 0.00 0.159 HD +ATOM 242 N ALA 25 -10.384 35.137 73.327 0.00 0.00 -0.346 N +ATOM 243 HN ALA 25 -9.382 35.316 73.399 1.00 0.00 0.163 HD +ATOM 244 CA ALA 25 -11.309 36.116 73.892 0.00 0.00 0.172 C +ATOM 245 C ALA 25 -12.304 36.710 72.906 0.00 0.00 0.240 C +ATOM 246 O ALA 25 -13.375 37.171 73.313 0.00 0.00 -0.271 OA +ATOM 247 CB ALA 25 -10.525 37.248 74.581 0.00 0.00 0.042 C +ATOM 248 N GLU 26 -11.933 36.754 71.631 0.00 0.00 -0.346 N +ATOM 249 HN GLU 26 -11.009 36.410 71.369 1.00 0.00 0.163 HD +ATOM 250 CA GLU 26 -12.816 37.283 70.595 0.00 0.00 0.177 C +ATOM 251 C GLU 26 -13.887 36.229 70.264 0.00 0.00 0.241 C +ATOM 252 O GLU 26 -15.060 36.557 70.096 0.00 0.00 -0.271 OA +ATOM 253 CB GLU 26 -11.993 37.647 69.346 0.00 0.00 0.045 C +ATOM 254 CG GLU 26 -12.616 38.832 68.604 0.00 0.00 0.116 C +ATOM 255 CD GLU 26 -13.543 38.352 67.486 0.00 0.00 0.172 C +ATOM 256 OE1 GLU 26 -13.095 37.646 66.570 0.00 0.00 -0.648 OA +ATOM 257 OE2 GLU 26 -14.769 38.738 67.590 0.00 0.00 -0.648 OA +ATOM 258 N ILE 27 -13.474 34.962 70.211 0.00 0.00 -0.346 N +ATOM 259 HN ILE 27 -12.487 34.763 70.374 1.00 0.00 0.163 HD +ATOM 260 CA ILE 27 -14.378 33.843 69.929 0.00 0.00 0.180 C +ATOM 261 C ILE 27 -15.395 33.759 71.069 0.00 0.00 0.241 C +ATOM 262 O ILE 27 -16.601 33.641 70.845 0.00 0.00 -0.271 OA +ATOM 263 CB ILE 27 -13.602 32.517 69.821 0.00 0.00 0.013 C +ATOM 264 CG1 ILE 27 -12.597 32.563 68.668 0.00 0.00 0.002 C +ATOM 265 CG2 ILE 27 -14.560 31.330 69.700 0.00 0.00 0.012 C +ATOM 266 CD1 ILE 27 -13.279 32.977 67.362 0.00 0.00 0.005 C +ATOM 267 N GLN 28 -14.892 33.890 72.291 0.00 0.00 -0.346 N +ATOM 268 HN GLN 28 -13.887 34.025 72.398 1.00 0.00 0.163 HD +ATOM 269 CA GLN 28 -15.722 33.848 73.477 0.00 0.00 0.177 C +ATOM 270 C GLN 28 -16.700 35.022 73.536 0.00 0.00 0.241 C +ATOM 271 O GLN 28 -17.781 34.888 74.100 0.00 0.00 -0.271 OA +ATOM 272 CB GLN 28 -14.845 33.745 74.739 0.00 0.00 0.044 C +ATOM 273 CG GLN 28 -14.011 32.462 74.724 0.00 0.00 0.105 C +ATOM 274 CD GLN 28 -13.232 32.300 76.030 0.00 0.00 0.215 C +ATOM 275 OE1 GLN 28 -13.620 32.787 77.080 0.00 0.00 -0.274 OA +ATOM 276 NE2 GLN 28 -12.113 31.591 75.908 0.00 0.00 -0.370 N +ATOM 277 1HE2 GLN 28 -11.593 31.483 76.779 1.00 0.00 0.159 HD +ATOM 278 2HE2 GLN 28 -11.789 31.184 75.031 1.00 0.00 0.159 HD +ATOM 279 N ARG 29 -16.364 36.139 72.894 0.00 0.00 -0.346 N +ATOM 280 HN ARG 29 -15.467 36.190 72.412 1.00 0.00 0.163 HD +ATOM 281 CA ARG 29 -17.263 37.295 72.869 0.00 0.00 0.176 C +ATOM 282 C ARG 29 -18.379 37.041 71.847 0.00 0.00 0.241 C +ATOM 283 O ARG 29 -19.509 37.517 72.007 0.00 0.00 -0.271 OA +ATOM 284 CB ARG 29 -16.500 38.586 72.518 0.00 0.00 0.036 C +ATOM 285 CG ARG 29 -15.383 38.855 73.528 0.00 0.00 0.023 C +ATOM 286 CD ARG 29 -14.625 40.137 73.180 0.00 0.00 0.138 C +ATOM 287 NE ARG 29 -13.551 40.376 74.170 0.00 0.00 -0.227 N +ATOM 288 HE ARG 29 -13.441 39.702 74.928 1.00 0.00 0.177 HD +ATOM 289 CZ ARG 29 -12.708 41.429 74.133 0.00 0.00 0.665 C +ATOM 290 NH1 ARG 29 -12.834 42.328 73.147 0.00 0.00 -0.235 N +ATOM 291 1HH1 ARG 29 -13.556 42.218 72.435 1.00 0.00 0.174 HD +ATOM 292 2HH1 ARG 29 -12.197 43.124 73.119 1.00 0.00 0.174 HD +ATOM 293 NH2 ARG 29 -11.759 41.574 75.068 0.00 0.00 -0.235 N +ATOM 294 1HH2 ARG 29 -11.663 40.890 75.818 1.00 0.00 0.174 HD +ATOM 295 2HH2 ARG 29 -11.122 42.370 75.040 1.00 0.00 0.174 HD +ATOM 296 N ILE 30 -18.049 36.303 70.787 0.00 0.00 -0.346 N +ATOM 297 HN ILE 30 -17.091 35.964 70.697 1.00 0.00 0.163 HD +ATOM 298 CA ILE 30 -19.021 35.967 69.752 0.00 0.00 0.180 C +ATOM 299 C ILE 30 -20.023 34.977 70.359 0.00 0.00 0.241 C +ATOM 300 O ILE 30 -21.234 35.048 70.088 0.00 0.00 -0.271 OA +ATOM 301 CB ILE 30 -18.337 35.382 68.503 0.00 0.00 0.013 C +ATOM 302 CG1 ILE 30 -17.384 36.400 67.872 0.00 0.00 0.002 C +ATOM 303 CG2 ILE 30 -19.372 34.869 67.500 0.00 0.00 0.012 C +ATOM 304 CD1 ILE 30 -16.741 35.836 66.603 0.00 0.00 0.005 C +ATOM 305 N VAL 31 -19.529 34.110 71.239 0.00 0.00 -0.346 N +ATOM 306 HN VAL 31 -18.533 34.139 71.459 1.00 0.00 0.163 HD +ATOM 307 CA VAL 31 -20.371 33.122 71.896 0.00 0.00 0.180 C +ATOM 308 C VAL 31 -21.436 33.779 72.788 0.00 0.00 0.241 C +ATOM 309 O VAL 31 -22.590 33.340 72.823 0.00 0.00 -0.271 OA +ATOM 310 CB VAL 31 -19.511 32.079 72.634 0.00 0.00 0.009 C +ATOM 311 CG1 VAL 31 -20.337 31.331 73.683 0.00 0.00 0.012 C +ATOM 312 CG2 VAL 31 -18.866 31.104 71.647 0.00 0.00 0.012 C +ATOM 313 N ASP 32 -21.075 34.886 73.430 0.00 0.00 -0.345 N +ATOM 314 HN ASP 32 -20.124 35.236 73.318 1.00 0.00 0.163 HD +ATOM 315 CA ASP 32 -22.005 35.616 74.293 0.00 0.00 0.186 C +ATOM 316 C ASP 32 -23.082 36.367 73.516 0.00 0.00 0.241 C +ATOM 317 O ASP 32 -24.257 36.323 73.880 0.00 0.00 -0.271 OA +ATOM 318 CB ASP 32 -21.247 36.612 75.190 0.00 0.00 0.147 C +ATOM 319 CG ASP 32 -20.376 35.973 76.273 0.00 0.00 0.175 C +ATOM 320 OD1 ASP 32 -20.338 34.742 76.419 0.00 0.00 -0.648 OA +ATOM 321 OD2 ASP 32 -19.707 36.806 76.997 0.00 0.00 -0.648 OA +ATOM 322 N ASP 33 -22.676 37.102 72.487 0.00 0.00 -0.345 N +ATOM 323 HN ASP 33 -21.681 37.147 72.266 1.00 0.00 0.163 HD +ATOM 324 CA ASP 33 -23.626 37.846 71.666 0.00 0.00 0.186 C +ATOM 325 C ASP 33 -24.648 36.880 71.058 0.00 0.00 0.241 C +ATOM 326 O ASP 33 -25.841 37.196 70.933 0.00 0.00 -0.271 OA +ATOM 327 CB ASP 33 -22.877 38.574 70.534 0.00 0.00 0.147 C +ATOM 328 CG ASP 33 -21.910 39.666 70.997 0.00 0.00 0.175 C +ATOM 329 OD1 ASP 33 -21.638 39.811 72.198 0.00 0.00 -0.648 OA +ATOM 330 OD2 ASP 33 -21.421 40.397 70.053 0.00 0.00 -0.648 OA +ATOM 331 N MET 34 -24.146 35.709 70.666 0.00 0.00 -0.346 N +ATOM 332 HN MET 34 -23.147 35.545 70.787 1.00 0.00 0.163 HD +ATOM 333 CA MET 34 -24.955 34.653 70.074 0.00 0.00 0.177 C +ATOM 334 C MET 34 -25.992 34.140 71.075 0.00 0.00 0.241 C +ATOM 335 O MET 34 -27.160 34.008 70.735 0.00 0.00 -0.271 OA +ATOM 336 CB MET 34 -24.057 33.504 69.579 0.00 0.00 0.045 C +ATOM 337 CG MET 34 -23.537 33.784 68.167 0.00 0.00 0.076 C +ATOM 338 SD MET 34 -22.504 32.401 67.600 0.00 0.00 -0.173 SA +ATOM 339 CE MET 34 -23.765 31.101 67.459 0.00 0.00 0.089 C +ATOM 340 N PHE 35 -25.560 33.839 72.295 0.00 0.00 -0.346 N +ATOM 341 HN PHE 35 -24.566 33.932 72.503 1.00 0.00 0.163 HD +ATOM 342 CA PHE 35 -26.464 33.378 73.350 0.00 0.00 0.180 C +ATOM 343 C PHE 35 -27.525 34.445 73.657 0.00 0.00 0.241 C +ATOM 344 O PHE 35 -28.720 34.150 73.749 0.00 0.00 -0.271 OA +ATOM 345 CB PHE 35 -25.662 33.099 74.635 0.00 0.00 0.073 C +ATOM 346 CG PHE 35 -25.254 31.644 74.825 0.00 0.00 -0.056 A +ATOM 347 CD1 PHE 35 -23.917 31.313 75.147 0.00 0.00 0.007 A +ATOM 348 CD2 PHE 35 -26.211 30.614 74.673 0.00 0.00 0.007 A +ATOM 349 CE1 PHE 35 -23.542 29.963 75.317 0.00 0.00 0.001 A +ATOM 350 CE2 PHE 35 -25.835 29.265 74.844 0.00 0.00 0.001 A +ATOM 351 CZ PHE 35 -24.500 28.939 75.167 0.00 0.00 0.000 A +ATOM 352 N GLU 36 -27.062 35.688 73.778 0.00 0.00 -0.346 N +ATOM 353 HN GLU 36 -26.058 35.827 73.666 1.00 0.00 0.163 HD +ATOM 354 CA GLU 36 -27.874 36.866 74.057 0.00 0.00 0.177 C +ATOM 355 C GLU 36 -28.947 37.091 72.982 0.00 0.00 0.241 C +ATOM 356 O GLU 36 -30.068 37.528 73.272 0.00 0.00 -0.271 OA +ATOM 357 CB GLU 36 -26.914 38.068 74.129 0.00 0.00 0.045 C +ATOM 358 CG GLU 36 -27.676 39.361 74.428 0.00 0.00 0.116 C +ATOM 359 CD GLU 36 -26.711 40.512 74.720 0.00 0.00 0.172 C +ATOM 360 OE1 GLU 36 -25.496 40.289 74.825 0.00 0.00 -0.648 OA +ATOM 361 OE2 GLU 36 -27.264 41.671 74.837 0.00 0.00 -0.648 OA +ATOM 362 N THR 37 -28.578 36.825 71.734 0.00 0.00 -0.344 N +ATOM 363 HN THR 37 -27.622 36.514 71.560 1.00 0.00 0.163 HD +ATOM 364 CA THR 37 -29.487 36.960 70.604 0.00 0.00 0.205 C +ATOM 365 C THR 37 -30.464 35.767 70.616 0.00 0.00 0.243 C +ATOM 366 O THR 37 -31.647 35.920 70.318 0.00 0.00 -0.271 OA +ATOM 367 CB THR 37 -28.694 36.993 69.284 0.00 0.00 0.146 C +ATOM 368 OG1 THR 37 -27.807 38.097 69.439 0.00 0.00 -0.393 OA +ATOM 369 CG2 THR 37 -29.566 37.380 68.087 0.00 0.00 0.042 C +ATOM 370 HOG THR 37 -27.279 38.182 68.654 0.00 0.00 0.210 HD +ATOM 371 N MET 38 -29.957 34.593 70.989 0.00 0.00 -0.346 N +ATOM 372 HN MET 38 -28.968 34.548 71.234 1.00 0.00 0.163 HD +ATOM 373 CA MET 38 -30.749 33.364 71.065 0.00 0.00 0.177 C +ATOM 374 C MET 38 -31.869 33.506 72.100 0.00 0.00 0.241 C +ATOM 375 O MET 38 -33.039 33.210 71.826 0.00 0.00 -0.271 OA +ATOM 376 CB MET 38 -29.853 32.167 71.436 0.00 0.00 0.045 C +ATOM 377 CG MET 38 -30.663 30.871 71.485 0.00 0.00 0.076 C +ATOM 378 SD MET 38 -29.655 29.534 72.189 0.00 0.00 -0.173 SA +ATOM 379 CE MET 38 -30.081 29.708 73.947 0.00 0.00 0.089 C +ATOM 380 N TYR 39 -31.492 33.952 73.291 0.00 0.00 -0.346 N +ATOM 381 HN TYR 39 -30.506 34.159 73.454 1.00 0.00 0.163 HD +ATOM 382 CA TYR 39 -32.441 34.154 74.367 0.00 0.00 0.180 C +ATOM 383 C TYR 39 -33.429 35.280 74.019 0.00 0.00 0.241 C +ATOM 384 O TYR 39 -34.623 35.160 74.267 0.00 0.00 -0.271 OA +ATOM 385 CB TYR 39 -31.683 34.472 75.670 0.00 0.00 0.073 C +ATOM 386 CG TYR 39 -30.871 33.311 76.227 0.00 0.00 -0.056 A +ATOM 387 CD1 TYR 39 -29.607 33.540 76.817 0.00 0.00 0.010 A +ATOM 388 CD2 TYR 39 -31.377 31.993 76.150 0.00 0.00 0.010 A +ATOM 389 CE1 TYR 39 -28.856 32.461 77.329 0.00 0.00 0.037 A +ATOM 390 CE2 TYR 39 -30.627 30.913 76.662 0.00 0.00 0.037 A +ATOM 391 CZ TYR 39 -29.366 31.146 77.253 0.00 0.00 0.065 A +ATOM 392 OH TYR 39 -28.643 30.098 77.748 0.00 0.00 -0.361 OA +ATOM 393 HOH TYR 39 -27.827 30.427 78.107 0.00 0.00 0.217 HD +ATOM 394 N ALA 40 -32.941 36.336 73.380 0.00 0.00 -0.346 N +ATOM 395 HN ALA 40 -31.948 36.366 73.149 1.00 0.00 0.163 HD +ATOM 396 CA ALA 40 -33.796 37.453 73.002 0.00 0.00 0.172 C +ATOM 397 C ALA 40 -34.875 37.053 72.008 0.00 0.00 0.240 C +ATOM 398 O ALA 40 -36.012 37.534 72.084 0.00 0.00 -0.271 OA +ATOM 399 CB ALA 40 -32.956 38.598 72.406 0.00 0.00 0.042 C +ATOM 400 N GLU 41 -34.512 36.199 71.057 0.00 0.00 -0.346 N +ATOM 401 HN GLU 41 -33.558 35.839 71.047 1.00 0.00 0.163 HD +ATOM 402 CA GLU 41 -35.449 35.766 70.027 0.00 0.00 0.177 C +ATOM 403 C GLU 41 -36.228 34.525 70.410 0.00 0.00 0.241 C +ATOM 404 O GLU 41 -36.950 33.965 69.591 0.00 0.00 -0.271 OA +ATOM 405 CB GLU 41 -34.721 35.541 68.689 0.00 0.00 0.045 C +ATOM 406 CG GLU 41 -33.878 36.760 68.311 0.00 0.00 0.116 C +ATOM 407 CD GLU 41 -34.742 38.020 68.229 0.00 0.00 0.172 C +ATOM 408 OE1 GLU 41 -35.741 38.040 67.494 0.00 0.00 -0.648 OA +ATOM 409 OE2 GLU 41 -34.345 39.003 68.964 0.00 0.00 -0.648 OA +ATOM 410 N GLU 42 -36.089 34.104 71.658 0.00 0.00 -0.346 N +ATOM 411 HN GLU 42 -35.469 34.612 72.289 1.00 0.00 0.163 HD +ATOM 412 CA GLU 42 -36.801 32.932 72.151 0.00 0.00 0.177 C +ATOM 413 C GLU 42 -36.454 31.654 71.369 0.00 0.00 0.240 C +ATOM 414 O GLU 42 -37.308 30.801 71.120 0.00 0.00 -0.271 OA +ATOM 415 CB GLU 42 -38.319 33.193 72.155 0.00 0.00 0.045 C +ATOM 416 CG GLU 42 -38.676 34.336 73.107 0.00 0.00 0.116 C +ATOM 417 CD GLU 42 -40.157 34.705 72.989 0.00 0.00 0.172 C +ATOM 418 OE1 GLU 42 -41.022 33.819 73.044 0.00 0.00 -0.648 OA +ATOM 419 OE2 GLU 42 -40.395 35.963 72.837 0.00 0.00 -0.648 OA +ATOM 420 N GLY 43 -35.186 31.544 70.984 0.00 0.00 -0.351 N +ATOM 421 HN GLY 43 -34.531 32.298 71.193 1.00 0.00 0.163 HD +ATOM 422 CA GLY 43 -34.720 30.374 70.274 0.00 0.00 0.225 C +ATOM 423 C GLY 43 -34.045 29.437 71.257 0.00 0.00 0.236 C +ATOM 424 O GLY 43 -33.557 29.864 72.304 0.00 0.00 -0.272 OA +ATOM 425 N ILE 44 -34.028 28.153 70.936 0.00 0.00 -0.346 N +ATOM 426 HN ILE 44 -34.462 27.850 70.064 1.00 0.00 0.163 HD +ATOM 427 CA ILE 44 -33.403 27.164 71.802 0.00 0.00 0.180 C +ATOM 428 C ILE 44 -31.950 26.857 71.335 0.00 0.00 0.241 C +ATOM 429 O ILE 44 -31.142 26.261 72.070 0.00 0.00 -0.271 OA +ATOM 430 CB ILE 44 -34.326 25.936 71.912 0.00 0.00 0.013 C +ATOM 431 CG1 ILE 44 -34.949 25.842 73.307 0.00 0.00 0.002 C +ATOM 432 CG2 ILE 44 -33.582 24.655 71.529 0.00 0.00 0.012 C +ATOM 433 CD1 ILE 44 -35.799 27.077 73.612 0.00 0.00 0.005 C +ATOM 434 N GLY 45 -31.610 27.337 70.139 0.00 0.00 -0.351 N +ATOM 435 HN GLY 45 -32.296 27.857 69.591 1.00 0.00 0.163 HD +ATOM 436 CA GLY 45 -30.277 27.129 69.607 0.00 0.00 0.225 C +ATOM 437 C GLY 45 -29.934 28.234 68.628 0.00 0.00 0.236 C +ATOM 438 O GLY 45 -30.840 28.974 68.199 0.00 0.00 -0.272 OA +ATOM 439 N LEU 46 -28.643 28.350 68.279 0.00 0.00 -0.346 N +ATOM 440 HN LEU 46 -27.965 27.710 68.693 1.00 0.00 0.163 HD +ATOM 441 CA LEU 46 -28.167 29.361 67.326 0.00 0.00 0.177 C +ATOM 442 C LEU 46 -26.792 29.000 66.718 0.00 0.00 0.241 C +ATOM 443 O LEU 46 -25.935 28.425 67.387 0.00 0.00 -0.271 OA +ATOM 444 CB LEU 46 -28.095 30.742 68.004 0.00 0.00 0.038 C +ATOM 445 CG LEU 46 -28.070 31.950 67.064 0.00 0.00 -0.020 C +ATOM 446 CD1 LEU 46 -29.465 32.238 66.505 0.00 0.00 0.009 C +ATOM 447 CD2 LEU 46 -27.467 33.172 67.759 0.00 0.00 0.009 C +ATOM 448 N ALA 47 -26.636 29.284 65.426 0.00 0.00 -0.346 N +ATOM 449 HN ALA 47 -27.424 29.691 64.922 1.00 0.00 0.163 HD +ATOM 450 CA ALA 47 -25.396 29.043 64.692 0.00 0.00 0.172 C +ATOM 451 C ALA 47 -24.879 30.410 64.203 0.00 0.00 0.240 C +ATOM 452 O ALA 47 -25.667 31.248 63.739 0.00 0.00 -0.271 OA +ATOM 453 CB ALA 47 -25.654 28.096 63.505 0.00 0.00 0.042 C +ATOM 454 N ALA 48 -23.568 30.645 64.309 0.00 0.00 -0.346 N +ATOM 455 HN ALA 48 -22.964 29.910 64.678 1.00 0.00 0.163 HD +ATOM 456 CA ALA 48 -22.964 31.930 63.911 0.00 0.00 0.172 C +ATOM 457 C ALA 48 -23.393 32.471 62.554 0.00 0.00 0.240 C +ATOM 458 O ALA 48 -23.594 33.673 62.394 0.00 0.00 -0.271 OA +ATOM 459 CB ALA 48 -21.428 31.849 63.981 0.00 0.00 0.042 C +ATOM 460 N THR 49 -23.563 31.583 61.587 0.00 0.00 -0.344 N +ATOM 461 HN THR 49 -23.399 30.597 61.792 1.00 0.00 0.163 HD +ATOM 462 CA THR 49 -23.976 31.960 60.239 0.00 0.00 0.205 C +ATOM 463 C THR 49 -25.218 32.877 60.133 0.00 0.00 0.243 C +ATOM 464 O THR 49 -25.285 33.763 59.261 0.00 0.00 -0.271 OA +ATOM 465 CB THR 49 -24.243 30.687 59.415 0.00 0.00 0.146 C +ATOM 466 OG1 THR 49 -23.053 29.918 59.568 0.00 0.00 -0.393 OA +ATOM 467 CG2 THR 49 -24.315 30.966 57.912 0.00 0.00 0.042 C +ATOM 468 HOG THR 49 -23.144 29.107 59.082 0.00 0.00 0.210 HD +ATOM 469 N GLN 50 -26.193 32.654 61.016 0.00 0.00 -0.346 N +ATOM 470 HN GLN 50 -26.059 31.923 61.715 1.00 0.00 0.163 HD +ATOM 471 CA GLN 50 -27.454 33.416 61.026 0.00 0.00 0.177 C +ATOM 472 C GLN 50 -27.231 34.853 61.420 0.00 0.00 0.241 C +ATOM 473 O GLN 50 -28.061 35.716 61.158 0.00 0.00 -0.271 OA +ATOM 474 CB GLN 50 -28.429 32.802 62.048 0.00 0.00 0.044 C +ATOM 475 CG GLN 50 -28.602 31.301 61.808 0.00 0.00 0.105 C +ATOM 476 CD GLN 50 -29.636 30.708 62.767 0.00 0.00 0.215 C +ATOM 477 OE1 GLN 50 -29.328 29.909 63.636 0.00 0.00 -0.274 OA +ATOM 478 NE2 GLN 50 -30.876 31.143 62.562 0.00 0.00 -0.370 N +ATOM 479 1HE2 GLN 50 -31.134 31.811 61.835 1.00 0.00 0.159 HD +ATOM 480 2HE2 GLN 50 -31.565 30.748 63.201 1.00 0.00 0.159 HD +ATOM 481 N VAL 51 -26.126 35.083 62.115 0.00 0.00 -0.346 N +ATOM 482 HN VAL 51 -25.510 34.300 62.332 1.00 0.00 0.163 HD +ATOM 483 CA VAL 51 -25.761 36.409 62.578 0.00 0.00 0.180 C +ATOM 484 C VAL 51 -24.754 37.106 61.640 0.00 0.00 0.241 C +ATOM 485 O VAL 51 -24.409 38.268 61.840 0.00 0.00 -0.271 OA +ATOM 486 CB VAL 51 -25.267 36.297 64.032 0.00 0.00 0.009 C +ATOM 487 CG1 VAL 51 -24.294 37.429 64.369 0.00 0.00 0.012 C +ATOM 488 CG2 VAL 51 -26.443 36.276 65.011 0.00 0.00 0.012 C +ATOM 489 N ASP 52 -24.370 36.419 60.566 0.00 0.00 -0.345 N +ATOM 490 HN ASP 52 -24.754 35.485 60.424 1.00 0.00 0.163 HD +ATOM 491 CA ASP 52 -23.421 36.941 59.578 0.00 0.00 0.186 C +ATOM 492 C ASP 52 -21.968 36.743 60.041 0.00 0.00 0.241 C +ATOM 493 O ASP 52 -21.073 37.482 59.635 0.00 0.00 -0.271 OA +ATOM 494 CB ASP 52 -23.723 38.417 59.260 0.00 0.00 0.147 C +ATOM 495 CG ASP 52 -23.149 38.924 57.935 0.00 0.00 0.175 C +ATOM 496 OD1 ASP 52 -22.859 38.136 57.022 0.00 0.00 -0.648 OA +ATOM 497 OD2 ASP 52 -23.000 40.203 57.859 0.00 0.00 -0.648 OA +ATOM 498 N ILE 53 -21.752 35.747 60.899 0.00 0.00 -0.346 N +ATOM 499 HN ILE 53 -22.546 35.195 61.223 1.00 0.00 0.163 HD +ATOM 500 CA ILE 53 -20.413 35.417 61.393 0.00 0.00 0.180 C +ATOM 501 C ILE 53 -20.102 34.016 60.875 0.00 0.00 0.241 C +ATOM 502 O ILE 53 -20.590 33.008 61.398 0.00 0.00 -0.271 OA +ATOM 503 CB ILE 53 -20.316 35.482 62.929 0.00 0.00 0.013 C +ATOM 504 CG1 ILE 53 -20.385 36.929 63.422 0.00 0.00 0.002 C +ATOM 505 CG2 ILE 53 -19.062 34.764 63.430 0.00 0.00 0.012 C +ATOM 506 CD1 ILE 53 -20.416 36.986 64.950 0.00 0.00 0.005 C +ATOM 507 N HIS 54 -19.258 33.956 59.856 0.00 0.00 -0.346 N +ATOM 508 HN HIS 54 -18.824 34.812 59.511 1.00 0.00 0.163 HD +ATOM 509 CA HIS 54 -18.945 32.695 59.228 0.00 0.00 0.182 C +ATOM 510 C HIS 54 -17.816 31.819 59.774 0.00 0.00 0.241 C +ATOM 511 O HIS 54 -16.825 31.534 59.078 0.00 0.00 -0.271 OA +ATOM 512 CB HIS 54 -18.877 32.907 57.704 0.00 0.00 0.093 C +ATOM 513 CG HIS 54 -20.110 33.552 57.118 0.00 0.00 0.028 A +ATOM 514 ND1 HIS 54 -20.218 34.916 56.914 0.00 0.00 -0.354 N +ATOM 515 HD1 HIS 54 -19.502 35.610 57.130 1.00 0.00 0.166 HD +ATOM 516 CD2 HIS 54 -21.285 33.005 56.694 0.00 0.00 0.114 A +ATOM 517 CE1 HIS 54 -21.409 35.168 56.391 0.00 0.00 0.180 A +ATOM 518 NE2 HIS 54 -22.069 33.982 56.256 0.00 0.00 -0.360 N +ATOM 519 HE2 HIS 54 -23.010 33.865 55.880 1.00 0.00 0.166 HD +ATOM 520 N GLN 55 -18.043 31.315 60.988 0.00 0.00 -0.346 N +ATOM 521 HN GLN 55 -18.911 31.575 61.456 1.00 0.00 0.163 HD +ATOM 522 CA GLN 55 -17.130 30.414 61.693 0.00 0.00 0.177 C +ATOM 523 C GLN 55 -17.979 29.314 62.332 0.00 0.00 0.241 C +ATOM 524 O GLN 55 -19.146 29.538 62.632 0.00 0.00 -0.271 OA +ATOM 525 CB GLN 55 -16.341 31.155 62.788 0.00 0.00 0.044 C +ATOM 526 CG GLN 55 -15.387 32.183 62.177 0.00 0.00 0.105 C +ATOM 527 CD GLN 55 -14.393 32.697 63.220 0.00 0.00 0.215 C +ATOM 528 OE1 GLN 55 -14.452 33.831 63.666 0.00 0.00 -0.274 OA +ATOM 529 NE2 GLN 55 -13.478 31.802 63.582 0.00 0.00 -0.370 N +ATOM 530 1HE2 GLN 55 -13.429 30.854 63.209 1.00 0.00 0.159 HD +ATOM 531 2HE2 GLN 55 -12.815 32.145 64.277 1.00 0.00 0.159 HD +ATOM 532 N ARG 56 -17.395 28.140 62.560 0.00 0.00 -0.346 N +ATOM 533 HN ARG 56 -16.407 28.025 62.332 1.00 0.00 0.163 HD +ATOM 534 CA ARG 56 -18.128 27.013 63.127 0.00 0.00 0.176 C +ATOM 535 C ARG 56 -18.429 27.085 64.600 0.00 0.00 0.241 C +ATOM 536 O ARG 56 -17.891 26.309 65.395 0.00 0.00 -0.271 OA +ATOM 537 CB ARG 56 -17.407 25.683 62.841 0.00 0.00 0.036 C +ATOM 538 CG ARG 56 -17.107 25.531 61.349 0.00 0.00 0.023 C +ATOM 539 CD ARG 56 -16.628 24.114 61.027 0.00 0.00 0.138 C +ATOM 540 NE ARG 56 -17.587 23.451 60.115 0.00 0.00 -0.227 N +ATOM 541 HE ARG 56 -17.715 23.849 59.184 1.00 0.00 0.177 HD +ATOM 542 CZ ARG 56 -18.303 22.353 60.438 0.00 0.00 0.665 C +ATOM 543 NH1 ARG 56 -18.152 21.813 61.655 0.00 0.00 -0.235 N +ATOM 544 1HH1 ARG 56 -17.506 22.226 62.328 1.00 0.00 0.174 HD +ATOM 545 2HH1 ARG 56 -18.693 20.983 61.899 1.00 0.00 0.174 HD +ATOM 546 NH2 ARG 56 -19.152 21.811 59.554 0.00 0.00 -0.235 N +ATOM 547 1HH2 ARG 56 -19.267 22.222 58.628 1.00 0.00 0.174 HD +ATOM 548 2HH2 ARG 56 -19.693 20.981 59.798 1.00 0.00 0.174 HD +ATOM 549 N ILE 57 -19.322 27.996 64.959 0.00 0.00 -0.346 N +ATOM 550 HN ILE 57 -19.737 28.597 64.247 1.00 0.00 0.163 HD +ATOM 551 CA ILE 57 -19.720 28.156 66.343 0.00 0.00 0.180 C +ATOM 552 C ILE 57 -21.233 27.945 66.444 0.00 0.00 0.241 C +ATOM 553 O ILE 57 -22.004 28.459 65.622 0.00 0.00 -0.271 OA +ATOM 554 CB ILE 57 -19.384 29.559 66.883 0.00 0.00 0.013 C +ATOM 555 CG1 ILE 57 -17.924 29.919 66.602 0.00 0.00 0.002 C +ATOM 556 CG2 ILE 57 -19.727 29.671 68.369 0.00 0.00 0.012 C +ATOM 557 CD1 ILE 57 -17.693 31.425 66.748 0.00 0.00 0.005 C +ATOM 558 N ILE 58 -21.638 27.185 67.455 0.00 0.00 -0.346 N +ATOM 559 HN ILE 58 -20.934 26.786 68.076 1.00 0.00 0.163 HD +ATOM 560 CA ILE 58 -23.050 26.893 67.720 0.00 0.00 0.180 C +ATOM 561 C ILE 58 -23.299 26.953 69.226 0.00 0.00 0.241 C +ATOM 562 O ILE 58 -22.511 26.426 70.010 0.00 0.00 -0.271 OA +ATOM 563 CB ILE 58 -23.411 25.467 67.265 0.00 0.00 0.013 C +ATOM 564 CG1 ILE 58 -23.482 25.380 65.739 0.00 0.00 0.002 C +ATOM 565 CG2 ILE 58 -24.706 24.991 67.927 0.00 0.00 0.012 C +ATOM 566 CD1 ILE 58 -23.338 23.933 65.264 0.00 0.00 0.005 C +ATOM 567 N VAL 59 -24.371 27.632 69.623 0.00 0.00 -0.346 N +ATOM 568 HN VAL 59 -24.935 28.118 68.925 1.00 0.00 0.163 HD +ATOM 569 CA VAL 59 -24.768 27.704 71.034 0.00 0.00 0.180 C +ATOM 570 C VAL 59 -26.176 27.072 71.120 0.00 0.00 0.241 C +ATOM 571 O VAL 59 -26.996 27.230 70.215 0.00 0.00 -0.271 OA +ATOM 572 CB VAL 59 -24.738 29.142 71.585 0.00 0.00 0.009 C +ATOM 573 CG1 VAL 59 -23.345 29.757 71.437 0.00 0.00 0.012 C +ATOM 574 CG2 VAL 59 -25.797 30.012 70.905 0.00 0.00 0.012 C +ATOM 575 N ILE 60 -26.409 26.306 72.172 0.00 0.00 -0.346 N +ATOM 576 HN ILE 60 -25.672 26.201 72.870 1.00 0.00 0.163 HD +ATOM 577 CA ILE 60 -27.667 25.605 72.382 0.00 0.00 0.180 C +ATOM 578 C ILE 60 -28.020 25.650 73.870 0.00 0.00 0.241 C +ATOM 579 O ILE 60 -27.162 25.404 74.724 0.00 0.00 -0.271 OA +ATOM 580 CB ILE 60 -27.523 24.119 72.006 0.00 0.00 0.013 C +ATOM 581 CG1 ILE 60 -27.531 23.935 70.487 0.00 0.00 0.002 C +ATOM 582 CG2 ILE 60 -28.596 23.272 72.692 0.00 0.00 0.012 C +ATOM 583 CD1 ILE 60 -27.204 22.489 70.108 0.00 0.00 0.005 C +ATOM 584 N ASP 61 -29.275 25.976 74.179 0.00 0.00 -0.345 N +ATOM 585 HN ASP 61 -29.918 26.235 73.431 1.00 0.00 0.163 HD +ATOM 586 CA ASP 61 -29.754 25.972 75.558 0.00 0.00 0.186 C +ATOM 587 C ASP 61 -31.226 25.582 75.548 0.00 0.00 0.241 C +ATOM 588 O ASP 61 -32.097 26.333 75.078 0.00 0.00 -0.271 OA +ATOM 589 CB ASP 61 -29.566 27.317 76.284 0.00 0.00 0.147 C +ATOM 590 CG ASP 61 -29.884 27.294 77.780 0.00 0.00 0.175 C +ATOM 591 OD1 ASP 61 -30.090 26.224 78.373 0.00 0.00 -0.648 OA +ATOM 592 OD2 ASP 61 -29.918 28.452 78.349 0.00 0.00 -0.648 OA +ATOM 593 N VAL 62 -31.471 24.399 76.097 0.00 0.00 -0.346 N +ATOM 594 HN VAL 62 -30.689 23.886 76.503 1.00 0.00 0.163 HD +ATOM 595 CA VAL 62 -32.789 23.795 76.152 0.00 0.00 0.180 C +ATOM 596 C VAL 62 -33.504 23.907 77.512 0.00 0.00 0.241 C +ATOM 597 O VAL 62 -34.710 23.684 77.605 0.00 0.00 -0.271 OA +ATOM 598 CB VAL 62 -32.664 22.319 75.732 0.00 0.00 0.009 C +ATOM 599 CG1 VAL 62 -34.043 21.689 75.525 0.00 0.00 0.012 C +ATOM 600 CG2 VAL 62 -31.803 22.178 74.475 0.00 0.00 0.012 C +ATOM 601 N SER 63 -32.767 24.294 78.548 0.00 0.00 -0.344 N +ATOM 602 HN SER 63 -31.782 24.512 78.399 1.00 0.00 0.163 HD +ATOM 603 CA SER 63 -33.322 24.418 79.895 0.00 0.00 0.200 C +ATOM 604 C SER 63 -34.392 25.503 80.034 0.00 0.00 0.243 C +ATOM 605 O SER 63 -34.217 26.612 79.554 0.00 0.00 -0.271 OA +ATOM 606 CB SER 63 -32.190 24.693 80.903 0.00 0.00 0.199 C +ATOM 607 OG SER 63 -31.607 25.979 80.712 0.00 0.00 -0.398 OA +ATOM 608 HOG SER 63 -30.917 26.104 81.353 0.00 0.00 0.209 HD +ATOM 609 N GLU 64 -35.471 25.182 80.739 0.00 0.00 -0.346 N +ATOM 610 HN GLU 64 -35.533 24.242 81.130 1.00 0.00 0.163 HD +ATOM 611 CA GLU 64 -36.576 26.113 80.983 0.00 0.00 0.177 C +ATOM 612 C GLU 64 -36.076 27.378 81.672 0.00 0.00 0.241 C +ATOM 613 O GLU 64 -36.529 28.498 81.416 0.00 0.00 -0.271 OA +ATOM 614 CB GLU 64 -37.602 25.437 81.911 0.00 0.00 0.045 C +ATOM 615 CG GLU 64 -38.481 26.478 82.608 0.00 0.00 0.116 C +ATOM 616 CD GLU 64 -39.277 25.846 83.751 0.00 0.00 0.172 C +ATOM 617 OE1 GLU 64 -38.741 25.008 84.492 0.00 0.00 -0.648 OA +ATOM 618 OE2 GLU 64 -40.496 26.255 83.858 0.00 0.00 -0.648 OA +ATOM 619 N ASN 65 -35.151 27.150 82.584 0.00 0.00 -0.346 N +ATOM 620 HN ASN 65 -34.840 26.188 82.721 1.00 0.00 0.163 HD +ATOM 621 CA ASN 65 -34.551 28.182 83.402 0.00 0.00 0.185 C +ATOM 622 C ASN 65 -33.387 28.946 82.752 0.00 0.00 0.241 C +ATOM 623 O ASN 65 -32.827 29.858 83.368 0.00 0.00 -0.271 OA +ATOM 624 CB ASN 65 -34.115 27.534 84.729 0.00 0.00 0.137 C +ATOM 625 CG ASN 65 -33.869 26.034 84.552 0.00 0.00 0.217 C +ATOM 626 OD1 ASN 65 -34.670 25.198 84.937 0.00 0.00 -0.274 OA +ATOM 627 ND2 ASN 65 -32.720 25.742 83.951 0.00 0.00 -0.370 N +ATOM 628 1HD2 ASN 65 -32.556 24.742 83.833 1.00 0.00 0.159 HD +ATOM 629 2HD2 ASN 65 -32.050 26.441 83.629 1.00 0.00 0.159 HD +ATOM 630 N ARG 66 -33.074 28.619 81.496 0.00 0.00 -0.346 N +ATOM 631 HN ARG 66 -33.628 27.902 81.027 1.00 0.00 0.163 HD +ATOM 632 CA ARG 66 -31.967 29.244 80.757 0.00 0.00 0.176 C +ATOM 633 C ARG 66 -30.624 29.179 81.507 0.00 0.00 0.241 C +ATOM 634 O ARG 66 -29.906 30.168 81.588 0.00 0.00 -0.271 OA +ATOM 635 CB ARG 66 -32.285 30.708 80.399 0.00 0.00 0.036 C +ATOM 636 CG ARG 66 -33.422 30.788 79.378 0.00 0.00 0.023 C +ATOM 637 CD ARG 66 -33.649 32.231 78.923 0.00 0.00 0.138 C +ATOM 638 NE ARG 66 -34.921 32.331 78.174 0.00 0.00 -0.227 N +ATOM 639 HE ARG 66 -35.371 31.465 77.877 1.00 0.00 0.177 HD +ATOM 640 CZ ARG 66 -35.524 33.498 77.859 0.00 0.00 0.665 C +ATOM 641 NH1 ARG 66 -34.952 34.648 78.238 0.00 0.00 -0.235 N +ATOM 642 1HH1 ARG 66 -34.074 34.643 78.757 1.00 0.00 0.174 HD +ATOM 643 2HH1 ARG 66 -35.407 35.529 78.000 1.00 0.00 0.174 HD +ATOM 644 NH2 ARG 66 -36.677 33.504 77.177 0.00 0.00 -0.235 N +ATOM 645 1HH2 ARG 66 -37.113 32.628 76.888 1.00 0.00 0.174 HD +ATOM 646 2HH2 ARG 66 -37.132 34.385 76.939 1.00 0.00 0.174 HD +ATOM 647 N ASP 67 -30.270 28.006 82.023 0.00 0.00 -0.346 N +ATOM 648 HN ASP 67 -30.883 27.200 81.902 1.00 0.00 0.163 HD +ATOM 649 CA ASP 67 -29.017 27.852 82.762 0.00 0.00 0.186 C +ATOM 650 C ASP 67 -28.300 26.528 82.530 0.00 0.00 0.241 C +ATOM 651 O ASP 67 -27.741 25.936 83.457 0.00 0.00 -0.271 OA +ATOM 652 CB ASP 67 -29.240 28.061 84.271 0.00 0.00 0.147 C +ATOM 653 CG ASP 67 -30.355 27.211 84.884 0.00 0.00 0.175 C +ATOM 654 OD1 ASP 67 -30.300 25.972 84.860 0.00 0.00 -0.648 OA +ATOM 655 OD2 ASP 67 -31.324 27.880 85.410 0.00 0.00 -0.648 OA +ATOM 656 N GLU 68 -28.350 26.052 81.294 0.00 0.00 -0.346 N +ATOM 657 HN GLU 68 -28.868 26.575 80.587 1.00 0.00 0.163 HD +ATOM 658 CA GLU 68 -27.694 24.812 80.907 0.00 0.00 0.177 C +ATOM 659 C GLU 68 -27.190 25.084 79.499 0.00 0.00 0.241 C +ATOM 660 O GLU 68 -27.811 24.686 78.512 0.00 0.00 -0.271 OA +ATOM 661 CB GLU 68 -28.690 23.638 80.924 0.00 0.00 0.045 C +ATOM 662 CG GLU 68 -29.195 23.368 82.343 0.00 0.00 0.116 C +ATOM 663 CD GLU 68 -30.185 22.201 82.360 0.00 0.00 0.172 C +ATOM 664 OE1 GLU 68 -30.473 21.617 81.305 0.00 0.00 -0.648 OA +ATOM 665 OE2 GLU 68 -30.660 21.906 83.522 0.00 0.00 -0.648 OA +ATOM 666 N ARG 69 -26.115 25.864 79.426 0.00 0.00 -0.346 N +ATOM 667 HN ARG 69 -25.702 26.206 80.294 1.00 0.00 0.163 HD +ATOM 668 CA ARG 69 -25.500 26.252 78.163 0.00 0.00 0.176 C +ATOM 669 C ARG 69 -24.633 25.149 77.536 0.00 0.00 0.241 C +ATOM 670 O ARG 69 -23.955 24.388 78.233 0.00 0.00 -0.271 OA +ATOM 671 CB ARG 69 -24.692 27.548 78.361 0.00 0.00 0.036 C +ATOM 672 CG ARG 69 -25.610 28.715 78.730 0.00 0.00 0.023 C +ATOM 673 CD ARG 69 -24.806 30.002 78.931 0.00 0.00 0.138 C +ATOM 674 NE ARG 69 -25.632 31.176 78.572 0.00 0.00 -0.227 N +ATOM 675 HE ARG 69 -26.646 31.082 78.627 1.00 0.00 0.177 HD +ATOM 676 CZ ARG 69 -25.128 32.364 78.176 0.00 0.00 0.665 C +ATOM 677 NH1 ARG 69 -23.798 32.510 78.095 0.00 0.00 -0.235 N +ATOM 678 1HH1 ARG 69 -23.177 31.736 78.330 1.00 0.00 0.174 HD +ATOM 679 2HH1 ARG 69 -23.417 33.408 77.796 1.00 0.00 0.174 HD +ATOM 680 NH2 ARG 69 -25.944 33.381 77.867 0.00 0.00 -0.235 N +ATOM 681 1HH2 ARG 69 -26.956 33.270 77.929 1.00 0.00 0.174 HD +ATOM 682 2HH2 ARG 69 -25.563 34.279 77.568 1.00 0.00 0.174 HD +ATOM 683 N LEU 70 -24.734 25.022 76.219 0.00 0.00 -0.346 N +ATOM 684 HN LEU 70 -25.371 25.639 75.715 1.00 0.00 0.163 HD +ATOM 685 CA LEU 70 -23.970 24.035 75.462 0.00 0.00 0.177 C +ATOM 686 C LEU 70 -23.327 24.803 74.315 0.00 0.00 0.241 C +ATOM 687 O LEU 70 -24.016 25.513 73.571 0.00 0.00 -0.271 OA +ATOM 688 CB LEU 70 -24.898 22.938 74.906 0.00 0.00 0.038 C +ATOM 689 CG LEU 70 -24.216 21.820 74.115 0.00 0.00 -0.020 C +ATOM 690 CD1 LEU 70 -23.362 20.943 75.033 0.00 0.00 0.009 C +ATOM 691 CD2 LEU 70 -25.241 21.001 73.330 0.00 0.00 0.009 C +ATOM 692 N VAL 71 -22.002 24.709 74.226 0.00 0.00 -0.346 N +ATOM 693 HN VAL 71 -21.504 24.143 74.912 1.00 0.00 0.163 HD +ATOM 694 CA VAL 71 -21.234 25.386 73.183 0.00 0.00 0.180 C +ATOM 695 C VAL 71 -20.555 24.345 72.289 0.00 0.00 0.241 C +ATOM 696 O VAL 71 -19.862 23.448 72.778 0.00 0.00 -0.271 OA +ATOM 697 CB VAL 71 -20.175 26.324 73.791 0.00 0.00 0.009 C +ATOM 698 CG1 VAL 71 -19.304 26.949 72.699 0.00 0.00 0.012 C +ATOM 699 CG2 VAL 71 -20.830 27.404 74.655 0.00 0.00 0.012 C +ATOM 700 N LEU 72 -20.797 24.443 70.988 0.00 0.00 -0.346 N +ATOM 701 HN LEU 72 -21.407 25.189 70.653 1.00 0.00 0.163 HD +ATOM 702 CA LEU 72 -20.219 23.519 70.024 0.00 0.00 0.177 C +ATOM 703 C LEU 72 -19.393 24.288 69.002 0.00 0.00 0.241 C +ATOM 704 O LEU 72 -19.945 24.942 68.097 0.00 0.00 -0.271 OA +ATOM 705 CB LEU 72 -21.305 22.727 69.272 0.00 0.00 0.038 C +ATOM 706 CG LEU 72 -22.192 21.824 70.131 0.00 0.00 -0.020 C +ATOM 707 CD1 LEU 72 -23.054 20.911 69.257 0.00 0.00 0.009 C +ATOM 708 CD2 LEU 72 -21.357 21.032 71.138 0.00 0.00 0.009 C +ATOM 709 N ILE 73 -18.074 24.239 69.191 0.00 0.00 -0.346 N +ATOM 710 HN ILE 73 -17.718 23.724 69.996 1.00 0.00 0.163 HD +ATOM 711 CA ILE 73 -17.115 24.887 68.301 0.00 0.00 0.180 C +ATOM 712 C ILE 73 -16.440 23.758 67.523 0.00 0.00 0.241 C +ATOM 713 O ILE 73 -16.048 22.734 68.085 0.00 0.00 -0.271 OA +ATOM 714 CB ILE 73 -16.117 25.757 69.087 0.00 0.00 0.013 C +ATOM 715 CG1 ILE 73 -16.754 27.084 69.504 0.00 0.00 0.002 C +ATOM 716 CG2 ILE 73 -14.826 25.965 68.292 0.00 0.00 0.012 C +ATOM 717 CD1 ILE 73 -15.766 27.942 70.296 0.00 0.00 0.005 C +ATOM 718 N ASN 74 -16.363 23.924 66.217 0.00 0.00 -0.346 N +ATOM 719 HN ASN 74 -16.710 24.790 65.804 1.00 0.00 0.163 HD +ATOM 720 CA ASN 74 -15.794 22.900 65.351 0.00 0.00 0.185 C +ATOM 721 C ASN 74 -16.402 21.535 65.657 0.00 0.00 0.243 C +ATOM 722 O ASN 74 -15.694 20.622 66.100 0.00 0.00 -0.271 OA +ATOM 723 CB ASN 74 -14.263 22.819 65.494 0.00 0.00 0.137 C +ATOM 724 CG ASN 74 -13.596 24.100 64.988 0.00 0.00 0.217 C +ATOM 725 OD1 ASN 74 -14.182 24.892 64.269 0.00 0.00 -0.274 OA +ATOM 726 ND2 ASN 74 -12.342 24.256 65.402 0.00 0.00 -0.370 N +ATOM 727 1HD2 ASN 74 -11.897 25.110 65.065 1.00 0.00 0.159 HD +ATOM 728 2HD2 ASN 74 -11.852 23.594 66.003 1.00 0.00 0.159 HD +ATOM 729 N PRO 75 -17.743 21.405 65.529 0.00 0.00 -0.337 N +ATOM 730 CA PRO 75 -18.369 20.103 65.801 0.00 0.00 0.179 C +ATOM 731 C PRO 75 -18.171 19.143 64.622 0.00 0.00 0.241 C +ATOM 732 O PRO 75 -18.089 19.548 63.475 0.00 0.00 -0.271 OA +ATOM 733 CB PRO 75 -19.771 20.383 66.160 0.00 0.00 0.037 C +ATOM 734 CG PRO 75 -20.064 21.776 65.626 0.00 0.00 0.022 C +ATOM 735 CD PRO 75 -18.736 22.432 65.283 0.00 0.00 0.127 C +ATOM 736 N GLU 76 -18.149 17.862 64.918 0.00 0.00 -0.346 N +ATOM 737 HN GLU 76 -18.283 17.581 65.889 1.00 0.00 0.163 HD +ATOM 738 CA GLU 76 -17.943 16.839 63.923 0.00 0.00 0.177 C +ATOM 739 C GLU 76 -18.879 15.709 64.287 0.00 0.00 0.241 C +ATOM 740 O GLU 76 -18.950 15.317 65.448 0.00 0.00 -0.271 OA +ATOM 741 CB GLU 76 -16.496 16.323 64.027 0.00 0.00 0.045 C +ATOM 742 CG GLU 76 -16.166 15.376 62.871 0.00 0.00 0.116 C +ATOM 743 CD GLU 76 -14.923 14.541 63.184 0.00 0.00 0.172 C +ATOM 744 OE1 GLU 76 -14.089 14.954 64.004 0.00 0.00 -0.648 OA +ATOM 745 OE2 GLU 76 -14.840 13.426 62.542 0.00 0.00 -0.648 OA +ATOM 746 N LEU 77 -19.622 15.205 63.309 0.00 0.00 -0.346 N +ATOM 747 HN LEU 77 -19.546 15.596 62.370 1.00 0.00 0.163 HD +ATOM 748 CA LEU 77 -20.547 14.099 63.553 0.00 0.00 0.177 C +ATOM 749 C LEU 77 -19.771 12.794 63.491 0.00 0.00 0.241 C +ATOM 750 O LEU 77 -19.162 12.492 62.475 0.00 0.00 -0.271 OA +ATOM 751 CB LEU 77 -21.663 14.076 62.492 0.00 0.00 0.038 C +ATOM 752 CG LEU 77 -22.646 12.907 62.578 0.00 0.00 -0.020 C +ATOM 753 CD1 LEU 77 -23.457 12.966 63.874 0.00 0.00 0.009 C +ATOM 754 CD2 LEU 77 -23.546 12.855 61.342 0.00 0.00 0.009 C +ATOM 755 N LEU 78 -19.771 12.028 64.575 0.00 0.00 -0.346 N +ATOM 756 HN LEU 78 -20.271 12.328 65.412 1.00 0.00 0.163 HD +ATOM 757 CA LEU 78 -19.056 10.759 64.569 0.00 0.00 0.177 C +ATOM 758 C LEU 78 -19.949 9.623 64.071 0.00 0.00 0.241 C +ATOM 759 O LEU 78 -19.504 8.776 63.304 0.00 0.00 -0.271 OA +ATOM 760 CB LEU 78 -18.489 10.434 65.964 0.00 0.00 0.038 C +ATOM 761 CG LEU 78 -17.677 11.545 66.633 0.00 0.00 -0.020 C +ATOM 762 CD1 LEU 78 -17.123 11.082 67.982 0.00 0.00 0.009 C +ATOM 763 CD2 LEU 78 -16.572 12.052 65.703 0.00 0.00 0.009 C +ATOM 764 N GLU 79 -21.207 9.608 64.512 0.00 0.00 -0.346 N +ATOM 765 HN GLU 79 -21.513 10.339 65.154 1.00 0.00 0.163 HD +ATOM 766 CA GLU 79 -22.164 8.579 64.107 0.00 0.00 0.177 C +ATOM 767 C GLU 79 -23.598 9.074 64.262 0.00 0.00 0.241 C +ATOM 768 O GLU 79 -23.833 10.086 64.915 0.00 0.00 -0.271 OA +ATOM 769 CB GLU 79 -21.956 7.293 64.928 0.00 0.00 0.045 C +ATOM 770 CG GLU 79 -21.633 7.620 66.387 0.00 0.00 0.116 C +ATOM 771 CD GLU 79 -21.078 6.393 67.114 0.00 0.00 0.172 C +ATOM 772 OE1 GLU 79 -21.666 5.943 68.108 0.00 0.00 -0.648 OA +ATOM 773 OE2 GLU 79 -19.996 5.904 66.610 0.00 0.00 -0.648 OA +ATOM 774 N LYS 80 -24.536 8.382 63.621 0.00 0.00 -0.346 N +ATOM 775 HN LYS 80 -24.252 7.572 63.070 1.00 0.00 0.163 HD +ATOM 776 CA LYS 80 -25.958 8.729 63.670 0.00 0.00 0.176 C +ATOM 777 C LYS 80 -26.799 7.479 63.437 0.00 0.00 0.241 C +ATOM 778 O LYS 80 -26.318 6.516 62.842 0.00 0.00 -0.271 OA +ATOM 779 CB LYS 80 -26.311 9.791 62.612 0.00 0.00 0.035 C +ATOM 780 CG LYS 80 -26.094 9.249 61.198 0.00 0.00 0.004 C +ATOM 781 CD LYS 80 -26.362 10.331 60.149 0.00 0.00 0.027 C +ATOM 782 CE LYS 80 -26.673 9.708 58.787 0.00 0.00 0.229 C +ATOM 783 NZ LYS 80 -27.052 10.750 57.818 0.00 0.00 -0.079 N +ATOM 784 HZ1 LYS 80 -27.259 10.335 56.910 1.00 0.00 0.274 HD +ATOM 785 HZ2 LYS 80 -26.342 11.479 57.748 1.00 0.00 0.274 HD +ATOM 786 HZ3 LYS 80 -27.825 11.322 58.159 1.00 0.00 0.274 HD +ATOM 787 N SER 81 -28.043 7.484 63.920 0.00 0.00 -0.344 N +ATOM 788 HN SER 81 -28.379 8.302 64.428 1.00 0.00 0.163 HD +ATOM 789 CA SER 81 -28.935 6.336 63.734 0.00 0.00 0.200 C +ATOM 790 C SER 81 -30.416 6.700 63.833 0.00 0.00 0.242 C +ATOM 791 O SER 81 -30.784 7.646 64.537 0.00 0.00 -0.271 OA +ATOM 792 CB SER 81 -28.602 5.209 64.729 0.00 0.00 0.199 C +ATOM 793 OG SER 81 -28.818 5.608 66.080 0.00 0.00 -0.398 OA +ATOM 794 HOG SER 81 -28.601 4.883 66.655 0.00 0.00 0.209 HD +ATOM 795 N GLY 82 -31.244 5.936 63.119 0.00 0.00 -0.350 N +ATOM 796 HN GLY 82 -30.849 5.178 62.562 1.00 0.00 0.163 HD +ATOM 797 CA GLY 82 -32.697 6.136 63.098 0.00 0.00 0.225 C +ATOM 798 C GLY 82 -33.269 7.383 62.423 0.00 0.00 0.236 C +ATOM 799 O GLY 82 -32.528 8.223 61.892 0.00 0.00 -0.272 OA +ATOM 800 N GLU 83 -34.603 7.469 62.365 0.00 0.00 -0.346 N +ATOM 801 HN GLU 83 -35.167 6.699 62.726 1.00 0.00 0.163 HD +ATOM 802 CA GLU 83 -35.280 8.649 61.792 0.00 0.00 0.177 C +ATOM 803 C GLU 83 -36.300 9.160 62.806 0.00 0.00 0.241 C +ATOM 804 O GLU 83 -36.808 8.397 63.635 0.00 0.00 -0.271 OA +ATOM 805 CB GLU 83 -36.014 8.376 60.466 0.00 0.00 0.045 C +ATOM 806 CG GLU 83 -35.522 7.077 59.824 0.00 0.00 0.116 C +ATOM 807 CD GLU 83 -35.955 5.862 60.646 0.00 0.00 0.172 C +ATOM 808 OE1 GLU 83 -37.142 5.731 60.982 0.00 0.00 -0.648 OA +ATOM 809 OE2 GLU 83 -35.010 5.033 60.935 0.00 0.00 -0.648 OA +ATOM 810 N THR 84 -36.634 10.436 62.699 0.00 0.00 -0.344 N +ATOM 811 HN THR 84 -36.229 10.993 61.947 1.00 0.00 0.163 HD +ATOM 812 CA THR 84 -37.554 11.061 63.616 0.00 0.00 0.205 C +ATOM 813 C THR 84 -37.892 12.387 62.992 0.00 0.00 0.243 C +ATOM 814 O THR 84 -37.460 12.660 61.871 0.00 0.00 -0.271 OA +ATOM 815 CB THR 84 -36.910 11.254 65.001 0.00 0.00 0.146 C +ATOM 816 OG1 THR 84 -37.998 11.631 65.841 0.00 0.00 -0.393 OA +ATOM 817 CG2 THR 84 -35.970 12.461 65.047 0.00 0.00 0.042 C +ATOM 818 HOG THR 84 -37.674 11.769 66.723 0.00 0.00 0.210 HD +ATOM 819 N GLY 85 -38.661 13.203 63.704 0.00 0.00 -0.350 N +ATOM 820 HN GLY 85 -38.975 12.922 64.633 1.00 0.00 0.163 HD +ATOM 821 CA GLY 85 -39.055 14.486 63.171 0.00 0.00 0.225 C +ATOM 822 C GLY 85 -40.122 15.183 63.989 0.00 0.00 0.236 C +ATOM 823 O GLY 85 -41.127 14.572 64.410 0.00 0.00 -0.272 OA +ATOM 824 N ILE 86 -39.883 16.462 64.250 0.00 0.00 -0.346 N +ATOM 825 HN ILE 86 -39.008 16.877 63.929 1.00 0.00 0.163 HD +ATOM 826 CA ILE 86 -40.832 17.292 64.982 0.00 0.00 0.180 C +ATOM 827 C ILE 86 -41.052 18.502 64.094 0.00 0.00 0.241 C +ATOM 828 O ILE 86 -40.422 18.608 63.024 0.00 0.00 -0.271 OA +ATOM 829 CB ILE 86 -40.311 17.728 66.364 0.00 0.00 0.013 C +ATOM 830 CG1 ILE 86 -39.010 18.523 66.234 0.00 0.00 0.002 C +ATOM 831 CG2 ILE 86 -40.158 16.525 67.297 0.00 0.00 0.012 C +ATOM 832 CD1 ILE 86 -38.500 18.967 67.607 0.00 0.00 0.005 C +ATOM 833 N GLU 87 -41.997 19.362 64.463 0.00 0.00 -0.346 N +ATOM 834 HN GLU 87 -42.543 19.183 65.306 1.00 0.00 0.163 HD +ATOM 835 CA GLU 87 -42.259 20.563 63.669 0.00 0.00 0.177 C +ATOM 836 C GLU 87 -41.224 21.557 64.144 0.00 0.00 0.241 C +ATOM 837 O GLU 87 -41.158 21.846 65.332 0.00 0.00 -0.271 OA +ATOM 838 CB GLU 87 -43.685 21.105 63.880 0.00 0.00 0.045 C +ATOM 839 CG GLU 87 -44.725 20.168 63.260 0.00 0.00 0.116 C +ATOM 840 CD GLU 87 -46.103 20.831 63.217 0.00 0.00 0.172 C +ATOM 841 OE1 GLU 87 -46.206 22.058 63.365 0.00 0.00 -0.648 OA +ATOM 842 OE2 GLU 87 -47.090 20.024 63.021 0.00 0.00 -0.648 OA +ATOM 843 N GLU 88 -40.358 21.990 63.232 0.00 0.00 -0.346 N +ATOM 844 HN GLU 88 -40.457 21.668 62.269 1.00 0.00 0.163 HD +ATOM 845 CA GLU 88 -39.270 22.909 63.557 0.00 0.00 0.177 C +ATOM 846 C GLU 88 -39.521 24.262 62.975 0.00 0.00 0.240 C +ATOM 847 O GLU 88 -40.094 24.395 61.898 0.00 0.00 -0.271 OA +ATOM 848 CB GLU 88 -37.934 22.424 62.964 0.00 0.00 0.045 C +ATOM 849 CG GLU 88 -37.593 21.017 63.458 0.00 0.00 0.116 C +ATOM 850 CD GLU 88 -36.268 20.534 62.865 0.00 0.00 0.172 C +ATOM 851 OE1 GLU 88 -35.450 21.354 62.424 0.00 0.00 -0.648 OA +ATOM 852 OE2 GLU 88 -36.102 19.254 62.873 0.00 0.00 -0.648 OA +ATOM 853 N GLY 89 -39.110 25.271 63.713 0.00 0.00 -0.351 N +ATOM 854 HN GLY 89 -38.707 25.098 64.634 1.00 0.00 0.163 HD +ATOM 855 CA GLY 89 -39.229 26.621 63.222 0.00 0.00 0.225 C +ATOM 856 C GLY 89 -37.794 27.111 63.214 0.00 0.00 0.236 C +ATOM 857 O GLY 89 -36.928 26.541 63.898 0.00 0.00 -0.272 OA +ATOM 858 N CYM 90 -37.526 28.158 62.455 0.00 0.00 -0.346 N +ATOM 859 HN CYM 90 -38.273 28.590 61.910 1.00 0.00 0.163 HD +ATOM 860 CA CYM 90 -36.179 28.703 62.386 0.00 0.00 0.186 C +ATOM 861 C CYM 90 -36.254 30.222 62.482 0.00 0.00 0.241 C +ATOM 862 O CYM 90 -37.153 30.835 61.900 0.00 0.00 -0.271 OA +ATOM 863 CB CYM 90 -35.505 28.265 61.073 0.00 0.00 0.120 C +ATOM 864 SG CYM 90 -33.933 29.100 60.707 0.00 0.00 -0.095 SA +ATOM 865 N LEU 91 -35.341 30.826 63.242 0.00 0.00 -0.346 N +ATOM 866 HN LEU 91 -34.648 30.264 63.736 1.00 0.00 0.163 HD +ATOM 867 CA LEU 91 -35.317 32.287 63.380 0.00 0.00 0.177 C +ATOM 868 C LEU 91 -35.084 32.953 62.006 0.00 0.00 0.241 C +ATOM 869 O LEU 91 -35.606 34.032 61.728 0.00 0.00 -0.271 OA +ATOM 870 CB LEU 91 -34.261 32.719 64.414 0.00 0.00 0.038 C +ATOM 871 CG LEU 91 -34.478 32.220 65.844 0.00 0.00 -0.020 C +ATOM 872 CD1 LEU 91 -33.250 32.495 66.713 0.00 0.00 0.009 C +ATOM 873 CD2 LEU 91 -35.752 32.816 66.446 0.00 0.00 0.009 C +ATOM 874 N SER 92 -34.364 32.270 61.119 0.00 0.00 -0.344 N +ATOM 875 HN SER 92 -33.995 31.355 61.377 1.00 0.00 0.163 HD +ATOM 876 CA SER 92 -34.087 32.801 59.779 0.00 0.00 0.200 C +ATOM 877 C SER 92 -35.284 32.674 58.816 0.00 0.00 0.243 C +ATOM 878 O SER 92 -35.308 33.292 57.746 0.00 0.00 -0.271 OA +ATOM 879 CB SER 92 -32.826 32.130 59.205 0.00 0.00 0.199 C +ATOM 880 OG SER 92 -31.686 32.336 60.035 0.00 0.00 -0.398 OA +ATOM 881 HOG SER 92 -30.935 31.906 59.643 0.00 0.00 0.209 HD +ATOM 882 N ILE 93 -36.274 31.867 59.195 0.00 0.00 -0.346 N +ATOM 883 HN ILE 93 -36.181 31.355 60.072 1.00 0.00 0.163 HD +ATOM 884 CA ILE 93 -37.492 31.686 58.400 0.00 0.00 0.181 C +ATOM 885 C ILE 93 -38.566 32.129 59.418 0.00 0.00 0.247 C +ATOM 886 O ILE 93 -39.492 31.370 59.746 0.00 0.00 -0.271 OA +ATOM 887 CB ILE 93 -37.635 30.217 57.960 0.00 0.00 0.013 C +ATOM 888 CG1 ILE 93 -36.395 29.752 57.193 0.00 0.00 0.002 C +ATOM 889 CG2 ILE 93 -38.919 30.008 57.155 0.00 0.00 0.012 C +ATOM 890 CD1 ILE 93 -36.475 28.256 56.878 0.00 0.00 0.005 C +ATOM 891 N PRO 94 -38.499 33.422 59.821 0.00 0.00 -0.311 N +ATOM 892 CA PRO 94 -39.276 34.225 60.766 0.00 0.00 0.101 C +ATOM 893 C PRO 94 -40.304 33.549 61.670 0.00 0.00 0.268 C +ATOM 894 O PRO 94 -40.077 33.409 62.875 0.00 0.00 -0.266 OA +ATOM 895 CB PRO 94 -39.058 35.585 60.572 0.00 0.00 0.010 C +ATOM 896 CG PRO 94 -38.540 35.674 59.145 0.00 0.00 0.050 C +ATOM 897 CD PRO 94 -38.132 34.277 58.709 0.00 0.00 0.136 C +ATOM 898 N GLU 95 -41.425 33.126 61.092 0.00 0.00 -0.342 N +ATOM 899 HN GLU 95 -41.526 33.233 60.083 1.00 0.00 0.163 HD +ATOM 900 CA GLU 95 -42.517 32.515 61.844 0.00 0.00 0.177 C +ATOM 901 C GLU 95 -43.183 31.362 61.091 0.00 0.00 0.241 C +ATOM 902 O GLU 95 -44.405 31.346 60.909 0.00 0.00 -0.271 OA +ATOM 903 CB GLU 95 -43.570 33.595 62.152 0.00 0.00 0.045 C +ATOM 904 CG GLU 95 -42.946 34.770 62.908 0.00 0.00 0.116 C +ATOM 905 CD GLU 95 -43.884 35.979 62.914 0.00 0.00 0.172 C +ATOM 906 OE1 GLU 95 -44.156 36.558 61.852 0.00 0.00 -0.648 OA +ATOM 907 OE2 GLU 95 -44.338 36.311 64.074 0.00 0.00 -0.648 OA +ATOM 908 N GLN 96 -42.396 30.375 60.691 0.00 0.00 -0.346 N +ATOM 909 HN GLN 96 -41.398 30.410 60.901 1.00 0.00 0.163 HD +ATOM 910 CA GLN 96 -42.934 29.244 59.958 0.00 0.00 0.177 C +ATOM 911 C GLN 96 -42.446 27.975 60.640 0.00 0.00 0.241 C +ATOM 912 O GLN 96 -41.394 27.982 61.280 0.00 0.00 -0.271 OA +ATOM 913 CB GLN 96 -42.470 29.306 58.491 0.00 0.00 0.044 C +ATOM 914 CG GLN 96 -43.659 29.500 57.548 0.00 0.00 0.105 C +ATOM 915 CD GLN 96 -44.346 30.844 57.801 0.00 0.00 0.215 C +ATOM 916 OE1 GLN 96 -43.720 31.889 57.864 0.00 0.00 -0.274 OA +ATOM 917 NE2 GLN 96 -45.666 30.758 57.943 0.00 0.00 -0.370 N +ATOM 918 1HE2 GLN 96 -46.189 29.884 57.890 1.00 0.00 0.159 HD +ATOM 919 2HE2 GLN 96 -46.124 31.654 58.112 1.00 0.00 0.159 HD +ATOM 920 N ARG 97 -43.231 26.906 60.542 0.00 0.00 -0.346 N +ATOM 921 HN ARG 97 -44.107 26.984 60.026 1.00 0.00 0.163 HD +ATOM 922 CA ARG 97 -42.881 25.625 61.148 0.00 0.00 0.176 C +ATOM 923 C ARG 97 -43.214 24.483 60.227 0.00 0.00 0.241 C +ATOM 924 O ARG 97 -44.212 24.536 59.497 0.00 0.00 -0.271 OA +ATOM 925 CB ARG 97 -43.607 25.410 62.489 0.00 0.00 0.036 C +ATOM 926 CG ARG 97 -43.169 26.450 63.522 0.00 0.00 0.023 C +ATOM 927 CD ARG 97 -43.399 25.939 64.946 0.00 0.00 0.138 C +ATOM 928 NE ARG 97 -43.079 27.003 65.924 0.00 0.00 -0.227 N +ATOM 929 HE ARG 97 -42.498 27.781 65.611 1.00 0.00 0.177 HD +ATOM 930 CZ ARG 97 -43.508 27.009 67.204 0.00 0.00 0.665 C +ATOM 931 NH1 ARG 97 -44.273 25.998 67.637 0.00 0.00 -0.235 N +ATOM 932 1HH1 ARG 97 -44.527 25.235 67.010 1.00 0.00 0.174 HD +ATOM 933 2HH1 ARG 97 -44.597 26.003 68.604 1.00 0.00 0.174 HD +ATOM 934 NH2 ARG 97 -43.174 28.011 68.028 0.00 0.00 -0.235 N +ATOM 935 1HH2 ARG 97 -42.592 28.781 67.698 1.00 0.00 0.174 HD +ATOM 936 2HH2 ARG 97 -43.498 28.016 68.995 1.00 0.00 0.174 HD +ATOM 937 N ALA 98 -42.402 23.435 60.272 0.00 0.00 -0.346 N +ATOM 938 HN ALA 98 -41.603 23.446 60.907 1.00 0.00 0.163 HD +ATOM 939 CA ALA 98 -42.630 22.278 59.437 0.00 0.00 0.172 C +ATOM 940 C ALA 98 -41.893 21.067 59.982 0.00 0.00 0.240 C +ATOM 941 O ALA 98 -40.886 21.207 60.689 0.00 0.00 -0.271 OA +ATOM 942 CB ALA 98 -42.188 22.575 57.992 0.00 0.00 0.042 C +ATOM 943 N LEU 99 -42.435 19.885 59.697 0.00 0.00 -0.346 N +ATOM 944 HN LEU 99 -43.294 19.873 59.147 1.00 0.00 0.163 HD +ATOM 945 CA LEU 99 -41.878 18.610 60.121 0.00 0.00 0.177 C +ATOM 946 C LEU 99 -40.717 18.344 59.175 0.00 0.00 0.241 C +ATOM 947 O LEU 99 -40.891 18.395 57.963 0.00 0.00 -0.271 OA +ATOM 948 CB LEU 99 -42.926 17.497 59.931 0.00 0.00 0.038 C +ATOM 949 CG LEU 99 -42.862 16.339 60.928 0.00 0.00 -0.020 C +ATOM 950 CD1 LEU 99 -43.147 15.004 60.236 0.00 0.00 0.009 C +ATOM 951 CD2 LEU 99 -41.525 16.326 61.670 0.00 0.00 0.009 C +ATOM 952 N VAL 100 -39.549 18.026 59.736 0.00 0.00 -0.346 N +ATOM 953 HN VAL 100 -39.490 17.970 60.753 1.00 0.00 0.163 HD +ATOM 954 CA VAL 100 -38.353 17.755 58.944 0.00 0.00 0.180 C +ATOM 955 C VAL 100 -37.760 16.428 59.371 0.00 0.00 0.243 C +ATOM 956 O VAL 100 -37.695 16.142 60.560 0.00 0.00 -0.271 OA +ATOM 957 CB VAL 100 -37.312 18.872 59.145 0.00 0.00 0.009 C +ATOM 958 CG1 VAL 100 -36.043 18.590 58.338 0.00 0.00 0.012 C +ATOM 959 CG2 VAL 100 -37.898 20.239 58.785 0.00 0.00 0.012 C +ATOM 960 N PRO 101 -37.434 15.547 58.409 0.00 0.00 -0.337 N +ATOM 961 CA PRO 101 -36.844 14.260 58.780 0.00 0.00 0.179 C +ATOM 962 C PRO 101 -35.403 14.461 59.303 0.00 0.00 0.241 C +ATOM 963 O PRO 101 -34.619 15.237 58.723 0.00 0.00 -0.271 OA +ATOM 964 CB PRO 101 -37.083 13.338 57.667 0.00 0.00 0.037 C +ATOM 965 CG PRO 101 -37.374 14.223 56.466 0.00 0.00 0.022 C +ATOM 966 CD PRO 101 -37.655 15.626 56.978 0.00 0.00 0.127 C +ATOM 967 N ARG 102 -35.100 13.823 60.435 0.00 0.00 -0.346 N +ATOM 968 HN ARG 102 -35.807 13.229 60.867 1.00 0.00 0.163 HD +ATOM 969 CA ARG 102 -33.802 13.942 61.076 0.00 0.00 0.176 C +ATOM 970 C ARG 102 -33.393 12.604 61.629 0.00 0.00 0.241 C +ATOM 971 O ARG 102 -34.229 11.717 61.796 0.00 0.00 -0.271 OA +ATOM 972 CB ARG 102 -33.856 14.962 62.228 0.00 0.00 0.036 C +ATOM 973 CG ARG 102 -34.668 16.196 61.830 0.00 0.00 0.023 C +ATOM 974 CD ARG 102 -33.841 17.473 61.992 0.00 0.00 0.138 C +ATOM 975 NE ARG 102 -32.844 17.572 60.902 0.00 0.00 -0.227 N +ATOM 976 HE ARG 102 -32.429 16.708 60.554 1.00 0.00 0.177 HD +ATOM 977 CZ ARG 102 -32.450 18.735 60.340 0.00 0.00 0.665 C +ATOM 978 NH1 ARG 102 -32.981 19.883 60.782 0.00 0.00 -0.235 N +ATOM 979 1HH1 ARG 102 -33.673 19.879 61.531 1.00 0.00 0.174 HD +ATOM 980 2HH1 ARG 102 -32.683 20.761 60.358 1.00 0.00 0.174 HD +ATOM 981 NH2 ARG 102 -31.541 18.740 59.356 0.00 0.00 -0.235 N +ATOM 982 1HH2 ARG 102 -31.137 17.866 59.020 1.00 0.00 0.174 HD +ATOM 983 2HH2 ARG 102 -31.243 19.618 58.932 1.00 0.00 0.174 HD +ATOM 984 N ALA 103 -32.092 12.426 61.855 0.00 0.00 -0.346 N +ATOM 985 HN ALA 103 -31.434 13.168 61.616 1.00 0.00 0.163 HD +ATOM 986 CA ALA 103 -31.597 11.185 62.439 0.00 0.00 0.172 C +ATOM 987 C ALA 103 -32.077 11.258 63.881 0.00 0.00 0.240 C +ATOM 988 O ALA 103 -32.113 12.352 64.478 0.00 0.00 -0.271 OA +ATOM 989 CB ALA 103 -30.060 11.121 62.377 0.00 0.00 0.042 C +ATOM 990 N GLU 104 -32.451 10.110 64.437 0.00 0.00 -0.346 N +ATOM 991 HN GLU 104 -32.391 9.251 63.891 1.00 0.00 0.163 HD +ATOM 992 CA GLU 104 -32.948 10.046 65.816 0.00 0.00 0.177 C +ATOM 993 C GLU 104 -31.855 10.229 66.870 0.00 0.00 0.241 C +ATOM 994 O GLU 104 -32.040 10.956 67.856 0.00 0.00 -0.271 OA +ATOM 995 CB GLU 104 -33.707 8.730 66.069 0.00 0.00 0.045 C +ATOM 996 CG GLU 104 -34.356 8.729 67.455 0.00 0.00 0.116 C +ATOM 997 CD GLU 104 -34.766 7.314 67.867 0.00 0.00 0.172 C +ATOM 998 OE1 GLU 104 -34.536 6.357 67.113 0.00 0.00 -0.648 OA +ATOM 999 OE2 GLU 104 -35.342 7.227 69.018 0.00 0.00 -0.648 OA +ATOM 1000 N LYS 105 -30.720 9.569 66.656 0.00 0.00 -0.346 N +ATOM 1001 HN LYS 105 -30.642 8.984 65.824 1.00 0.00 0.163 HD +ATOM 1002 CA LYS 105 -29.574 9.651 67.573 0.00 0.00 0.176 C +ATOM 1003 C LYS 105 -28.291 10.106 66.872 0.00 0.00 0.241 C +ATOM 1004 O LYS 105 -28.041 9.719 65.735 0.00 0.00 -0.271 OA +ATOM 1005 CB LYS 105 -29.302 8.278 68.214 0.00 0.00 0.035 C +ATOM 1006 CG LYS 105 -30.468 7.848 69.107 0.00 0.00 0.004 C +ATOM 1007 CD LYS 105 -30.161 6.525 69.810 0.00 0.00 0.027 C +ATOM 1008 CE LYS 105 -31.329 6.094 70.700 0.00 0.00 0.229 C +ATOM 1009 NZ LYS 105 -31.152 4.702 71.145 0.00 0.00 -0.079 N +ATOM 1010 HZ1 LYS 105 -31.930 4.415 71.738 1.00 0.00 0.274 HD +ATOM 1011 HZ2 LYS 105 -30.253 4.563 71.606 1.00 0.00 0.274 HD +ATOM 1012 HZ3 LYS 105 -31.020 4.066 70.358 1.00 0.00 0.274 HD +ATOM 1013 N VAL 106 -27.497 10.930 67.555 0.00 0.00 -0.346 N +ATOM 1014 HN VAL 106 -27.793 11.249 68.477 1.00 0.00 0.163 HD +ATOM 1015 CA VAL 106 -26.203 11.395 67.019 0.00 0.00 0.180 C +ATOM 1016 C VAL 106 -25.087 11.444 68.068 0.00 0.00 0.241 C +ATOM 1017 O VAL 106 -25.337 11.718 69.246 0.00 0.00 -0.271 OA +ATOM 1018 CB VAL 106 -26.268 12.789 66.368 0.00 0.00 0.009 C +ATOM 1019 CG1 VAL 106 -27.124 12.763 65.100 0.00 0.00 0.012 C +ATOM 1020 CG2 VAL 106 -26.787 13.833 67.359 0.00 0.00 0.012 C +ATOM 1021 N LYS 107 -23.867 11.126 67.631 0.00 0.00 -0.346 N +ATOM 1022 HN LYS 107 -23.753 10.818 66.665 1.00 0.00 0.163 HD +ATOM 1023 CA LYS 107 -22.682 11.206 68.498 0.00 0.00 0.176 C +ATOM 1024 C LYS 107 -21.741 12.213 67.856 0.00 0.00 0.241 C +ATOM 1025 O LYS 107 -21.385 12.064 66.694 0.00 0.00 -0.271 OA +ATOM 1026 CB LYS 107 -21.941 9.862 68.629 0.00 0.00 0.035 C +ATOM 1027 CG LYS 107 -20.771 9.974 69.607 0.00 0.00 0.004 C +ATOM 1028 CD LYS 107 -19.937 8.691 69.615 0.00 0.00 0.027 C +ATOM 1029 CE LYS 107 -18.729 8.828 70.543 0.00 0.00 0.229 C +ATOM 1030 NZ LYS 107 -17.878 7.629 70.462 0.00 0.00 -0.079 N +ATOM 1031 HZ1 LYS 107 -17.072 7.720 71.081 1.00 0.00 0.274 HD +ATOM 1032 HZ2 LYS 107 -17.598 7.427 69.502 1.00 0.00 0.274 HD +ATOM 1033 HZ3 LYS 107 -18.405 6.776 70.649 1.00 0.00 0.274 HD +ATOM 1034 N ILE 108 -21.415 13.283 68.564 0.00 0.00 -0.346 N +ATOM 1035 HN ILE 108 -21.803 13.415 69.498 1.00 0.00 0.163 HD +ATOM 1036 CA ILE 108 -20.503 14.269 68.007 0.00 0.00 0.180 C +ATOM 1037 C ILE 108 -19.263 14.490 68.892 0.00 0.00 0.241 C +ATOM 1038 O ILE 108 -19.168 14.014 70.020 0.00 0.00 -0.271 OA +ATOM 1039 CB ILE 108 -21.170 15.632 67.747 0.00 0.00 0.013 C +ATOM 1040 CG1 ILE 108 -21.575 16.304 69.061 0.00 0.00 0.002 C +ATOM 1041 CG2 ILE 108 -22.354 15.490 66.788 0.00 0.00 0.012 C +ATOM 1042 CD1 ILE 108 -21.693 17.820 68.889 0.00 0.00 0.005 C +ATOM 1043 N ARG 109 -18.328 15.242 68.350 0.00 0.00 -0.346 N +ATOM 1044 HN ARG 109 -18.472 15.591 67.402 1.00 0.00 0.163 HD +ATOM 1045 CA ARG 109 -17.108 15.595 69.036 0.00 0.00 0.176 C +ATOM 1046 C ARG 109 -17.050 17.092 68.786 0.00 0.00 0.241 C +ATOM 1047 O ARG 109 -17.470 17.544 67.718 0.00 0.00 -0.271 OA +ATOM 1048 CB ARG 109 -15.928 14.894 68.337 0.00 0.00 0.036 C +ATOM 1049 CG ARG 109 -14.590 15.428 68.852 0.00 0.00 0.023 C +ATOM 1050 CD ARG 109 -13.449 15.058 67.902 0.00 0.00 0.138 C +ATOM 1051 NE ARG 109 -13.306 13.587 67.833 0.00 0.00 -0.227 N +ATOM 1052 HE ARG 109 -13.808 13.025 68.521 1.00 0.00 0.177 HD +ATOM 1053 CZ ARG 109 -12.553 12.942 66.917 0.00 0.00 0.665 C +ATOM 1054 NH1 ARG 109 -11.884 13.660 66.004 0.00 0.00 -0.235 N +ATOM 1055 1HH1 ARG 109 -11.943 14.678 66.002 1.00 0.00 0.174 HD +ATOM 1056 2HH1 ARG 109 -11.315 13.173 65.312 1.00 0.00 0.174 HD +ATOM 1057 NH2 ARG 109 -12.475 11.604 66.920 0.00 0.00 -0.235 N +ATOM 1058 1HH2 ARG 109 -12.984 11.058 67.615 1.00 0.00 0.174 HD +ATOM 1059 2HH2 ARG 109 -11.906 11.117 66.228 1.00 0.00 0.174 HD +ATOM 1060 N ALA 110 -16.618 17.866 69.779 0.00 0.00 -0.346 N +ATOM 1061 HN ALA 110 -16.366 17.443 70.672 1.00 0.00 0.163 HD +ATOM 1062 CA ALA 110 -16.499 19.312 69.609 0.00 0.00 0.172 C +ATOM 1063 C ALA 110 -15.543 19.946 70.631 0.00 0.00 0.240 C +ATOM 1064 O ALA 110 -14.977 19.257 71.477 0.00 0.00 -0.271 OA +ATOM 1065 CB ALA 110 -17.887 19.973 69.697 0.00 0.00 0.042 C +ATOM 1066 N LEU 111 -15.323 21.249 70.509 0.00 0.00 -0.346 N +ATOM 1067 HN LEU 111 -15.753 21.753 69.734 1.00 0.00 0.163 HD +ATOM 1068 CA LEU 111 -14.483 21.983 71.452 0.00 0.00 0.177 C +ATOM 1069 C LEU 111 -15.455 22.842 72.253 0.00 0.00 0.241 C +ATOM 1070 O LEU 111 -16.381 23.408 71.673 0.00 0.00 -0.271 OA +ATOM 1071 CB LEU 111 -13.497 22.905 70.710 0.00 0.00 0.038 C +ATOM 1072 CG LEU 111 -12.668 22.249 69.604 0.00 0.00 -0.020 C +ATOM 1073 CD1 LEU 111 -11.675 23.244 69.001 0.00 0.00 0.009 C +ATOM 1074 CD2 LEU 111 -11.975 20.985 70.115 0.00 0.00 0.009 C +ATOM 1075 N ASP 112 -15.276 22.933 73.570 0.00 0.00 -0.346 N +ATOM 1076 HN ASP 112 -14.507 22.434 74.017 1.00 0.00 0.163 HD +ATOM 1077 CA ASP 112 -16.183 23.748 74.372 0.00 0.00 0.186 C +ATOM 1078 C ASP 112 -15.778 25.219 74.360 0.00 0.00 0.241 C +ATOM 1079 O ASP 112 -14.918 25.625 73.580 0.00 0.00 -0.271 OA +ATOM 1080 CB ASP 112 -16.357 23.195 75.799 0.00 0.00 0.147 C +ATOM 1081 CG ASP 112 -15.073 23.124 76.626 0.00 0.00 0.175 C +ATOM 1082 OD1 ASP 112 -14.187 23.984 76.506 0.00 0.00 -0.648 OA +ATOM 1083 OD2 ASP 112 -14.998 22.120 77.432 0.00 0.00 -0.648 OA +ATOM 1084 N ARG 113 -16.382 26.011 75.235 0.00 0.00 -0.346 N +ATOM 1085 HN ARG 113 -17.061 25.612 75.883 1.00 0.00 0.163 HD +ATOM 1086 CA ARG 113 -16.098 27.439 75.292 0.00 0.00 0.176 C +ATOM 1087 C ARG 113 -14.640 27.746 75.608 0.00 0.00 0.241 C +ATOM 1088 O ARG 113 -14.133 28.800 75.231 0.00 0.00 -0.271 OA +ATOM 1089 CB ARG 113 -17.015 28.132 76.317 0.00 0.00 0.036 C +ATOM 1090 CG ARG 113 -16.929 29.654 76.187 0.00 0.00 0.023 C +ATOM 1091 CD ARG 113 -17.954 30.340 77.094 0.00 0.00 0.138 C +ATOM 1092 NE ARG 113 -18.026 31.783 76.775 0.00 0.00 -0.227 N +ATOM 1093 HE ARG 113 -18.763 32.097 76.143 1.00 0.00 0.177 HD +ATOM 1094 CZ ARG 113 -17.178 32.711 77.268 0.00 0.00 0.665 C +ATOM 1095 NH1 ARG 113 -16.202 32.323 78.100 0.00 0.00 -0.235 N +ATOM 1096 1HH1 ARG 113 -15.561 33.024 78.472 1.00 0.00 0.174 HD +ATOM 1097 2HH1 ARG 113 -16.102 31.341 78.357 1.00 0.00 0.174 HD +ATOM 1098 NH2 ARG 113 -17.310 34.001 76.930 0.00 0.00 -0.235 N +ATOM 1099 1HH2 ARG 113 -16.669 34.702 77.302 1.00 0.00 0.174 HD +ATOM 1100 2HH2 ARG 113 -18.053 34.296 76.297 1.00 0.00 0.174 HD +ATOM 1101 N ASP 114 -13.979 26.831 76.308 0.00 0.00 -0.346 N +ATOM 1102 HN ASP 114 -14.465 25.981 76.594 1.00 0.00 0.163 HD +ATOM 1103 CA ASP 114 -12.579 27.004 76.680 0.00 0.00 0.186 C +ATOM 1104 C ASP 114 -11.655 26.310 75.684 0.00 0.00 0.241 C +ATOM 1105 O ASP 114 -10.478 26.109 75.968 0.00 0.00 -0.271 OA +ATOM 1106 CB ASP 114 -12.320 26.408 78.076 0.00 0.00 0.147 C +ATOM 1107 CG ASP 114 -13.236 26.933 79.183 0.00 0.00 0.175 C +ATOM 1108 OD1 ASP 114 -13.608 28.116 79.197 0.00 0.00 -0.648 OA +ATOM 1109 OD2 ASP 114 -13.575 26.061 80.071 0.00 0.00 -0.648 OA +ATOM 1110 N GLY 115 -12.197 25.906 74.539 0.00 0.00 -0.351 N +ATOM 1111 HN GLY 115 -13.185 26.081 74.357 1.00 0.00 0.163 HD +ATOM 1112 CA GLY 115 -11.394 25.219 73.548 0.00 0.00 0.225 C +ATOM 1113 C GLY 115 -11.142 23.756 73.863 0.00 0.00 0.236 C +ATOM 1114 O GLY 115 -10.520 23.055 73.069 0.00 0.00 -0.272 OA +ATOM 1115 N LYS 116 -11.625 23.278 75.003 0.00 0.00 -0.346 N +ATOM 1116 HN LYS 116 -12.141 23.895 75.631 1.00 0.00 0.163 HD +ATOM 1117 CA LYS 116 -11.425 21.878 75.368 0.00 0.00 0.177 C +ATOM 1118 C LYS 116 -12.361 20.929 74.606 0.00 0.00 0.247 C +ATOM 1119 O LYS 116 -13.577 21.125 74.577 0.00 0.00 -0.271 OA +ATOM 1120 CB LYS 116 -11.632 21.661 76.879 0.00 0.00 0.035 C +ATOM 1121 CG LYS 116 -10.883 22.718 77.692 0.00 0.00 0.004 C +ATOM 1122 CD LYS 116 -10.789 22.313 79.164 0.00 0.00 0.027 C +ATOM 1123 CE LYS 116 -10.089 23.396 79.988 0.00 0.00 0.229 C +ATOM 1124 NZ LYS 116 -10.963 24.570 80.145 0.00 0.00 -0.079 N +ATOM 1125 HZ1 LYS 116 -10.496 25.292 80.694 1.00 0.00 0.274 HD +ATOM 1126 HZ2 LYS 116 -11.869 24.318 80.541 1.00 0.00 0.274 HD +ATOM 1127 HZ3 LYS 116 -11.284 24.927 79.245 1.00 0.00 0.274 HD +ATOM 1128 N PRO 117 -11.795 19.918 73.938 0.00 0.00 -0.315 N +ATOM 1129 CA PRO 117 -12.572 18.934 73.179 0.00 0.00 0.082 C +ATOM 1130 C PRO 117 -13.430 18.055 74.091 0.00 0.00 0.265 C +ATOM 1131 O PRO 117 -13.031 17.735 75.214 0.00 0.00 -0.266 OA +ATOM 1132 CB PRO 117 -11.761 18.504 72.053 0.00 0.00 0.065 C +ATOM 1133 CG PRO 117 -10.332 18.861 72.430 0.00 0.00 0.026 C +ATOM 1134 CD PRO 117 -10.386 19.820 73.608 0.00 0.00 0.132 C +ATOM 1135 N PHE 118 -14.595 17.652 73.591 0.00 0.00 -0.342 N +ATOM 1136 HN PHE 118 -14.858 17.964 72.656 1.00 0.00 0.163 HD +ATOM 1137 CA PHE 118 -15.512 16.785 74.320 0.00 0.00 0.181 C +ATOM 1138 C PHE 118 -16.402 16.051 73.323 0.00 0.00 0.241 C +ATOM 1139 O PHE 118 -16.611 16.525 72.207 0.00 0.00 -0.271 OA +ATOM 1140 CB PHE 118 -16.368 17.583 75.321 0.00 0.00 0.073 C +ATOM 1141 CG PHE 118 -17.419 18.482 74.682 0.00 0.00 -0.056 A +ATOM 1142 CD1 PHE 118 -18.758 18.043 74.564 0.00 0.00 0.007 A +ATOM 1143 CD2 PHE 118 -17.057 19.760 74.197 0.00 0.00 0.007 A +ATOM 1144 CE1 PHE 118 -19.728 18.877 73.968 0.00 0.00 0.001 A +ATOM 1145 CE2 PHE 118 -18.028 20.593 73.601 0.00 0.00 0.001 A +ATOM 1146 CZ PHE 118 -19.363 20.152 73.487 0.00 0.00 0.000 A +ATOM 1147 N GLU 119 -16.842 14.858 73.705 0.00 0.00 -0.346 N +ATOM 1148 HN GLU 119 -16.542 14.495 74.610 1.00 0.00 0.163 HD +ATOM 1149 CA GLU 119 -17.732 14.045 72.892 0.00 0.00 0.177 C +ATOM 1150 C GLU 119 -19.113 14.048 73.556 0.00 0.00 0.241 C +ATOM 1151 O GLU 119 -19.223 14.057 74.791 0.00 0.00 -0.271 OA +ATOM 1152 CB GLU 119 -17.215 12.601 72.755 0.00 0.00 0.045 C +ATOM 1153 CG GLU 119 -16.004 12.538 71.822 0.00 0.00 0.116 C +ATOM 1154 CD GLU 119 -15.640 11.089 71.492 0.00 0.00 0.172 C +ATOM 1155 OE1 GLU 119 -16.039 10.169 72.220 0.00 0.00 -0.648 OA +ATOM 1156 OE2 GLU 119 -14.917 10.936 70.434 0.00 0.00 -0.648 OA +ATOM 1157 N LEU 120 -20.154 13.974 72.732 0.00 0.00 -0.346 N +ATOM 1158 HN LEU 120 -19.979 13.891 71.731 1.00 0.00 0.163 HD +ATOM 1159 CA LEU 120 -21.543 14.006 73.201 0.00 0.00 0.177 C +ATOM 1160 C LEU 120 -22.477 13.071 72.423 0.00 0.00 0.241 C +ATOM 1161 O LEU 120 -22.394 12.990 71.199 0.00 0.00 -0.271 OA +ATOM 1162 CB LEU 120 -22.068 15.449 73.081 0.00 0.00 0.038 C +ATOM 1163 CG LEU 120 -23.515 15.675 73.523 0.00 0.00 -0.020 C +ATOM 1164 CD1 LEU 120 -23.730 15.200 74.961 0.00 0.00 0.009 C +ATOM 1165 CD2 LEU 120 -23.924 17.137 73.335 0.00 0.00 0.009 C +ATOM 1166 N GLU 121 -23.333 12.348 73.149 0.00 0.00 -0.346 N +ATOM 1167 HN GLU 121 -23.298 12.422 74.166 1.00 0.00 0.163 HD +ATOM 1168 CA GLU 121 -24.320 11.452 72.542 0.00 0.00 0.177 C +ATOM 1169 C GLU 121 -25.658 12.120 72.796 0.00 0.00 0.241 C +ATOM 1170 O GLU 121 -25.976 12.472 73.926 0.00 0.00 -0.271 OA +ATOM 1171 CB GLU 121 -24.262 10.036 73.144 0.00 0.00 0.045 C +ATOM 1172 CG GLU 121 -22.994 9.303 72.701 0.00 0.00 0.116 C +ATOM 1173 CD GLU 121 -23.112 7.799 72.956 0.00 0.00 0.172 C +ATOM 1174 OE1 GLU 121 -23.526 7.049 72.059 0.00 0.00 -0.648 OA +ATOM 1175 OE2 GLU 121 -22.755 7.416 74.134 0.00 0.00 -0.648 OA +ATOM 1176 N ALA 122 -26.378 12.433 71.732 0.00 0.00 -0.346 N +ATOM 1177 HN ALA 122 -26.037 12.192 70.801 1.00 0.00 0.163 HD +ATOM 1178 CA ALA 122 -27.647 13.116 71.879 0.00 0.00 0.172 C +ATOM 1179 C ALA 122 -28.780 12.280 71.309 0.00 0.00 0.240 C +ATOM 1180 O ALA 122 -28.570 11.456 70.417 0.00 0.00 -0.271 OA +ATOM 1181 CB ALA 122 -27.585 14.506 71.219 0.00 0.00 0.042 C +ATOM 1182 N ASP 123 -29.967 12.483 71.875 0.00 0.00 -0.346 N +ATOM 1183 HN ASP 123 -30.026 13.178 72.620 1.00 0.00 0.163 HD +ATOM 1184 CA ASP 123 -31.197 11.776 71.501 0.00 0.00 0.186 C +ATOM 1185 C ASP 123 -32.301 12.821 71.639 0.00 0.00 0.241 C +ATOM 1186 O ASP 123 -32.051 13.908 72.168 0.00 0.00 -0.271 OA +ATOM 1187 CB ASP 123 -31.431 10.644 72.518 0.00 0.00 0.147 C +ATOM 1188 CG ASP 123 -32.594 9.706 72.186 0.00 0.00 0.175 C +ATOM 1189 OD1 ASP 123 -33.265 9.861 71.154 0.00 0.00 -0.648 OA +ATOM 1190 OD2 ASP 123 -32.804 8.771 73.049 0.00 0.00 -0.648 OA +ATOM 1191 N GLY 124 -33.501 12.519 71.147 0.00 0.00 -0.351 N +ATOM 1192 HN GLY 124 -33.643 11.629 70.670 1.00 0.00 0.163 HD +ATOM 1193 CA GLY 124 -34.611 13.448 71.285 0.00 0.00 0.225 C +ATOM 1194 C GLY 124 -34.424 14.818 70.656 0.00 0.00 0.236 C +ATOM 1195 O GLY 124 -33.866 14.942 69.548 0.00 0.00 -0.272 OA +ATOM 1196 N LEU 125 -34.826 15.851 71.393 0.00 0.00 -0.346 N +ATOM 1197 HN LEU 125 -35.200 15.678 72.326 1.00 0.00 0.163 HD +ATOM 1198 CA LEU 125 -34.748 17.215 70.908 0.00 0.00 0.177 C +ATOM 1199 C LEU 125 -33.324 17.756 70.728 0.00 0.00 0.241 C +ATOM 1200 O LEU 125 -33.099 18.614 69.854 0.00 0.00 -0.271 OA +ATOM 1201 CB LEU 125 -35.550 18.156 71.826 0.00 0.00 0.038 C +ATOM 1202 CG LEU 125 -35.600 19.625 71.402 0.00 0.00 -0.020 C +ATOM 1203 CD1 LEU 125 -36.275 19.780 70.037 0.00 0.00 0.009 C +ATOM 1204 CD2 LEU 125 -36.273 20.483 72.475 0.00 0.00 0.009 C +ATOM 1205 N LEU 126 -32.398 17.329 71.597 0.00 0.00 -0.346 N +ATOM 1206 HN LEU 126 -32.676 16.685 72.338 1.00 0.00 0.163 HD +ATOM 1207 CA LEU 126 -30.988 17.761 71.517 0.00 0.00 0.177 C +ATOM 1208 C LEU 126 -30.426 17.290 70.179 0.00 0.00 0.241 C +ATOM 1209 O LEU 126 -29.912 18.096 69.433 0.00 0.00 -0.271 OA +ATOM 1210 CB LEU 126 -30.143 17.210 72.681 0.00 0.00 0.038 C +ATOM 1211 CG LEU 126 -28.683 17.665 72.724 0.00 0.00 -0.020 C +ATOM 1212 CD1 LEU 126 -28.586 19.176 72.944 0.00 0.00 0.009 C +ATOM 1213 CD2 LEU 126 -27.895 16.881 73.775 0.00 0.00 0.009 C +ATOM 1214 N ALA 127 -30.633 16.014 69.847 0.00 0.00 -0.346 N +ATOM 1215 HN ALA 127 -31.140 15.423 70.506 1.00 0.00 0.163 HD +ATOM 1216 CA ALA 127 -30.174 15.410 68.588 0.00 0.00 0.172 C +ATOM 1217 C ALA 127 -30.642 16.123 67.319 0.00 0.00 0.240 C +ATOM 1218 O ALA 127 -29.888 16.241 66.334 0.00 0.00 -0.271 OA +ATOM 1219 CB ALA 127 -30.595 13.930 68.538 0.00 0.00 0.042 C +ATOM 1220 N ILE 128 -31.900 16.564 67.348 0.00 0.00 -0.346 N +ATOM 1221 HN ILE 128 -32.445 16.387 68.192 1.00 0.00 0.163 HD +ATOM 1222 CA ILE 128 -32.553 17.283 66.256 0.00 0.00 0.180 C +ATOM 1223 C ILE 128 -32.022 18.718 66.174 0.00 0.00 0.241 C +ATOM 1224 O ILE 128 -31.841 19.282 65.088 0.00 0.00 -0.271 OA +ATOM 1225 CB ILE 128 -34.073 17.293 66.502 0.00 0.00 0.013 C +ATOM 1226 CG1 ILE 128 -34.693 15.938 66.155 0.00 0.00 0.002 C +ATOM 1227 CG2 ILE 128 -34.744 18.441 65.745 0.00 0.00 0.012 C +ATOM 1228 CD1 ILE 128 -36.107 15.819 66.728 0.00 0.00 0.005 C +ATOM 1229 N CYS 129 -31.828 19.321 67.338 0.00 0.00 -0.345 N +ATOM 1230 HN CYS 129 -32.042 18.811 68.195 1.00 0.00 0.163 HD +ATOM 1231 CA CYS 129 -31.320 20.687 67.442 0.00 0.00 0.185 C +ATOM 1232 C CYS 129 -29.870 20.785 66.908 0.00 0.00 0.241 C +ATOM 1233 O CYS 129 -29.570 21.636 66.064 0.00 0.00 -0.271 OA +ATOM 1234 CB CYS 129 -31.396 21.141 68.912 0.00 0.00 0.105 C +ATOM 1235 SG CYS 129 -30.697 22.786 69.238 0.00 0.00 -0.180 SA +ATOM 1236 HSG CYS 129 -30.784 23.012 70.217 0.00 0.00 0.101 HD +ATOM 1237 N ILE 130 -29.007 19.876 67.369 0.00 0.00 -0.346 N +ATOM 1238 HN ILE 130 -29.333 19.202 68.062 1.00 0.00 0.163 HD +ATOM 1239 CA ILE 130 -27.614 19.805 66.924 0.00 0.00 0.180 C +ATOM 1240 C ILE 130 -27.592 19.714 65.392 0.00 0.00 0.241 C +ATOM 1241 O ILE 130 -26.929 20.507 64.728 0.00 0.00 -0.271 OA +ATOM 1242 CB ILE 130 -26.913 18.562 67.502 0.00 0.00 0.013 C +ATOM 1243 CG1 ILE 130 -26.590 18.754 68.985 0.00 0.00 0.002 C +ATOM 1244 CG2 ILE 130 -25.669 18.205 66.686 0.00 0.00 0.012 C +ATOM 1245 CD1 ILE 130 -25.812 17.558 69.537 0.00 0.00 0.005 C +ATOM 1246 N GLN 131 -28.387 18.799 64.835 0.00 0.00 -0.346 N +ATOM 1247 HN GLN 131 -28.967 18.214 65.436 1.00 0.00 0.163 HD +ATOM 1248 CA GLN 131 -28.449 18.612 63.391 0.00 0.00 0.177 C +ATOM 1249 C GLN 131 -28.892 19.844 62.661 0.00 0.00 0.241 C +ATOM 1250 O GLN 131 -28.413 20.128 61.573 0.00 0.00 -0.271 OA +ATOM 1251 CB GLN 131 -29.396 17.457 63.016 0.00 0.00 0.044 C +ATOM 1252 CG GLN 131 -28.801 16.107 63.421 0.00 0.00 0.105 C +ATOM 1253 CD GLN 131 -29.822 14.981 63.240 0.00 0.00 0.215 C +ATOM 1254 OE1 GLN 131 -30.105 14.535 62.141 0.00 0.00 -0.274 OA +ATOM 1255 NE2 GLN 131 -30.357 14.550 64.379 0.00 0.00 -0.370 N +ATOM 1256 1HE2 GLN 131 -30.120 14.923 65.298 1.00 0.00 0.159 HD +ATOM 1257 2HE2 GLN 131 -31.037 13.800 64.258 1.00 0.00 0.159 HD +ATOM 1258 N HIZ 132 -29.793 20.599 63.266 0.00 0.00 -0.346 N +ATOM 1259 HN HIZ 132 -30.121 20.339 64.196 1.00 0.00 0.163 HD +ATOM 1260 CA HIZ 132 -30.323 21.790 62.631 0.00 0.00 0.182 C +ATOM 1261 C HIZ 132 -29.308 22.952 62.674 0.00 0.00 0.241 C +ATOM 1262 O HIZ 132 -29.212 23.745 61.730 0.00 0.00 -0.271 OA +ATOM 1263 CB HIZ 132 -31.675 22.091 63.304 0.00 0.00 0.093 C +ATOM 1264 CG HIZ 132 -32.164 23.504 63.095 0.00 0.00 0.028 A +ATOM 1265 ND1 HIZ 132 -33.326 23.801 62.403 0.00 0.00 -0.354 N +ATOM 1266 HD1 HIZ 132 -33.956 23.122 61.975 1.00 0.00 0.166 HD +ATOM 1267 CD2 HIZ 132 -31.638 24.698 63.494 0.00 0.00 0.114 A +ATOM 1268 CE1 HIZ 132 -33.481 25.117 62.392 0.00 0.00 0.180 A +ATOM 1269 NE2 HIZ 132 -32.434 25.671 63.068 0.00 0.00 -0.360 N +ATOM 1270 HE2 HIZ 132 -32.287 26.669 63.221 1.00 0.00 0.166 HD +ATOM 1271 N GLU 133 -28.560 23.063 63.769 0.00 0.00 -0.346 N +ATOM 1272 HN GLU 133 -28.693 22.409 64.540 1.00 0.00 0.163 HD +ATOM 1273 CA GLU 133 -27.546 24.117 63.877 0.00 0.00 0.177 C +ATOM 1274 C GLU 133 -26.351 23.807 62.936 0.00 0.00 0.241 C +ATOM 1275 O GLU 133 -25.948 24.668 62.153 0.00 0.00 -0.271 OA +ATOM 1276 CB GLU 133 -27.042 24.272 65.324 0.00 0.00 0.045 C +ATOM 1277 CG GLU 133 -28.208 24.497 66.289 0.00 0.00 0.116 C +ATOM 1278 CD GLU 133 -29.074 25.674 65.838 0.00 0.00 0.172 C +ATOM 1279 OE1 GLU 133 -28.760 26.325 64.830 0.00 0.00 -0.648 OA +ATOM 1280 OE2 GLU 133 -30.108 25.905 66.574 0.00 0.00 -0.648 OA +ATOM 1281 N MET 134 -25.840 22.573 62.998 0.00 0.00 -0.346 N +ATOM 1282 HN MET 134 -26.232 21.916 63.673 1.00 0.00 0.163 HD +ATOM 1283 CA MET 134 -24.738 22.121 62.136 0.00 0.00 0.177 C +ATOM 1284 C MET 134 -25.081 22.366 60.669 0.00 0.00 0.241 C +ATOM 1285 O MET 134 -24.222 22.810 59.890 0.00 0.00 -0.271 OA +ATOM 1286 CB MET 134 -24.405 20.639 62.387 0.00 0.00 0.045 C +ATOM 1287 CG MET 134 -23.651 20.462 63.706 0.00 0.00 0.076 C +ATOM 1288 SD MET 134 -23.003 18.769 63.831 0.00 0.00 -0.173 SA +ATOM 1289 CE MET 134 -21.860 18.763 62.418 0.00 0.00 0.089 C +ATOM 1290 N ASP 135 -26.353 22.163 60.302 0.00 0.00 -0.346 N +ATOM 1291 HN ASP 135 -27.028 21.832 60.991 1.00 0.00 0.163 HD +ATOM 1292 CA ASP 135 -26.788 22.409 58.925 0.00 0.00 0.186 C +ATOM 1293 C ASP 135 -26.551 23.868 58.576 0.00 0.00 0.241 C +ATOM 1294 O ASP 135 -26.255 24.223 57.440 0.00 0.00 -0.271 OA +ATOM 1295 CB ASP 135 -28.289 22.118 58.744 0.00 0.00 0.147 C +ATOM 1296 CG ASP 135 -28.626 20.680 58.346 0.00 0.00 0.175 C +ATOM 1297 OD1 ASP 135 -27.748 19.805 58.311 0.00 0.00 -0.648 OA +ATOM 1298 OD2 ASP 135 -29.866 20.469 58.060 0.00 0.00 -0.648 OA +ATOM 1299 N HIZ 136 -26.726 24.725 59.559 0.00 0.00 -0.346 N +ATOM 1300 HN HIZ 136 -26.996 24.384 60.482 1.00 0.00 0.163 HD +ATOM 1301 CA HIZ 136 -26.541 26.139 59.349 0.00 0.00 0.182 C +ATOM 1302 C HIZ 136 -25.130 26.513 58.934 0.00 0.00 0.241 C +ATOM 1303 O HIZ 136 -24.947 27.291 57.995 0.00 0.00 -0.271 OA +ATOM 1304 CB HIZ 136 -26.961 26.917 60.610 0.00 0.00 0.093 C +ATOM 1305 CG HIZ 136 -28.357 27.488 60.542 0.00 0.00 0.028 A +ATOM 1306 ND1 HIZ 136 -28.767 28.350 59.540 0.00 0.00 -0.354 N +ATOM 1307 HD1 HIZ 136 -28.192 28.681 58.766 1.00 0.00 0.166 HD +ATOM 1308 CD2 HIZ 136 -29.433 27.311 61.362 0.00 0.00 0.114 A +ATOM 1309 CE1 HIZ 136 -30.034 28.672 59.757 0.00 0.00 0.180 A +ATOM 1310 NE2 HIZ 136 -30.445 28.027 60.887 0.00 0.00 -0.360 N +ATOM 1311 HE2 HIZ 136 -31.376 28.085 61.299 1.00 0.00 0.166 HD +ATOM 1312 N LEU 137 -24.144 25.922 59.603 0.00 0.00 -0.346 N +ATOM 1313 HN LEU 137 -24.381 25.250 60.333 1.00 0.00 0.163 HD +ATOM 1314 CA LEU 137 -22.729 26.198 59.333 0.00 0.00 0.177 C +ATOM 1315 C LEU 137 -22.310 25.822 57.916 0.00 0.00 0.241 C +ATOM 1316 O LEU 137 -21.278 26.253 57.436 0.00 0.00 -0.271 OA +ATOM 1317 CB LEU 137 -21.842 25.483 60.369 0.00 0.00 0.038 C +ATOM 1318 CG LEU 137 -22.058 25.887 61.829 0.00 0.00 -0.020 C +ATOM 1319 CD1 LEU 137 -21.296 24.956 62.774 0.00 0.00 0.009 C +ATOM 1320 CD2 LEU 137 -21.690 27.355 62.052 0.00 0.00 0.009 C +ATOM 1321 N VAL 138 -23.125 25.017 57.246 0.00 0.00 -0.346 N +ATOM 1322 HN VAL 138 -23.968 24.670 57.703 1.00 0.00 0.163 HD +ATOM 1323 CA VAL 138 -22.848 24.620 55.885 0.00 0.00 0.180 C +ATOM 1324 C VAL 138 -23.847 25.244 54.898 0.00 0.00 0.241 C +ATOM 1325 O VAL 138 -24.026 24.746 53.793 0.00 0.00 -0.271 OA +ATOM 1326 CB VAL 138 -22.748 23.091 55.731 0.00 0.00 0.009 C +ATOM 1327 CG1 VAL 138 -21.576 22.534 56.541 0.00 0.00 0.012 C +ATOM 1328 CG2 VAL 138 -24.061 22.413 56.128 0.00 0.00 0.012 C +ATOM 1329 N GLY 139 -24.452 26.363 55.293 0.00 0.00 -0.351 N +ATOM 1330 HN GLY 139 -24.242 26.741 56.217 1.00 0.00 0.163 HD +ATOM 1331 CA GLY 139 -25.407 27.063 54.441 0.00 0.00 0.225 C +ATOM 1332 C GLY 139 -26.700 26.327 54.098 0.00 0.00 0.236 C +ATOM 1333 O GLY 139 -27.301 26.594 53.057 0.00 0.00 -0.272 OA +ATOM 1334 N LYS 140 -27.131 25.421 54.978 0.00 0.00 -0.346 N +ATOM 1335 HN LYS 140 -26.594 25.274 55.833 1.00 0.00 0.163 HD +ATOM 1336 CA LYS 140 -28.341 24.633 54.764 0.00 0.00 0.176 C +ATOM 1337 C LYS 140 -29.430 25.007 55.768 0.00 0.00 0.241 C +ATOM 1338 O LYS 140 -29.159 25.266 56.943 0.00 0.00 -0.271 OA +ATOM 1339 CB LYS 140 -28.026 23.128 54.854 0.00 0.00 0.035 C +ATOM 1340 CG LYS 140 -29.222 22.290 54.400 0.00 0.00 0.004 C +ATOM 1341 CD LYS 140 -28.974 20.800 54.649 0.00 0.00 0.027 C +ATOM 1342 CE LYS 140 -27.912 20.254 53.693 0.00 0.00 0.229 C +ATOM 1343 NZ LYS 140 -27.890 18.783 53.733 0.00 0.00 -0.079 N +ATOM 1344 HZ1 LYS 140 -27.182 18.419 53.096 1.00 0.00 0.274 HD +ATOM 1345 HZ2 LYS 140 -28.810 18.385 53.545 1.00 0.00 0.274 HD +ATOM 1346 HZ3 LYS 140 -27.763 18.431 54.682 1.00 0.00 0.274 HD +ATOM 1347 N LEU 141 -30.666 25.049 55.274 0.00 0.00 -0.346 N +ATOM 1348 HN LEU 141 -30.807 24.812 54.292 1.00 0.00 0.163 HD +ATOM 1349 CA LEU 141 -31.828 25.420 56.076 0.00 0.00 0.177 C +ATOM 1350 C LEU 141 -32.853 24.277 56.030 0.00 0.00 0.241 C +ATOM 1351 O LEU 141 -32.900 23.545 55.039 0.00 0.00 -0.271 OA +ATOM 1352 CB LEU 141 -32.418 26.721 55.500 0.00 0.00 0.038 C +ATOM 1353 CG LEU 141 -31.449 27.898 55.373 0.00 0.00 -0.020 C +ATOM 1354 CD1 LEU 141 -32.082 29.046 54.584 0.00 0.00 0.009 C +ATOM 1355 CD2 LEU 141 -30.954 28.352 56.747 0.00 0.00 0.009 C +ATOM 1356 N PHE 142 -33.656 24.113 57.090 0.00 0.00 -0.346 N +ATOM 1357 HN PHE 142 -33.570 24.759 57.875 1.00 0.00 0.163 HD +ATOM 1358 CA PHE 142 -34.666 23.027 57.165 0.00 0.00 0.180 C +ATOM 1359 C PHE 142 -35.662 22.911 55.979 0.00 0.00 0.241 C +ATOM 1360 O PHE 142 -36.063 21.799 55.569 0.00 0.00 -0.271 OA +ATOM 1361 CB PHE 142 -35.395 23.039 58.521 0.00 0.00 0.073 C +ATOM 1362 CG PHE 142 -36.524 24.055 58.626 0.00 0.00 -0.056 A +ATOM 1363 CD1 PHE 142 -37.749 23.835 57.953 0.00 0.00 0.007 A +ATOM 1364 CD2 PHE 142 -36.351 25.230 59.394 0.00 0.00 0.007 A +ATOM 1365 CE1 PHE 142 -38.791 24.782 58.050 0.00 0.00 0.001 A +ATOM 1366 CE2 PHE 142 -37.394 26.176 59.490 0.00 0.00 0.001 A +ATOM 1367 CZ PHE 142 -38.614 25.952 58.818 0.00 0.00 0.000 A +ATOM 1368 N MET 143 -36.014 24.051 55.389 0.00 0.00 -0.346 N +ATOM 1369 HN MET 143 -35.638 24.934 55.733 1.00 0.00 0.163 HD +ATOM 1370 CA MET 143 -36.923 24.051 54.266 0.00 0.00 0.177 C +ATOM 1371 C MET 143 -36.339 23.390 53.015 0.00 0.00 0.241 C +ATOM 1372 O MET 143 -37.100 22.941 52.156 0.00 0.00 -0.271 OA +ATOM 1373 CB MET 143 -37.422 25.478 53.972 0.00 0.00 0.045 C +ATOM 1374 CG MET 143 -36.261 26.397 53.587 0.00 0.00 0.076 C +ATOM 1375 SD MET 143 -36.891 28.041 53.140 0.00 0.00 -0.173 SA +ATOM 1376 CE MET 143 -37.862 27.616 51.664 0.00 0.00 0.089 C +ATOM 1377 N ASP 144 -35.009 23.240 52.951 0.00 0.00 -0.346 N +ATOM 1378 HN ASP 144 -34.437 23.572 53.728 1.00 0.00 0.163 HD +ATOM 1379 CA ASP 144 -34.342 22.609 51.791 0.00 0.00 0.186 C +ATOM 1380 C ASP 144 -34.730 21.158 51.698 0.00 0.00 0.241 C +ATOM 1381 O ASP 144 -34.539 20.521 50.659 0.00 0.00 -0.271 OA +ATOM 1382 CB ASP 144 -32.807 22.652 51.903 0.00 0.00 0.147 C +ATOM 1383 CG ASP 144 -32.198 24.056 51.915 0.00 0.00 0.175 C +ATOM 1384 OD1 ASP 144 -32.771 25.005 51.359 0.00 0.00 -0.648 OA +ATOM 1385 OD2 ASP 144 -31.072 24.156 52.535 0.00 0.00 -0.648 OA +ATOM 1386 N TYR 145 -35.199 20.626 52.822 0.00 0.00 -0.346 N +ATOM 1387 HN TYR 145 -35.255 21.218 53.651 1.00 0.00 0.163 HD +ATOM 1388 CA TYR 145 -35.640 19.233 52.932 0.00 0.00 0.180 C +ATOM 1389 C TYR 145 -37.030 19.017 52.337 0.00 0.00 0.241 C +ATOM 1390 O TYR 145 -37.394 17.898 51.978 0.00 0.00 -0.271 OA +ATOM 1391 CB TYR 145 -35.676 18.809 54.412 0.00 0.00 0.073 C +ATOM 1392 CG TYR 145 -34.309 18.542 55.026 0.00 0.00 -0.056 A +ATOM 1393 CD1 TYR 145 -33.726 19.479 55.910 0.00 0.00 0.010 A +ATOM 1394 CD2 TYR 145 -33.611 17.354 54.708 0.00 0.00 0.010 A +ATOM 1395 CE1 TYR 145 -32.457 19.228 56.474 0.00 0.00 0.037 A +ATOM 1396 CE2 TYR 145 -32.342 17.103 55.272 0.00 0.00 0.037 A +ATOM 1397 CZ TYR 145 -31.764 18.039 56.156 0.00 0.00 0.065 A +ATOM 1398 OH TYR 145 -30.535 17.792 56.700 0.00 0.00 -0.361 OA +ATOM 1399 HOH TYR 145 -30.297 18.516 57.267 0.00 0.00 0.217 HD +ATOM 1400 N LEU 146 -37.789 20.103 52.250 0.00 0.00 -0.346 N +ATOM 1401 HN LEU 146 -37.390 20.995 52.541 1.00 0.00 0.163 HD +ATOM 1402 CA LEU 146 -39.165 20.088 51.760 0.00 0.00 0.177 C +ATOM 1403 C LEU 146 -39.327 20.064 50.226 0.00 0.00 0.241 C +ATOM 1404 O LEU 146 -38.355 20.255 49.471 0.00 0.00 -0.271 OA +ATOM 1405 CB LEU 146 -39.933 21.258 52.403 0.00 0.00 0.038 C +ATOM 1406 CG LEU 146 -39.693 21.477 53.898 0.00 0.00 -0.020 C +ATOM 1407 CD1 LEU 146 -40.519 22.655 54.419 0.00 0.00 0.009 C +ATOM 1408 CD2 LEU 146 -39.959 20.196 54.690 0.00 0.00 0.009 C +ATOM 1409 N SER 147 -40.548 19.763 49.775 0.00 0.00 -0.344 N +ATOM 1410 HN SER 147 -41.288 19.574 50.451 1.00 0.00 0.163 HD +ATOM 1411 CA SER 147 -40.863 19.695 48.349 0.00 0.00 0.200 C +ATOM 1412 C SER 147 -40.856 21.104 47.766 0.00 0.00 0.249 C +ATOM 1413 O SER 147 -40.978 22.087 48.508 0.00 0.00 -0.271 OA +ATOM 1414 CB SER 147 -42.255 19.070 48.140 0.00 0.00 0.199 C +ATOM 1415 OG SER 147 -43.302 20.007 48.380 0.00 0.00 -0.398 OA +ATOM 1416 HOG SER 147 -44.138 19.579 48.240 0.00 0.00 0.209 HD +ATOM 1417 N PRO 148 -40.762 21.220 46.426 0.00 0.00 -0.315 N +ATOM 1418 CA PRO 148 -40.745 22.519 45.737 0.00 0.00 0.082 C +ATOM 1419 C PRO 148 -41.975 23.350 46.082 0.00 0.00 0.265 C +ATOM 1420 O PRO 148 -41.870 24.544 46.357 0.00 0.00 -0.266 OA +ATOM 1421 CB PRO 148 -40.173 22.305 44.419 0.00 0.00 0.065 C +ATOM 1422 CG PRO 148 -40.314 20.815 44.153 0.00 0.00 0.026 C +ATOM 1423 CD PRO 148 -40.634 20.134 45.474 0.00 0.00 0.132 C +ATOM 1424 N LEU 149 -43.133 22.696 46.120 0.00 0.00 -0.343 N +ATOM 1425 HN LEU 149 -43.144 21.695 45.926 1.00 0.00 0.163 HD +ATOM 1426 CA LEU 149 -44.387 23.372 46.431 0.00 0.00 0.177 C +ATOM 1427 C LEU 149 -44.411 23.891 47.865 0.00 0.00 0.241 C +ATOM 1428 O LEU 149 -44.881 25.002 48.113 0.00 0.00 -0.271 OA +ATOM 1429 CB LEU 149 -45.589 22.440 46.188 0.00 0.00 0.038 C +ATOM 1430 CG LEU 149 -45.587 21.674 44.864 0.00 0.00 -0.020 C +ATOM 1431 CD1 LEU 149 -45.140 20.225 45.069 0.00 0.00 0.009 C +ATOM 1432 CD2 LEU 149 -46.952 21.761 44.178 0.00 0.00 0.009 C +ATOM 1433 N LYS 150 -43.918 23.095 48.814 0.00 0.00 -0.346 N +ATOM 1434 HN LYS 150 -43.544 22.178 48.571 1.00 0.00 0.163 HD +ATOM 1435 CA LYS 150 -43.917 23.544 50.201 0.00 0.00 0.176 C +ATOM 1436 C LYS 150 -42.913 24.654 50.389 0.00 0.00 0.241 C +ATOM 1437 O LYS 150 -43.158 25.614 51.118 0.00 0.00 -0.271 OA +ATOM 1438 CB LYS 150 -43.581 22.405 51.181 0.00 0.00 0.035 C +ATOM 1439 CG LYS 150 -44.091 22.722 52.587 0.00 0.00 0.004 C +ATOM 1440 CD LYS 150 -45.595 22.464 52.696 0.00 0.00 0.027 C +ATOM 1441 CE LYS 150 -45.924 21.002 52.385 0.00 0.00 0.229 C +ATOM 1442 NZ LYS 150 -47.380 20.786 52.406 0.00 0.00 -0.079 N +ATOM 1443 HZ1 LYS 150 -47.599 19.812 52.199 1.00 0.00 0.274 HD +ATOM 1444 HZ2 LYS 150 -47.868 21.426 51.779 1.00 0.00 0.274 HD +ATOM 1445 HZ3 LYS 150 -47.796 21.089 53.287 1.00 0.00 0.274 HD +ATOM 1446 N GLN 151 -41.755 24.490 49.759 0.00 0.00 -0.346 N +ATOM 1447 HN GLN 151 -41.600 23.640 49.216 1.00 0.00 0.163 HD +ATOM 1448 CA GLN 151 -40.706 25.489 49.824 0.00 0.00 0.177 C +ATOM 1449 C GLN 151 -41.294 26.750 49.262 0.00 0.00 0.241 C +ATOM 1450 O GLN 151 -41.068 27.825 49.795 0.00 0.00 -0.271 OA +ATOM 1451 CB GLN 151 -39.488 25.078 48.976 0.00 0.00 0.044 C +ATOM 1452 CG GLN 151 -38.764 23.883 49.599 0.00 0.00 0.105 C +ATOM 1453 CD GLN 151 -37.311 23.814 49.125 0.00 0.00 0.215 C +ATOM 1454 OE1 GLN 151 -36.587 24.796 49.113 0.00 0.00 -0.274 OA +ATOM 1455 NE2 GLN 151 -36.926 22.602 48.736 0.00 0.00 -0.370 N +ATOM 1456 1HE2 GLN 151 -37.531 21.781 48.746 1.00 0.00 0.159 HD +ATOM 1457 2HE2 GLN 151 -35.957 22.556 48.420 1.00 0.00 0.159 HD +ATOM 1458 N GLN 152 -42.084 26.606 48.203 0.00 0.00 -0.346 N +ATOM 1459 HN GLN 152 -42.241 25.675 47.817 1.00 0.00 0.163 HD +ATOM 1460 CA GLN 152 -42.731 27.758 47.583 0.00 0.00 0.177 C +ATOM 1461 C GLN 152 -43.705 28.465 48.538 0.00 0.00 0.241 C +ATOM 1462 O GLN 152 -43.699 29.700 48.651 0.00 0.00 -0.271 OA +ATOM 1463 CB GLN 152 -43.482 27.333 46.307 0.00 0.00 0.044 C +ATOM 1464 CG GLN 152 -44.199 28.525 45.670 0.00 0.00 0.105 C +ATOM 1465 CD GLN 152 -45.212 28.060 44.622 0.00 0.00 0.215 C +ATOM 1466 OE1 GLN 152 -45.427 26.877 44.412 0.00 0.00 -0.274 OA +ATOM 1467 NE2 GLN 152 -45.820 29.052 43.980 0.00 0.00 -0.370 N +ATOM 1468 1HE2 GLN 152 -45.640 30.041 44.155 1.00 0.00 0.159 HD +ATOM 1469 2HE2 GLN 152 -46.495 28.742 43.281 1.00 0.00 0.159 HD +ATOM 1470 N ARG 153 -44.541 27.679 49.215 0.00 0.00 -0.346 N +ATOM 1471 HN ARG 153 -44.504 26.671 49.063 1.00 0.00 0.163 HD +ATOM 1472 CA ARG 153 -45.511 28.215 50.170 0.00 0.00 0.176 C +ATOM 1473 C ARG 153 -44.812 28.885 51.365 0.00 0.00 0.241 C +ATOM 1474 O ARG 153 -45.277 29.916 51.859 0.00 0.00 -0.271 OA +ATOM 1475 CB ARG 153 -46.470 27.107 50.645 0.00 0.00 0.036 C +ATOM 1476 CG ARG 153 -47.167 26.440 49.457 0.00 0.00 0.023 C +ATOM 1477 CD ARG 153 -48.119 25.339 49.929 0.00 0.00 0.138 C +ATOM 1478 NE ARG 153 -48.780 24.709 48.765 0.00 0.00 -0.227 N +ATOM 1479 HE ARG 153 -48.543 25.055 47.835 1.00 0.00 0.177 HD +ATOM 1480 CZ ARG 153 -49.678 23.704 48.856 0.00 0.00 0.665 C +ATOM 1481 NH1 ARG 153 -50.005 23.233 50.067 0.00 0.00 -0.235 N +ATOM 1482 1HH1 ARG 153 -49.582 23.627 50.907 1.00 0.00 0.174 HD +ATOM 1483 2HH1 ARG 153 -50.683 22.474 50.136 1.00 0.00 0.174 HD +ATOM 1484 NH2 ARG 153 -50.233 23.186 47.752 0.00 0.00 -0.235 N +ATOM 1485 1HH2 ARG 153 -49.984 23.545 46.830 1.00 0.00 0.174 HD +ATOM 1486 2HH2 ARG 153 -50.911 22.427 47.821 1.00 0.00 0.174 HD +ATOM 1487 N ILE 154 -43.699 28.308 51.824 0.00 0.00 -0.346 N +ATOM 1488 HN ILE 154 -43.368 27.447 51.389 1.00 0.00 0.163 HD +ATOM 1489 CA ILE 154 -42.942 28.884 52.939 0.00 0.00 0.180 C +ATOM 1490 C ILE 154 -42.393 30.250 52.524 0.00 0.00 0.241 C +ATOM 1491 O ILE 154 -42.532 31.236 53.256 0.00 0.00 -0.271 OA +ATOM 1492 CB ILE 154 -41.753 27.997 53.354 0.00 0.00 0.013 C +ATOM 1493 CG1 ILE 154 -42.232 26.622 53.823 0.00 0.00 0.002 C +ATOM 1494 CG2 ILE 154 -40.890 28.694 54.407 0.00 0.00 0.012 C +ATOM 1495 CD1 ILE 154 -41.051 25.740 54.232 0.00 0.00 0.005 C +ATOM 1496 N ARG 155 -41.783 30.289 51.341 0.00 0.00 -0.346 N +ATOM 1497 HN ARG 155 -41.717 29.427 50.799 1.00 0.00 0.163 HD +ATOM 1498 CA ARG 155 -41.205 31.506 50.784 0.00 0.00 0.176 C +ATOM 1499 C ARG 155 -42.245 32.614 50.654 0.00 0.00 0.241 C +ATOM 1500 O ARG 155 -41.978 33.758 51.034 0.00 0.00 -0.271 OA +ATOM 1501 CB ARG 155 -40.575 31.235 49.405 0.00 0.00 0.036 C +ATOM 1502 CG ARG 155 -39.318 30.373 49.536 0.00 0.00 0.023 C +ATOM 1503 CD ARG 155 -38.663 30.148 48.172 0.00 0.00 0.138 C +ATOM 1504 NE ARG 155 -39.446 29.165 47.391 0.00 0.00 -0.227 N +ATOM 1505 HE ARG 155 -39.432 28.192 47.696 1.00 0.00 0.177 HD +ATOM 1506 CZ ARG 155 -40.178 29.476 46.300 0.00 0.00 0.665 C +ATOM 1507 NH1 ARG 155 -40.213 30.749 45.882 0.00 0.00 -0.235 N +ATOM 1508 1HH1 ARG 155 -40.766 30.984 45.058 1.00 0.00 0.174 HD +ATOM 1509 2HH1 ARG 155 -39.693 31.472 46.380 1.00 0.00 0.174 HD +ATOM 1510 NH2 ARG 155 -40.861 28.527 45.646 0.00 0.00 -0.235 N +ATOM 1511 1HH2 ARG 155 -41.414 28.762 44.822 1.00 0.00 0.174 HD +ATOM 1512 2HH2 ARG 155 -40.834 27.558 45.964 1.00 0.00 0.174 HD +ATOM 1513 N GLN 156 -43.422 32.271 50.124 0.00 0.00 -0.346 N +ATOM 1514 HN GLN 156 -43.567 31.301 49.843 1.00 0.00 0.163 HD +ATOM 1515 CA GLN 156 -44.519 33.234 49.928 0.00 0.00 0.177 C +ATOM 1516 C GLN 156 -45.189 33.721 51.220 0.00 0.00 0.241 C +ATOM 1517 O GLN 156 -45.706 34.841 51.269 0.00 0.00 -0.271 OA +ATOM 1518 CB GLN 156 -45.575 32.653 48.969 0.00 0.00 0.044 C +ATOM 1519 CG GLN 156 -44.966 32.359 47.596 0.00 0.00 0.105 C +ATOM 1520 CD GLN 156 -46.000 31.729 46.662 0.00 0.00 0.215 C +ATOM 1521 OE1 GLN 156 -47.116 31.420 47.046 0.00 0.00 -0.274 OA +ATOM 1522 NE2 GLN 156 -45.569 31.555 45.416 0.00 0.00 -0.370 N +ATOM 1523 1HE2 GLN 156 -44.636 31.813 45.095 1.00 0.00 0.159 HD +ATOM 1524 2HE2 GLN 156 -46.259 31.135 44.793 1.00 0.00 0.159 HD +ATOM 1525 N LYS 157 -45.192 32.871 52.250 0.00 0.00 -0.346 N +ATOM 1526 HN LYS 157 -44.774 31.949 52.124 1.00 0.00 0.163 HD +ATOM 1527 CA LYS 157 -45.769 33.205 53.551 0.00 0.00 0.176 C +ATOM 1528 C LYS 157 -44.822 34.094 54.338 0.00 0.00 0.241 C +ATOM 1529 O LYS 157 -45.253 34.976 55.083 0.00 0.00 -0.271 OA +ATOM 1530 CB LYS 157 -46.068 31.928 54.358 0.00 0.00 0.035 C +ATOM 1531 CG LYS 157 -47.271 31.182 53.778 0.00 0.00 0.004 C +ATOM 1532 CD LYS 157 -47.618 29.957 54.627 0.00 0.00 0.027 C +ATOM 1533 CE LYS 157 -48.849 29.237 54.073 0.00 0.00 0.229 C +ATOM 1534 NZ LYS 157 -50.024 30.123 54.110 0.00 0.00 -0.079 N +ATOM 1535 HZ1 LYS 157 -50.845 29.643 53.741 1.00 0.00 0.274 HD +ATOM 1536 HZ2 LYS 157 -49.850 31.004 53.626 1.00 0.00 0.274 HD +ATOM 1537 HZ3 LYS 157 -50.190 30.494 55.046 1.00 0.00 0.274 HD +ATOM 1538 N VAL 158 -43.527 33.823 54.209 0.00 0.00 -0.346 N +ATOM 1539 HN VAL 158 -43.235 33.039 53.626 1.00 0.00 0.163 HD +ATOM 1540 CA VAL 158 -42.520 34.625 54.884 0.00 0.00 0.180 C +ATOM 1541 C VAL 158 -42.588 36.016 54.256 0.00 0.00 0.241 C +ATOM 1542 O VAL 158 -42.689 37.017 54.958 0.00 0.00 -0.271 OA +ATOM 1543 CB VAL 158 -41.109 34.034 54.706 0.00 0.00 0.009 C +ATOM 1544 CG1 VAL 158 -40.049 34.955 55.314 0.00 0.00 0.012 C +ATOM 1545 CG2 VAL 158 -41.024 32.629 55.305 0.00 0.00 0.012 C +ATOM 1546 N GLU 159 -42.659 36.055 52.928 0.00 0.00 -0.346 N +ATOM 1547 HN GLU 159 -42.678 35.174 52.415 1.00 0.00 0.163 HD +ATOM 1548 CA GLU 159 -42.711 37.309 52.169 0.00 0.00 0.177 C +ATOM 1549 C GLU 159 -43.880 38.259 52.462 0.00 0.00 0.241 C +ATOM 1550 O GLU 159 -43.944 39.348 51.891 0.00 0.00 -0.271 OA +ATOM 1551 CB GLU 159 -42.627 37.021 50.658 0.00 0.00 0.045 C +ATOM 1552 CG GLU 159 -41.466 36.075 50.345 0.00 0.00 0.116 C +ATOM 1553 CD GLU 159 -41.382 35.789 48.844 0.00 0.00 0.172 C +ATOM 1554 OE1 GLU 159 -42.198 36.308 48.067 0.00 0.00 -0.648 OA +ATOM 1555 OE2 GLU 159 -40.427 34.998 48.492 0.00 0.00 -0.648 OA +ATOM 1556 N LYS 160 -44.805 37.854 53.327 0.00 0.00 -0.346 N +ATOM 1557 HN LYS 160 -44.720 36.931 53.753 1.00 0.00 0.163 HD +ATOM 1558 CA LYS 160 -45.940 38.702 53.680 0.00 0.00 0.176 C +ATOM 1559 C LYS 160 -45.612 39.467 54.957 0.00 0.00 0.241 C +ATOM 1560 O LYS 160 -46.185 40.517 55.229 0.00 0.00 -0.271 OA +ATOM 1561 CB LYS 160 -47.202 37.842 53.878 0.00 0.00 0.035 C +ATOM 1562 CG LYS 160 -47.544 37.068 52.604 0.00 0.00 0.004 C +ATOM 1563 CD LYS 160 -48.798 36.213 52.801 0.00 0.00 0.027 C +ATOM 1564 CE LYS 160 -49.139 35.439 51.526 0.00 0.00 0.229 C +ATOM 1565 NZ LYS 160 -50.346 34.621 51.728 0.00 0.00 -0.079 N +ATOM 1566 HZ1 LYS 160 -50.573 34.105 50.878 1.00 0.00 0.274 HD +ATOM 1567 HZ2 LYS 160 -51.134 35.181 52.054 1.00 0.00 0.274 HD +ATOM 1568 HZ3 LYS 160 -50.255 34.003 52.534 1.00 0.00 0.274 HD +ATOM 1569 N LEU 161 -44.649 38.946 55.709 0.00 0.00 -0.346 N +ATOM 1570 HN LEU 161 -44.188 38.093 55.393 1.00 0.00 0.163 HD +ATOM 1571 CA LEU 161 -44.226 39.544 56.964 0.00 0.00 0.177 C +ATOM 1572 C LEU 161 -42.926 40.355 56.801 0.00 0.00 0.241 C +ATOM 1573 O LEU 161 -42.765 41.053 55.797 0.00 0.00 -0.271 OA +ATOM 1574 CB LEU 161 -44.091 38.449 58.039 0.00 0.00 0.038 C +ATOM 1575 CG LEU 161 -45.332 37.586 58.277 0.00 0.00 -0.020 C +ATOM 1576 CD1 LEU 161 -45.072 36.540 59.363 0.00 0.00 0.009 C +ATOM 1577 CD2 LEU 161 -46.550 38.454 58.597 0.00 0.00 0.009 C +ATOM 1578 N ASP 162 -42.022 40.266 57.791 0.00 0.00 -0.346 N +ATOM 1579 HN ASP 162 -42.248 39.649 58.571 1.00 0.00 0.163 HD +ATOM 1580 CA ASP 162 -40.719 40.987 57.854 0.00 0.00 0.186 C +ATOM 1581 C ASP 162 -40.869 42.518 57.954 0.00 0.00 0.241 C +ATOM 1582 O ASP 162 -39.928 43.243 58.297 0.00 0.00 -0.271 OA +ATOM 1583 CB ASP 162 -39.754 40.586 56.723 0.00 0.00 0.147 C +ATOM 1584 CG ASP 162 -38.765 39.475 57.080 0.00 0.00 0.175 C +ATOM 1585 OD1 ASP 162 -38.611 39.110 58.255 0.00 0.00 -0.648 OA +ATOM 1586 OD2 ASP 162 -38.128 38.969 56.079 0.00 0.00 -0.648 OA +ATOM 1587 N ARG 163 -42.084 42.974 57.676 0.00 0.00 -0.346 N +ATOM 1588 HN ARG 163 -42.788 42.291 57.397 1.00 0.00 0.163 HD +ATOM 1589 CA ARG 163 -42.493 44.365 57.736 0.00 0.00 0.176 C +ATOM 1590 C ARG 163 -43.376 44.331 58.991 0.00 0.00 0.240 C +ATOM 1591 O ARG 163 -42.915 43.878 60.045 0.00 0.00 -0.271 OA +ATOM 1592 CB ARG 163 -43.311 44.688 56.472 0.00 0.00 0.036 C +ATOM 1593 CG ARG 163 -44.349 43.598 56.197 0.00 0.00 0.023 C +ATOM 1594 CD ARG 163 -45.027 43.815 54.843 0.00 0.00 0.138 C +ATOM 1595 NE ARG 163 -44.087 43.488 53.747 0.00 0.00 -0.227 N +ATOM 1596 HE ARG 163 -43.093 43.657 53.904 1.00 0.00 0.177 HD +ATOM 1597 CZ ARG 163 -44.462 42.981 52.554 0.00 0.00 0.665 C +ATOM 1598 NH1 ARG 163 -45.763 42.752 52.325 0.00 0.00 -0.235 N +ATOM 1599 1HH1 ARG 163 -46.046 42.369 51.423 1.00 0.00 0.174 HD +ATOM 1600 2HH1 ARG 163 -46.458 42.958 53.042 1.00 0.00 0.174 HD +ATOM 1601 NH2 ARG 163 -43.549 42.711 51.612 0.00 0.00 -0.235 N +ATOM 1602 1HH2 ARG 163 -43.832 42.328 50.710 1.00 0.00 0.174 HD +ATOM 1603 2HH2 ARG 163 -42.559 42.885 51.786 1.00 0.00 0.174 HD +ATOM 1604 N LEU 164 -44.640 44.734 58.874 0.00 0.00 -0.353 N +ATOM 1605 HN LEU 164 -44.982 45.073 57.975 1.00 0.00 0.163 HD +ATOM 1606 CA LEU 164 -45.537 44.694 60.018 0.00 0.00 0.108 C +ATOM 1607 C LEU 164 -45.581 45.946 60.874 0.00 0.00 0.192 C +ATOM 1608 O LEU 164 -46.054 45.862 62.029 0.00 0.00 -0.389 OA +ATOM 1609 CB LEU 164 -45.120 43.511 60.912 0.00 0.00 0.033 C +ATOM 1610 CG LEU 164 -45.953 43.302 62.179 0.00 0.00 0.007 C +ATOM 1611 CD1 LEU 164 -45.442 42.102 62.978 0.00 0.00 0.012 C +ATOM 1612 CD2 LEU 164 -45.997 44.577 63.023 0.00 0.00 0.172 C +ATOM 1613 ZN ZN4 490 -32.456 27.866 62.346 0.00 0.00 2.000 Zn +TER 1614 ZN4 490 diff --git a/unidock/example/paired_batch/def4.pdbqt b/unidock/example/paired_batch/def4.pdbqt new file mode 100644 index 0000000..b02f4af --- /dev/null +++ b/unidock/example/paired_batch/def4.pdbqt @@ -0,0 +1,1614 @@ +ATOM 1 N SER 1 -24.102 41.977 73.078 0.00 0.00 -0.064 N +ATOM 2 HN1 SER 1 -24.590 41.366 73.732 1.00 0.00 0.275 HD +ATOM 3 HN2 SER 1 -23.447 42.598 73.553 1.00 0.00 0.275 HD +ATOM 4 HN3 SER 1 -23.433 41.464 72.503 1.00 0.00 0.275 HD +ATOM 5 CA SER 1 -25.081 42.730 72.252 0.00 0.00 0.297 C +ATOM 6 C SER 1 -25.984 41.779 71.491 0.00 0.00 0.251 C +ATOM 7 O SER 1 -25.679 40.596 71.347 0.00 0.00 -0.271 OA +ATOM 8 CB SER 1 -24.344 43.653 71.264 0.00 0.00 0.206 C +ATOM 9 OG SER 1 -22.931 43.477 71.322 0.00 0.00 -0.398 OA +ATOM 10 HOG SER 1 -22.520 44.064 70.698 0.00 0.00 0.209 HD +ATOM 11 N VAL 2 -27.131 42.299 71.074 0.00 0.00 -0.346 N +ATOM 12 HN VAL 2 -27.343 43.271 71.298 1.00 0.00 0.163 HD +ATOM 13 CA VAL 2 -28.098 41.525 70.306 0.00 0.00 0.180 C +ATOM 14 C VAL 2 -27.695 41.709 68.848 0.00 0.00 0.241 C +ATOM 15 O VAL 2 -27.508 42.843 68.378 0.00 0.00 -0.271 OA +ATOM 16 CB VAL 2 -29.539 42.012 70.547 0.00 0.00 0.009 C +ATOM 17 CG1 VAL 2 -30.527 41.270 69.644 0.00 0.00 0.012 C +ATOM 18 CG2 VAL 2 -29.927 41.869 72.019 0.00 0.00 0.012 C +ATOM 19 N LEU 3 -27.504 40.592 68.159 0.00 0.00 -0.346 N +ATOM 20 HN LEU 3 -27.655 39.691 68.612 1.00 0.00 0.163 HD +ATOM 21 CA LEU 3 -27.085 40.631 66.776 0.00 0.00 0.177 C +ATOM 22 C LEU 3 -28.257 40.349 65.838 0.00 0.00 0.241 C +ATOM 23 O LEU 3 -29.180 39.623 66.204 0.00 0.00 -0.271 OA +ATOM 24 CB LEU 3 -25.938 39.624 66.571 0.00 0.00 0.038 C +ATOM 25 CG LEU 3 -24.811 39.672 67.605 0.00 0.00 -0.020 C +ATOM 26 CD1 LEU 3 -23.918 38.434 67.499 0.00 0.00 0.009 C +ATOM 27 CD2 LEU 3 -24.009 40.969 67.483 0.00 0.00 0.009 C +ATOM 28 N GLN 4 -28.208 40.926 64.635 0.00 0.00 -0.346 N +ATOM 29 HN GLN 4 -27.401 41.507 64.408 1.00 0.00 0.163 HD +ATOM 30 CA GLN 4 -29.258 40.765 63.625 0.00 0.00 0.177 C +ATOM 31 C GLN 4 -29.280 39.412 62.913 0.00 0.00 0.241 C +ATOM 32 O GLN 4 -28.348 39.041 62.201 0.00 0.00 -0.271 OA +ATOM 33 CB GLN 4 -29.162 41.881 62.568 0.00 0.00 0.044 C +ATOM 34 CG GLN 4 -30.197 41.677 61.460 0.00 0.00 0.105 C +ATOM 35 CD GLN 4 -29.815 42.462 60.203 0.00 0.00 0.215 C +ATOM 36 OE1 GLN 4 -29.135 43.474 60.254 0.00 0.00 -0.274 OA +ATOM 37 NE2 GLN 4 -30.289 41.940 59.075 0.00 0.00 -0.370 N +ATOM 38 1HE2 GLN 4 -30.857 41.094 59.032 1.00 0.00 0.159 HD +ATOM 39 2HE2 GLN 4 -30.034 42.463 58.237 1.00 0.00 0.159 HD +ATOM 40 N VAL 5 -30.392 38.710 63.065 0.00 0.00 -0.346 N +ATOM 41 HN VAL 5 -31.145 39.096 63.634 1.00 0.00 0.163 HD +ATOM 42 CA VAL 5 -30.574 37.408 62.447 0.00 0.00 0.180 C +ATOM 43 C VAL 5 -30.984 37.608 60.992 0.00 0.00 0.241 C +ATOM 44 O VAL 5 -31.885 38.399 60.691 0.00 0.00 -0.271 OA +ATOM 45 CB VAL 5 -31.635 36.605 63.223 0.00 0.00 0.009 C +ATOM 46 CG1 VAL 5 -31.823 35.214 62.614 0.00 0.00 0.012 C +ATOM 47 CG2 VAL 5 -31.274 36.511 64.707 0.00 0.00 0.012 C +ATOM 48 N LEU 6 -30.280 36.934 60.089 0.00 0.00 -0.346 N +ATOM 49 HN LEU 6 -29.521 36.330 60.406 1.00 0.00 0.163 HD +ATOM 50 CA LEU 6 -30.557 37.029 58.651 0.00 0.00 0.177 C +ATOM 51 C LEU 6 -31.753 36.153 58.304 0.00 0.00 0.241 C +ATOM 52 O LEU 6 -31.943 35.094 58.897 0.00 0.00 -0.271 OA +ATOM 53 CB LEU 6 -29.330 36.589 57.831 0.00 0.00 0.038 C +ATOM 54 CG LEU 6 -28.010 37.281 58.174 0.00 0.00 -0.020 C +ATOM 55 CD1 LEU 6 -26.825 36.543 57.549 0.00 0.00 0.009 C +ATOM 56 CD2 LEU 6 -28.043 38.757 57.771 0.00 0.00 0.009 C +ATOM 57 N HIS 7 -32.563 36.594 57.352 0.00 0.00 -0.346 N +ATOM 58 HN HIS 7 -32.360 37.480 56.889 1.00 0.00 0.163 HD +ATOM 59 CA HIS 7 -33.742 35.830 56.956 0.00 0.00 0.182 C +ATOM 60 C HIS 7 -33.720 35.554 55.461 0.00 0.00 0.241 C +ATOM 61 O HIS 7 -33.075 36.282 54.693 0.00 0.00 -0.271 OA +ATOM 62 CB HIS 7 -35.031 36.607 57.283 0.00 0.00 0.093 C +ATOM 63 CG HIS 7 -35.126 37.063 58.719 0.00 0.00 0.028 A +ATOM 64 ND1 HIS 7 -35.950 38.098 59.125 0.00 0.00 -0.354 N +ATOM 65 HD1 HIS 7 -36.561 38.646 58.520 1.00 0.00 0.166 HD +ATOM 66 CD2 HIS 7 -34.493 36.613 59.841 0.00 0.00 0.114 A +ATOM 67 CE1 HIS 7 -35.811 38.256 60.433 0.00 0.00 0.180 A +ATOM 68 NE2 HIS 7 -34.906 37.335 60.874 0.00 0.00 -0.360 N +ATOM 69 HE2 HIS 7 -34.598 37.221 61.840 1.00 0.00 0.166 HD +ATOM 70 N ILE 8 -34.416 34.502 55.043 0.00 0.00 -0.346 N +ATOM 71 HN ILE 8 -34.902 33.912 55.718 1.00 0.00 0.163 HD +ATOM 72 CA ILE 8 -34.486 34.190 53.623 0.00 0.00 0.180 C +ATOM 73 C ILE 8 -35.065 35.425 52.913 0.00 0.00 0.243 C +ATOM 74 O ILE 8 -35.855 36.169 53.508 0.00 0.00 -0.271 OA +ATOM 75 CB ILE 8 -35.333 32.933 53.350 0.00 0.00 0.013 C +ATOM 76 CG1 ILE 8 -36.801 33.173 53.710 0.00 0.00 0.002 C +ATOM 77 CG2 ILE 8 -34.756 31.715 54.075 0.00 0.00 0.012 C +ATOM 78 CD1 ILE 8 -37.688 32.049 53.170 0.00 0.00 0.005 C +ATOM 79 N PRO 9 -34.646 35.685 51.661 0.00 0.00 -0.337 N +ATOM 80 CA PRO 9 -33.714 34.907 50.848 0.00 0.00 0.179 C +ATOM 81 C PRO 9 -32.258 35.444 50.895 0.00 0.00 0.241 C +ATOM 82 O PRO 9 -31.530 35.354 49.904 0.00 0.00 -0.271 OA +ATOM 83 CB PRO 9 -33.966 35.181 49.462 0.00 0.00 0.037 C +ATOM 84 CG PRO 9 -34.712 36.506 49.458 0.00 0.00 0.022 C +ATOM 85 CD PRO 9 -35.190 36.775 50.875 0.00 0.00 0.127 C +ATOM 86 N ASP 10 -31.857 35.994 52.042 0.00 0.00 -0.346 N +ATOM 87 HN ASP 10 -32.519 36.043 52.817 1.00 0.00 0.163 HD +ATOM 88 CA ASP 10 -30.508 36.531 52.239 0.00 0.00 0.186 C +ATOM 89 C ASP 10 -29.472 35.483 51.851 0.00 0.00 0.241 C +ATOM 90 O ASP 10 -29.290 34.486 52.566 0.00 0.00 -0.271 OA +ATOM 91 CB ASP 10 -30.307 36.923 53.715 0.00 0.00 0.147 C +ATOM 92 CG ASP 10 -29.041 37.732 54.002 0.00 0.00 0.175 C +ATOM 93 OD1 ASP 10 -29.045 38.649 54.837 0.00 0.00 -0.648 OA +ATOM 94 OD2 ASP 10 -28.004 37.384 53.318 0.00 0.00 -0.648 OA +ATOM 95 N GLU 11 -28.739 35.763 50.769 0.00 0.00 -0.346 N +ATOM 96 HN GLU 11 -28.894 36.647 50.284 1.00 0.00 0.163 HD +ATOM 97 CA GLU 11 -27.720 34.843 50.256 0.00 0.00 0.177 C +ATOM 98 C GLU 11 -26.624 34.528 51.261 0.00 0.00 0.241 C +ATOM 99 O GLU 11 -26.019 33.472 51.179 0.00 0.00 -0.271 OA +ATOM 100 CB GLU 11 -27.139 35.316 48.910 0.00 0.00 0.045 C +ATOM 101 CG GLU 11 -28.177 35.195 47.793 0.00 0.00 0.116 C +ATOM 102 CD GLU 11 -27.563 35.542 46.435 0.00 0.00 0.172 C +ATOM 103 OE1 GLU 11 -26.456 36.096 46.378 0.00 0.00 -0.648 OA +ATOM 104 OE2 GLU 11 -28.279 35.215 45.413 0.00 0.00 -0.648 OA +ATOM 105 N ARG 12 -26.426 35.392 52.252 0.00 0.00 -0.346 N +ATOM 106 HN ARG 12 -26.991 36.240 52.303 1.00 0.00 0.163 HD +ATOM 107 CA ARG 12 -25.404 35.138 53.272 0.00 0.00 0.176 C +ATOM 108 C ARG 12 -25.693 33.921 54.148 0.00 0.00 0.241 C +ATOM 109 O ARG 12 -24.784 33.395 54.808 0.00 0.00 -0.271 OA +ATOM 110 CB ARG 12 -25.170 36.368 54.169 0.00 0.00 0.036 C +ATOM 111 CG ARG 12 -24.369 37.441 53.430 0.00 0.00 0.023 C +ATOM 112 CD ARG 12 -24.289 38.729 54.252 0.00 0.00 0.138 C +ATOM 113 NE ARG 12 -25.649 39.253 54.507 0.00 0.00 -0.227 N +ATOM 114 HE ARG 12 -26.441 38.641 54.310 1.00 0.00 0.177 HD +ATOM 115 CZ ARG 12 -25.908 40.489 54.984 0.00 0.00 0.665 C +ATOM 116 NH1 ARG 12 -24.883 41.309 55.251 0.00 0.00 -0.235 N +ATOM 117 1HH1 ARG 12 -23.922 41.004 55.096 1.00 0.00 0.174 HD +ATOM 118 2HH1 ARG 12 -25.079 42.243 55.611 1.00 0.00 0.174 HD +ATOM 119 NH2 ARG 12 -27.170 40.889 55.188 0.00 0.00 -0.235 N +ATOM 120 1HH2 ARG 12 -27.951 40.265 54.985 1.00 0.00 0.174 HD +ATOM 121 2HH2 ARG 12 -27.366 41.823 55.548 1.00 0.00 0.174 HD +ATOM 122 N LEU 13 -26.957 33.495 54.182 0.00 0.00 -0.346 N +ATOM 123 HN LEU 13 -27.666 33.999 53.649 1.00 0.00 0.163 HD +ATOM 124 CA LEU 13 -27.353 32.322 54.966 0.00 0.00 0.177 C +ATOM 125 C LEU 13 -26.893 31.067 54.237 0.00 0.00 0.241 C +ATOM 126 O LEU 13 -26.939 29.963 54.777 0.00 0.00 -0.271 OA +ATOM 127 CB LEU 13 -28.882 32.269 55.144 0.00 0.00 0.038 C +ATOM 128 CG LEU 13 -29.476 33.264 56.143 0.00 0.00 -0.020 C +ATOM 129 CD1 LEU 13 -30.973 33.459 55.899 0.00 0.00 0.009 C +ATOM 130 CD2 LEU 13 -29.181 32.837 57.583 0.00 0.00 0.009 C +ATOM 131 N ARG 14 -26.475 31.231 52.994 0.00 0.00 -0.346 N +ATOM 132 HN ARG 14 -26.482 32.163 52.580 1.00 0.00 0.163 HD +ATOM 133 CA ARG 14 -26.003 30.097 52.205 0.00 0.00 0.176 C +ATOM 134 C ARG 14 -24.455 29.969 52.200 0.00 0.00 0.241 C +ATOM 135 O ARG 14 -23.887 29.124 51.496 0.00 0.00 -0.271 OA +ATOM 136 CB ARG 14 -26.564 30.215 50.776 0.00 0.00 0.036 C +ATOM 137 CG ARG 14 -28.031 30.650 50.797 0.00 0.00 0.023 C +ATOM 138 CD ARG 14 -28.958 29.466 50.516 0.00 0.00 0.138 C +ATOM 139 NE ARG 14 -28.875 28.485 51.621 0.00 0.00 -0.227 N +ATOM 140 HE ARG 14 -28.007 28.438 52.154 1.00 0.00 0.177 HD +ATOM 141 CZ ARG 14 -29.877 27.649 51.967 0.00 0.00 0.665 C +ATOM 142 NH1 ARG 14 -31.027 27.693 51.280 0.00 0.00 -0.235 N +ATOM 143 1HH1 ARG 14 -31.143 28.349 50.507 1.00 0.00 0.174 HD +ATOM 144 2HH1 ARG 14 -31.784 27.061 51.541 1.00 0.00 0.174 HD +ATOM 145 NH2 ARG 14 -29.724 26.788 52.982 0.00 0.00 -0.235 N +ATOM 146 1HH2 ARG 14 -28.849 26.755 53.505 1.00 0.00 0.174 HD +ATOM 147 2HH2 ARG 14 -30.481 26.156 53.243 1.00 0.00 0.174 HD +ATOM 148 N LYS 15 -23.803 30.754 53.054 0.00 0.00 -0.346 N +ATOM 149 HN LYS 15 -24.337 31.380 53.657 1.00 0.00 0.163 HD +ATOM 150 CA LYS 15 -22.352 30.747 53.154 0.00 0.00 0.176 C +ATOM 151 C LYS 15 -21.798 29.695 54.099 0.00 0.00 0.241 C +ATOM 152 O LYS 15 -22.258 29.578 55.239 0.00 0.00 -0.271 OA +ATOM 153 CB LYS 15 -21.861 32.149 53.560 0.00 0.00 0.035 C +ATOM 154 CG LYS 15 -22.056 33.150 52.420 0.00 0.00 0.004 C +ATOM 155 CD LYS 15 -21.521 34.531 52.806 0.00 0.00 0.027 C +ATOM 156 CE LYS 15 -20.049 34.455 53.215 0.00 0.00 0.229 C +ATOM 157 NZ LYS 15 -19.624 35.714 53.848 0.00 0.00 -0.079 N +ATOM 158 HZ1 LYS 15 -18.642 35.663 54.121 1.00 0.00 0.274 HD +ATOM 159 HZ2 LYS 15 -20.224 35.964 54.634 1.00 0.00 0.274 HD +ATOM 160 HZ3 LYS 15 -19.811 36.520 53.252 1.00 0.00 0.274 HD +ATOM 161 N VAL 16 -20.851 28.892 53.603 0.00 0.00 -0.346 N +ATOM 162 HN VAL 16 -20.557 29.023 52.635 1.00 0.00 0.163 HD +ATOM 163 CA VAL 16 -20.216 27.829 54.394 0.00 0.00 0.180 C +ATOM 164 C VAL 16 -19.156 28.427 55.310 0.00 0.00 0.241 C +ATOM 165 O VAL 16 -18.300 29.206 54.871 0.00 0.00 -0.271 OA +ATOM 166 CB VAL 16 -19.586 26.739 53.506 0.00 0.00 0.009 C +ATOM 167 CG1 VAL 16 -19.077 25.570 54.352 0.00 0.00 0.012 C +ATOM 168 CG2 VAL 16 -20.576 26.258 52.444 0.00 0.00 0.012 C +ATOM 169 N ALA 17 -19.241 28.075 56.590 0.00 0.00 -0.346 N +ATOM 170 HN ALA 17 -19.975 27.423 56.867 1.00 0.00 0.163 HD +ATOM 171 CA ALA 17 -18.333 28.577 57.618 0.00 0.00 0.172 C +ATOM 172 C ALA 17 -16.979 27.848 57.725 0.00 0.00 0.240 C +ATOM 173 O ALA 17 -16.875 26.636 57.523 0.00 0.00 -0.271 OA +ATOM 174 CB ALA 17 -19.051 28.577 58.980 0.00 0.00 0.042 C +ATOM 175 N LYS 18 -15.936 28.612 58.039 0.00 0.00 -0.346 N +ATOM 176 HN LYS 18 -16.075 29.612 58.186 1.00 0.00 0.163 HD +ATOM 177 CA LYS 18 -14.602 28.050 58.177 0.00 0.00 0.176 C +ATOM 178 C LYS 18 -14.355 27.744 59.643 0.00 0.00 0.243 C +ATOM 179 O LYS 18 -14.963 28.353 60.517 0.00 0.00 -0.271 OA +ATOM 180 CB LYS 18 -13.552 29.017 57.599 0.00 0.00 0.035 C +ATOM 181 CG LYS 18 -13.658 30.396 58.252 0.00 0.00 0.004 C +ATOM 182 CD LYS 18 -12.834 30.459 59.540 0.00 0.00 0.027 C +ATOM 183 CE LYS 18 -12.810 31.879 60.107 0.00 0.00 0.229 C +ATOM 184 NZ LYS 18 -12.057 31.917 61.371 0.00 0.00 -0.079 N +ATOM 185 HZ1 LYS 18 -12.041 32.864 61.749 1.00 0.00 0.274 HD +ATOM 186 HZ2 LYS 18 -11.117 31.536 61.264 1.00 0.00 0.274 HD +ATOM 187 HZ3 LYS 18 -12.418 31.245 62.048 1.00 0.00 0.274 HD +ATOM 188 N PRO 19 -13.493 26.763 59.937 0.00 0.00 -0.337 N +ATOM 189 CA PRO 19 -13.184 26.395 61.317 0.00 0.00 0.179 C +ATOM 190 C PRO 19 -12.671 27.583 62.124 0.00 0.00 0.241 C +ATOM 191 O PRO 19 -12.174 28.552 61.561 0.00 0.00 -0.271 OA +ATOM 192 CB PRO 19 -12.560 25.090 61.309 0.00 0.00 0.037 C +ATOM 193 CG PRO 19 -12.050 24.906 59.889 0.00 0.00 0.022 C +ATOM 194 CD PRO 19 -12.713 25.959 59.016 0.00 0.00 0.127 C +ATOM 195 N VAL 20 -12.833 27.512 63.443 0.00 0.00 -0.346 N +ATOM 196 HN VAL 20 -13.325 26.707 63.831 1.00 0.00 0.163 HD +ATOM 197 CA VAL 20 -12.338 28.535 64.359 0.00 0.00 0.180 C +ATOM 198 C VAL 20 -10.879 28.110 64.541 0.00 0.00 0.241 C +ATOM 199 O VAL 20 -10.606 26.917 64.732 0.00 0.00 -0.271 OA +ATOM 200 CB VAL 20 -13.061 28.465 65.717 0.00 0.00 0.009 C +ATOM 201 CG1 VAL 20 -12.251 29.169 66.807 0.00 0.00 0.012 C +ATOM 202 CG2 VAL 20 -14.471 29.051 65.617 0.00 0.00 0.012 C +ATOM 203 N GLU 21 -9.940 29.046 64.409 0.00 0.00 -0.346 N +ATOM 204 HN GLU 21 -10.205 30.009 64.201 1.00 0.00 0.163 HD +ATOM 205 CA GLU 21 -8.532 28.692 64.563 0.00 0.00 0.177 C +ATOM 206 C GLU 21 -8.175 28.274 65.967 0.00 0.00 0.241 C +ATOM 207 O GLU 21 -7.717 27.152 66.176 0.00 0.00 -0.271 OA +ATOM 208 CB GLU 21 -7.612 29.811 64.040 0.00 0.00 0.045 C +ATOM 209 CG GLU 21 -7.490 29.752 62.516 0.00 0.00 0.116 C +ATOM 210 CD GLU 21 -7.103 28.347 62.050 0.00 0.00 0.172 C +ATOM 211 OE1 GLU 21 -6.207 27.723 62.639 0.00 0.00 -0.648 OA +ATOM 212 OE2 GLU 21 -7.770 27.904 61.039 0.00 0.00 -0.648 OA +ATOM 213 N GLU 22 -8.407 29.156 66.927 0.00 0.00 -0.346 N +ATOM 214 HN GLU 22 -8.791 30.069 66.681 1.00 0.00 0.163 HD +ATOM 215 CA GLU 22 -8.129 28.857 68.323 0.00 0.00 0.177 C +ATOM 216 C GLU 22 -9.146 29.642 69.129 0.00 0.00 0.241 C +ATOM 217 O GLU 22 -9.444 30.788 68.798 0.00 0.00 -0.271 OA +ATOM 218 CB GLU 22 -6.700 29.271 68.721 0.00 0.00 0.045 C +ATOM 219 CG GLU 22 -5.666 28.312 68.127 0.00 0.00 0.116 C +ATOM 220 CD GLU 22 -5.861 26.893 68.666 0.00 0.00 0.172 C +ATOM 221 OE1 GLU 22 -6.218 25.983 67.903 0.00 0.00 -0.648 OA +ATOM 222 OE2 GLU 22 -5.626 26.752 69.926 0.00 0.00 -0.648 OA +ATOM 223 N VAL 23 -9.707 29.009 70.157 0.00 0.00 -0.346 N +ATOM 224 HN VAL 23 -9.428 28.049 70.358 1.00 0.00 0.163 HD +ATOM 225 CA VAL 23 -10.709 29.648 71.005 0.00 0.00 0.180 C +ATOM 226 C VAL 23 -10.077 30.718 71.889 0.00 0.00 0.241 C +ATOM 227 O VAL 23 -9.470 30.418 72.915 0.00 0.00 -0.271 OA +ATOM 228 CB VAL 23 -11.458 28.629 71.883 0.00 0.00 0.009 C +ATOM 229 CG1 VAL 23 -12.601 29.299 72.648 0.00 0.00 0.012 C +ATOM 230 CG2 VAL 23 -11.972 27.456 71.045 0.00 0.00 0.012 C +ATOM 231 N ASN 24 -10.246 31.968 71.485 0.00 0.00 -0.346 N +ATOM 232 HN ASN 24 -10.788 32.143 70.639 1.00 0.00 0.163 HD +ATOM 233 CA ASN 24 -9.686 33.098 72.206 0.00 0.00 0.185 C +ATOM 234 C ASN 24 -10.787 34.022 72.722 0.00 0.00 0.241 C +ATOM 235 O ASN 24 -11.975 33.741 72.546 0.00 0.00 -0.271 OA +ATOM 236 CB ASN 24 -8.721 33.860 71.278 0.00 0.00 0.137 C +ATOM 237 CG ASN 24 -9.398 34.209 69.951 0.00 0.00 0.217 C +ATOM 238 OD1 ASN 24 -10.510 34.709 69.905 0.00 0.00 -0.274 OA +ATOM 239 ND2 ASN 24 -8.667 33.919 68.879 0.00 0.00 -0.370 N +ATOM 240 1HD2 ASN 24 -9.118 34.152 67.994 1.00 0.00 0.159 HD +ATOM 241 2HD2 ASN 24 -7.737 33.501 68.917 1.00 0.00 0.159 HD +ATOM 242 N ALA 25 -10.384 35.137 73.327 0.00 0.00 -0.346 N +ATOM 243 HN ALA 25 -9.382 35.316 73.399 1.00 0.00 0.163 HD +ATOM 244 CA ALA 25 -11.309 36.116 73.892 0.00 0.00 0.172 C +ATOM 245 C ALA 25 -12.304 36.710 72.906 0.00 0.00 0.240 C +ATOM 246 O ALA 25 -13.375 37.171 73.313 0.00 0.00 -0.271 OA +ATOM 247 CB ALA 25 -10.525 37.248 74.581 0.00 0.00 0.042 C +ATOM 248 N GLU 26 -11.933 36.754 71.631 0.00 0.00 -0.346 N +ATOM 249 HN GLU 26 -11.009 36.410 71.369 1.00 0.00 0.163 HD +ATOM 250 CA GLU 26 -12.816 37.283 70.595 0.00 0.00 0.177 C +ATOM 251 C GLU 26 -13.887 36.229 70.264 0.00 0.00 0.241 C +ATOM 252 O GLU 26 -15.060 36.557 70.096 0.00 0.00 -0.271 OA +ATOM 253 CB GLU 26 -11.993 37.647 69.346 0.00 0.00 0.045 C +ATOM 254 CG GLU 26 -12.616 38.832 68.604 0.00 0.00 0.116 C +ATOM 255 CD GLU 26 -13.543 38.352 67.486 0.00 0.00 0.172 C +ATOM 256 OE1 GLU 26 -13.095 37.646 66.570 0.00 0.00 -0.648 OA +ATOM 257 OE2 GLU 26 -14.769 38.738 67.590 0.00 0.00 -0.648 OA +ATOM 258 N ILE 27 -13.474 34.962 70.211 0.00 0.00 -0.346 N +ATOM 259 HN ILE 27 -12.487 34.763 70.374 1.00 0.00 0.163 HD +ATOM 260 CA ILE 27 -14.378 33.843 69.929 0.00 0.00 0.180 C +ATOM 261 C ILE 27 -15.395 33.759 71.069 0.00 0.00 0.241 C +ATOM 262 O ILE 27 -16.601 33.641 70.845 0.00 0.00 -0.271 OA +ATOM 263 CB ILE 27 -13.602 32.517 69.821 0.00 0.00 0.013 C +ATOM 264 CG1 ILE 27 -12.597 32.563 68.668 0.00 0.00 0.002 C +ATOM 265 CG2 ILE 27 -14.560 31.330 69.700 0.00 0.00 0.012 C +ATOM 266 CD1 ILE 27 -13.279 32.977 67.362 0.00 0.00 0.005 C +ATOM 267 N GLN 28 -14.892 33.890 72.291 0.00 0.00 -0.346 N +ATOM 268 HN GLN 28 -13.887 34.025 72.398 1.00 0.00 0.163 HD +ATOM 269 CA GLN 28 -15.722 33.848 73.477 0.00 0.00 0.177 C +ATOM 270 C GLN 28 -16.700 35.022 73.536 0.00 0.00 0.241 C +ATOM 271 O GLN 28 -17.781 34.888 74.100 0.00 0.00 -0.271 OA +ATOM 272 CB GLN 28 -14.845 33.745 74.739 0.00 0.00 0.044 C +ATOM 273 CG GLN 28 -14.011 32.462 74.724 0.00 0.00 0.105 C +ATOM 274 CD GLN 28 -13.232 32.300 76.030 0.00 0.00 0.215 C +ATOM 275 OE1 GLN 28 -13.620 32.787 77.080 0.00 0.00 -0.274 OA +ATOM 276 NE2 GLN 28 -12.113 31.591 75.908 0.00 0.00 -0.370 N +ATOM 277 1HE2 GLN 28 -11.593 31.483 76.779 1.00 0.00 0.159 HD +ATOM 278 2HE2 GLN 28 -11.789 31.184 75.031 1.00 0.00 0.159 HD +ATOM 279 N ARG 29 -16.364 36.139 72.894 0.00 0.00 -0.346 N +ATOM 280 HN ARG 29 -15.467 36.190 72.412 1.00 0.00 0.163 HD +ATOM 281 CA ARG 29 -17.263 37.295 72.869 0.00 0.00 0.176 C +ATOM 282 C ARG 29 -18.379 37.041 71.847 0.00 0.00 0.241 C +ATOM 283 O ARG 29 -19.509 37.517 72.007 0.00 0.00 -0.271 OA +ATOM 284 CB ARG 29 -16.500 38.586 72.518 0.00 0.00 0.036 C +ATOM 285 CG ARG 29 -15.383 38.855 73.528 0.00 0.00 0.023 C +ATOM 286 CD ARG 29 -14.625 40.137 73.180 0.00 0.00 0.138 C +ATOM 287 NE ARG 29 -13.551 40.376 74.170 0.00 0.00 -0.227 N +ATOM 288 HE ARG 29 -13.441 39.702 74.928 1.00 0.00 0.177 HD +ATOM 289 CZ ARG 29 -12.708 41.429 74.133 0.00 0.00 0.665 C +ATOM 290 NH1 ARG 29 -12.834 42.328 73.147 0.00 0.00 -0.235 N +ATOM 291 1HH1 ARG 29 -13.556 42.218 72.435 1.00 0.00 0.174 HD +ATOM 292 2HH1 ARG 29 -12.197 43.124 73.119 1.00 0.00 0.174 HD +ATOM 293 NH2 ARG 29 -11.759 41.574 75.068 0.00 0.00 -0.235 N +ATOM 294 1HH2 ARG 29 -11.663 40.890 75.818 1.00 0.00 0.174 HD +ATOM 295 2HH2 ARG 29 -11.122 42.370 75.040 1.00 0.00 0.174 HD +ATOM 296 N ILE 30 -18.049 36.303 70.787 0.00 0.00 -0.346 N +ATOM 297 HN ILE 30 -17.091 35.964 70.697 1.00 0.00 0.163 HD +ATOM 298 CA ILE 30 -19.021 35.967 69.752 0.00 0.00 0.180 C +ATOM 299 C ILE 30 -20.023 34.977 70.359 0.00 0.00 0.241 C +ATOM 300 O ILE 30 -21.234 35.048 70.088 0.00 0.00 -0.271 OA +ATOM 301 CB ILE 30 -18.337 35.382 68.503 0.00 0.00 0.013 C +ATOM 302 CG1 ILE 30 -17.384 36.400 67.872 0.00 0.00 0.002 C +ATOM 303 CG2 ILE 30 -19.372 34.869 67.500 0.00 0.00 0.012 C +ATOM 304 CD1 ILE 30 -16.741 35.836 66.603 0.00 0.00 0.005 C +ATOM 305 N VAL 31 -19.529 34.110 71.239 0.00 0.00 -0.346 N +ATOM 306 HN VAL 31 -18.533 34.139 71.459 1.00 0.00 0.163 HD +ATOM 307 CA VAL 31 -20.371 33.122 71.896 0.00 0.00 0.180 C +ATOM 308 C VAL 31 -21.436 33.779 72.788 0.00 0.00 0.241 C +ATOM 309 O VAL 31 -22.590 33.340 72.823 0.00 0.00 -0.271 OA +ATOM 310 CB VAL 31 -19.511 32.079 72.634 0.00 0.00 0.009 C +ATOM 311 CG1 VAL 31 -20.337 31.331 73.683 0.00 0.00 0.012 C +ATOM 312 CG2 VAL 31 -18.866 31.104 71.647 0.00 0.00 0.012 C +ATOM 313 N ASP 32 -21.075 34.886 73.430 0.00 0.00 -0.345 N +ATOM 314 HN ASP 32 -20.124 35.236 73.318 1.00 0.00 0.163 HD +ATOM 315 CA ASP 32 -22.005 35.616 74.293 0.00 0.00 0.186 C +ATOM 316 C ASP 32 -23.082 36.367 73.516 0.00 0.00 0.241 C +ATOM 317 O ASP 32 -24.257 36.323 73.880 0.00 0.00 -0.271 OA +ATOM 318 CB ASP 32 -21.247 36.612 75.190 0.00 0.00 0.147 C +ATOM 319 CG ASP 32 -20.376 35.973 76.273 0.00 0.00 0.175 C +ATOM 320 OD1 ASP 32 -20.338 34.742 76.419 0.00 0.00 -0.648 OA +ATOM 321 OD2 ASP 32 -19.707 36.806 76.997 0.00 0.00 -0.648 OA +ATOM 322 N ASP 33 -22.676 37.102 72.487 0.00 0.00 -0.345 N +ATOM 323 HN ASP 33 -21.681 37.147 72.266 1.00 0.00 0.163 HD +ATOM 324 CA ASP 33 -23.626 37.846 71.666 0.00 0.00 0.186 C +ATOM 325 C ASP 33 -24.648 36.880 71.058 0.00 0.00 0.241 C +ATOM 326 O ASP 33 -25.841 37.196 70.933 0.00 0.00 -0.271 OA +ATOM 327 CB ASP 33 -22.877 38.574 70.534 0.00 0.00 0.147 C +ATOM 328 CG ASP 33 -21.910 39.666 70.997 0.00 0.00 0.175 C +ATOM 329 OD1 ASP 33 -21.638 39.811 72.198 0.00 0.00 -0.648 OA +ATOM 330 OD2 ASP 33 -21.421 40.397 70.053 0.00 0.00 -0.648 OA +ATOM 331 N MET 34 -24.146 35.709 70.666 0.00 0.00 -0.346 N +ATOM 332 HN MET 34 -23.147 35.545 70.787 1.00 0.00 0.163 HD +ATOM 333 CA MET 34 -24.955 34.653 70.074 0.00 0.00 0.177 C +ATOM 334 C MET 34 -25.992 34.140 71.075 0.00 0.00 0.241 C +ATOM 335 O MET 34 -27.160 34.008 70.735 0.00 0.00 -0.271 OA +ATOM 336 CB MET 34 -24.057 33.504 69.579 0.00 0.00 0.045 C +ATOM 337 CG MET 34 -23.537 33.784 68.167 0.00 0.00 0.076 C +ATOM 338 SD MET 34 -22.504 32.401 67.600 0.00 0.00 -0.173 SA +ATOM 339 CE MET 34 -23.765 31.101 67.459 0.00 0.00 0.089 C +ATOM 340 N PHE 35 -25.560 33.839 72.295 0.00 0.00 -0.346 N +ATOM 341 HN PHE 35 -24.566 33.932 72.503 1.00 0.00 0.163 HD +ATOM 342 CA PHE 35 -26.464 33.378 73.350 0.00 0.00 0.180 C +ATOM 343 C PHE 35 -27.525 34.445 73.657 0.00 0.00 0.241 C +ATOM 344 O PHE 35 -28.720 34.150 73.749 0.00 0.00 -0.271 OA +ATOM 345 CB PHE 35 -25.662 33.099 74.635 0.00 0.00 0.073 C +ATOM 346 CG PHE 35 -25.254 31.644 74.825 0.00 0.00 -0.056 A +ATOM 347 CD1 PHE 35 -23.917 31.313 75.147 0.00 0.00 0.007 A +ATOM 348 CD2 PHE 35 -26.211 30.614 74.673 0.00 0.00 0.007 A +ATOM 349 CE1 PHE 35 -23.542 29.963 75.317 0.00 0.00 0.001 A +ATOM 350 CE2 PHE 35 -25.835 29.265 74.844 0.00 0.00 0.001 A +ATOM 351 CZ PHE 35 -24.500 28.939 75.167 0.00 0.00 0.000 A +ATOM 352 N GLU 36 -27.062 35.688 73.778 0.00 0.00 -0.346 N +ATOM 353 HN GLU 36 -26.058 35.827 73.666 1.00 0.00 0.163 HD +ATOM 354 CA GLU 36 -27.874 36.866 74.057 0.00 0.00 0.177 C +ATOM 355 C GLU 36 -28.947 37.091 72.982 0.00 0.00 0.241 C +ATOM 356 O GLU 36 -30.068 37.528 73.272 0.00 0.00 -0.271 OA +ATOM 357 CB GLU 36 -26.914 38.068 74.129 0.00 0.00 0.045 C +ATOM 358 CG GLU 36 -27.676 39.361 74.428 0.00 0.00 0.116 C +ATOM 359 CD GLU 36 -26.711 40.512 74.720 0.00 0.00 0.172 C +ATOM 360 OE1 GLU 36 -25.496 40.289 74.825 0.00 0.00 -0.648 OA +ATOM 361 OE2 GLU 36 -27.264 41.671 74.837 0.00 0.00 -0.648 OA +ATOM 362 N THR 37 -28.578 36.825 71.734 0.00 0.00 -0.344 N +ATOM 363 HN THR 37 -27.622 36.514 71.560 1.00 0.00 0.163 HD +ATOM 364 CA THR 37 -29.487 36.960 70.604 0.00 0.00 0.205 C +ATOM 365 C THR 37 -30.464 35.767 70.616 0.00 0.00 0.243 C +ATOM 366 O THR 37 -31.647 35.920 70.318 0.00 0.00 -0.271 OA +ATOM 367 CB THR 37 -28.694 36.993 69.284 0.00 0.00 0.146 C +ATOM 368 OG1 THR 37 -27.807 38.097 69.439 0.00 0.00 -0.393 OA +ATOM 369 CG2 THR 37 -29.566 37.380 68.087 0.00 0.00 0.042 C +ATOM 370 HOG THR 37 -27.279 38.182 68.654 0.00 0.00 0.210 HD +ATOM 371 N MET 38 -29.957 34.593 70.989 0.00 0.00 -0.346 N +ATOM 372 HN MET 38 -28.968 34.548 71.234 1.00 0.00 0.163 HD +ATOM 373 CA MET 38 -30.749 33.364 71.065 0.00 0.00 0.177 C +ATOM 374 C MET 38 -31.869 33.506 72.100 0.00 0.00 0.241 C +ATOM 375 O MET 38 -33.039 33.210 71.826 0.00 0.00 -0.271 OA +ATOM 376 CB MET 38 -29.853 32.167 71.436 0.00 0.00 0.045 C +ATOM 377 CG MET 38 -30.663 30.871 71.485 0.00 0.00 0.076 C +ATOM 378 SD MET 38 -29.655 29.534 72.189 0.00 0.00 -0.173 SA +ATOM 379 CE MET 38 -30.081 29.708 73.947 0.00 0.00 0.089 C +ATOM 380 N TYR 39 -31.492 33.952 73.291 0.00 0.00 -0.346 N +ATOM 381 HN TYR 39 -30.506 34.159 73.454 1.00 0.00 0.163 HD +ATOM 382 CA TYR 39 -32.441 34.154 74.367 0.00 0.00 0.180 C +ATOM 383 C TYR 39 -33.429 35.280 74.019 0.00 0.00 0.241 C +ATOM 384 O TYR 39 -34.623 35.160 74.267 0.00 0.00 -0.271 OA +ATOM 385 CB TYR 39 -31.683 34.472 75.670 0.00 0.00 0.073 C +ATOM 386 CG TYR 39 -30.871 33.311 76.227 0.00 0.00 -0.056 A +ATOM 387 CD1 TYR 39 -29.607 33.540 76.817 0.00 0.00 0.010 A +ATOM 388 CD2 TYR 39 -31.377 31.993 76.150 0.00 0.00 0.010 A +ATOM 389 CE1 TYR 39 -28.856 32.461 77.329 0.00 0.00 0.037 A +ATOM 390 CE2 TYR 39 -30.627 30.913 76.662 0.00 0.00 0.037 A +ATOM 391 CZ TYR 39 -29.366 31.146 77.253 0.00 0.00 0.065 A +ATOM 392 OH TYR 39 -28.643 30.098 77.748 0.00 0.00 -0.361 OA +ATOM 393 HOH TYR 39 -27.827 30.427 78.107 0.00 0.00 0.217 HD +ATOM 394 N ALA 40 -32.941 36.336 73.380 0.00 0.00 -0.346 N +ATOM 395 HN ALA 40 -31.948 36.366 73.149 1.00 0.00 0.163 HD +ATOM 396 CA ALA 40 -33.796 37.453 73.002 0.00 0.00 0.172 C +ATOM 397 C ALA 40 -34.875 37.053 72.008 0.00 0.00 0.240 C +ATOM 398 O ALA 40 -36.012 37.534 72.084 0.00 0.00 -0.271 OA +ATOM 399 CB ALA 40 -32.956 38.598 72.406 0.00 0.00 0.042 C +ATOM 400 N GLU 41 -34.512 36.199 71.057 0.00 0.00 -0.346 N +ATOM 401 HN GLU 41 -33.558 35.839 71.047 1.00 0.00 0.163 HD +ATOM 402 CA GLU 41 -35.449 35.766 70.027 0.00 0.00 0.177 C +ATOM 403 C GLU 41 -36.228 34.525 70.410 0.00 0.00 0.241 C +ATOM 404 O GLU 41 -36.950 33.965 69.591 0.00 0.00 -0.271 OA +ATOM 405 CB GLU 41 -34.721 35.541 68.689 0.00 0.00 0.045 C +ATOM 406 CG GLU 41 -33.878 36.760 68.311 0.00 0.00 0.116 C +ATOM 407 CD GLU 41 -34.742 38.020 68.229 0.00 0.00 0.172 C +ATOM 408 OE1 GLU 41 -35.741 38.040 67.494 0.00 0.00 -0.648 OA +ATOM 409 OE2 GLU 41 -34.345 39.003 68.964 0.00 0.00 -0.648 OA +ATOM 410 N GLU 42 -36.089 34.104 71.658 0.00 0.00 -0.346 N +ATOM 411 HN GLU 42 -35.469 34.612 72.289 1.00 0.00 0.163 HD +ATOM 412 CA GLU 42 -36.801 32.932 72.151 0.00 0.00 0.177 C +ATOM 413 C GLU 42 -36.454 31.654 71.369 0.00 0.00 0.240 C +ATOM 414 O GLU 42 -37.308 30.801 71.120 0.00 0.00 -0.271 OA +ATOM 415 CB GLU 42 -38.319 33.193 72.155 0.00 0.00 0.045 C +ATOM 416 CG GLU 42 -38.676 34.336 73.107 0.00 0.00 0.116 C +ATOM 417 CD GLU 42 -40.157 34.705 72.989 0.00 0.00 0.172 C +ATOM 418 OE1 GLU 42 -41.022 33.819 73.044 0.00 0.00 -0.648 OA +ATOM 419 OE2 GLU 42 -40.395 35.963 72.837 0.00 0.00 -0.648 OA +ATOM 420 N GLY 43 -35.186 31.544 70.984 0.00 0.00 -0.351 N +ATOM 421 HN GLY 43 -34.531 32.298 71.193 1.00 0.00 0.163 HD +ATOM 422 CA GLY 43 -34.720 30.374 70.274 0.00 0.00 0.225 C +ATOM 423 C GLY 43 -34.045 29.437 71.257 0.00 0.00 0.236 C +ATOM 424 O GLY 43 -33.557 29.864 72.304 0.00 0.00 -0.272 OA +ATOM 425 N ILE 44 -34.028 28.153 70.936 0.00 0.00 -0.346 N +ATOM 426 HN ILE 44 -34.462 27.850 70.064 1.00 0.00 0.163 HD +ATOM 427 CA ILE 44 -33.403 27.164 71.802 0.00 0.00 0.180 C +ATOM 428 C ILE 44 -31.950 26.857 71.335 0.00 0.00 0.241 C +ATOM 429 O ILE 44 -31.142 26.261 72.070 0.00 0.00 -0.271 OA +ATOM 430 CB ILE 44 -34.326 25.936 71.912 0.00 0.00 0.013 C +ATOM 431 CG1 ILE 44 -34.949 25.842 73.307 0.00 0.00 0.002 C +ATOM 432 CG2 ILE 44 -33.582 24.655 71.529 0.00 0.00 0.012 C +ATOM 433 CD1 ILE 44 -35.799 27.077 73.612 0.00 0.00 0.005 C +ATOM 434 N GLY 45 -31.610 27.337 70.139 0.00 0.00 -0.351 N +ATOM 435 HN GLY 45 -32.296 27.857 69.591 1.00 0.00 0.163 HD +ATOM 436 CA GLY 45 -30.277 27.129 69.607 0.00 0.00 0.225 C +ATOM 437 C GLY 45 -29.934 28.234 68.628 0.00 0.00 0.236 C +ATOM 438 O GLY 45 -30.840 28.974 68.199 0.00 0.00 -0.272 OA +ATOM 439 N LEU 46 -28.643 28.350 68.279 0.00 0.00 -0.346 N +ATOM 440 HN LEU 46 -27.965 27.710 68.693 1.00 0.00 0.163 HD +ATOM 441 CA LEU 46 -28.167 29.361 67.326 0.00 0.00 0.177 C +ATOM 442 C LEU 46 -26.792 29.000 66.718 0.00 0.00 0.241 C +ATOM 443 O LEU 46 -25.935 28.425 67.387 0.00 0.00 -0.271 OA +ATOM 444 CB LEU 46 -28.095 30.742 68.004 0.00 0.00 0.038 C +ATOM 445 CG LEU 46 -28.070 31.950 67.064 0.00 0.00 -0.020 C +ATOM 446 CD1 LEU 46 -29.465 32.238 66.505 0.00 0.00 0.009 C +ATOM 447 CD2 LEU 46 -27.467 33.172 67.759 0.00 0.00 0.009 C +ATOM 448 N ALA 47 -26.636 29.284 65.426 0.00 0.00 -0.346 N +ATOM 449 HN ALA 47 -27.424 29.691 64.922 1.00 0.00 0.163 HD +ATOM 450 CA ALA 47 -25.396 29.043 64.692 0.00 0.00 0.172 C +ATOM 451 C ALA 47 -24.879 30.410 64.203 0.00 0.00 0.240 C +ATOM 452 O ALA 47 -25.667 31.248 63.739 0.00 0.00 -0.271 OA +ATOM 453 CB ALA 47 -25.654 28.096 63.505 0.00 0.00 0.042 C +ATOM 454 N ALA 48 -23.568 30.645 64.309 0.00 0.00 -0.346 N +ATOM 455 HN ALA 48 -22.964 29.910 64.678 1.00 0.00 0.163 HD +ATOM 456 CA ALA 48 -22.964 31.930 63.911 0.00 0.00 0.172 C +ATOM 457 C ALA 48 -23.393 32.471 62.554 0.00 0.00 0.240 C +ATOM 458 O ALA 48 -23.594 33.673 62.394 0.00 0.00 -0.271 OA +ATOM 459 CB ALA 48 -21.428 31.849 63.981 0.00 0.00 0.042 C +ATOM 460 N THR 49 -23.563 31.583 61.587 0.00 0.00 -0.344 N +ATOM 461 HN THR 49 -23.399 30.597 61.792 1.00 0.00 0.163 HD +ATOM 462 CA THR 49 -23.976 31.960 60.239 0.00 0.00 0.205 C +ATOM 463 C THR 49 -25.218 32.877 60.133 0.00 0.00 0.243 C +ATOM 464 O THR 49 -25.285 33.763 59.261 0.00 0.00 -0.271 OA +ATOM 465 CB THR 49 -24.243 30.687 59.415 0.00 0.00 0.146 C +ATOM 466 OG1 THR 49 -23.053 29.918 59.568 0.00 0.00 -0.393 OA +ATOM 467 CG2 THR 49 -24.315 30.966 57.912 0.00 0.00 0.042 C +ATOM 468 HOG THR 49 -23.144 29.107 59.082 0.00 0.00 0.210 HD +ATOM 469 N GLN 50 -26.193 32.654 61.016 0.00 0.00 -0.346 N +ATOM 470 HN GLN 50 -26.059 31.923 61.715 1.00 0.00 0.163 HD +ATOM 471 CA GLN 50 -27.454 33.416 61.026 0.00 0.00 0.177 C +ATOM 472 C GLN 50 -27.231 34.853 61.420 0.00 0.00 0.241 C +ATOM 473 O GLN 50 -28.061 35.716 61.158 0.00 0.00 -0.271 OA +ATOM 474 CB GLN 50 -28.429 32.802 62.048 0.00 0.00 0.044 C +ATOM 475 CG GLN 50 -28.602 31.301 61.808 0.00 0.00 0.105 C +ATOM 476 CD GLN 50 -29.636 30.708 62.767 0.00 0.00 0.215 C +ATOM 477 OE1 GLN 50 -29.328 29.909 63.636 0.00 0.00 -0.274 OA +ATOM 478 NE2 GLN 50 -30.876 31.143 62.562 0.00 0.00 -0.370 N +ATOM 479 1HE2 GLN 50 -31.134 31.811 61.835 1.00 0.00 0.159 HD +ATOM 480 2HE2 GLN 50 -31.565 30.748 63.201 1.00 0.00 0.159 HD +ATOM 481 N VAL 51 -26.126 35.083 62.115 0.00 0.00 -0.346 N +ATOM 482 HN VAL 51 -25.510 34.300 62.332 1.00 0.00 0.163 HD +ATOM 483 CA VAL 51 -25.761 36.409 62.578 0.00 0.00 0.180 C +ATOM 484 C VAL 51 -24.754 37.106 61.640 0.00 0.00 0.241 C +ATOM 485 O VAL 51 -24.409 38.268 61.840 0.00 0.00 -0.271 OA +ATOM 486 CB VAL 51 -25.267 36.297 64.032 0.00 0.00 0.009 C +ATOM 487 CG1 VAL 51 -24.294 37.429 64.369 0.00 0.00 0.012 C +ATOM 488 CG2 VAL 51 -26.443 36.276 65.011 0.00 0.00 0.012 C +ATOM 489 N ASP 52 -24.370 36.419 60.566 0.00 0.00 -0.345 N +ATOM 490 HN ASP 52 -24.754 35.485 60.424 1.00 0.00 0.163 HD +ATOM 491 CA ASP 52 -23.421 36.941 59.578 0.00 0.00 0.186 C +ATOM 492 C ASP 52 -21.968 36.743 60.041 0.00 0.00 0.241 C +ATOM 493 O ASP 52 -21.073 37.482 59.635 0.00 0.00 -0.271 OA +ATOM 494 CB ASP 52 -23.723 38.417 59.260 0.00 0.00 0.147 C +ATOM 495 CG ASP 52 -23.149 38.924 57.935 0.00 0.00 0.175 C +ATOM 496 OD1 ASP 52 -22.859 38.136 57.022 0.00 0.00 -0.648 OA +ATOM 497 OD2 ASP 52 -23.000 40.203 57.859 0.00 0.00 -0.648 OA +ATOM 498 N ILE 53 -21.752 35.747 60.899 0.00 0.00 -0.346 N +ATOM 499 HN ILE 53 -22.546 35.195 61.223 1.00 0.00 0.163 HD +ATOM 500 CA ILE 53 -20.413 35.417 61.393 0.00 0.00 0.180 C +ATOM 501 C ILE 53 -20.102 34.016 60.875 0.00 0.00 0.241 C +ATOM 502 O ILE 53 -20.590 33.008 61.398 0.00 0.00 -0.271 OA +ATOM 503 CB ILE 53 -20.316 35.482 62.929 0.00 0.00 0.013 C +ATOM 504 CG1 ILE 53 -20.385 36.929 63.422 0.00 0.00 0.002 C +ATOM 505 CG2 ILE 53 -19.062 34.764 63.430 0.00 0.00 0.012 C +ATOM 506 CD1 ILE 53 -20.416 36.986 64.950 0.00 0.00 0.005 C +ATOM 507 N HIS 54 -19.258 33.956 59.856 0.00 0.00 -0.346 N +ATOM 508 HN HIS 54 -18.824 34.812 59.511 1.00 0.00 0.163 HD +ATOM 509 CA HIS 54 -18.945 32.695 59.228 0.00 0.00 0.182 C +ATOM 510 C HIS 54 -17.816 31.819 59.774 0.00 0.00 0.241 C +ATOM 511 O HIS 54 -16.825 31.534 59.078 0.00 0.00 -0.271 OA +ATOM 512 CB HIS 54 -18.877 32.907 57.704 0.00 0.00 0.093 C +ATOM 513 CG HIS 54 -20.110 33.552 57.118 0.00 0.00 0.028 A +ATOM 514 ND1 HIS 54 -20.218 34.916 56.914 0.00 0.00 -0.354 N +ATOM 515 HD1 HIS 54 -19.502 35.610 57.130 1.00 0.00 0.166 HD +ATOM 516 CD2 HIS 54 -21.285 33.005 56.694 0.00 0.00 0.114 A +ATOM 517 CE1 HIS 54 -21.409 35.168 56.391 0.00 0.00 0.180 A +ATOM 518 NE2 HIS 54 -22.069 33.982 56.256 0.00 0.00 -0.360 N +ATOM 519 HE2 HIS 54 -23.010 33.865 55.880 1.00 0.00 0.166 HD +ATOM 520 N GLN 55 -18.043 31.315 60.988 0.00 0.00 -0.346 N +ATOM 521 HN GLN 55 -18.911 31.575 61.456 1.00 0.00 0.163 HD +ATOM 522 CA GLN 55 -17.130 30.414 61.693 0.00 0.00 0.177 C +ATOM 523 C GLN 55 -17.979 29.314 62.332 0.00 0.00 0.241 C +ATOM 524 O GLN 55 -19.146 29.538 62.632 0.00 0.00 -0.271 OA +ATOM 525 CB GLN 55 -16.341 31.155 62.788 0.00 0.00 0.044 C +ATOM 526 CG GLN 55 -15.387 32.183 62.177 0.00 0.00 0.105 C +ATOM 527 CD GLN 55 -14.393 32.697 63.220 0.00 0.00 0.215 C +ATOM 528 OE1 GLN 55 -14.452 33.831 63.666 0.00 0.00 -0.274 OA +ATOM 529 NE2 GLN 55 -13.478 31.802 63.582 0.00 0.00 -0.370 N +ATOM 530 1HE2 GLN 55 -13.429 30.854 63.209 1.00 0.00 0.159 HD +ATOM 531 2HE2 GLN 55 -12.815 32.145 64.277 1.00 0.00 0.159 HD +ATOM 532 N ARG 56 -17.395 28.140 62.560 0.00 0.00 -0.346 N +ATOM 533 HN ARG 56 -16.407 28.025 62.332 1.00 0.00 0.163 HD +ATOM 534 CA ARG 56 -18.128 27.013 63.127 0.00 0.00 0.176 C +ATOM 535 C ARG 56 -18.429 27.085 64.600 0.00 0.00 0.241 C +ATOM 536 O ARG 56 -17.891 26.309 65.395 0.00 0.00 -0.271 OA +ATOM 537 CB ARG 56 -17.407 25.683 62.841 0.00 0.00 0.036 C +ATOM 538 CG ARG 56 -17.107 25.531 61.349 0.00 0.00 0.023 C +ATOM 539 CD ARG 56 -16.628 24.114 61.027 0.00 0.00 0.138 C +ATOM 540 NE ARG 56 -17.587 23.451 60.115 0.00 0.00 -0.227 N +ATOM 541 HE ARG 56 -17.715 23.849 59.184 1.00 0.00 0.177 HD +ATOM 542 CZ ARG 56 -18.303 22.353 60.438 0.00 0.00 0.665 C +ATOM 543 NH1 ARG 56 -18.152 21.813 61.655 0.00 0.00 -0.235 N +ATOM 544 1HH1 ARG 56 -17.506 22.226 62.328 1.00 0.00 0.174 HD +ATOM 545 2HH1 ARG 56 -18.693 20.983 61.899 1.00 0.00 0.174 HD +ATOM 546 NH2 ARG 56 -19.152 21.811 59.554 0.00 0.00 -0.235 N +ATOM 547 1HH2 ARG 56 -19.267 22.222 58.628 1.00 0.00 0.174 HD +ATOM 548 2HH2 ARG 56 -19.693 20.981 59.798 1.00 0.00 0.174 HD +ATOM 549 N ILE 57 -19.322 27.996 64.959 0.00 0.00 -0.346 N +ATOM 550 HN ILE 57 -19.737 28.597 64.247 1.00 0.00 0.163 HD +ATOM 551 CA ILE 57 -19.720 28.156 66.343 0.00 0.00 0.180 C +ATOM 552 C ILE 57 -21.233 27.945 66.444 0.00 0.00 0.241 C +ATOM 553 O ILE 57 -22.004 28.459 65.622 0.00 0.00 -0.271 OA +ATOM 554 CB ILE 57 -19.384 29.559 66.883 0.00 0.00 0.013 C +ATOM 555 CG1 ILE 57 -17.924 29.919 66.602 0.00 0.00 0.002 C +ATOM 556 CG2 ILE 57 -19.727 29.671 68.369 0.00 0.00 0.012 C +ATOM 557 CD1 ILE 57 -17.693 31.425 66.748 0.00 0.00 0.005 C +ATOM 558 N ILE 58 -21.638 27.185 67.455 0.00 0.00 -0.346 N +ATOM 559 HN ILE 58 -20.934 26.786 68.076 1.00 0.00 0.163 HD +ATOM 560 CA ILE 58 -23.050 26.893 67.720 0.00 0.00 0.180 C +ATOM 561 C ILE 58 -23.299 26.953 69.226 0.00 0.00 0.241 C +ATOM 562 O ILE 58 -22.511 26.426 70.010 0.00 0.00 -0.271 OA +ATOM 563 CB ILE 58 -23.411 25.467 67.265 0.00 0.00 0.013 C +ATOM 564 CG1 ILE 58 -23.482 25.380 65.739 0.00 0.00 0.002 C +ATOM 565 CG2 ILE 58 -24.706 24.991 67.927 0.00 0.00 0.012 C +ATOM 566 CD1 ILE 58 -23.338 23.933 65.264 0.00 0.00 0.005 C +ATOM 567 N VAL 59 -24.371 27.632 69.623 0.00 0.00 -0.346 N +ATOM 568 HN VAL 59 -24.935 28.118 68.925 1.00 0.00 0.163 HD +ATOM 569 CA VAL 59 -24.768 27.704 71.034 0.00 0.00 0.180 C +ATOM 570 C VAL 59 -26.176 27.072 71.120 0.00 0.00 0.241 C +ATOM 571 O VAL 59 -26.996 27.230 70.215 0.00 0.00 -0.271 OA +ATOM 572 CB VAL 59 -24.738 29.142 71.585 0.00 0.00 0.009 C +ATOM 573 CG1 VAL 59 -23.345 29.757 71.437 0.00 0.00 0.012 C +ATOM 574 CG2 VAL 59 -25.797 30.012 70.905 0.00 0.00 0.012 C +ATOM 575 N ILE 60 -26.409 26.306 72.172 0.00 0.00 -0.346 N +ATOM 576 HN ILE 60 -25.672 26.201 72.870 1.00 0.00 0.163 HD +ATOM 577 CA ILE 60 -27.667 25.605 72.382 0.00 0.00 0.180 C +ATOM 578 C ILE 60 -28.020 25.650 73.870 0.00 0.00 0.241 C +ATOM 579 O ILE 60 -27.162 25.404 74.724 0.00 0.00 -0.271 OA +ATOM 580 CB ILE 60 -27.523 24.119 72.006 0.00 0.00 0.013 C +ATOM 581 CG1 ILE 60 -27.531 23.935 70.487 0.00 0.00 0.002 C +ATOM 582 CG2 ILE 60 -28.596 23.272 72.692 0.00 0.00 0.012 C +ATOM 583 CD1 ILE 60 -27.204 22.489 70.108 0.00 0.00 0.005 C +ATOM 584 N ASP 61 -29.275 25.976 74.179 0.00 0.00 -0.345 N +ATOM 585 HN ASP 61 -29.918 26.235 73.431 1.00 0.00 0.163 HD +ATOM 586 CA ASP 61 -29.754 25.972 75.558 0.00 0.00 0.186 C +ATOM 587 C ASP 61 -31.226 25.582 75.548 0.00 0.00 0.241 C +ATOM 588 O ASP 61 -32.097 26.333 75.078 0.00 0.00 -0.271 OA +ATOM 589 CB ASP 61 -29.566 27.317 76.284 0.00 0.00 0.147 C +ATOM 590 CG ASP 61 -29.884 27.294 77.780 0.00 0.00 0.175 C +ATOM 591 OD1 ASP 61 -30.090 26.224 78.373 0.00 0.00 -0.648 OA +ATOM 592 OD2 ASP 61 -29.918 28.452 78.349 0.00 0.00 -0.648 OA +ATOM 593 N VAL 62 -31.471 24.399 76.097 0.00 0.00 -0.346 N +ATOM 594 HN VAL 62 -30.689 23.886 76.503 1.00 0.00 0.163 HD +ATOM 595 CA VAL 62 -32.789 23.795 76.152 0.00 0.00 0.180 C +ATOM 596 C VAL 62 -33.504 23.907 77.512 0.00 0.00 0.241 C +ATOM 597 O VAL 62 -34.710 23.684 77.605 0.00 0.00 -0.271 OA +ATOM 598 CB VAL 62 -32.664 22.319 75.732 0.00 0.00 0.009 C +ATOM 599 CG1 VAL 62 -34.043 21.689 75.525 0.00 0.00 0.012 C +ATOM 600 CG2 VAL 62 -31.803 22.178 74.475 0.00 0.00 0.012 C +ATOM 601 N SER 63 -32.767 24.294 78.548 0.00 0.00 -0.344 N +ATOM 602 HN SER 63 -31.782 24.512 78.399 1.00 0.00 0.163 HD +ATOM 603 CA SER 63 -33.322 24.418 79.895 0.00 0.00 0.200 C +ATOM 604 C SER 63 -34.392 25.503 80.034 0.00 0.00 0.243 C +ATOM 605 O SER 63 -34.217 26.612 79.554 0.00 0.00 -0.271 OA +ATOM 606 CB SER 63 -32.190 24.693 80.903 0.00 0.00 0.199 C +ATOM 607 OG SER 63 -31.607 25.979 80.712 0.00 0.00 -0.398 OA +ATOM 608 HOG SER 63 -30.917 26.104 81.353 0.00 0.00 0.209 HD +ATOM 609 N GLU 64 -35.471 25.182 80.739 0.00 0.00 -0.346 N +ATOM 610 HN GLU 64 -35.533 24.242 81.130 1.00 0.00 0.163 HD +ATOM 611 CA GLU 64 -36.576 26.113 80.983 0.00 0.00 0.177 C +ATOM 612 C GLU 64 -36.076 27.378 81.672 0.00 0.00 0.241 C +ATOM 613 O GLU 64 -36.529 28.498 81.416 0.00 0.00 -0.271 OA +ATOM 614 CB GLU 64 -37.602 25.437 81.911 0.00 0.00 0.045 C +ATOM 615 CG GLU 64 -38.481 26.478 82.608 0.00 0.00 0.116 C +ATOM 616 CD GLU 64 -39.277 25.846 83.751 0.00 0.00 0.172 C +ATOM 617 OE1 GLU 64 -38.741 25.008 84.492 0.00 0.00 -0.648 OA +ATOM 618 OE2 GLU 64 -40.496 26.255 83.858 0.00 0.00 -0.648 OA +ATOM 619 N ASN 65 -35.151 27.150 82.584 0.00 0.00 -0.346 N +ATOM 620 HN ASN 65 -34.840 26.188 82.721 1.00 0.00 0.163 HD +ATOM 621 CA ASN 65 -34.551 28.182 83.402 0.00 0.00 0.185 C +ATOM 622 C ASN 65 -33.387 28.946 82.752 0.00 0.00 0.241 C +ATOM 623 O ASN 65 -32.827 29.858 83.368 0.00 0.00 -0.271 OA +ATOM 624 CB ASN 65 -34.115 27.534 84.729 0.00 0.00 0.137 C +ATOM 625 CG ASN 65 -33.869 26.034 84.552 0.00 0.00 0.217 C +ATOM 626 OD1 ASN 65 -34.670 25.198 84.937 0.00 0.00 -0.274 OA +ATOM 627 ND2 ASN 65 -32.720 25.742 83.951 0.00 0.00 -0.370 N +ATOM 628 1HD2 ASN 65 -32.556 24.742 83.833 1.00 0.00 0.159 HD +ATOM 629 2HD2 ASN 65 -32.050 26.441 83.629 1.00 0.00 0.159 HD +ATOM 630 N ARG 66 -33.074 28.619 81.496 0.00 0.00 -0.346 N +ATOM 631 HN ARG 66 -33.628 27.902 81.027 1.00 0.00 0.163 HD +ATOM 632 CA ARG 66 -31.967 29.244 80.757 0.00 0.00 0.176 C +ATOM 633 C ARG 66 -30.624 29.179 81.507 0.00 0.00 0.241 C +ATOM 634 O ARG 66 -29.906 30.168 81.588 0.00 0.00 -0.271 OA +ATOM 635 CB ARG 66 -32.285 30.708 80.399 0.00 0.00 0.036 C +ATOM 636 CG ARG 66 -33.422 30.788 79.378 0.00 0.00 0.023 C +ATOM 637 CD ARG 66 -33.649 32.231 78.923 0.00 0.00 0.138 C +ATOM 638 NE ARG 66 -34.921 32.331 78.174 0.00 0.00 -0.227 N +ATOM 639 HE ARG 66 -35.371 31.465 77.877 1.00 0.00 0.177 HD +ATOM 640 CZ ARG 66 -35.524 33.498 77.859 0.00 0.00 0.665 C +ATOM 641 NH1 ARG 66 -34.952 34.648 78.238 0.00 0.00 -0.235 N +ATOM 642 1HH1 ARG 66 -34.074 34.643 78.757 1.00 0.00 0.174 HD +ATOM 643 2HH1 ARG 66 -35.407 35.529 78.000 1.00 0.00 0.174 HD +ATOM 644 NH2 ARG 66 -36.677 33.504 77.177 0.00 0.00 -0.235 N +ATOM 645 1HH2 ARG 66 -37.113 32.628 76.888 1.00 0.00 0.174 HD +ATOM 646 2HH2 ARG 66 -37.132 34.385 76.939 1.00 0.00 0.174 HD +ATOM 647 N ASP 67 -30.270 28.006 82.023 0.00 0.00 -0.346 N +ATOM 648 HN ASP 67 -30.883 27.200 81.902 1.00 0.00 0.163 HD +ATOM 649 CA ASP 67 -29.017 27.852 82.762 0.00 0.00 0.186 C +ATOM 650 C ASP 67 -28.300 26.528 82.530 0.00 0.00 0.241 C +ATOM 651 O ASP 67 -27.741 25.936 83.457 0.00 0.00 -0.271 OA +ATOM 652 CB ASP 67 -29.240 28.061 84.271 0.00 0.00 0.147 C +ATOM 653 CG ASP 67 -30.355 27.211 84.884 0.00 0.00 0.175 C +ATOM 654 OD1 ASP 67 -30.300 25.972 84.860 0.00 0.00 -0.648 OA +ATOM 655 OD2 ASP 67 -31.324 27.880 85.410 0.00 0.00 -0.648 OA +ATOM 656 N GLU 68 -28.350 26.052 81.294 0.00 0.00 -0.346 N +ATOM 657 HN GLU 68 -28.868 26.575 80.587 1.00 0.00 0.163 HD +ATOM 658 CA GLU 68 -27.694 24.812 80.907 0.00 0.00 0.177 C +ATOM 659 C GLU 68 -27.190 25.084 79.499 0.00 0.00 0.241 C +ATOM 660 O GLU 68 -27.811 24.686 78.512 0.00 0.00 -0.271 OA +ATOM 661 CB GLU 68 -28.690 23.638 80.924 0.00 0.00 0.045 C +ATOM 662 CG GLU 68 -29.195 23.368 82.343 0.00 0.00 0.116 C +ATOM 663 CD GLU 68 -30.185 22.201 82.360 0.00 0.00 0.172 C +ATOM 664 OE1 GLU 68 -30.473 21.617 81.305 0.00 0.00 -0.648 OA +ATOM 665 OE2 GLU 68 -30.660 21.906 83.522 0.00 0.00 -0.648 OA +ATOM 666 N ARG 69 -26.115 25.864 79.426 0.00 0.00 -0.346 N +ATOM 667 HN ARG 69 -25.702 26.206 80.294 1.00 0.00 0.163 HD +ATOM 668 CA ARG 69 -25.500 26.252 78.163 0.00 0.00 0.176 C +ATOM 669 C ARG 69 -24.633 25.149 77.536 0.00 0.00 0.241 C +ATOM 670 O ARG 69 -23.955 24.388 78.233 0.00 0.00 -0.271 OA +ATOM 671 CB ARG 69 -24.692 27.548 78.361 0.00 0.00 0.036 C +ATOM 672 CG ARG 69 -25.610 28.715 78.730 0.00 0.00 0.023 C +ATOM 673 CD ARG 69 -24.806 30.002 78.931 0.00 0.00 0.138 C +ATOM 674 NE ARG 69 -25.632 31.176 78.572 0.00 0.00 -0.227 N +ATOM 675 HE ARG 69 -26.646 31.082 78.627 1.00 0.00 0.177 HD +ATOM 676 CZ ARG 69 -25.128 32.364 78.176 0.00 0.00 0.665 C +ATOM 677 NH1 ARG 69 -23.798 32.510 78.095 0.00 0.00 -0.235 N +ATOM 678 1HH1 ARG 69 -23.177 31.736 78.330 1.00 0.00 0.174 HD +ATOM 679 2HH1 ARG 69 -23.417 33.408 77.796 1.00 0.00 0.174 HD +ATOM 680 NH2 ARG 69 -25.944 33.381 77.867 0.00 0.00 -0.235 N +ATOM 681 1HH2 ARG 69 -26.956 33.270 77.929 1.00 0.00 0.174 HD +ATOM 682 2HH2 ARG 69 -25.563 34.279 77.568 1.00 0.00 0.174 HD +ATOM 683 N LEU 70 -24.734 25.022 76.219 0.00 0.00 -0.346 N +ATOM 684 HN LEU 70 -25.371 25.639 75.715 1.00 0.00 0.163 HD +ATOM 685 CA LEU 70 -23.970 24.035 75.462 0.00 0.00 0.177 C +ATOM 686 C LEU 70 -23.327 24.803 74.315 0.00 0.00 0.241 C +ATOM 687 O LEU 70 -24.016 25.513 73.571 0.00 0.00 -0.271 OA +ATOM 688 CB LEU 70 -24.898 22.938 74.906 0.00 0.00 0.038 C +ATOM 689 CG LEU 70 -24.216 21.820 74.115 0.00 0.00 -0.020 C +ATOM 690 CD1 LEU 70 -23.362 20.943 75.033 0.00 0.00 0.009 C +ATOM 691 CD2 LEU 70 -25.241 21.001 73.330 0.00 0.00 0.009 C +ATOM 692 N VAL 71 -22.002 24.709 74.226 0.00 0.00 -0.346 N +ATOM 693 HN VAL 71 -21.504 24.143 74.912 1.00 0.00 0.163 HD +ATOM 694 CA VAL 71 -21.234 25.386 73.183 0.00 0.00 0.180 C +ATOM 695 C VAL 71 -20.555 24.345 72.289 0.00 0.00 0.241 C +ATOM 696 O VAL 71 -19.862 23.448 72.778 0.00 0.00 -0.271 OA +ATOM 697 CB VAL 71 -20.175 26.324 73.791 0.00 0.00 0.009 C +ATOM 698 CG1 VAL 71 -19.304 26.949 72.699 0.00 0.00 0.012 C +ATOM 699 CG2 VAL 71 -20.830 27.404 74.655 0.00 0.00 0.012 C +ATOM 700 N LEU 72 -20.797 24.443 70.988 0.00 0.00 -0.346 N +ATOM 701 HN LEU 72 -21.407 25.189 70.653 1.00 0.00 0.163 HD +ATOM 702 CA LEU 72 -20.219 23.519 70.024 0.00 0.00 0.177 C +ATOM 703 C LEU 72 -19.393 24.288 69.002 0.00 0.00 0.241 C +ATOM 704 O LEU 72 -19.945 24.942 68.097 0.00 0.00 -0.271 OA +ATOM 705 CB LEU 72 -21.305 22.727 69.272 0.00 0.00 0.038 C +ATOM 706 CG LEU 72 -22.192 21.824 70.131 0.00 0.00 -0.020 C +ATOM 707 CD1 LEU 72 -23.054 20.911 69.257 0.00 0.00 0.009 C +ATOM 708 CD2 LEU 72 -21.357 21.032 71.138 0.00 0.00 0.009 C +ATOM 709 N ILE 73 -18.074 24.239 69.191 0.00 0.00 -0.346 N +ATOM 710 HN ILE 73 -17.718 23.724 69.996 1.00 0.00 0.163 HD +ATOM 711 CA ILE 73 -17.115 24.887 68.301 0.00 0.00 0.180 C +ATOM 712 C ILE 73 -16.440 23.758 67.523 0.00 0.00 0.241 C +ATOM 713 O ILE 73 -16.048 22.734 68.085 0.00 0.00 -0.271 OA +ATOM 714 CB ILE 73 -16.117 25.757 69.087 0.00 0.00 0.013 C +ATOM 715 CG1 ILE 73 -16.754 27.084 69.504 0.00 0.00 0.002 C +ATOM 716 CG2 ILE 73 -14.826 25.965 68.292 0.00 0.00 0.012 C +ATOM 717 CD1 ILE 73 -15.766 27.942 70.296 0.00 0.00 0.005 C +ATOM 718 N ASN 74 -16.363 23.924 66.217 0.00 0.00 -0.346 N +ATOM 719 HN ASN 74 -16.710 24.790 65.804 1.00 0.00 0.163 HD +ATOM 720 CA ASN 74 -15.794 22.900 65.351 0.00 0.00 0.185 C +ATOM 721 C ASN 74 -16.402 21.535 65.657 0.00 0.00 0.243 C +ATOM 722 O ASN 74 -15.694 20.622 66.100 0.00 0.00 -0.271 OA +ATOM 723 CB ASN 74 -14.263 22.819 65.494 0.00 0.00 0.137 C +ATOM 724 CG ASN 74 -13.596 24.100 64.988 0.00 0.00 0.217 C +ATOM 725 OD1 ASN 74 -14.182 24.892 64.269 0.00 0.00 -0.274 OA +ATOM 726 ND2 ASN 74 -12.342 24.256 65.402 0.00 0.00 -0.370 N +ATOM 727 1HD2 ASN 74 -11.897 25.110 65.065 1.00 0.00 0.159 HD +ATOM 728 2HD2 ASN 74 -11.852 23.594 66.003 1.00 0.00 0.159 HD +ATOM 729 N PRO 75 -17.743 21.405 65.529 0.00 0.00 -0.337 N +ATOM 730 CA PRO 75 -18.369 20.103 65.801 0.00 0.00 0.179 C +ATOM 731 C PRO 75 -18.171 19.143 64.622 0.00 0.00 0.241 C +ATOM 732 O PRO 75 -18.089 19.548 63.475 0.00 0.00 -0.271 OA +ATOM 733 CB PRO 75 -19.771 20.383 66.160 0.00 0.00 0.037 C +ATOM 734 CG PRO 75 -20.064 21.776 65.626 0.00 0.00 0.022 C +ATOM 735 CD PRO 75 -18.736 22.432 65.283 0.00 0.00 0.127 C +ATOM 736 N GLU 76 -18.149 17.862 64.918 0.00 0.00 -0.346 N +ATOM 737 HN GLU 76 -18.283 17.581 65.889 1.00 0.00 0.163 HD +ATOM 738 CA GLU 76 -17.943 16.839 63.923 0.00 0.00 0.177 C +ATOM 739 C GLU 76 -18.879 15.709 64.287 0.00 0.00 0.241 C +ATOM 740 O GLU 76 -18.950 15.317 65.448 0.00 0.00 -0.271 OA +ATOM 741 CB GLU 76 -16.496 16.323 64.027 0.00 0.00 0.045 C +ATOM 742 CG GLU 76 -16.166 15.376 62.871 0.00 0.00 0.116 C +ATOM 743 CD GLU 76 -14.923 14.541 63.184 0.00 0.00 0.172 C +ATOM 744 OE1 GLU 76 -14.089 14.954 64.004 0.00 0.00 -0.648 OA +ATOM 745 OE2 GLU 76 -14.840 13.426 62.542 0.00 0.00 -0.648 OA +ATOM 746 N LEU 77 -19.622 15.205 63.309 0.00 0.00 -0.346 N +ATOM 747 HN LEU 77 -19.546 15.596 62.370 1.00 0.00 0.163 HD +ATOM 748 CA LEU 77 -20.547 14.099 63.553 0.00 0.00 0.177 C +ATOM 749 C LEU 77 -19.771 12.794 63.491 0.00 0.00 0.241 C +ATOM 750 O LEU 77 -19.162 12.492 62.475 0.00 0.00 -0.271 OA +ATOM 751 CB LEU 77 -21.663 14.076 62.492 0.00 0.00 0.038 C +ATOM 752 CG LEU 77 -22.646 12.907 62.578 0.00 0.00 -0.020 C +ATOM 753 CD1 LEU 77 -23.457 12.966 63.874 0.00 0.00 0.009 C +ATOM 754 CD2 LEU 77 -23.546 12.855 61.342 0.00 0.00 0.009 C +ATOM 755 N LEU 78 -19.771 12.028 64.575 0.00 0.00 -0.346 N +ATOM 756 HN LEU 78 -20.271 12.328 65.412 1.00 0.00 0.163 HD +ATOM 757 CA LEU 78 -19.056 10.759 64.569 0.00 0.00 0.177 C +ATOM 758 C LEU 78 -19.949 9.623 64.071 0.00 0.00 0.241 C +ATOM 759 O LEU 78 -19.504 8.776 63.304 0.00 0.00 -0.271 OA +ATOM 760 CB LEU 78 -18.489 10.434 65.964 0.00 0.00 0.038 C +ATOM 761 CG LEU 78 -17.677 11.545 66.633 0.00 0.00 -0.020 C +ATOM 762 CD1 LEU 78 -17.123 11.082 67.982 0.00 0.00 0.009 C +ATOM 763 CD2 LEU 78 -16.572 12.052 65.703 0.00 0.00 0.009 C +ATOM 764 N GLU 79 -21.207 9.608 64.512 0.00 0.00 -0.346 N +ATOM 765 HN GLU 79 -21.513 10.339 65.154 1.00 0.00 0.163 HD +ATOM 766 CA GLU 79 -22.164 8.579 64.107 0.00 0.00 0.177 C +ATOM 767 C GLU 79 -23.598 9.074 64.262 0.00 0.00 0.241 C +ATOM 768 O GLU 79 -23.833 10.086 64.915 0.00 0.00 -0.271 OA +ATOM 769 CB GLU 79 -21.956 7.293 64.928 0.00 0.00 0.045 C +ATOM 770 CG GLU 79 -21.633 7.620 66.387 0.00 0.00 0.116 C +ATOM 771 CD GLU 79 -21.078 6.393 67.114 0.00 0.00 0.172 C +ATOM 772 OE1 GLU 79 -21.666 5.943 68.108 0.00 0.00 -0.648 OA +ATOM 773 OE2 GLU 79 -19.996 5.904 66.610 0.00 0.00 -0.648 OA +ATOM 774 N LYS 80 -24.536 8.382 63.621 0.00 0.00 -0.346 N +ATOM 775 HN LYS 80 -24.252 7.572 63.070 1.00 0.00 0.163 HD +ATOM 776 CA LYS 80 -25.958 8.729 63.670 0.00 0.00 0.176 C +ATOM 777 C LYS 80 -26.799 7.479 63.437 0.00 0.00 0.241 C +ATOM 778 O LYS 80 -26.318 6.516 62.842 0.00 0.00 -0.271 OA +ATOM 779 CB LYS 80 -26.311 9.791 62.612 0.00 0.00 0.035 C +ATOM 780 CG LYS 80 -26.094 9.249 61.198 0.00 0.00 0.004 C +ATOM 781 CD LYS 80 -26.362 10.331 60.149 0.00 0.00 0.027 C +ATOM 782 CE LYS 80 -26.673 9.708 58.787 0.00 0.00 0.229 C +ATOM 783 NZ LYS 80 -27.052 10.750 57.818 0.00 0.00 -0.079 N +ATOM 784 HZ1 LYS 80 -27.259 10.335 56.910 1.00 0.00 0.274 HD +ATOM 785 HZ2 LYS 80 -26.342 11.479 57.748 1.00 0.00 0.274 HD +ATOM 786 HZ3 LYS 80 -27.825 11.322 58.159 1.00 0.00 0.274 HD +ATOM 787 N SER 81 -28.043 7.484 63.920 0.00 0.00 -0.344 N +ATOM 788 HN SER 81 -28.379 8.302 64.428 1.00 0.00 0.163 HD +ATOM 789 CA SER 81 -28.935 6.336 63.734 0.00 0.00 0.200 C +ATOM 790 C SER 81 -30.416 6.700 63.833 0.00 0.00 0.242 C +ATOM 791 O SER 81 -30.784 7.646 64.537 0.00 0.00 -0.271 OA +ATOM 792 CB SER 81 -28.602 5.209 64.729 0.00 0.00 0.199 C +ATOM 793 OG SER 81 -28.818 5.608 66.080 0.00 0.00 -0.398 OA +ATOM 794 HOG SER 81 -28.601 4.883 66.655 0.00 0.00 0.209 HD +ATOM 795 N GLY 82 -31.244 5.936 63.119 0.00 0.00 -0.350 N +ATOM 796 HN GLY 82 -30.849 5.178 62.562 1.00 0.00 0.163 HD +ATOM 797 CA GLY 82 -32.697 6.136 63.098 0.00 0.00 0.225 C +ATOM 798 C GLY 82 -33.269 7.383 62.423 0.00 0.00 0.236 C +ATOM 799 O GLY 82 -32.528 8.223 61.892 0.00 0.00 -0.272 OA +ATOM 800 N GLU 83 -34.603 7.469 62.365 0.00 0.00 -0.346 N +ATOM 801 HN GLU 83 -35.167 6.699 62.726 1.00 0.00 0.163 HD +ATOM 802 CA GLU 83 -35.280 8.649 61.792 0.00 0.00 0.177 C +ATOM 803 C GLU 83 -36.300 9.160 62.806 0.00 0.00 0.241 C +ATOM 804 O GLU 83 -36.808 8.397 63.635 0.00 0.00 -0.271 OA +ATOM 805 CB GLU 83 -36.014 8.376 60.466 0.00 0.00 0.045 C +ATOM 806 CG GLU 83 -35.522 7.077 59.824 0.00 0.00 0.116 C +ATOM 807 CD GLU 83 -35.955 5.862 60.646 0.00 0.00 0.172 C +ATOM 808 OE1 GLU 83 -37.142 5.731 60.982 0.00 0.00 -0.648 OA +ATOM 809 OE2 GLU 83 -35.010 5.033 60.935 0.00 0.00 -0.648 OA +ATOM 810 N THR 84 -36.634 10.436 62.699 0.00 0.00 -0.344 N +ATOM 811 HN THR 84 -36.229 10.993 61.947 1.00 0.00 0.163 HD +ATOM 812 CA THR 84 -37.554 11.061 63.616 0.00 0.00 0.205 C +ATOM 813 C THR 84 -37.892 12.387 62.992 0.00 0.00 0.243 C +ATOM 814 O THR 84 -37.460 12.660 61.871 0.00 0.00 -0.271 OA +ATOM 815 CB THR 84 -36.910 11.254 65.001 0.00 0.00 0.146 C +ATOM 816 OG1 THR 84 -37.998 11.631 65.841 0.00 0.00 -0.393 OA +ATOM 817 CG2 THR 84 -35.970 12.461 65.047 0.00 0.00 0.042 C +ATOM 818 HOG THR 84 -37.674 11.769 66.723 0.00 0.00 0.210 HD +ATOM 819 N GLY 85 -38.661 13.203 63.704 0.00 0.00 -0.350 N +ATOM 820 HN GLY 85 -38.975 12.922 64.633 1.00 0.00 0.163 HD +ATOM 821 CA GLY 85 -39.055 14.486 63.171 0.00 0.00 0.225 C +ATOM 822 C GLY 85 -40.122 15.183 63.989 0.00 0.00 0.236 C +ATOM 823 O GLY 85 -41.127 14.572 64.410 0.00 0.00 -0.272 OA +ATOM 824 N ILE 86 -39.883 16.462 64.250 0.00 0.00 -0.346 N +ATOM 825 HN ILE 86 -39.008 16.877 63.929 1.00 0.00 0.163 HD +ATOM 826 CA ILE 86 -40.832 17.292 64.982 0.00 0.00 0.180 C +ATOM 827 C ILE 86 -41.052 18.502 64.094 0.00 0.00 0.241 C +ATOM 828 O ILE 86 -40.422 18.608 63.024 0.00 0.00 -0.271 OA +ATOM 829 CB ILE 86 -40.311 17.728 66.364 0.00 0.00 0.013 C +ATOM 830 CG1 ILE 86 -39.010 18.523 66.234 0.00 0.00 0.002 C +ATOM 831 CG2 ILE 86 -40.158 16.525 67.297 0.00 0.00 0.012 C +ATOM 832 CD1 ILE 86 -38.500 18.967 67.607 0.00 0.00 0.005 C +ATOM 833 N GLU 87 -41.997 19.362 64.463 0.00 0.00 -0.346 N +ATOM 834 HN GLU 87 -42.543 19.183 65.306 1.00 0.00 0.163 HD +ATOM 835 CA GLU 87 -42.259 20.563 63.669 0.00 0.00 0.177 C +ATOM 836 C GLU 87 -41.224 21.557 64.144 0.00 0.00 0.241 C +ATOM 837 O GLU 87 -41.158 21.846 65.332 0.00 0.00 -0.271 OA +ATOM 838 CB GLU 87 -43.685 21.105 63.880 0.00 0.00 0.045 C +ATOM 839 CG GLU 87 -44.725 20.168 63.260 0.00 0.00 0.116 C +ATOM 840 CD GLU 87 -46.103 20.831 63.217 0.00 0.00 0.172 C +ATOM 841 OE1 GLU 87 -46.206 22.058 63.365 0.00 0.00 -0.648 OA +ATOM 842 OE2 GLU 87 -47.090 20.024 63.021 0.00 0.00 -0.648 OA +ATOM 843 N GLU 88 -40.358 21.990 63.232 0.00 0.00 -0.346 N +ATOM 844 HN GLU 88 -40.457 21.668 62.269 1.00 0.00 0.163 HD +ATOM 845 CA GLU 88 -39.270 22.909 63.557 0.00 0.00 0.177 C +ATOM 846 C GLU 88 -39.521 24.262 62.975 0.00 0.00 0.240 C +ATOM 847 O GLU 88 -40.094 24.395 61.898 0.00 0.00 -0.271 OA +ATOM 848 CB GLU 88 -37.934 22.424 62.964 0.00 0.00 0.045 C +ATOM 849 CG GLU 88 -37.593 21.017 63.458 0.00 0.00 0.116 C +ATOM 850 CD GLU 88 -36.268 20.534 62.865 0.00 0.00 0.172 C +ATOM 851 OE1 GLU 88 -35.450 21.354 62.424 0.00 0.00 -0.648 OA +ATOM 852 OE2 GLU 88 -36.102 19.254 62.873 0.00 0.00 -0.648 OA +ATOM 853 N GLY 89 -39.110 25.271 63.713 0.00 0.00 -0.351 N +ATOM 854 HN GLY 89 -38.707 25.098 64.634 1.00 0.00 0.163 HD +ATOM 855 CA GLY 89 -39.229 26.621 63.222 0.00 0.00 0.225 C +ATOM 856 C GLY 89 -37.794 27.111 63.214 0.00 0.00 0.236 C +ATOM 857 O GLY 89 -36.928 26.541 63.898 0.00 0.00 -0.272 OA +ATOM 858 N CYM 90 -37.526 28.158 62.455 0.00 0.00 -0.346 N +ATOM 859 HN CYM 90 -38.273 28.590 61.910 1.00 0.00 0.163 HD +ATOM 860 CA CYM 90 -36.179 28.703 62.386 0.00 0.00 0.186 C +ATOM 861 C CYM 90 -36.254 30.222 62.482 0.00 0.00 0.241 C +ATOM 862 O CYM 90 -37.153 30.835 61.900 0.00 0.00 -0.271 OA +ATOM 863 CB CYM 90 -35.505 28.265 61.073 0.00 0.00 0.120 C +ATOM 864 SG CYM 90 -33.933 29.100 60.707 0.00 0.00 -0.095 SA +ATOM 865 N LEU 91 -35.341 30.826 63.242 0.00 0.00 -0.346 N +ATOM 866 HN LEU 91 -34.648 30.264 63.736 1.00 0.00 0.163 HD +ATOM 867 CA LEU 91 -35.317 32.287 63.380 0.00 0.00 0.177 C +ATOM 868 C LEU 91 -35.084 32.953 62.006 0.00 0.00 0.241 C +ATOM 869 O LEU 91 -35.606 34.032 61.728 0.00 0.00 -0.271 OA +ATOM 870 CB LEU 91 -34.261 32.719 64.414 0.00 0.00 0.038 C +ATOM 871 CG LEU 91 -34.478 32.220 65.844 0.00 0.00 -0.020 C +ATOM 872 CD1 LEU 91 -33.250 32.495 66.713 0.00 0.00 0.009 C +ATOM 873 CD2 LEU 91 -35.752 32.816 66.446 0.00 0.00 0.009 C +ATOM 874 N SER 92 -34.364 32.270 61.119 0.00 0.00 -0.344 N +ATOM 875 HN SER 92 -33.995 31.355 61.377 1.00 0.00 0.163 HD +ATOM 876 CA SER 92 -34.087 32.801 59.779 0.00 0.00 0.200 C +ATOM 877 C SER 92 -35.284 32.674 58.816 0.00 0.00 0.243 C +ATOM 878 O SER 92 -35.308 33.292 57.746 0.00 0.00 -0.271 OA +ATOM 879 CB SER 92 -32.826 32.130 59.205 0.00 0.00 0.199 C +ATOM 880 OG SER 92 -31.686 32.336 60.035 0.00 0.00 -0.398 OA +ATOM 881 HOG SER 92 -30.935 31.906 59.643 0.00 0.00 0.209 HD +ATOM 882 N ILE 93 -36.274 31.867 59.195 0.00 0.00 -0.346 N +ATOM 883 HN ILE 93 -36.181 31.355 60.072 1.00 0.00 0.163 HD +ATOM 884 CA ILE 93 -37.492 31.686 58.400 0.00 0.00 0.181 C +ATOM 885 C ILE 93 -38.566 32.129 59.418 0.00 0.00 0.247 C +ATOM 886 O ILE 93 -39.492 31.370 59.746 0.00 0.00 -0.271 OA +ATOM 887 CB ILE 93 -37.635 30.217 57.960 0.00 0.00 0.013 C +ATOM 888 CG1 ILE 93 -36.395 29.752 57.193 0.00 0.00 0.002 C +ATOM 889 CG2 ILE 93 -38.919 30.008 57.155 0.00 0.00 0.012 C +ATOM 890 CD1 ILE 93 -36.475 28.256 56.878 0.00 0.00 0.005 C +ATOM 891 N PRO 94 -38.499 33.422 59.821 0.00 0.00 -0.311 N +ATOM 892 CA PRO 94 -39.276 34.225 60.766 0.00 0.00 0.101 C +ATOM 893 C PRO 94 -40.304 33.549 61.670 0.00 0.00 0.268 C +ATOM 894 O PRO 94 -40.077 33.409 62.875 0.00 0.00 -0.266 OA +ATOM 895 CB PRO 94 -39.058 35.585 60.572 0.00 0.00 0.010 C +ATOM 896 CG PRO 94 -38.540 35.674 59.145 0.00 0.00 0.050 C +ATOM 897 CD PRO 94 -38.132 34.277 58.709 0.00 0.00 0.136 C +ATOM 898 N GLU 95 -41.425 33.126 61.092 0.00 0.00 -0.342 N +ATOM 899 HN GLU 95 -41.526 33.233 60.083 1.00 0.00 0.163 HD +ATOM 900 CA GLU 95 -42.517 32.515 61.844 0.00 0.00 0.177 C +ATOM 901 C GLU 95 -43.183 31.362 61.091 0.00 0.00 0.241 C +ATOM 902 O GLU 95 -44.405 31.346 60.909 0.00 0.00 -0.271 OA +ATOM 903 CB GLU 95 -43.570 33.595 62.152 0.00 0.00 0.045 C +ATOM 904 CG GLU 95 -42.946 34.770 62.908 0.00 0.00 0.116 C +ATOM 905 CD GLU 95 -43.884 35.979 62.914 0.00 0.00 0.172 C +ATOM 906 OE1 GLU 95 -44.156 36.558 61.852 0.00 0.00 -0.648 OA +ATOM 907 OE2 GLU 95 -44.338 36.311 64.074 0.00 0.00 -0.648 OA +ATOM 908 N GLN 96 -42.396 30.375 60.691 0.00 0.00 -0.346 N +ATOM 909 HN GLN 96 -41.398 30.410 60.901 1.00 0.00 0.163 HD +ATOM 910 CA GLN 96 -42.934 29.244 59.958 0.00 0.00 0.177 C +ATOM 911 C GLN 96 -42.446 27.975 60.640 0.00 0.00 0.241 C +ATOM 912 O GLN 96 -41.394 27.982 61.280 0.00 0.00 -0.271 OA +ATOM 913 CB GLN 96 -42.470 29.306 58.491 0.00 0.00 0.044 C +ATOM 914 CG GLN 96 -43.659 29.500 57.548 0.00 0.00 0.105 C +ATOM 915 CD GLN 96 -44.346 30.844 57.801 0.00 0.00 0.215 C +ATOM 916 OE1 GLN 96 -43.720 31.889 57.864 0.00 0.00 -0.274 OA +ATOM 917 NE2 GLN 96 -45.666 30.758 57.943 0.00 0.00 -0.370 N +ATOM 918 1HE2 GLN 96 -46.189 29.884 57.890 1.00 0.00 0.159 HD +ATOM 919 2HE2 GLN 96 -46.124 31.654 58.112 1.00 0.00 0.159 HD +ATOM 920 N ARG 97 -43.231 26.906 60.542 0.00 0.00 -0.346 N +ATOM 921 HN ARG 97 -44.107 26.984 60.026 1.00 0.00 0.163 HD +ATOM 922 CA ARG 97 -42.881 25.625 61.148 0.00 0.00 0.176 C +ATOM 923 C ARG 97 -43.214 24.483 60.227 0.00 0.00 0.241 C +ATOM 924 O ARG 97 -44.212 24.536 59.497 0.00 0.00 -0.271 OA +ATOM 925 CB ARG 97 -43.607 25.410 62.489 0.00 0.00 0.036 C +ATOM 926 CG ARG 97 -43.169 26.450 63.522 0.00 0.00 0.023 C +ATOM 927 CD ARG 97 -43.399 25.939 64.946 0.00 0.00 0.138 C +ATOM 928 NE ARG 97 -43.079 27.003 65.924 0.00 0.00 -0.227 N +ATOM 929 HE ARG 97 -42.498 27.781 65.611 1.00 0.00 0.177 HD +ATOM 930 CZ ARG 97 -43.508 27.009 67.204 0.00 0.00 0.665 C +ATOM 931 NH1 ARG 97 -44.273 25.998 67.637 0.00 0.00 -0.235 N +ATOM 932 1HH1 ARG 97 -44.527 25.235 67.010 1.00 0.00 0.174 HD +ATOM 933 2HH1 ARG 97 -44.597 26.003 68.604 1.00 0.00 0.174 HD +ATOM 934 NH2 ARG 97 -43.174 28.011 68.028 0.00 0.00 -0.235 N +ATOM 935 1HH2 ARG 97 -42.592 28.781 67.698 1.00 0.00 0.174 HD +ATOM 936 2HH2 ARG 97 -43.498 28.016 68.995 1.00 0.00 0.174 HD +ATOM 937 N ALA 98 -42.402 23.435 60.272 0.00 0.00 -0.346 N +ATOM 938 HN ALA 98 -41.603 23.446 60.907 1.00 0.00 0.163 HD +ATOM 939 CA ALA 98 -42.630 22.278 59.437 0.00 0.00 0.172 C +ATOM 940 C ALA 98 -41.893 21.067 59.982 0.00 0.00 0.240 C +ATOM 941 O ALA 98 -40.886 21.207 60.689 0.00 0.00 -0.271 OA +ATOM 942 CB ALA 98 -42.188 22.575 57.992 0.00 0.00 0.042 C +ATOM 943 N LEU 99 -42.435 19.885 59.697 0.00 0.00 -0.346 N +ATOM 944 HN LEU 99 -43.294 19.873 59.147 1.00 0.00 0.163 HD +ATOM 945 CA LEU 99 -41.878 18.610 60.121 0.00 0.00 0.177 C +ATOM 946 C LEU 99 -40.717 18.344 59.175 0.00 0.00 0.241 C +ATOM 947 O LEU 99 -40.891 18.395 57.963 0.00 0.00 -0.271 OA +ATOM 948 CB LEU 99 -42.926 17.497 59.931 0.00 0.00 0.038 C +ATOM 949 CG LEU 99 -42.862 16.339 60.928 0.00 0.00 -0.020 C +ATOM 950 CD1 LEU 99 -43.147 15.004 60.236 0.00 0.00 0.009 C +ATOM 951 CD2 LEU 99 -41.525 16.326 61.670 0.00 0.00 0.009 C +ATOM 952 N VAL 100 -39.549 18.026 59.736 0.00 0.00 -0.346 N +ATOM 953 HN VAL 100 -39.490 17.970 60.753 1.00 0.00 0.163 HD +ATOM 954 CA VAL 100 -38.353 17.755 58.944 0.00 0.00 0.180 C +ATOM 955 C VAL 100 -37.760 16.428 59.371 0.00 0.00 0.243 C +ATOM 956 O VAL 100 -37.695 16.142 60.560 0.00 0.00 -0.271 OA +ATOM 957 CB VAL 100 -37.312 18.872 59.145 0.00 0.00 0.009 C +ATOM 958 CG1 VAL 100 -36.043 18.590 58.338 0.00 0.00 0.012 C +ATOM 959 CG2 VAL 100 -37.898 20.239 58.785 0.00 0.00 0.012 C +ATOM 960 N PRO 101 -37.434 15.547 58.409 0.00 0.00 -0.337 N +ATOM 961 CA PRO 101 -36.844 14.260 58.780 0.00 0.00 0.179 C +ATOM 962 C PRO 101 -35.403 14.461 59.303 0.00 0.00 0.241 C +ATOM 963 O PRO 101 -34.619 15.237 58.723 0.00 0.00 -0.271 OA +ATOM 964 CB PRO 101 -37.083 13.338 57.667 0.00 0.00 0.037 C +ATOM 965 CG PRO 101 -37.374 14.223 56.466 0.00 0.00 0.022 C +ATOM 966 CD PRO 101 -37.655 15.626 56.978 0.00 0.00 0.127 C +ATOM 967 N ARG 102 -35.100 13.823 60.435 0.00 0.00 -0.346 N +ATOM 968 HN ARG 102 -35.807 13.229 60.867 1.00 0.00 0.163 HD +ATOM 969 CA ARG 102 -33.802 13.942 61.076 0.00 0.00 0.176 C +ATOM 970 C ARG 102 -33.393 12.604 61.629 0.00 0.00 0.241 C +ATOM 971 O ARG 102 -34.229 11.717 61.796 0.00 0.00 -0.271 OA +ATOM 972 CB ARG 102 -33.856 14.962 62.228 0.00 0.00 0.036 C +ATOM 973 CG ARG 102 -34.668 16.196 61.830 0.00 0.00 0.023 C +ATOM 974 CD ARG 102 -33.841 17.473 61.992 0.00 0.00 0.138 C +ATOM 975 NE ARG 102 -32.844 17.572 60.902 0.00 0.00 -0.227 N +ATOM 976 HE ARG 102 -32.429 16.708 60.554 1.00 0.00 0.177 HD +ATOM 977 CZ ARG 102 -32.450 18.735 60.340 0.00 0.00 0.665 C +ATOM 978 NH1 ARG 102 -32.981 19.883 60.782 0.00 0.00 -0.235 N +ATOM 979 1HH1 ARG 102 -33.673 19.879 61.531 1.00 0.00 0.174 HD +ATOM 980 2HH1 ARG 102 -32.683 20.761 60.358 1.00 0.00 0.174 HD +ATOM 981 NH2 ARG 102 -31.541 18.740 59.356 0.00 0.00 -0.235 N +ATOM 982 1HH2 ARG 102 -31.137 17.866 59.020 1.00 0.00 0.174 HD +ATOM 983 2HH2 ARG 102 -31.243 19.618 58.932 1.00 0.00 0.174 HD +ATOM 984 N ALA 103 -32.092 12.426 61.855 0.00 0.00 -0.346 N +ATOM 985 HN ALA 103 -31.434 13.168 61.616 1.00 0.00 0.163 HD +ATOM 986 CA ALA 103 -31.597 11.185 62.439 0.00 0.00 0.172 C +ATOM 987 C ALA 103 -32.077 11.258 63.881 0.00 0.00 0.240 C +ATOM 988 O ALA 103 -32.113 12.352 64.478 0.00 0.00 -0.271 OA +ATOM 989 CB ALA 103 -30.060 11.121 62.377 0.00 0.00 0.042 C +ATOM 990 N GLU 104 -32.451 10.110 64.437 0.00 0.00 -0.346 N +ATOM 991 HN GLU 104 -32.391 9.251 63.891 1.00 0.00 0.163 HD +ATOM 992 CA GLU 104 -32.948 10.046 65.816 0.00 0.00 0.177 C +ATOM 993 C GLU 104 -31.855 10.229 66.870 0.00 0.00 0.241 C +ATOM 994 O GLU 104 -32.040 10.956 67.856 0.00 0.00 -0.271 OA +ATOM 995 CB GLU 104 -33.707 8.730 66.069 0.00 0.00 0.045 C +ATOM 996 CG GLU 104 -34.356 8.729 67.455 0.00 0.00 0.116 C +ATOM 997 CD GLU 104 -34.766 7.314 67.867 0.00 0.00 0.172 C +ATOM 998 OE1 GLU 104 -34.536 6.357 67.113 0.00 0.00 -0.648 OA +ATOM 999 OE2 GLU 104 -35.342 7.227 69.018 0.00 0.00 -0.648 OA +ATOM 1000 N LYS 105 -30.720 9.569 66.656 0.00 0.00 -0.346 N +ATOM 1001 HN LYS 105 -30.642 8.984 65.824 1.00 0.00 0.163 HD +ATOM 1002 CA LYS 105 -29.574 9.651 67.573 0.00 0.00 0.176 C +ATOM 1003 C LYS 105 -28.291 10.106 66.872 0.00 0.00 0.241 C +ATOM 1004 O LYS 105 -28.041 9.719 65.735 0.00 0.00 -0.271 OA +ATOM 1005 CB LYS 105 -29.302 8.278 68.214 0.00 0.00 0.035 C +ATOM 1006 CG LYS 105 -30.468 7.848 69.107 0.00 0.00 0.004 C +ATOM 1007 CD LYS 105 -30.161 6.525 69.810 0.00 0.00 0.027 C +ATOM 1008 CE LYS 105 -31.329 6.094 70.700 0.00 0.00 0.229 C +ATOM 1009 NZ LYS 105 -31.152 4.702 71.145 0.00 0.00 -0.079 N +ATOM 1010 HZ1 LYS 105 -31.930 4.415 71.738 1.00 0.00 0.274 HD +ATOM 1011 HZ2 LYS 105 -30.253 4.563 71.606 1.00 0.00 0.274 HD +ATOM 1012 HZ3 LYS 105 -31.020 4.066 70.358 1.00 0.00 0.274 HD +ATOM 1013 N VAL 106 -27.497 10.930 67.555 0.00 0.00 -0.346 N +ATOM 1014 HN VAL 106 -27.793 11.249 68.477 1.00 0.00 0.163 HD +ATOM 1015 CA VAL 106 -26.203 11.395 67.019 0.00 0.00 0.180 C +ATOM 1016 C VAL 106 -25.087 11.444 68.068 0.00 0.00 0.241 C +ATOM 1017 O VAL 106 -25.337 11.718 69.246 0.00 0.00 -0.271 OA +ATOM 1018 CB VAL 106 -26.268 12.789 66.368 0.00 0.00 0.009 C +ATOM 1019 CG1 VAL 106 -27.124 12.763 65.100 0.00 0.00 0.012 C +ATOM 1020 CG2 VAL 106 -26.787 13.833 67.359 0.00 0.00 0.012 C +ATOM 1021 N LYS 107 -23.867 11.126 67.631 0.00 0.00 -0.346 N +ATOM 1022 HN LYS 107 -23.753 10.818 66.665 1.00 0.00 0.163 HD +ATOM 1023 CA LYS 107 -22.682 11.206 68.498 0.00 0.00 0.176 C +ATOM 1024 C LYS 107 -21.741 12.213 67.856 0.00 0.00 0.241 C +ATOM 1025 O LYS 107 -21.385 12.064 66.694 0.00 0.00 -0.271 OA +ATOM 1026 CB LYS 107 -21.941 9.862 68.629 0.00 0.00 0.035 C +ATOM 1027 CG LYS 107 -20.771 9.974 69.607 0.00 0.00 0.004 C +ATOM 1028 CD LYS 107 -19.937 8.691 69.615 0.00 0.00 0.027 C +ATOM 1029 CE LYS 107 -18.729 8.828 70.543 0.00 0.00 0.229 C +ATOM 1030 NZ LYS 107 -17.878 7.629 70.462 0.00 0.00 -0.079 N +ATOM 1031 HZ1 LYS 107 -17.072 7.720 71.081 1.00 0.00 0.274 HD +ATOM 1032 HZ2 LYS 107 -17.598 7.427 69.502 1.00 0.00 0.274 HD +ATOM 1033 HZ3 LYS 107 -18.405 6.776 70.649 1.00 0.00 0.274 HD +ATOM 1034 N ILE 108 -21.415 13.283 68.564 0.00 0.00 -0.346 N +ATOM 1035 HN ILE 108 -21.803 13.415 69.498 1.00 0.00 0.163 HD +ATOM 1036 CA ILE 108 -20.503 14.269 68.007 0.00 0.00 0.180 C +ATOM 1037 C ILE 108 -19.263 14.490 68.892 0.00 0.00 0.241 C +ATOM 1038 O ILE 108 -19.168 14.014 70.020 0.00 0.00 -0.271 OA +ATOM 1039 CB ILE 108 -21.170 15.632 67.747 0.00 0.00 0.013 C +ATOM 1040 CG1 ILE 108 -21.575 16.304 69.061 0.00 0.00 0.002 C +ATOM 1041 CG2 ILE 108 -22.354 15.490 66.788 0.00 0.00 0.012 C +ATOM 1042 CD1 ILE 108 -21.693 17.820 68.889 0.00 0.00 0.005 C +ATOM 1043 N ARG 109 -18.328 15.242 68.350 0.00 0.00 -0.346 N +ATOM 1044 HN ARG 109 -18.472 15.591 67.402 1.00 0.00 0.163 HD +ATOM 1045 CA ARG 109 -17.108 15.595 69.036 0.00 0.00 0.176 C +ATOM 1046 C ARG 109 -17.050 17.092 68.786 0.00 0.00 0.241 C +ATOM 1047 O ARG 109 -17.470 17.544 67.718 0.00 0.00 -0.271 OA +ATOM 1048 CB ARG 109 -15.928 14.894 68.337 0.00 0.00 0.036 C +ATOM 1049 CG ARG 109 -14.590 15.428 68.852 0.00 0.00 0.023 C +ATOM 1050 CD ARG 109 -13.449 15.058 67.902 0.00 0.00 0.138 C +ATOM 1051 NE ARG 109 -13.306 13.587 67.833 0.00 0.00 -0.227 N +ATOM 1052 HE ARG 109 -13.808 13.025 68.521 1.00 0.00 0.177 HD +ATOM 1053 CZ ARG 109 -12.553 12.942 66.917 0.00 0.00 0.665 C +ATOM 1054 NH1 ARG 109 -11.884 13.660 66.004 0.00 0.00 -0.235 N +ATOM 1055 1HH1 ARG 109 -11.943 14.678 66.002 1.00 0.00 0.174 HD +ATOM 1056 2HH1 ARG 109 -11.315 13.173 65.312 1.00 0.00 0.174 HD +ATOM 1057 NH2 ARG 109 -12.475 11.604 66.920 0.00 0.00 -0.235 N +ATOM 1058 1HH2 ARG 109 -12.984 11.058 67.615 1.00 0.00 0.174 HD +ATOM 1059 2HH2 ARG 109 -11.906 11.117 66.228 1.00 0.00 0.174 HD +ATOM 1060 N ALA 110 -16.618 17.866 69.779 0.00 0.00 -0.346 N +ATOM 1061 HN ALA 110 -16.366 17.443 70.672 1.00 0.00 0.163 HD +ATOM 1062 CA ALA 110 -16.499 19.312 69.609 0.00 0.00 0.172 C +ATOM 1063 C ALA 110 -15.543 19.946 70.631 0.00 0.00 0.240 C +ATOM 1064 O ALA 110 -14.977 19.257 71.477 0.00 0.00 -0.271 OA +ATOM 1065 CB ALA 110 -17.887 19.973 69.697 0.00 0.00 0.042 C +ATOM 1066 N LEU 111 -15.323 21.249 70.509 0.00 0.00 -0.346 N +ATOM 1067 HN LEU 111 -15.753 21.753 69.734 1.00 0.00 0.163 HD +ATOM 1068 CA LEU 111 -14.483 21.983 71.452 0.00 0.00 0.177 C +ATOM 1069 C LEU 111 -15.455 22.842 72.253 0.00 0.00 0.241 C +ATOM 1070 O LEU 111 -16.381 23.408 71.673 0.00 0.00 -0.271 OA +ATOM 1071 CB LEU 111 -13.497 22.905 70.710 0.00 0.00 0.038 C +ATOM 1072 CG LEU 111 -12.668 22.249 69.604 0.00 0.00 -0.020 C +ATOM 1073 CD1 LEU 111 -11.675 23.244 69.001 0.00 0.00 0.009 C +ATOM 1074 CD2 LEU 111 -11.975 20.985 70.115 0.00 0.00 0.009 C +ATOM 1075 N ASP 112 -15.276 22.933 73.570 0.00 0.00 -0.346 N +ATOM 1076 HN ASP 112 -14.507 22.434 74.017 1.00 0.00 0.163 HD +ATOM 1077 CA ASP 112 -16.183 23.748 74.372 0.00 0.00 0.186 C +ATOM 1078 C ASP 112 -15.778 25.219 74.360 0.00 0.00 0.241 C +ATOM 1079 O ASP 112 -14.918 25.625 73.580 0.00 0.00 -0.271 OA +ATOM 1080 CB ASP 112 -16.357 23.195 75.799 0.00 0.00 0.147 C +ATOM 1081 CG ASP 112 -15.073 23.124 76.626 0.00 0.00 0.175 C +ATOM 1082 OD1 ASP 112 -14.187 23.984 76.506 0.00 0.00 -0.648 OA +ATOM 1083 OD2 ASP 112 -14.998 22.120 77.432 0.00 0.00 -0.648 OA +ATOM 1084 N ARG 113 -16.382 26.011 75.235 0.00 0.00 -0.346 N +ATOM 1085 HN ARG 113 -17.061 25.612 75.883 1.00 0.00 0.163 HD +ATOM 1086 CA ARG 113 -16.098 27.439 75.292 0.00 0.00 0.176 C +ATOM 1087 C ARG 113 -14.640 27.746 75.608 0.00 0.00 0.241 C +ATOM 1088 O ARG 113 -14.133 28.800 75.231 0.00 0.00 -0.271 OA +ATOM 1089 CB ARG 113 -17.015 28.132 76.317 0.00 0.00 0.036 C +ATOM 1090 CG ARG 113 -16.929 29.654 76.187 0.00 0.00 0.023 C +ATOM 1091 CD ARG 113 -17.954 30.340 77.094 0.00 0.00 0.138 C +ATOM 1092 NE ARG 113 -18.026 31.783 76.775 0.00 0.00 -0.227 N +ATOM 1093 HE ARG 113 -18.763 32.097 76.143 1.00 0.00 0.177 HD +ATOM 1094 CZ ARG 113 -17.178 32.711 77.268 0.00 0.00 0.665 C +ATOM 1095 NH1 ARG 113 -16.202 32.323 78.100 0.00 0.00 -0.235 N +ATOM 1096 1HH1 ARG 113 -15.561 33.024 78.472 1.00 0.00 0.174 HD +ATOM 1097 2HH1 ARG 113 -16.102 31.341 78.357 1.00 0.00 0.174 HD +ATOM 1098 NH2 ARG 113 -17.310 34.001 76.930 0.00 0.00 -0.235 N +ATOM 1099 1HH2 ARG 113 -16.669 34.702 77.302 1.00 0.00 0.174 HD +ATOM 1100 2HH2 ARG 113 -18.053 34.296 76.297 1.00 0.00 0.174 HD +ATOM 1101 N ASP 114 -13.979 26.831 76.308 0.00 0.00 -0.346 N +ATOM 1102 HN ASP 114 -14.465 25.981 76.594 1.00 0.00 0.163 HD +ATOM 1103 CA ASP 114 -12.579 27.004 76.680 0.00 0.00 0.186 C +ATOM 1104 C ASP 114 -11.655 26.310 75.684 0.00 0.00 0.241 C +ATOM 1105 O ASP 114 -10.478 26.109 75.968 0.00 0.00 -0.271 OA +ATOM 1106 CB ASP 114 -12.320 26.408 78.076 0.00 0.00 0.147 C +ATOM 1107 CG ASP 114 -13.236 26.933 79.183 0.00 0.00 0.175 C +ATOM 1108 OD1 ASP 114 -13.608 28.116 79.197 0.00 0.00 -0.648 OA +ATOM 1109 OD2 ASP 114 -13.575 26.061 80.071 0.00 0.00 -0.648 OA +ATOM 1110 N GLY 115 -12.197 25.906 74.539 0.00 0.00 -0.351 N +ATOM 1111 HN GLY 115 -13.185 26.081 74.357 1.00 0.00 0.163 HD +ATOM 1112 CA GLY 115 -11.394 25.219 73.548 0.00 0.00 0.225 C +ATOM 1113 C GLY 115 -11.142 23.756 73.863 0.00 0.00 0.236 C +ATOM 1114 O GLY 115 -10.520 23.055 73.069 0.00 0.00 -0.272 OA +ATOM 1115 N LYS 116 -11.625 23.278 75.003 0.00 0.00 -0.346 N +ATOM 1116 HN LYS 116 -12.141 23.895 75.631 1.00 0.00 0.163 HD +ATOM 1117 CA LYS 116 -11.425 21.878 75.368 0.00 0.00 0.177 C +ATOM 1118 C LYS 116 -12.361 20.929 74.606 0.00 0.00 0.247 C +ATOM 1119 O LYS 116 -13.577 21.125 74.577 0.00 0.00 -0.271 OA +ATOM 1120 CB LYS 116 -11.632 21.661 76.879 0.00 0.00 0.035 C +ATOM 1121 CG LYS 116 -10.883 22.718 77.692 0.00 0.00 0.004 C +ATOM 1122 CD LYS 116 -10.789 22.313 79.164 0.00 0.00 0.027 C +ATOM 1123 CE LYS 116 -10.089 23.396 79.988 0.00 0.00 0.229 C +ATOM 1124 NZ LYS 116 -10.963 24.570 80.145 0.00 0.00 -0.079 N +ATOM 1125 HZ1 LYS 116 -10.496 25.292 80.694 1.00 0.00 0.274 HD +ATOM 1126 HZ2 LYS 116 -11.869 24.318 80.541 1.00 0.00 0.274 HD +ATOM 1127 HZ3 LYS 116 -11.284 24.927 79.245 1.00 0.00 0.274 HD +ATOM 1128 N PRO 117 -11.795 19.918 73.938 0.00 0.00 -0.315 N +ATOM 1129 CA PRO 117 -12.572 18.934 73.179 0.00 0.00 0.082 C +ATOM 1130 C PRO 117 -13.430 18.055 74.091 0.00 0.00 0.265 C +ATOM 1131 O PRO 117 -13.031 17.735 75.214 0.00 0.00 -0.266 OA +ATOM 1132 CB PRO 117 -11.761 18.504 72.053 0.00 0.00 0.065 C +ATOM 1133 CG PRO 117 -10.332 18.861 72.430 0.00 0.00 0.026 C +ATOM 1134 CD PRO 117 -10.386 19.820 73.608 0.00 0.00 0.132 C +ATOM 1135 N PHE 118 -14.595 17.652 73.591 0.00 0.00 -0.342 N +ATOM 1136 HN PHE 118 -14.858 17.964 72.656 1.00 0.00 0.163 HD +ATOM 1137 CA PHE 118 -15.512 16.785 74.320 0.00 0.00 0.181 C +ATOM 1138 C PHE 118 -16.402 16.051 73.323 0.00 0.00 0.241 C +ATOM 1139 O PHE 118 -16.611 16.525 72.207 0.00 0.00 -0.271 OA +ATOM 1140 CB PHE 118 -16.368 17.583 75.321 0.00 0.00 0.073 C +ATOM 1141 CG PHE 118 -17.419 18.482 74.682 0.00 0.00 -0.056 A +ATOM 1142 CD1 PHE 118 -18.758 18.043 74.564 0.00 0.00 0.007 A +ATOM 1143 CD2 PHE 118 -17.057 19.760 74.197 0.00 0.00 0.007 A +ATOM 1144 CE1 PHE 118 -19.728 18.877 73.968 0.00 0.00 0.001 A +ATOM 1145 CE2 PHE 118 -18.028 20.593 73.601 0.00 0.00 0.001 A +ATOM 1146 CZ PHE 118 -19.363 20.152 73.487 0.00 0.00 0.000 A +ATOM 1147 N GLU 119 -16.842 14.858 73.705 0.00 0.00 -0.346 N +ATOM 1148 HN GLU 119 -16.542 14.495 74.610 1.00 0.00 0.163 HD +ATOM 1149 CA GLU 119 -17.732 14.045 72.892 0.00 0.00 0.177 C +ATOM 1150 C GLU 119 -19.113 14.048 73.556 0.00 0.00 0.241 C +ATOM 1151 O GLU 119 -19.223 14.057 74.791 0.00 0.00 -0.271 OA +ATOM 1152 CB GLU 119 -17.215 12.601 72.755 0.00 0.00 0.045 C +ATOM 1153 CG GLU 119 -16.004 12.538 71.822 0.00 0.00 0.116 C +ATOM 1154 CD GLU 119 -15.640 11.089 71.492 0.00 0.00 0.172 C +ATOM 1155 OE1 GLU 119 -16.039 10.169 72.220 0.00 0.00 -0.648 OA +ATOM 1156 OE2 GLU 119 -14.917 10.936 70.434 0.00 0.00 -0.648 OA +ATOM 1157 N LEU 120 -20.154 13.974 72.732 0.00 0.00 -0.346 N +ATOM 1158 HN LEU 120 -19.979 13.891 71.731 1.00 0.00 0.163 HD +ATOM 1159 CA LEU 120 -21.543 14.006 73.201 0.00 0.00 0.177 C +ATOM 1160 C LEU 120 -22.477 13.071 72.423 0.00 0.00 0.241 C +ATOM 1161 O LEU 120 -22.394 12.990 71.199 0.00 0.00 -0.271 OA +ATOM 1162 CB LEU 120 -22.068 15.449 73.081 0.00 0.00 0.038 C +ATOM 1163 CG LEU 120 -23.515 15.675 73.523 0.00 0.00 -0.020 C +ATOM 1164 CD1 LEU 120 -23.730 15.200 74.961 0.00 0.00 0.009 C +ATOM 1165 CD2 LEU 120 -23.924 17.137 73.335 0.00 0.00 0.009 C +ATOM 1166 N GLU 121 -23.333 12.348 73.149 0.00 0.00 -0.346 N +ATOM 1167 HN GLU 121 -23.298 12.422 74.166 1.00 0.00 0.163 HD +ATOM 1168 CA GLU 121 -24.320 11.452 72.542 0.00 0.00 0.177 C +ATOM 1169 C GLU 121 -25.658 12.120 72.796 0.00 0.00 0.241 C +ATOM 1170 O GLU 121 -25.976 12.472 73.926 0.00 0.00 -0.271 OA +ATOM 1171 CB GLU 121 -24.262 10.036 73.144 0.00 0.00 0.045 C +ATOM 1172 CG GLU 121 -22.994 9.303 72.701 0.00 0.00 0.116 C +ATOM 1173 CD GLU 121 -23.112 7.799 72.956 0.00 0.00 0.172 C +ATOM 1174 OE1 GLU 121 -23.526 7.049 72.059 0.00 0.00 -0.648 OA +ATOM 1175 OE2 GLU 121 -22.755 7.416 74.134 0.00 0.00 -0.648 OA +ATOM 1176 N ALA 122 -26.378 12.433 71.732 0.00 0.00 -0.346 N +ATOM 1177 HN ALA 122 -26.037 12.192 70.801 1.00 0.00 0.163 HD +ATOM 1178 CA ALA 122 -27.647 13.116 71.879 0.00 0.00 0.172 C +ATOM 1179 C ALA 122 -28.780 12.280 71.309 0.00 0.00 0.240 C +ATOM 1180 O ALA 122 -28.570 11.456 70.417 0.00 0.00 -0.271 OA +ATOM 1181 CB ALA 122 -27.585 14.506 71.219 0.00 0.00 0.042 C +ATOM 1182 N ASP 123 -29.967 12.483 71.875 0.00 0.00 -0.346 N +ATOM 1183 HN ASP 123 -30.026 13.178 72.620 1.00 0.00 0.163 HD +ATOM 1184 CA ASP 123 -31.197 11.776 71.501 0.00 0.00 0.186 C +ATOM 1185 C ASP 123 -32.301 12.821 71.639 0.00 0.00 0.241 C +ATOM 1186 O ASP 123 -32.051 13.908 72.168 0.00 0.00 -0.271 OA +ATOM 1187 CB ASP 123 -31.431 10.644 72.518 0.00 0.00 0.147 C +ATOM 1188 CG ASP 123 -32.594 9.706 72.186 0.00 0.00 0.175 C +ATOM 1189 OD1 ASP 123 -33.265 9.861 71.154 0.00 0.00 -0.648 OA +ATOM 1190 OD2 ASP 123 -32.804 8.771 73.049 0.00 0.00 -0.648 OA +ATOM 1191 N GLY 124 -33.501 12.519 71.147 0.00 0.00 -0.351 N +ATOM 1192 HN GLY 124 -33.643 11.629 70.670 1.00 0.00 0.163 HD +ATOM 1193 CA GLY 124 -34.611 13.448 71.285 0.00 0.00 0.225 C +ATOM 1194 C GLY 124 -34.424 14.818 70.656 0.00 0.00 0.236 C +ATOM 1195 O GLY 124 -33.866 14.942 69.548 0.00 0.00 -0.272 OA +ATOM 1196 N LEU 125 -34.826 15.851 71.393 0.00 0.00 -0.346 N +ATOM 1197 HN LEU 125 -35.200 15.678 72.326 1.00 0.00 0.163 HD +ATOM 1198 CA LEU 125 -34.748 17.215 70.908 0.00 0.00 0.177 C +ATOM 1199 C LEU 125 -33.324 17.756 70.728 0.00 0.00 0.241 C +ATOM 1200 O LEU 125 -33.099 18.614 69.854 0.00 0.00 -0.271 OA +ATOM 1201 CB LEU 125 -35.550 18.156 71.826 0.00 0.00 0.038 C +ATOM 1202 CG LEU 125 -35.600 19.625 71.402 0.00 0.00 -0.020 C +ATOM 1203 CD1 LEU 125 -36.275 19.780 70.037 0.00 0.00 0.009 C +ATOM 1204 CD2 LEU 125 -36.273 20.483 72.475 0.00 0.00 0.009 C +ATOM 1205 N LEU 126 -32.398 17.329 71.597 0.00 0.00 -0.346 N +ATOM 1206 HN LEU 126 -32.676 16.685 72.338 1.00 0.00 0.163 HD +ATOM 1207 CA LEU 126 -30.988 17.761 71.517 0.00 0.00 0.177 C +ATOM 1208 C LEU 126 -30.426 17.290 70.179 0.00 0.00 0.241 C +ATOM 1209 O LEU 126 -29.912 18.096 69.433 0.00 0.00 -0.271 OA +ATOM 1210 CB LEU 126 -30.143 17.210 72.681 0.00 0.00 0.038 C +ATOM 1211 CG LEU 126 -28.683 17.665 72.724 0.00 0.00 -0.020 C +ATOM 1212 CD1 LEU 126 -28.586 19.176 72.944 0.00 0.00 0.009 C +ATOM 1213 CD2 LEU 126 -27.895 16.881 73.775 0.00 0.00 0.009 C +ATOM 1214 N ALA 127 -30.633 16.014 69.847 0.00 0.00 -0.346 N +ATOM 1215 HN ALA 127 -31.140 15.423 70.506 1.00 0.00 0.163 HD +ATOM 1216 CA ALA 127 -30.174 15.410 68.588 0.00 0.00 0.172 C +ATOM 1217 C ALA 127 -30.642 16.123 67.319 0.00 0.00 0.240 C +ATOM 1218 O ALA 127 -29.888 16.241 66.334 0.00 0.00 -0.271 OA +ATOM 1219 CB ALA 127 -30.595 13.930 68.538 0.00 0.00 0.042 C +ATOM 1220 N ILE 128 -31.900 16.564 67.348 0.00 0.00 -0.346 N +ATOM 1221 HN ILE 128 -32.445 16.387 68.192 1.00 0.00 0.163 HD +ATOM 1222 CA ILE 128 -32.553 17.283 66.256 0.00 0.00 0.180 C +ATOM 1223 C ILE 128 -32.022 18.718 66.174 0.00 0.00 0.241 C +ATOM 1224 O ILE 128 -31.841 19.282 65.088 0.00 0.00 -0.271 OA +ATOM 1225 CB ILE 128 -34.073 17.293 66.502 0.00 0.00 0.013 C +ATOM 1226 CG1 ILE 128 -34.693 15.938 66.155 0.00 0.00 0.002 C +ATOM 1227 CG2 ILE 128 -34.744 18.441 65.745 0.00 0.00 0.012 C +ATOM 1228 CD1 ILE 128 -36.107 15.819 66.728 0.00 0.00 0.005 C +ATOM 1229 N CYS 129 -31.828 19.321 67.338 0.00 0.00 -0.345 N +ATOM 1230 HN CYS 129 -32.042 18.811 68.195 1.00 0.00 0.163 HD +ATOM 1231 CA CYS 129 -31.320 20.687 67.442 0.00 0.00 0.185 C +ATOM 1232 C CYS 129 -29.870 20.785 66.908 0.00 0.00 0.241 C +ATOM 1233 O CYS 129 -29.570 21.636 66.064 0.00 0.00 -0.271 OA +ATOM 1234 CB CYS 129 -31.396 21.141 68.912 0.00 0.00 0.105 C +ATOM 1235 SG CYS 129 -30.697 22.786 69.238 0.00 0.00 -0.180 SA +ATOM 1236 HSG CYS 129 -30.784 23.012 70.217 0.00 0.00 0.101 HD +ATOM 1237 N ILE 130 -29.007 19.876 67.369 0.00 0.00 -0.346 N +ATOM 1238 HN ILE 130 -29.333 19.202 68.062 1.00 0.00 0.163 HD +ATOM 1239 CA ILE 130 -27.614 19.805 66.924 0.00 0.00 0.180 C +ATOM 1240 C ILE 130 -27.592 19.714 65.392 0.00 0.00 0.241 C +ATOM 1241 O ILE 130 -26.929 20.507 64.728 0.00 0.00 -0.271 OA +ATOM 1242 CB ILE 130 -26.913 18.562 67.502 0.00 0.00 0.013 C +ATOM 1243 CG1 ILE 130 -26.590 18.754 68.985 0.00 0.00 0.002 C +ATOM 1244 CG2 ILE 130 -25.669 18.205 66.686 0.00 0.00 0.012 C +ATOM 1245 CD1 ILE 130 -25.812 17.558 69.537 0.00 0.00 0.005 C +ATOM 1246 N GLN 131 -28.387 18.799 64.835 0.00 0.00 -0.346 N +ATOM 1247 HN GLN 131 -28.967 18.214 65.436 1.00 0.00 0.163 HD +ATOM 1248 CA GLN 131 -28.449 18.612 63.391 0.00 0.00 0.177 C +ATOM 1249 C GLN 131 -28.892 19.844 62.661 0.00 0.00 0.241 C +ATOM 1250 O GLN 131 -28.413 20.128 61.573 0.00 0.00 -0.271 OA +ATOM 1251 CB GLN 131 -29.396 17.457 63.016 0.00 0.00 0.044 C +ATOM 1252 CG GLN 131 -28.801 16.107 63.421 0.00 0.00 0.105 C +ATOM 1253 CD GLN 131 -29.822 14.981 63.240 0.00 0.00 0.215 C +ATOM 1254 OE1 GLN 131 -30.105 14.535 62.141 0.00 0.00 -0.274 OA +ATOM 1255 NE2 GLN 131 -30.357 14.550 64.379 0.00 0.00 -0.370 N +ATOM 1256 1HE2 GLN 131 -30.120 14.923 65.298 1.00 0.00 0.159 HD +ATOM 1257 2HE2 GLN 131 -31.037 13.800 64.258 1.00 0.00 0.159 HD +ATOM 1258 N HIZ 132 -29.793 20.599 63.266 0.00 0.00 -0.346 N +ATOM 1259 HN HIZ 132 -30.121 20.339 64.196 1.00 0.00 0.163 HD +ATOM 1260 CA HIZ 132 -30.323 21.790 62.631 0.00 0.00 0.182 C +ATOM 1261 C HIZ 132 -29.308 22.952 62.674 0.00 0.00 0.241 C +ATOM 1262 O HIZ 132 -29.212 23.745 61.730 0.00 0.00 -0.271 OA +ATOM 1263 CB HIZ 132 -31.675 22.091 63.304 0.00 0.00 0.093 C +ATOM 1264 CG HIZ 132 -32.164 23.504 63.095 0.00 0.00 0.028 A +ATOM 1265 ND1 HIZ 132 -33.326 23.801 62.403 0.00 0.00 -0.354 N +ATOM 1266 HD1 HIZ 132 -33.956 23.122 61.975 1.00 0.00 0.166 HD +ATOM 1267 CD2 HIZ 132 -31.638 24.698 63.494 0.00 0.00 0.114 A +ATOM 1268 CE1 HIZ 132 -33.481 25.117 62.392 0.00 0.00 0.180 A +ATOM 1269 NE2 HIZ 132 -32.434 25.671 63.068 0.00 0.00 -0.360 N +ATOM 1270 HE2 HIZ 132 -32.287 26.669 63.221 1.00 0.00 0.166 HD +ATOM 1271 N GLU 133 -28.560 23.063 63.769 0.00 0.00 -0.346 N +ATOM 1272 HN GLU 133 -28.693 22.409 64.540 1.00 0.00 0.163 HD +ATOM 1273 CA GLU 133 -27.546 24.117 63.877 0.00 0.00 0.177 C +ATOM 1274 C GLU 133 -26.351 23.807 62.936 0.00 0.00 0.241 C +ATOM 1275 O GLU 133 -25.948 24.668 62.153 0.00 0.00 -0.271 OA +ATOM 1276 CB GLU 133 -27.042 24.272 65.324 0.00 0.00 0.045 C +ATOM 1277 CG GLU 133 -28.208 24.497 66.289 0.00 0.00 0.116 C +ATOM 1278 CD GLU 133 -29.074 25.674 65.838 0.00 0.00 0.172 C +ATOM 1279 OE1 GLU 133 -28.760 26.325 64.830 0.00 0.00 -0.648 OA +ATOM 1280 OE2 GLU 133 -30.108 25.905 66.574 0.00 0.00 -0.648 OA +ATOM 1281 N MET 134 -25.840 22.573 62.998 0.00 0.00 -0.346 N +ATOM 1282 HN MET 134 -26.232 21.916 63.673 1.00 0.00 0.163 HD +ATOM 1283 CA MET 134 -24.738 22.121 62.136 0.00 0.00 0.177 C +ATOM 1284 C MET 134 -25.081 22.366 60.669 0.00 0.00 0.241 C +ATOM 1285 O MET 134 -24.222 22.810 59.890 0.00 0.00 -0.271 OA +ATOM 1286 CB MET 134 -24.405 20.639 62.387 0.00 0.00 0.045 C +ATOM 1287 CG MET 134 -23.651 20.462 63.706 0.00 0.00 0.076 C +ATOM 1288 SD MET 134 -23.003 18.769 63.831 0.00 0.00 -0.173 SA +ATOM 1289 CE MET 134 -21.860 18.763 62.418 0.00 0.00 0.089 C +ATOM 1290 N ASP 135 -26.353 22.163 60.302 0.00 0.00 -0.346 N +ATOM 1291 HN ASP 135 -27.028 21.832 60.991 1.00 0.00 0.163 HD +ATOM 1292 CA ASP 135 -26.788 22.409 58.925 0.00 0.00 0.186 C +ATOM 1293 C ASP 135 -26.551 23.868 58.576 0.00 0.00 0.241 C +ATOM 1294 O ASP 135 -26.255 24.223 57.440 0.00 0.00 -0.271 OA +ATOM 1295 CB ASP 135 -28.289 22.118 58.744 0.00 0.00 0.147 C +ATOM 1296 CG ASP 135 -28.626 20.680 58.346 0.00 0.00 0.175 C +ATOM 1297 OD1 ASP 135 -27.748 19.805 58.311 0.00 0.00 -0.648 OA +ATOM 1298 OD2 ASP 135 -29.866 20.469 58.060 0.00 0.00 -0.648 OA +ATOM 1299 N HIZ 136 -26.726 24.725 59.559 0.00 0.00 -0.346 N +ATOM 1300 HN HIZ 136 -26.996 24.384 60.482 1.00 0.00 0.163 HD +ATOM 1301 CA HIZ 136 -26.541 26.139 59.349 0.00 0.00 0.182 C +ATOM 1302 C HIZ 136 -25.130 26.513 58.934 0.00 0.00 0.241 C +ATOM 1303 O HIZ 136 -24.947 27.291 57.995 0.00 0.00 -0.271 OA +ATOM 1304 CB HIZ 136 -26.961 26.917 60.610 0.00 0.00 0.093 C +ATOM 1305 CG HIZ 136 -28.357 27.488 60.542 0.00 0.00 0.028 A +ATOM 1306 ND1 HIZ 136 -28.767 28.350 59.540 0.00 0.00 -0.354 N +ATOM 1307 HD1 HIZ 136 -28.192 28.681 58.766 1.00 0.00 0.166 HD +ATOM 1308 CD2 HIZ 136 -29.433 27.311 61.362 0.00 0.00 0.114 A +ATOM 1309 CE1 HIZ 136 -30.034 28.672 59.757 0.00 0.00 0.180 A +ATOM 1310 NE2 HIZ 136 -30.445 28.027 60.887 0.00 0.00 -0.360 N +ATOM 1311 HE2 HIZ 136 -31.376 28.085 61.299 1.00 0.00 0.166 HD +ATOM 1312 N LEU 137 -24.144 25.922 59.603 0.00 0.00 -0.346 N +ATOM 1313 HN LEU 137 -24.381 25.250 60.333 1.00 0.00 0.163 HD +ATOM 1314 CA LEU 137 -22.729 26.198 59.333 0.00 0.00 0.177 C +ATOM 1315 C LEU 137 -22.310 25.822 57.916 0.00 0.00 0.241 C +ATOM 1316 O LEU 137 -21.278 26.253 57.436 0.00 0.00 -0.271 OA +ATOM 1317 CB LEU 137 -21.842 25.483 60.369 0.00 0.00 0.038 C +ATOM 1318 CG LEU 137 -22.058 25.887 61.829 0.00 0.00 -0.020 C +ATOM 1319 CD1 LEU 137 -21.296 24.956 62.774 0.00 0.00 0.009 C +ATOM 1320 CD2 LEU 137 -21.690 27.355 62.052 0.00 0.00 0.009 C +ATOM 1321 N VAL 138 -23.125 25.017 57.246 0.00 0.00 -0.346 N +ATOM 1322 HN VAL 138 -23.968 24.670 57.703 1.00 0.00 0.163 HD +ATOM 1323 CA VAL 138 -22.848 24.620 55.885 0.00 0.00 0.180 C +ATOM 1324 C VAL 138 -23.847 25.244 54.898 0.00 0.00 0.241 C +ATOM 1325 O VAL 138 -24.026 24.746 53.793 0.00 0.00 -0.271 OA +ATOM 1326 CB VAL 138 -22.748 23.091 55.731 0.00 0.00 0.009 C +ATOM 1327 CG1 VAL 138 -21.576 22.534 56.541 0.00 0.00 0.012 C +ATOM 1328 CG2 VAL 138 -24.061 22.413 56.128 0.00 0.00 0.012 C +ATOM 1329 N GLY 139 -24.452 26.363 55.293 0.00 0.00 -0.351 N +ATOM 1330 HN GLY 139 -24.242 26.741 56.217 1.00 0.00 0.163 HD +ATOM 1331 CA GLY 139 -25.407 27.063 54.441 0.00 0.00 0.225 C +ATOM 1332 C GLY 139 -26.700 26.327 54.098 0.00 0.00 0.236 C +ATOM 1333 O GLY 139 -27.301 26.594 53.057 0.00 0.00 -0.272 OA +ATOM 1334 N LYS 140 -27.131 25.421 54.978 0.00 0.00 -0.346 N +ATOM 1335 HN LYS 140 -26.594 25.274 55.833 1.00 0.00 0.163 HD +ATOM 1336 CA LYS 140 -28.341 24.633 54.764 0.00 0.00 0.176 C +ATOM 1337 C LYS 140 -29.430 25.007 55.768 0.00 0.00 0.241 C +ATOM 1338 O LYS 140 -29.159 25.266 56.943 0.00 0.00 -0.271 OA +ATOM 1339 CB LYS 140 -28.026 23.128 54.854 0.00 0.00 0.035 C +ATOM 1340 CG LYS 140 -29.222 22.290 54.400 0.00 0.00 0.004 C +ATOM 1341 CD LYS 140 -28.974 20.800 54.649 0.00 0.00 0.027 C +ATOM 1342 CE LYS 140 -27.912 20.254 53.693 0.00 0.00 0.229 C +ATOM 1343 NZ LYS 140 -27.890 18.783 53.733 0.00 0.00 -0.079 N +ATOM 1344 HZ1 LYS 140 -27.182 18.419 53.096 1.00 0.00 0.274 HD +ATOM 1345 HZ2 LYS 140 -28.810 18.385 53.545 1.00 0.00 0.274 HD +ATOM 1346 HZ3 LYS 140 -27.763 18.431 54.682 1.00 0.00 0.274 HD +ATOM 1347 N LEU 141 -30.666 25.049 55.274 0.00 0.00 -0.346 N +ATOM 1348 HN LEU 141 -30.807 24.812 54.292 1.00 0.00 0.163 HD +ATOM 1349 CA LEU 141 -31.828 25.420 56.076 0.00 0.00 0.177 C +ATOM 1350 C LEU 141 -32.853 24.277 56.030 0.00 0.00 0.241 C +ATOM 1351 O LEU 141 -32.900 23.545 55.039 0.00 0.00 -0.271 OA +ATOM 1352 CB LEU 141 -32.418 26.721 55.500 0.00 0.00 0.038 C +ATOM 1353 CG LEU 141 -31.449 27.898 55.373 0.00 0.00 -0.020 C +ATOM 1354 CD1 LEU 141 -32.082 29.046 54.584 0.00 0.00 0.009 C +ATOM 1355 CD2 LEU 141 -30.954 28.352 56.747 0.00 0.00 0.009 C +ATOM 1356 N PHE 142 -33.656 24.113 57.090 0.00 0.00 -0.346 N +ATOM 1357 HN PHE 142 -33.570 24.759 57.875 1.00 0.00 0.163 HD +ATOM 1358 CA PHE 142 -34.666 23.027 57.165 0.00 0.00 0.180 C +ATOM 1359 C PHE 142 -35.662 22.911 55.979 0.00 0.00 0.241 C +ATOM 1360 O PHE 142 -36.063 21.799 55.569 0.00 0.00 -0.271 OA +ATOM 1361 CB PHE 142 -35.395 23.039 58.521 0.00 0.00 0.073 C +ATOM 1362 CG PHE 142 -36.524 24.055 58.626 0.00 0.00 -0.056 A +ATOM 1363 CD1 PHE 142 -37.749 23.835 57.953 0.00 0.00 0.007 A +ATOM 1364 CD2 PHE 142 -36.351 25.230 59.394 0.00 0.00 0.007 A +ATOM 1365 CE1 PHE 142 -38.791 24.782 58.050 0.00 0.00 0.001 A +ATOM 1366 CE2 PHE 142 -37.394 26.176 59.490 0.00 0.00 0.001 A +ATOM 1367 CZ PHE 142 -38.614 25.952 58.818 0.00 0.00 0.000 A +ATOM 1368 N MET 143 -36.014 24.051 55.389 0.00 0.00 -0.346 N +ATOM 1369 HN MET 143 -35.638 24.934 55.733 1.00 0.00 0.163 HD +ATOM 1370 CA MET 143 -36.923 24.051 54.266 0.00 0.00 0.177 C +ATOM 1371 C MET 143 -36.339 23.390 53.015 0.00 0.00 0.241 C +ATOM 1372 O MET 143 -37.100 22.941 52.156 0.00 0.00 -0.271 OA +ATOM 1373 CB MET 143 -37.422 25.478 53.972 0.00 0.00 0.045 C +ATOM 1374 CG MET 143 -36.261 26.397 53.587 0.00 0.00 0.076 C +ATOM 1375 SD MET 143 -36.891 28.041 53.140 0.00 0.00 -0.173 SA +ATOM 1376 CE MET 143 -37.862 27.616 51.664 0.00 0.00 0.089 C +ATOM 1377 N ASP 144 -35.009 23.240 52.951 0.00 0.00 -0.346 N +ATOM 1378 HN ASP 144 -34.437 23.572 53.728 1.00 0.00 0.163 HD +ATOM 1379 CA ASP 144 -34.342 22.609 51.791 0.00 0.00 0.186 C +ATOM 1380 C ASP 144 -34.730 21.158 51.698 0.00 0.00 0.241 C +ATOM 1381 O ASP 144 -34.539 20.521 50.659 0.00 0.00 -0.271 OA +ATOM 1382 CB ASP 144 -32.807 22.652 51.903 0.00 0.00 0.147 C +ATOM 1383 CG ASP 144 -32.198 24.056 51.915 0.00 0.00 0.175 C +ATOM 1384 OD1 ASP 144 -32.771 25.005 51.359 0.00 0.00 -0.648 OA +ATOM 1385 OD2 ASP 144 -31.072 24.156 52.535 0.00 0.00 -0.648 OA +ATOM 1386 N TYR 145 -35.199 20.626 52.822 0.00 0.00 -0.346 N +ATOM 1387 HN TYR 145 -35.255 21.218 53.651 1.00 0.00 0.163 HD +ATOM 1388 CA TYR 145 -35.640 19.233 52.932 0.00 0.00 0.180 C +ATOM 1389 C TYR 145 -37.030 19.017 52.337 0.00 0.00 0.241 C +ATOM 1390 O TYR 145 -37.394 17.898 51.978 0.00 0.00 -0.271 OA +ATOM 1391 CB TYR 145 -35.676 18.809 54.412 0.00 0.00 0.073 C +ATOM 1392 CG TYR 145 -34.309 18.542 55.026 0.00 0.00 -0.056 A +ATOM 1393 CD1 TYR 145 -33.726 19.479 55.910 0.00 0.00 0.010 A +ATOM 1394 CD2 TYR 145 -33.611 17.354 54.708 0.00 0.00 0.010 A +ATOM 1395 CE1 TYR 145 -32.457 19.228 56.474 0.00 0.00 0.037 A +ATOM 1396 CE2 TYR 145 -32.342 17.103 55.272 0.00 0.00 0.037 A +ATOM 1397 CZ TYR 145 -31.764 18.039 56.156 0.00 0.00 0.065 A +ATOM 1398 OH TYR 145 -30.535 17.792 56.700 0.00 0.00 -0.361 OA +ATOM 1399 HOH TYR 145 -30.297 18.516 57.267 0.00 0.00 0.217 HD +ATOM 1400 N LEU 146 -37.789 20.103 52.250 0.00 0.00 -0.346 N +ATOM 1401 HN LEU 146 -37.390 20.995 52.541 1.00 0.00 0.163 HD +ATOM 1402 CA LEU 146 -39.165 20.088 51.760 0.00 0.00 0.177 C +ATOM 1403 C LEU 146 -39.327 20.064 50.226 0.00 0.00 0.241 C +ATOM 1404 O LEU 146 -38.355 20.255 49.471 0.00 0.00 -0.271 OA +ATOM 1405 CB LEU 146 -39.933 21.258 52.403 0.00 0.00 0.038 C +ATOM 1406 CG LEU 146 -39.693 21.477 53.898 0.00 0.00 -0.020 C +ATOM 1407 CD1 LEU 146 -40.519 22.655 54.419 0.00 0.00 0.009 C +ATOM 1408 CD2 LEU 146 -39.959 20.196 54.690 0.00 0.00 0.009 C +ATOM 1409 N SER 147 -40.548 19.763 49.775 0.00 0.00 -0.344 N +ATOM 1410 HN SER 147 -41.288 19.574 50.451 1.00 0.00 0.163 HD +ATOM 1411 CA SER 147 -40.863 19.695 48.349 0.00 0.00 0.200 C +ATOM 1412 C SER 147 -40.856 21.104 47.766 0.00 0.00 0.249 C +ATOM 1413 O SER 147 -40.978 22.087 48.508 0.00 0.00 -0.271 OA +ATOM 1414 CB SER 147 -42.255 19.070 48.140 0.00 0.00 0.199 C +ATOM 1415 OG SER 147 -43.302 20.007 48.380 0.00 0.00 -0.398 OA +ATOM 1416 HOG SER 147 -44.138 19.579 48.240 0.00 0.00 0.209 HD +ATOM 1417 N PRO 148 -40.762 21.220 46.426 0.00 0.00 -0.315 N +ATOM 1418 CA PRO 148 -40.745 22.519 45.737 0.00 0.00 0.082 C +ATOM 1419 C PRO 148 -41.975 23.350 46.082 0.00 0.00 0.265 C +ATOM 1420 O PRO 148 -41.870 24.544 46.357 0.00 0.00 -0.266 OA +ATOM 1421 CB PRO 148 -40.173 22.305 44.419 0.00 0.00 0.065 C +ATOM 1422 CG PRO 148 -40.314 20.815 44.153 0.00 0.00 0.026 C +ATOM 1423 CD PRO 148 -40.634 20.134 45.474 0.00 0.00 0.132 C +ATOM 1424 N LEU 149 -43.133 22.696 46.120 0.00 0.00 -0.343 N +ATOM 1425 HN LEU 149 -43.144 21.695 45.926 1.00 0.00 0.163 HD +ATOM 1426 CA LEU 149 -44.387 23.372 46.431 0.00 0.00 0.177 C +ATOM 1427 C LEU 149 -44.411 23.891 47.865 0.00 0.00 0.241 C +ATOM 1428 O LEU 149 -44.881 25.002 48.113 0.00 0.00 -0.271 OA +ATOM 1429 CB LEU 149 -45.589 22.440 46.188 0.00 0.00 0.038 C +ATOM 1430 CG LEU 149 -45.587 21.674 44.864 0.00 0.00 -0.020 C +ATOM 1431 CD1 LEU 149 -45.140 20.225 45.069 0.00 0.00 0.009 C +ATOM 1432 CD2 LEU 149 -46.952 21.761 44.178 0.00 0.00 0.009 C +ATOM 1433 N LYS 150 -43.918 23.095 48.814 0.00 0.00 -0.346 N +ATOM 1434 HN LYS 150 -43.544 22.178 48.571 1.00 0.00 0.163 HD +ATOM 1435 CA LYS 150 -43.917 23.544 50.201 0.00 0.00 0.176 C +ATOM 1436 C LYS 150 -42.913 24.654 50.389 0.00 0.00 0.241 C +ATOM 1437 O LYS 150 -43.158 25.614 51.118 0.00 0.00 -0.271 OA +ATOM 1438 CB LYS 150 -43.581 22.405 51.181 0.00 0.00 0.035 C +ATOM 1439 CG LYS 150 -44.091 22.722 52.587 0.00 0.00 0.004 C +ATOM 1440 CD LYS 150 -45.595 22.464 52.696 0.00 0.00 0.027 C +ATOM 1441 CE LYS 150 -45.924 21.002 52.385 0.00 0.00 0.229 C +ATOM 1442 NZ LYS 150 -47.380 20.786 52.406 0.00 0.00 -0.079 N +ATOM 1443 HZ1 LYS 150 -47.599 19.812 52.199 1.00 0.00 0.274 HD +ATOM 1444 HZ2 LYS 150 -47.868 21.426 51.779 1.00 0.00 0.274 HD +ATOM 1445 HZ3 LYS 150 -47.796 21.089 53.287 1.00 0.00 0.274 HD +ATOM 1446 N GLN 151 -41.755 24.490 49.759 0.00 0.00 -0.346 N +ATOM 1447 HN GLN 151 -41.600 23.640 49.216 1.00 0.00 0.163 HD +ATOM 1448 CA GLN 151 -40.706 25.489 49.824 0.00 0.00 0.177 C +ATOM 1449 C GLN 151 -41.294 26.750 49.262 0.00 0.00 0.241 C +ATOM 1450 O GLN 151 -41.068 27.825 49.795 0.00 0.00 -0.271 OA +ATOM 1451 CB GLN 151 -39.488 25.078 48.976 0.00 0.00 0.044 C +ATOM 1452 CG GLN 151 -38.764 23.883 49.599 0.00 0.00 0.105 C +ATOM 1453 CD GLN 151 -37.311 23.814 49.125 0.00 0.00 0.215 C +ATOM 1454 OE1 GLN 151 -36.587 24.796 49.113 0.00 0.00 -0.274 OA +ATOM 1455 NE2 GLN 151 -36.926 22.602 48.736 0.00 0.00 -0.370 N +ATOM 1456 1HE2 GLN 151 -37.531 21.781 48.746 1.00 0.00 0.159 HD +ATOM 1457 2HE2 GLN 151 -35.957 22.556 48.420 1.00 0.00 0.159 HD +ATOM 1458 N GLN 152 -42.084 26.606 48.203 0.00 0.00 -0.346 N +ATOM 1459 HN GLN 152 -42.241 25.675 47.817 1.00 0.00 0.163 HD +ATOM 1460 CA GLN 152 -42.731 27.758 47.583 0.00 0.00 0.177 C +ATOM 1461 C GLN 152 -43.705 28.465 48.538 0.00 0.00 0.241 C +ATOM 1462 O GLN 152 -43.699 29.700 48.651 0.00 0.00 -0.271 OA +ATOM 1463 CB GLN 152 -43.482 27.333 46.307 0.00 0.00 0.044 C +ATOM 1464 CG GLN 152 -44.199 28.525 45.670 0.00 0.00 0.105 C +ATOM 1465 CD GLN 152 -45.212 28.060 44.622 0.00 0.00 0.215 C +ATOM 1466 OE1 GLN 152 -45.427 26.877 44.412 0.00 0.00 -0.274 OA +ATOM 1467 NE2 GLN 152 -45.820 29.052 43.980 0.00 0.00 -0.370 N +ATOM 1468 1HE2 GLN 152 -45.640 30.041 44.155 1.00 0.00 0.159 HD +ATOM 1469 2HE2 GLN 152 -46.495 28.742 43.281 1.00 0.00 0.159 HD +ATOM 1470 N ARG 153 -44.541 27.679 49.215 0.00 0.00 -0.346 N +ATOM 1471 HN ARG 153 -44.504 26.671 49.063 1.00 0.00 0.163 HD +ATOM 1472 CA ARG 153 -45.511 28.215 50.170 0.00 0.00 0.176 C +ATOM 1473 C ARG 153 -44.812 28.885 51.365 0.00 0.00 0.241 C +ATOM 1474 O ARG 153 -45.277 29.916 51.859 0.00 0.00 -0.271 OA +ATOM 1475 CB ARG 153 -46.470 27.107 50.645 0.00 0.00 0.036 C +ATOM 1476 CG ARG 153 -47.167 26.440 49.457 0.00 0.00 0.023 C +ATOM 1477 CD ARG 153 -48.119 25.339 49.929 0.00 0.00 0.138 C +ATOM 1478 NE ARG 153 -48.780 24.709 48.765 0.00 0.00 -0.227 N +ATOM 1479 HE ARG 153 -48.543 25.055 47.835 1.00 0.00 0.177 HD +ATOM 1480 CZ ARG 153 -49.678 23.704 48.856 0.00 0.00 0.665 C +ATOM 1481 NH1 ARG 153 -50.005 23.233 50.067 0.00 0.00 -0.235 N +ATOM 1482 1HH1 ARG 153 -49.582 23.627 50.907 1.00 0.00 0.174 HD +ATOM 1483 2HH1 ARG 153 -50.683 22.474 50.136 1.00 0.00 0.174 HD +ATOM 1484 NH2 ARG 153 -50.233 23.186 47.752 0.00 0.00 -0.235 N +ATOM 1485 1HH2 ARG 153 -49.984 23.545 46.830 1.00 0.00 0.174 HD +ATOM 1486 2HH2 ARG 153 -50.911 22.427 47.821 1.00 0.00 0.174 HD +ATOM 1487 N ILE 154 -43.699 28.308 51.824 0.00 0.00 -0.346 N +ATOM 1488 HN ILE 154 -43.368 27.447 51.389 1.00 0.00 0.163 HD +ATOM 1489 CA ILE 154 -42.942 28.884 52.939 0.00 0.00 0.180 C +ATOM 1490 C ILE 154 -42.393 30.250 52.524 0.00 0.00 0.241 C +ATOM 1491 O ILE 154 -42.532 31.236 53.256 0.00 0.00 -0.271 OA +ATOM 1492 CB ILE 154 -41.753 27.997 53.354 0.00 0.00 0.013 C +ATOM 1493 CG1 ILE 154 -42.232 26.622 53.823 0.00 0.00 0.002 C +ATOM 1494 CG2 ILE 154 -40.890 28.694 54.407 0.00 0.00 0.012 C +ATOM 1495 CD1 ILE 154 -41.051 25.740 54.232 0.00 0.00 0.005 C +ATOM 1496 N ARG 155 -41.783 30.289 51.341 0.00 0.00 -0.346 N +ATOM 1497 HN ARG 155 -41.717 29.427 50.799 1.00 0.00 0.163 HD +ATOM 1498 CA ARG 155 -41.205 31.506 50.784 0.00 0.00 0.176 C +ATOM 1499 C ARG 155 -42.245 32.614 50.654 0.00 0.00 0.241 C +ATOM 1500 O ARG 155 -41.978 33.758 51.034 0.00 0.00 -0.271 OA +ATOM 1501 CB ARG 155 -40.575 31.235 49.405 0.00 0.00 0.036 C +ATOM 1502 CG ARG 155 -39.318 30.373 49.536 0.00 0.00 0.023 C +ATOM 1503 CD ARG 155 -38.663 30.148 48.172 0.00 0.00 0.138 C +ATOM 1504 NE ARG 155 -39.446 29.165 47.391 0.00 0.00 -0.227 N +ATOM 1505 HE ARG 155 -39.432 28.192 47.696 1.00 0.00 0.177 HD +ATOM 1506 CZ ARG 155 -40.178 29.476 46.300 0.00 0.00 0.665 C +ATOM 1507 NH1 ARG 155 -40.213 30.749 45.882 0.00 0.00 -0.235 N +ATOM 1508 1HH1 ARG 155 -40.766 30.984 45.058 1.00 0.00 0.174 HD +ATOM 1509 2HH1 ARG 155 -39.693 31.472 46.380 1.00 0.00 0.174 HD +ATOM 1510 NH2 ARG 155 -40.861 28.527 45.646 0.00 0.00 -0.235 N +ATOM 1511 1HH2 ARG 155 -41.414 28.762 44.822 1.00 0.00 0.174 HD +ATOM 1512 2HH2 ARG 155 -40.834 27.558 45.964 1.00 0.00 0.174 HD +ATOM 1513 N GLN 156 -43.422 32.271 50.124 0.00 0.00 -0.346 N +ATOM 1514 HN GLN 156 -43.567 31.301 49.843 1.00 0.00 0.163 HD +ATOM 1515 CA GLN 156 -44.519 33.234 49.928 0.00 0.00 0.177 C +ATOM 1516 C GLN 156 -45.189 33.721 51.220 0.00 0.00 0.241 C +ATOM 1517 O GLN 156 -45.706 34.841 51.269 0.00 0.00 -0.271 OA +ATOM 1518 CB GLN 156 -45.575 32.653 48.969 0.00 0.00 0.044 C +ATOM 1519 CG GLN 156 -44.966 32.359 47.596 0.00 0.00 0.105 C +ATOM 1520 CD GLN 156 -46.000 31.729 46.662 0.00 0.00 0.215 C +ATOM 1521 OE1 GLN 156 -47.116 31.420 47.046 0.00 0.00 -0.274 OA +ATOM 1522 NE2 GLN 156 -45.569 31.555 45.416 0.00 0.00 -0.370 N +ATOM 1523 1HE2 GLN 156 -44.636 31.813 45.095 1.00 0.00 0.159 HD +ATOM 1524 2HE2 GLN 156 -46.259 31.135 44.793 1.00 0.00 0.159 HD +ATOM 1525 N LYS 157 -45.192 32.871 52.250 0.00 0.00 -0.346 N +ATOM 1526 HN LYS 157 -44.774 31.949 52.124 1.00 0.00 0.163 HD +ATOM 1527 CA LYS 157 -45.769 33.205 53.551 0.00 0.00 0.176 C +ATOM 1528 C LYS 157 -44.822 34.094 54.338 0.00 0.00 0.241 C +ATOM 1529 O LYS 157 -45.253 34.976 55.083 0.00 0.00 -0.271 OA +ATOM 1530 CB LYS 157 -46.068 31.928 54.358 0.00 0.00 0.035 C +ATOM 1531 CG LYS 157 -47.271 31.182 53.778 0.00 0.00 0.004 C +ATOM 1532 CD LYS 157 -47.618 29.957 54.627 0.00 0.00 0.027 C +ATOM 1533 CE LYS 157 -48.849 29.237 54.073 0.00 0.00 0.229 C +ATOM 1534 NZ LYS 157 -50.024 30.123 54.110 0.00 0.00 -0.079 N +ATOM 1535 HZ1 LYS 157 -50.845 29.643 53.741 1.00 0.00 0.274 HD +ATOM 1536 HZ2 LYS 157 -49.850 31.004 53.626 1.00 0.00 0.274 HD +ATOM 1537 HZ3 LYS 157 -50.190 30.494 55.046 1.00 0.00 0.274 HD +ATOM 1538 N VAL 158 -43.527 33.823 54.209 0.00 0.00 -0.346 N +ATOM 1539 HN VAL 158 -43.235 33.039 53.626 1.00 0.00 0.163 HD +ATOM 1540 CA VAL 158 -42.520 34.625 54.884 0.00 0.00 0.180 C +ATOM 1541 C VAL 158 -42.588 36.016 54.256 0.00 0.00 0.241 C +ATOM 1542 O VAL 158 -42.689 37.017 54.958 0.00 0.00 -0.271 OA +ATOM 1543 CB VAL 158 -41.109 34.034 54.706 0.00 0.00 0.009 C +ATOM 1544 CG1 VAL 158 -40.049 34.955 55.314 0.00 0.00 0.012 C +ATOM 1545 CG2 VAL 158 -41.024 32.629 55.305 0.00 0.00 0.012 C +ATOM 1546 N GLU 159 -42.659 36.055 52.928 0.00 0.00 -0.346 N +ATOM 1547 HN GLU 159 -42.678 35.174 52.415 1.00 0.00 0.163 HD +ATOM 1548 CA GLU 159 -42.711 37.309 52.169 0.00 0.00 0.177 C +ATOM 1549 C GLU 159 -43.880 38.259 52.462 0.00 0.00 0.241 C +ATOM 1550 O GLU 159 -43.944 39.348 51.891 0.00 0.00 -0.271 OA +ATOM 1551 CB GLU 159 -42.627 37.021 50.658 0.00 0.00 0.045 C +ATOM 1552 CG GLU 159 -41.466 36.075 50.345 0.00 0.00 0.116 C +ATOM 1553 CD GLU 159 -41.382 35.789 48.844 0.00 0.00 0.172 C +ATOM 1554 OE1 GLU 159 -42.198 36.308 48.067 0.00 0.00 -0.648 OA +ATOM 1555 OE2 GLU 159 -40.427 34.998 48.492 0.00 0.00 -0.648 OA +ATOM 1556 N LYS 160 -44.805 37.854 53.327 0.00 0.00 -0.346 N +ATOM 1557 HN LYS 160 -44.720 36.931 53.753 1.00 0.00 0.163 HD +ATOM 1558 CA LYS 160 -45.940 38.702 53.680 0.00 0.00 0.176 C +ATOM 1559 C LYS 160 -45.612 39.467 54.957 0.00 0.00 0.241 C +ATOM 1560 O LYS 160 -46.185 40.517 55.229 0.00 0.00 -0.271 OA +ATOM 1561 CB LYS 160 -47.202 37.842 53.878 0.00 0.00 0.035 C +ATOM 1562 CG LYS 160 -47.544 37.068 52.604 0.00 0.00 0.004 C +ATOM 1563 CD LYS 160 -48.798 36.213 52.801 0.00 0.00 0.027 C +ATOM 1564 CE LYS 160 -49.139 35.439 51.526 0.00 0.00 0.229 C +ATOM 1565 NZ LYS 160 -50.346 34.621 51.728 0.00 0.00 -0.079 N +ATOM 1566 HZ1 LYS 160 -50.573 34.105 50.878 1.00 0.00 0.274 HD +ATOM 1567 HZ2 LYS 160 -51.134 35.181 52.054 1.00 0.00 0.274 HD +ATOM 1568 HZ3 LYS 160 -50.255 34.003 52.534 1.00 0.00 0.274 HD +ATOM 1569 N LEU 161 -44.649 38.946 55.709 0.00 0.00 -0.346 N +ATOM 1570 HN LEU 161 -44.188 38.093 55.393 1.00 0.00 0.163 HD +ATOM 1571 CA LEU 161 -44.226 39.544 56.964 0.00 0.00 0.177 C +ATOM 1572 C LEU 161 -42.926 40.355 56.801 0.00 0.00 0.241 C +ATOM 1573 O LEU 161 -42.765 41.053 55.797 0.00 0.00 -0.271 OA +ATOM 1574 CB LEU 161 -44.091 38.449 58.039 0.00 0.00 0.038 C +ATOM 1575 CG LEU 161 -45.332 37.586 58.277 0.00 0.00 -0.020 C +ATOM 1576 CD1 LEU 161 -45.072 36.540 59.363 0.00 0.00 0.009 C +ATOM 1577 CD2 LEU 161 -46.550 38.454 58.597 0.00 0.00 0.009 C +ATOM 1578 N ASP 162 -42.022 40.266 57.791 0.00 0.00 -0.346 N +ATOM 1579 HN ASP 162 -42.248 39.649 58.571 1.00 0.00 0.163 HD +ATOM 1580 CA ASP 162 -40.719 40.987 57.854 0.00 0.00 0.186 C +ATOM 1581 C ASP 162 -40.869 42.518 57.954 0.00 0.00 0.241 C +ATOM 1582 O ASP 162 -39.928 43.243 58.297 0.00 0.00 -0.271 OA +ATOM 1583 CB ASP 162 -39.754 40.586 56.723 0.00 0.00 0.147 C +ATOM 1584 CG ASP 162 -38.765 39.475 57.080 0.00 0.00 0.175 C +ATOM 1585 OD1 ASP 162 -38.611 39.110 58.255 0.00 0.00 -0.648 OA +ATOM 1586 OD2 ASP 162 -38.128 38.969 56.079 0.00 0.00 -0.648 OA +ATOM 1587 N ARG 163 -42.084 42.974 57.676 0.00 0.00 -0.346 N +ATOM 1588 HN ARG 163 -42.788 42.291 57.397 1.00 0.00 0.163 HD +ATOM 1589 CA ARG 163 -42.493 44.365 57.736 0.00 0.00 0.176 C +ATOM 1590 C ARG 163 -43.376 44.331 58.991 0.00 0.00 0.240 C +ATOM 1591 O ARG 163 -42.915 43.878 60.045 0.00 0.00 -0.271 OA +ATOM 1592 CB ARG 163 -43.311 44.688 56.472 0.00 0.00 0.036 C +ATOM 1593 CG ARG 163 -44.349 43.598 56.197 0.00 0.00 0.023 C +ATOM 1594 CD ARG 163 -45.027 43.815 54.843 0.00 0.00 0.138 C +ATOM 1595 NE ARG 163 -44.087 43.488 53.747 0.00 0.00 -0.227 N +ATOM 1596 HE ARG 163 -43.093 43.657 53.904 1.00 0.00 0.177 HD +ATOM 1597 CZ ARG 163 -44.462 42.981 52.554 0.00 0.00 0.665 C +ATOM 1598 NH1 ARG 163 -45.763 42.752 52.325 0.00 0.00 -0.235 N +ATOM 1599 1HH1 ARG 163 -46.046 42.369 51.423 1.00 0.00 0.174 HD +ATOM 1600 2HH1 ARG 163 -46.458 42.958 53.042 1.00 0.00 0.174 HD +ATOM 1601 NH2 ARG 163 -43.549 42.711 51.612 0.00 0.00 -0.235 N +ATOM 1602 1HH2 ARG 163 -43.832 42.328 50.710 1.00 0.00 0.174 HD +ATOM 1603 2HH2 ARG 163 -42.559 42.885 51.786 1.00 0.00 0.174 HD +ATOM 1604 N LEU 164 -44.640 44.734 58.874 0.00 0.00 -0.353 N +ATOM 1605 HN LEU 164 -44.982 45.073 57.975 1.00 0.00 0.163 HD +ATOM 1606 CA LEU 164 -45.537 44.694 60.018 0.00 0.00 0.108 C +ATOM 1607 C LEU 164 -45.581 45.946 60.874 0.00 0.00 0.192 C +ATOM 1608 O LEU 164 -46.054 45.862 62.029 0.00 0.00 -0.389 OA +ATOM 1609 CB LEU 164 -45.120 43.511 60.912 0.00 0.00 0.033 C +ATOM 1610 CG LEU 164 -45.953 43.302 62.179 0.00 0.00 0.007 C +ATOM 1611 CD1 LEU 164 -45.442 42.102 62.978 0.00 0.00 0.012 C +ATOM 1612 CD2 LEU 164 -45.997 44.577 63.023 0.00 0.00 0.172 C +ATOM 1613 ZN ZN4 490 -32.456 27.866 62.346 0.00 0.00 2.000 Zn +TER 1614 ZN4 490 diff --git a/unidock/example/paired_batch/def5.pdbqt b/unidock/example/paired_batch/def5.pdbqt new file mode 100644 index 0000000..b02f4af --- /dev/null +++ b/unidock/example/paired_batch/def5.pdbqt @@ -0,0 +1,1614 @@ +ATOM 1 N SER 1 -24.102 41.977 73.078 0.00 0.00 -0.064 N +ATOM 2 HN1 SER 1 -24.590 41.366 73.732 1.00 0.00 0.275 HD +ATOM 3 HN2 SER 1 -23.447 42.598 73.553 1.00 0.00 0.275 HD +ATOM 4 HN3 SER 1 -23.433 41.464 72.503 1.00 0.00 0.275 HD +ATOM 5 CA SER 1 -25.081 42.730 72.252 0.00 0.00 0.297 C +ATOM 6 C SER 1 -25.984 41.779 71.491 0.00 0.00 0.251 C +ATOM 7 O SER 1 -25.679 40.596 71.347 0.00 0.00 -0.271 OA +ATOM 8 CB SER 1 -24.344 43.653 71.264 0.00 0.00 0.206 C +ATOM 9 OG SER 1 -22.931 43.477 71.322 0.00 0.00 -0.398 OA +ATOM 10 HOG SER 1 -22.520 44.064 70.698 0.00 0.00 0.209 HD +ATOM 11 N VAL 2 -27.131 42.299 71.074 0.00 0.00 -0.346 N +ATOM 12 HN VAL 2 -27.343 43.271 71.298 1.00 0.00 0.163 HD +ATOM 13 CA VAL 2 -28.098 41.525 70.306 0.00 0.00 0.180 C +ATOM 14 C VAL 2 -27.695 41.709 68.848 0.00 0.00 0.241 C +ATOM 15 O VAL 2 -27.508 42.843 68.378 0.00 0.00 -0.271 OA +ATOM 16 CB VAL 2 -29.539 42.012 70.547 0.00 0.00 0.009 C +ATOM 17 CG1 VAL 2 -30.527 41.270 69.644 0.00 0.00 0.012 C +ATOM 18 CG2 VAL 2 -29.927 41.869 72.019 0.00 0.00 0.012 C +ATOM 19 N LEU 3 -27.504 40.592 68.159 0.00 0.00 -0.346 N +ATOM 20 HN LEU 3 -27.655 39.691 68.612 1.00 0.00 0.163 HD +ATOM 21 CA LEU 3 -27.085 40.631 66.776 0.00 0.00 0.177 C +ATOM 22 C LEU 3 -28.257 40.349 65.838 0.00 0.00 0.241 C +ATOM 23 O LEU 3 -29.180 39.623 66.204 0.00 0.00 -0.271 OA +ATOM 24 CB LEU 3 -25.938 39.624 66.571 0.00 0.00 0.038 C +ATOM 25 CG LEU 3 -24.811 39.672 67.605 0.00 0.00 -0.020 C +ATOM 26 CD1 LEU 3 -23.918 38.434 67.499 0.00 0.00 0.009 C +ATOM 27 CD2 LEU 3 -24.009 40.969 67.483 0.00 0.00 0.009 C +ATOM 28 N GLN 4 -28.208 40.926 64.635 0.00 0.00 -0.346 N +ATOM 29 HN GLN 4 -27.401 41.507 64.408 1.00 0.00 0.163 HD +ATOM 30 CA GLN 4 -29.258 40.765 63.625 0.00 0.00 0.177 C +ATOM 31 C GLN 4 -29.280 39.412 62.913 0.00 0.00 0.241 C +ATOM 32 O GLN 4 -28.348 39.041 62.201 0.00 0.00 -0.271 OA +ATOM 33 CB GLN 4 -29.162 41.881 62.568 0.00 0.00 0.044 C +ATOM 34 CG GLN 4 -30.197 41.677 61.460 0.00 0.00 0.105 C +ATOM 35 CD GLN 4 -29.815 42.462 60.203 0.00 0.00 0.215 C +ATOM 36 OE1 GLN 4 -29.135 43.474 60.254 0.00 0.00 -0.274 OA +ATOM 37 NE2 GLN 4 -30.289 41.940 59.075 0.00 0.00 -0.370 N +ATOM 38 1HE2 GLN 4 -30.857 41.094 59.032 1.00 0.00 0.159 HD +ATOM 39 2HE2 GLN 4 -30.034 42.463 58.237 1.00 0.00 0.159 HD +ATOM 40 N VAL 5 -30.392 38.710 63.065 0.00 0.00 -0.346 N +ATOM 41 HN VAL 5 -31.145 39.096 63.634 1.00 0.00 0.163 HD +ATOM 42 CA VAL 5 -30.574 37.408 62.447 0.00 0.00 0.180 C +ATOM 43 C VAL 5 -30.984 37.608 60.992 0.00 0.00 0.241 C +ATOM 44 O VAL 5 -31.885 38.399 60.691 0.00 0.00 -0.271 OA +ATOM 45 CB VAL 5 -31.635 36.605 63.223 0.00 0.00 0.009 C +ATOM 46 CG1 VAL 5 -31.823 35.214 62.614 0.00 0.00 0.012 C +ATOM 47 CG2 VAL 5 -31.274 36.511 64.707 0.00 0.00 0.012 C +ATOM 48 N LEU 6 -30.280 36.934 60.089 0.00 0.00 -0.346 N +ATOM 49 HN LEU 6 -29.521 36.330 60.406 1.00 0.00 0.163 HD +ATOM 50 CA LEU 6 -30.557 37.029 58.651 0.00 0.00 0.177 C +ATOM 51 C LEU 6 -31.753 36.153 58.304 0.00 0.00 0.241 C +ATOM 52 O LEU 6 -31.943 35.094 58.897 0.00 0.00 -0.271 OA +ATOM 53 CB LEU 6 -29.330 36.589 57.831 0.00 0.00 0.038 C +ATOM 54 CG LEU 6 -28.010 37.281 58.174 0.00 0.00 -0.020 C +ATOM 55 CD1 LEU 6 -26.825 36.543 57.549 0.00 0.00 0.009 C +ATOM 56 CD2 LEU 6 -28.043 38.757 57.771 0.00 0.00 0.009 C +ATOM 57 N HIS 7 -32.563 36.594 57.352 0.00 0.00 -0.346 N +ATOM 58 HN HIS 7 -32.360 37.480 56.889 1.00 0.00 0.163 HD +ATOM 59 CA HIS 7 -33.742 35.830 56.956 0.00 0.00 0.182 C +ATOM 60 C HIS 7 -33.720 35.554 55.461 0.00 0.00 0.241 C +ATOM 61 O HIS 7 -33.075 36.282 54.693 0.00 0.00 -0.271 OA +ATOM 62 CB HIS 7 -35.031 36.607 57.283 0.00 0.00 0.093 C +ATOM 63 CG HIS 7 -35.126 37.063 58.719 0.00 0.00 0.028 A +ATOM 64 ND1 HIS 7 -35.950 38.098 59.125 0.00 0.00 -0.354 N +ATOM 65 HD1 HIS 7 -36.561 38.646 58.520 1.00 0.00 0.166 HD +ATOM 66 CD2 HIS 7 -34.493 36.613 59.841 0.00 0.00 0.114 A +ATOM 67 CE1 HIS 7 -35.811 38.256 60.433 0.00 0.00 0.180 A +ATOM 68 NE2 HIS 7 -34.906 37.335 60.874 0.00 0.00 -0.360 N +ATOM 69 HE2 HIS 7 -34.598 37.221 61.840 1.00 0.00 0.166 HD +ATOM 70 N ILE 8 -34.416 34.502 55.043 0.00 0.00 -0.346 N +ATOM 71 HN ILE 8 -34.902 33.912 55.718 1.00 0.00 0.163 HD +ATOM 72 CA ILE 8 -34.486 34.190 53.623 0.00 0.00 0.180 C +ATOM 73 C ILE 8 -35.065 35.425 52.913 0.00 0.00 0.243 C +ATOM 74 O ILE 8 -35.855 36.169 53.508 0.00 0.00 -0.271 OA +ATOM 75 CB ILE 8 -35.333 32.933 53.350 0.00 0.00 0.013 C +ATOM 76 CG1 ILE 8 -36.801 33.173 53.710 0.00 0.00 0.002 C +ATOM 77 CG2 ILE 8 -34.756 31.715 54.075 0.00 0.00 0.012 C +ATOM 78 CD1 ILE 8 -37.688 32.049 53.170 0.00 0.00 0.005 C +ATOM 79 N PRO 9 -34.646 35.685 51.661 0.00 0.00 -0.337 N +ATOM 80 CA PRO 9 -33.714 34.907 50.848 0.00 0.00 0.179 C +ATOM 81 C PRO 9 -32.258 35.444 50.895 0.00 0.00 0.241 C +ATOM 82 O PRO 9 -31.530 35.354 49.904 0.00 0.00 -0.271 OA +ATOM 83 CB PRO 9 -33.966 35.181 49.462 0.00 0.00 0.037 C +ATOM 84 CG PRO 9 -34.712 36.506 49.458 0.00 0.00 0.022 C +ATOM 85 CD PRO 9 -35.190 36.775 50.875 0.00 0.00 0.127 C +ATOM 86 N ASP 10 -31.857 35.994 52.042 0.00 0.00 -0.346 N +ATOM 87 HN ASP 10 -32.519 36.043 52.817 1.00 0.00 0.163 HD +ATOM 88 CA ASP 10 -30.508 36.531 52.239 0.00 0.00 0.186 C +ATOM 89 C ASP 10 -29.472 35.483 51.851 0.00 0.00 0.241 C +ATOM 90 O ASP 10 -29.290 34.486 52.566 0.00 0.00 -0.271 OA +ATOM 91 CB ASP 10 -30.307 36.923 53.715 0.00 0.00 0.147 C +ATOM 92 CG ASP 10 -29.041 37.732 54.002 0.00 0.00 0.175 C +ATOM 93 OD1 ASP 10 -29.045 38.649 54.837 0.00 0.00 -0.648 OA +ATOM 94 OD2 ASP 10 -28.004 37.384 53.318 0.00 0.00 -0.648 OA +ATOM 95 N GLU 11 -28.739 35.763 50.769 0.00 0.00 -0.346 N +ATOM 96 HN GLU 11 -28.894 36.647 50.284 1.00 0.00 0.163 HD +ATOM 97 CA GLU 11 -27.720 34.843 50.256 0.00 0.00 0.177 C +ATOM 98 C GLU 11 -26.624 34.528 51.261 0.00 0.00 0.241 C +ATOM 99 O GLU 11 -26.019 33.472 51.179 0.00 0.00 -0.271 OA +ATOM 100 CB GLU 11 -27.139 35.316 48.910 0.00 0.00 0.045 C +ATOM 101 CG GLU 11 -28.177 35.195 47.793 0.00 0.00 0.116 C +ATOM 102 CD GLU 11 -27.563 35.542 46.435 0.00 0.00 0.172 C +ATOM 103 OE1 GLU 11 -26.456 36.096 46.378 0.00 0.00 -0.648 OA +ATOM 104 OE2 GLU 11 -28.279 35.215 45.413 0.00 0.00 -0.648 OA +ATOM 105 N ARG 12 -26.426 35.392 52.252 0.00 0.00 -0.346 N +ATOM 106 HN ARG 12 -26.991 36.240 52.303 1.00 0.00 0.163 HD +ATOM 107 CA ARG 12 -25.404 35.138 53.272 0.00 0.00 0.176 C +ATOM 108 C ARG 12 -25.693 33.921 54.148 0.00 0.00 0.241 C +ATOM 109 O ARG 12 -24.784 33.395 54.808 0.00 0.00 -0.271 OA +ATOM 110 CB ARG 12 -25.170 36.368 54.169 0.00 0.00 0.036 C +ATOM 111 CG ARG 12 -24.369 37.441 53.430 0.00 0.00 0.023 C +ATOM 112 CD ARG 12 -24.289 38.729 54.252 0.00 0.00 0.138 C +ATOM 113 NE ARG 12 -25.649 39.253 54.507 0.00 0.00 -0.227 N +ATOM 114 HE ARG 12 -26.441 38.641 54.310 1.00 0.00 0.177 HD +ATOM 115 CZ ARG 12 -25.908 40.489 54.984 0.00 0.00 0.665 C +ATOM 116 NH1 ARG 12 -24.883 41.309 55.251 0.00 0.00 -0.235 N +ATOM 117 1HH1 ARG 12 -23.922 41.004 55.096 1.00 0.00 0.174 HD +ATOM 118 2HH1 ARG 12 -25.079 42.243 55.611 1.00 0.00 0.174 HD +ATOM 119 NH2 ARG 12 -27.170 40.889 55.188 0.00 0.00 -0.235 N +ATOM 120 1HH2 ARG 12 -27.951 40.265 54.985 1.00 0.00 0.174 HD +ATOM 121 2HH2 ARG 12 -27.366 41.823 55.548 1.00 0.00 0.174 HD +ATOM 122 N LEU 13 -26.957 33.495 54.182 0.00 0.00 -0.346 N +ATOM 123 HN LEU 13 -27.666 33.999 53.649 1.00 0.00 0.163 HD +ATOM 124 CA LEU 13 -27.353 32.322 54.966 0.00 0.00 0.177 C +ATOM 125 C LEU 13 -26.893 31.067 54.237 0.00 0.00 0.241 C +ATOM 126 O LEU 13 -26.939 29.963 54.777 0.00 0.00 -0.271 OA +ATOM 127 CB LEU 13 -28.882 32.269 55.144 0.00 0.00 0.038 C +ATOM 128 CG LEU 13 -29.476 33.264 56.143 0.00 0.00 -0.020 C +ATOM 129 CD1 LEU 13 -30.973 33.459 55.899 0.00 0.00 0.009 C +ATOM 130 CD2 LEU 13 -29.181 32.837 57.583 0.00 0.00 0.009 C +ATOM 131 N ARG 14 -26.475 31.231 52.994 0.00 0.00 -0.346 N +ATOM 132 HN ARG 14 -26.482 32.163 52.580 1.00 0.00 0.163 HD +ATOM 133 CA ARG 14 -26.003 30.097 52.205 0.00 0.00 0.176 C +ATOM 134 C ARG 14 -24.455 29.969 52.200 0.00 0.00 0.241 C +ATOM 135 O ARG 14 -23.887 29.124 51.496 0.00 0.00 -0.271 OA +ATOM 136 CB ARG 14 -26.564 30.215 50.776 0.00 0.00 0.036 C +ATOM 137 CG ARG 14 -28.031 30.650 50.797 0.00 0.00 0.023 C +ATOM 138 CD ARG 14 -28.958 29.466 50.516 0.00 0.00 0.138 C +ATOM 139 NE ARG 14 -28.875 28.485 51.621 0.00 0.00 -0.227 N +ATOM 140 HE ARG 14 -28.007 28.438 52.154 1.00 0.00 0.177 HD +ATOM 141 CZ ARG 14 -29.877 27.649 51.967 0.00 0.00 0.665 C +ATOM 142 NH1 ARG 14 -31.027 27.693 51.280 0.00 0.00 -0.235 N +ATOM 143 1HH1 ARG 14 -31.143 28.349 50.507 1.00 0.00 0.174 HD +ATOM 144 2HH1 ARG 14 -31.784 27.061 51.541 1.00 0.00 0.174 HD +ATOM 145 NH2 ARG 14 -29.724 26.788 52.982 0.00 0.00 -0.235 N +ATOM 146 1HH2 ARG 14 -28.849 26.755 53.505 1.00 0.00 0.174 HD +ATOM 147 2HH2 ARG 14 -30.481 26.156 53.243 1.00 0.00 0.174 HD +ATOM 148 N LYS 15 -23.803 30.754 53.054 0.00 0.00 -0.346 N +ATOM 149 HN LYS 15 -24.337 31.380 53.657 1.00 0.00 0.163 HD +ATOM 150 CA LYS 15 -22.352 30.747 53.154 0.00 0.00 0.176 C +ATOM 151 C LYS 15 -21.798 29.695 54.099 0.00 0.00 0.241 C +ATOM 152 O LYS 15 -22.258 29.578 55.239 0.00 0.00 -0.271 OA +ATOM 153 CB LYS 15 -21.861 32.149 53.560 0.00 0.00 0.035 C +ATOM 154 CG LYS 15 -22.056 33.150 52.420 0.00 0.00 0.004 C +ATOM 155 CD LYS 15 -21.521 34.531 52.806 0.00 0.00 0.027 C +ATOM 156 CE LYS 15 -20.049 34.455 53.215 0.00 0.00 0.229 C +ATOM 157 NZ LYS 15 -19.624 35.714 53.848 0.00 0.00 -0.079 N +ATOM 158 HZ1 LYS 15 -18.642 35.663 54.121 1.00 0.00 0.274 HD +ATOM 159 HZ2 LYS 15 -20.224 35.964 54.634 1.00 0.00 0.274 HD +ATOM 160 HZ3 LYS 15 -19.811 36.520 53.252 1.00 0.00 0.274 HD +ATOM 161 N VAL 16 -20.851 28.892 53.603 0.00 0.00 -0.346 N +ATOM 162 HN VAL 16 -20.557 29.023 52.635 1.00 0.00 0.163 HD +ATOM 163 CA VAL 16 -20.216 27.829 54.394 0.00 0.00 0.180 C +ATOM 164 C VAL 16 -19.156 28.427 55.310 0.00 0.00 0.241 C +ATOM 165 O VAL 16 -18.300 29.206 54.871 0.00 0.00 -0.271 OA +ATOM 166 CB VAL 16 -19.586 26.739 53.506 0.00 0.00 0.009 C +ATOM 167 CG1 VAL 16 -19.077 25.570 54.352 0.00 0.00 0.012 C +ATOM 168 CG2 VAL 16 -20.576 26.258 52.444 0.00 0.00 0.012 C +ATOM 169 N ALA 17 -19.241 28.075 56.590 0.00 0.00 -0.346 N +ATOM 170 HN ALA 17 -19.975 27.423 56.867 1.00 0.00 0.163 HD +ATOM 171 CA ALA 17 -18.333 28.577 57.618 0.00 0.00 0.172 C +ATOM 172 C ALA 17 -16.979 27.848 57.725 0.00 0.00 0.240 C +ATOM 173 O ALA 17 -16.875 26.636 57.523 0.00 0.00 -0.271 OA +ATOM 174 CB ALA 17 -19.051 28.577 58.980 0.00 0.00 0.042 C +ATOM 175 N LYS 18 -15.936 28.612 58.039 0.00 0.00 -0.346 N +ATOM 176 HN LYS 18 -16.075 29.612 58.186 1.00 0.00 0.163 HD +ATOM 177 CA LYS 18 -14.602 28.050 58.177 0.00 0.00 0.176 C +ATOM 178 C LYS 18 -14.355 27.744 59.643 0.00 0.00 0.243 C +ATOM 179 O LYS 18 -14.963 28.353 60.517 0.00 0.00 -0.271 OA +ATOM 180 CB LYS 18 -13.552 29.017 57.599 0.00 0.00 0.035 C +ATOM 181 CG LYS 18 -13.658 30.396 58.252 0.00 0.00 0.004 C +ATOM 182 CD LYS 18 -12.834 30.459 59.540 0.00 0.00 0.027 C +ATOM 183 CE LYS 18 -12.810 31.879 60.107 0.00 0.00 0.229 C +ATOM 184 NZ LYS 18 -12.057 31.917 61.371 0.00 0.00 -0.079 N +ATOM 185 HZ1 LYS 18 -12.041 32.864 61.749 1.00 0.00 0.274 HD +ATOM 186 HZ2 LYS 18 -11.117 31.536 61.264 1.00 0.00 0.274 HD +ATOM 187 HZ3 LYS 18 -12.418 31.245 62.048 1.00 0.00 0.274 HD +ATOM 188 N PRO 19 -13.493 26.763 59.937 0.00 0.00 -0.337 N +ATOM 189 CA PRO 19 -13.184 26.395 61.317 0.00 0.00 0.179 C +ATOM 190 C PRO 19 -12.671 27.583 62.124 0.00 0.00 0.241 C +ATOM 191 O PRO 19 -12.174 28.552 61.561 0.00 0.00 -0.271 OA +ATOM 192 CB PRO 19 -12.560 25.090 61.309 0.00 0.00 0.037 C +ATOM 193 CG PRO 19 -12.050 24.906 59.889 0.00 0.00 0.022 C +ATOM 194 CD PRO 19 -12.713 25.959 59.016 0.00 0.00 0.127 C +ATOM 195 N VAL 20 -12.833 27.512 63.443 0.00 0.00 -0.346 N +ATOM 196 HN VAL 20 -13.325 26.707 63.831 1.00 0.00 0.163 HD +ATOM 197 CA VAL 20 -12.338 28.535 64.359 0.00 0.00 0.180 C +ATOM 198 C VAL 20 -10.879 28.110 64.541 0.00 0.00 0.241 C +ATOM 199 O VAL 20 -10.606 26.917 64.732 0.00 0.00 -0.271 OA +ATOM 200 CB VAL 20 -13.061 28.465 65.717 0.00 0.00 0.009 C +ATOM 201 CG1 VAL 20 -12.251 29.169 66.807 0.00 0.00 0.012 C +ATOM 202 CG2 VAL 20 -14.471 29.051 65.617 0.00 0.00 0.012 C +ATOM 203 N GLU 21 -9.940 29.046 64.409 0.00 0.00 -0.346 N +ATOM 204 HN GLU 21 -10.205 30.009 64.201 1.00 0.00 0.163 HD +ATOM 205 CA GLU 21 -8.532 28.692 64.563 0.00 0.00 0.177 C +ATOM 206 C GLU 21 -8.175 28.274 65.967 0.00 0.00 0.241 C +ATOM 207 O GLU 21 -7.717 27.152 66.176 0.00 0.00 -0.271 OA +ATOM 208 CB GLU 21 -7.612 29.811 64.040 0.00 0.00 0.045 C +ATOM 209 CG GLU 21 -7.490 29.752 62.516 0.00 0.00 0.116 C +ATOM 210 CD GLU 21 -7.103 28.347 62.050 0.00 0.00 0.172 C +ATOM 211 OE1 GLU 21 -6.207 27.723 62.639 0.00 0.00 -0.648 OA +ATOM 212 OE2 GLU 21 -7.770 27.904 61.039 0.00 0.00 -0.648 OA +ATOM 213 N GLU 22 -8.407 29.156 66.927 0.00 0.00 -0.346 N +ATOM 214 HN GLU 22 -8.791 30.069 66.681 1.00 0.00 0.163 HD +ATOM 215 CA GLU 22 -8.129 28.857 68.323 0.00 0.00 0.177 C +ATOM 216 C GLU 22 -9.146 29.642 69.129 0.00 0.00 0.241 C +ATOM 217 O GLU 22 -9.444 30.788 68.798 0.00 0.00 -0.271 OA +ATOM 218 CB GLU 22 -6.700 29.271 68.721 0.00 0.00 0.045 C +ATOM 219 CG GLU 22 -5.666 28.312 68.127 0.00 0.00 0.116 C +ATOM 220 CD GLU 22 -5.861 26.893 68.666 0.00 0.00 0.172 C +ATOM 221 OE1 GLU 22 -6.218 25.983 67.903 0.00 0.00 -0.648 OA +ATOM 222 OE2 GLU 22 -5.626 26.752 69.926 0.00 0.00 -0.648 OA +ATOM 223 N VAL 23 -9.707 29.009 70.157 0.00 0.00 -0.346 N +ATOM 224 HN VAL 23 -9.428 28.049 70.358 1.00 0.00 0.163 HD +ATOM 225 CA VAL 23 -10.709 29.648 71.005 0.00 0.00 0.180 C +ATOM 226 C VAL 23 -10.077 30.718 71.889 0.00 0.00 0.241 C +ATOM 227 O VAL 23 -9.470 30.418 72.915 0.00 0.00 -0.271 OA +ATOM 228 CB VAL 23 -11.458 28.629 71.883 0.00 0.00 0.009 C +ATOM 229 CG1 VAL 23 -12.601 29.299 72.648 0.00 0.00 0.012 C +ATOM 230 CG2 VAL 23 -11.972 27.456 71.045 0.00 0.00 0.012 C +ATOM 231 N ASN 24 -10.246 31.968 71.485 0.00 0.00 -0.346 N +ATOM 232 HN ASN 24 -10.788 32.143 70.639 1.00 0.00 0.163 HD +ATOM 233 CA ASN 24 -9.686 33.098 72.206 0.00 0.00 0.185 C +ATOM 234 C ASN 24 -10.787 34.022 72.722 0.00 0.00 0.241 C +ATOM 235 O ASN 24 -11.975 33.741 72.546 0.00 0.00 -0.271 OA +ATOM 236 CB ASN 24 -8.721 33.860 71.278 0.00 0.00 0.137 C +ATOM 237 CG ASN 24 -9.398 34.209 69.951 0.00 0.00 0.217 C +ATOM 238 OD1 ASN 24 -10.510 34.709 69.905 0.00 0.00 -0.274 OA +ATOM 239 ND2 ASN 24 -8.667 33.919 68.879 0.00 0.00 -0.370 N +ATOM 240 1HD2 ASN 24 -9.118 34.152 67.994 1.00 0.00 0.159 HD +ATOM 241 2HD2 ASN 24 -7.737 33.501 68.917 1.00 0.00 0.159 HD +ATOM 242 N ALA 25 -10.384 35.137 73.327 0.00 0.00 -0.346 N +ATOM 243 HN ALA 25 -9.382 35.316 73.399 1.00 0.00 0.163 HD +ATOM 244 CA ALA 25 -11.309 36.116 73.892 0.00 0.00 0.172 C +ATOM 245 C ALA 25 -12.304 36.710 72.906 0.00 0.00 0.240 C +ATOM 246 O ALA 25 -13.375 37.171 73.313 0.00 0.00 -0.271 OA +ATOM 247 CB ALA 25 -10.525 37.248 74.581 0.00 0.00 0.042 C +ATOM 248 N GLU 26 -11.933 36.754 71.631 0.00 0.00 -0.346 N +ATOM 249 HN GLU 26 -11.009 36.410 71.369 1.00 0.00 0.163 HD +ATOM 250 CA GLU 26 -12.816 37.283 70.595 0.00 0.00 0.177 C +ATOM 251 C GLU 26 -13.887 36.229 70.264 0.00 0.00 0.241 C +ATOM 252 O GLU 26 -15.060 36.557 70.096 0.00 0.00 -0.271 OA +ATOM 253 CB GLU 26 -11.993 37.647 69.346 0.00 0.00 0.045 C +ATOM 254 CG GLU 26 -12.616 38.832 68.604 0.00 0.00 0.116 C +ATOM 255 CD GLU 26 -13.543 38.352 67.486 0.00 0.00 0.172 C +ATOM 256 OE1 GLU 26 -13.095 37.646 66.570 0.00 0.00 -0.648 OA +ATOM 257 OE2 GLU 26 -14.769 38.738 67.590 0.00 0.00 -0.648 OA +ATOM 258 N ILE 27 -13.474 34.962 70.211 0.00 0.00 -0.346 N +ATOM 259 HN ILE 27 -12.487 34.763 70.374 1.00 0.00 0.163 HD +ATOM 260 CA ILE 27 -14.378 33.843 69.929 0.00 0.00 0.180 C +ATOM 261 C ILE 27 -15.395 33.759 71.069 0.00 0.00 0.241 C +ATOM 262 O ILE 27 -16.601 33.641 70.845 0.00 0.00 -0.271 OA +ATOM 263 CB ILE 27 -13.602 32.517 69.821 0.00 0.00 0.013 C +ATOM 264 CG1 ILE 27 -12.597 32.563 68.668 0.00 0.00 0.002 C +ATOM 265 CG2 ILE 27 -14.560 31.330 69.700 0.00 0.00 0.012 C +ATOM 266 CD1 ILE 27 -13.279 32.977 67.362 0.00 0.00 0.005 C +ATOM 267 N GLN 28 -14.892 33.890 72.291 0.00 0.00 -0.346 N +ATOM 268 HN GLN 28 -13.887 34.025 72.398 1.00 0.00 0.163 HD +ATOM 269 CA GLN 28 -15.722 33.848 73.477 0.00 0.00 0.177 C +ATOM 270 C GLN 28 -16.700 35.022 73.536 0.00 0.00 0.241 C +ATOM 271 O GLN 28 -17.781 34.888 74.100 0.00 0.00 -0.271 OA +ATOM 272 CB GLN 28 -14.845 33.745 74.739 0.00 0.00 0.044 C +ATOM 273 CG GLN 28 -14.011 32.462 74.724 0.00 0.00 0.105 C +ATOM 274 CD GLN 28 -13.232 32.300 76.030 0.00 0.00 0.215 C +ATOM 275 OE1 GLN 28 -13.620 32.787 77.080 0.00 0.00 -0.274 OA +ATOM 276 NE2 GLN 28 -12.113 31.591 75.908 0.00 0.00 -0.370 N +ATOM 277 1HE2 GLN 28 -11.593 31.483 76.779 1.00 0.00 0.159 HD +ATOM 278 2HE2 GLN 28 -11.789 31.184 75.031 1.00 0.00 0.159 HD +ATOM 279 N ARG 29 -16.364 36.139 72.894 0.00 0.00 -0.346 N +ATOM 280 HN ARG 29 -15.467 36.190 72.412 1.00 0.00 0.163 HD +ATOM 281 CA ARG 29 -17.263 37.295 72.869 0.00 0.00 0.176 C +ATOM 282 C ARG 29 -18.379 37.041 71.847 0.00 0.00 0.241 C +ATOM 283 O ARG 29 -19.509 37.517 72.007 0.00 0.00 -0.271 OA +ATOM 284 CB ARG 29 -16.500 38.586 72.518 0.00 0.00 0.036 C +ATOM 285 CG ARG 29 -15.383 38.855 73.528 0.00 0.00 0.023 C +ATOM 286 CD ARG 29 -14.625 40.137 73.180 0.00 0.00 0.138 C +ATOM 287 NE ARG 29 -13.551 40.376 74.170 0.00 0.00 -0.227 N +ATOM 288 HE ARG 29 -13.441 39.702 74.928 1.00 0.00 0.177 HD +ATOM 289 CZ ARG 29 -12.708 41.429 74.133 0.00 0.00 0.665 C +ATOM 290 NH1 ARG 29 -12.834 42.328 73.147 0.00 0.00 -0.235 N +ATOM 291 1HH1 ARG 29 -13.556 42.218 72.435 1.00 0.00 0.174 HD +ATOM 292 2HH1 ARG 29 -12.197 43.124 73.119 1.00 0.00 0.174 HD +ATOM 293 NH2 ARG 29 -11.759 41.574 75.068 0.00 0.00 -0.235 N +ATOM 294 1HH2 ARG 29 -11.663 40.890 75.818 1.00 0.00 0.174 HD +ATOM 295 2HH2 ARG 29 -11.122 42.370 75.040 1.00 0.00 0.174 HD +ATOM 296 N ILE 30 -18.049 36.303 70.787 0.00 0.00 -0.346 N +ATOM 297 HN ILE 30 -17.091 35.964 70.697 1.00 0.00 0.163 HD +ATOM 298 CA ILE 30 -19.021 35.967 69.752 0.00 0.00 0.180 C +ATOM 299 C ILE 30 -20.023 34.977 70.359 0.00 0.00 0.241 C +ATOM 300 O ILE 30 -21.234 35.048 70.088 0.00 0.00 -0.271 OA +ATOM 301 CB ILE 30 -18.337 35.382 68.503 0.00 0.00 0.013 C +ATOM 302 CG1 ILE 30 -17.384 36.400 67.872 0.00 0.00 0.002 C +ATOM 303 CG2 ILE 30 -19.372 34.869 67.500 0.00 0.00 0.012 C +ATOM 304 CD1 ILE 30 -16.741 35.836 66.603 0.00 0.00 0.005 C +ATOM 305 N VAL 31 -19.529 34.110 71.239 0.00 0.00 -0.346 N +ATOM 306 HN VAL 31 -18.533 34.139 71.459 1.00 0.00 0.163 HD +ATOM 307 CA VAL 31 -20.371 33.122 71.896 0.00 0.00 0.180 C +ATOM 308 C VAL 31 -21.436 33.779 72.788 0.00 0.00 0.241 C +ATOM 309 O VAL 31 -22.590 33.340 72.823 0.00 0.00 -0.271 OA +ATOM 310 CB VAL 31 -19.511 32.079 72.634 0.00 0.00 0.009 C +ATOM 311 CG1 VAL 31 -20.337 31.331 73.683 0.00 0.00 0.012 C +ATOM 312 CG2 VAL 31 -18.866 31.104 71.647 0.00 0.00 0.012 C +ATOM 313 N ASP 32 -21.075 34.886 73.430 0.00 0.00 -0.345 N +ATOM 314 HN ASP 32 -20.124 35.236 73.318 1.00 0.00 0.163 HD +ATOM 315 CA ASP 32 -22.005 35.616 74.293 0.00 0.00 0.186 C +ATOM 316 C ASP 32 -23.082 36.367 73.516 0.00 0.00 0.241 C +ATOM 317 O ASP 32 -24.257 36.323 73.880 0.00 0.00 -0.271 OA +ATOM 318 CB ASP 32 -21.247 36.612 75.190 0.00 0.00 0.147 C +ATOM 319 CG ASP 32 -20.376 35.973 76.273 0.00 0.00 0.175 C +ATOM 320 OD1 ASP 32 -20.338 34.742 76.419 0.00 0.00 -0.648 OA +ATOM 321 OD2 ASP 32 -19.707 36.806 76.997 0.00 0.00 -0.648 OA +ATOM 322 N ASP 33 -22.676 37.102 72.487 0.00 0.00 -0.345 N +ATOM 323 HN ASP 33 -21.681 37.147 72.266 1.00 0.00 0.163 HD +ATOM 324 CA ASP 33 -23.626 37.846 71.666 0.00 0.00 0.186 C +ATOM 325 C ASP 33 -24.648 36.880 71.058 0.00 0.00 0.241 C +ATOM 326 O ASP 33 -25.841 37.196 70.933 0.00 0.00 -0.271 OA +ATOM 327 CB ASP 33 -22.877 38.574 70.534 0.00 0.00 0.147 C +ATOM 328 CG ASP 33 -21.910 39.666 70.997 0.00 0.00 0.175 C +ATOM 329 OD1 ASP 33 -21.638 39.811 72.198 0.00 0.00 -0.648 OA +ATOM 330 OD2 ASP 33 -21.421 40.397 70.053 0.00 0.00 -0.648 OA +ATOM 331 N MET 34 -24.146 35.709 70.666 0.00 0.00 -0.346 N +ATOM 332 HN MET 34 -23.147 35.545 70.787 1.00 0.00 0.163 HD +ATOM 333 CA MET 34 -24.955 34.653 70.074 0.00 0.00 0.177 C +ATOM 334 C MET 34 -25.992 34.140 71.075 0.00 0.00 0.241 C +ATOM 335 O MET 34 -27.160 34.008 70.735 0.00 0.00 -0.271 OA +ATOM 336 CB MET 34 -24.057 33.504 69.579 0.00 0.00 0.045 C +ATOM 337 CG MET 34 -23.537 33.784 68.167 0.00 0.00 0.076 C +ATOM 338 SD MET 34 -22.504 32.401 67.600 0.00 0.00 -0.173 SA +ATOM 339 CE MET 34 -23.765 31.101 67.459 0.00 0.00 0.089 C +ATOM 340 N PHE 35 -25.560 33.839 72.295 0.00 0.00 -0.346 N +ATOM 341 HN PHE 35 -24.566 33.932 72.503 1.00 0.00 0.163 HD +ATOM 342 CA PHE 35 -26.464 33.378 73.350 0.00 0.00 0.180 C +ATOM 343 C PHE 35 -27.525 34.445 73.657 0.00 0.00 0.241 C +ATOM 344 O PHE 35 -28.720 34.150 73.749 0.00 0.00 -0.271 OA +ATOM 345 CB PHE 35 -25.662 33.099 74.635 0.00 0.00 0.073 C +ATOM 346 CG PHE 35 -25.254 31.644 74.825 0.00 0.00 -0.056 A +ATOM 347 CD1 PHE 35 -23.917 31.313 75.147 0.00 0.00 0.007 A +ATOM 348 CD2 PHE 35 -26.211 30.614 74.673 0.00 0.00 0.007 A +ATOM 349 CE1 PHE 35 -23.542 29.963 75.317 0.00 0.00 0.001 A +ATOM 350 CE2 PHE 35 -25.835 29.265 74.844 0.00 0.00 0.001 A +ATOM 351 CZ PHE 35 -24.500 28.939 75.167 0.00 0.00 0.000 A +ATOM 352 N GLU 36 -27.062 35.688 73.778 0.00 0.00 -0.346 N +ATOM 353 HN GLU 36 -26.058 35.827 73.666 1.00 0.00 0.163 HD +ATOM 354 CA GLU 36 -27.874 36.866 74.057 0.00 0.00 0.177 C +ATOM 355 C GLU 36 -28.947 37.091 72.982 0.00 0.00 0.241 C +ATOM 356 O GLU 36 -30.068 37.528 73.272 0.00 0.00 -0.271 OA +ATOM 357 CB GLU 36 -26.914 38.068 74.129 0.00 0.00 0.045 C +ATOM 358 CG GLU 36 -27.676 39.361 74.428 0.00 0.00 0.116 C +ATOM 359 CD GLU 36 -26.711 40.512 74.720 0.00 0.00 0.172 C +ATOM 360 OE1 GLU 36 -25.496 40.289 74.825 0.00 0.00 -0.648 OA +ATOM 361 OE2 GLU 36 -27.264 41.671 74.837 0.00 0.00 -0.648 OA +ATOM 362 N THR 37 -28.578 36.825 71.734 0.00 0.00 -0.344 N +ATOM 363 HN THR 37 -27.622 36.514 71.560 1.00 0.00 0.163 HD +ATOM 364 CA THR 37 -29.487 36.960 70.604 0.00 0.00 0.205 C +ATOM 365 C THR 37 -30.464 35.767 70.616 0.00 0.00 0.243 C +ATOM 366 O THR 37 -31.647 35.920 70.318 0.00 0.00 -0.271 OA +ATOM 367 CB THR 37 -28.694 36.993 69.284 0.00 0.00 0.146 C +ATOM 368 OG1 THR 37 -27.807 38.097 69.439 0.00 0.00 -0.393 OA +ATOM 369 CG2 THR 37 -29.566 37.380 68.087 0.00 0.00 0.042 C +ATOM 370 HOG THR 37 -27.279 38.182 68.654 0.00 0.00 0.210 HD +ATOM 371 N MET 38 -29.957 34.593 70.989 0.00 0.00 -0.346 N +ATOM 372 HN MET 38 -28.968 34.548 71.234 1.00 0.00 0.163 HD +ATOM 373 CA MET 38 -30.749 33.364 71.065 0.00 0.00 0.177 C +ATOM 374 C MET 38 -31.869 33.506 72.100 0.00 0.00 0.241 C +ATOM 375 O MET 38 -33.039 33.210 71.826 0.00 0.00 -0.271 OA +ATOM 376 CB MET 38 -29.853 32.167 71.436 0.00 0.00 0.045 C +ATOM 377 CG MET 38 -30.663 30.871 71.485 0.00 0.00 0.076 C +ATOM 378 SD MET 38 -29.655 29.534 72.189 0.00 0.00 -0.173 SA +ATOM 379 CE MET 38 -30.081 29.708 73.947 0.00 0.00 0.089 C +ATOM 380 N TYR 39 -31.492 33.952 73.291 0.00 0.00 -0.346 N +ATOM 381 HN TYR 39 -30.506 34.159 73.454 1.00 0.00 0.163 HD +ATOM 382 CA TYR 39 -32.441 34.154 74.367 0.00 0.00 0.180 C +ATOM 383 C TYR 39 -33.429 35.280 74.019 0.00 0.00 0.241 C +ATOM 384 O TYR 39 -34.623 35.160 74.267 0.00 0.00 -0.271 OA +ATOM 385 CB TYR 39 -31.683 34.472 75.670 0.00 0.00 0.073 C +ATOM 386 CG TYR 39 -30.871 33.311 76.227 0.00 0.00 -0.056 A +ATOM 387 CD1 TYR 39 -29.607 33.540 76.817 0.00 0.00 0.010 A +ATOM 388 CD2 TYR 39 -31.377 31.993 76.150 0.00 0.00 0.010 A +ATOM 389 CE1 TYR 39 -28.856 32.461 77.329 0.00 0.00 0.037 A +ATOM 390 CE2 TYR 39 -30.627 30.913 76.662 0.00 0.00 0.037 A +ATOM 391 CZ TYR 39 -29.366 31.146 77.253 0.00 0.00 0.065 A +ATOM 392 OH TYR 39 -28.643 30.098 77.748 0.00 0.00 -0.361 OA +ATOM 393 HOH TYR 39 -27.827 30.427 78.107 0.00 0.00 0.217 HD +ATOM 394 N ALA 40 -32.941 36.336 73.380 0.00 0.00 -0.346 N +ATOM 395 HN ALA 40 -31.948 36.366 73.149 1.00 0.00 0.163 HD +ATOM 396 CA ALA 40 -33.796 37.453 73.002 0.00 0.00 0.172 C +ATOM 397 C ALA 40 -34.875 37.053 72.008 0.00 0.00 0.240 C +ATOM 398 O ALA 40 -36.012 37.534 72.084 0.00 0.00 -0.271 OA +ATOM 399 CB ALA 40 -32.956 38.598 72.406 0.00 0.00 0.042 C +ATOM 400 N GLU 41 -34.512 36.199 71.057 0.00 0.00 -0.346 N +ATOM 401 HN GLU 41 -33.558 35.839 71.047 1.00 0.00 0.163 HD +ATOM 402 CA GLU 41 -35.449 35.766 70.027 0.00 0.00 0.177 C +ATOM 403 C GLU 41 -36.228 34.525 70.410 0.00 0.00 0.241 C +ATOM 404 O GLU 41 -36.950 33.965 69.591 0.00 0.00 -0.271 OA +ATOM 405 CB GLU 41 -34.721 35.541 68.689 0.00 0.00 0.045 C +ATOM 406 CG GLU 41 -33.878 36.760 68.311 0.00 0.00 0.116 C +ATOM 407 CD GLU 41 -34.742 38.020 68.229 0.00 0.00 0.172 C +ATOM 408 OE1 GLU 41 -35.741 38.040 67.494 0.00 0.00 -0.648 OA +ATOM 409 OE2 GLU 41 -34.345 39.003 68.964 0.00 0.00 -0.648 OA +ATOM 410 N GLU 42 -36.089 34.104 71.658 0.00 0.00 -0.346 N +ATOM 411 HN GLU 42 -35.469 34.612 72.289 1.00 0.00 0.163 HD +ATOM 412 CA GLU 42 -36.801 32.932 72.151 0.00 0.00 0.177 C +ATOM 413 C GLU 42 -36.454 31.654 71.369 0.00 0.00 0.240 C +ATOM 414 O GLU 42 -37.308 30.801 71.120 0.00 0.00 -0.271 OA +ATOM 415 CB GLU 42 -38.319 33.193 72.155 0.00 0.00 0.045 C +ATOM 416 CG GLU 42 -38.676 34.336 73.107 0.00 0.00 0.116 C +ATOM 417 CD GLU 42 -40.157 34.705 72.989 0.00 0.00 0.172 C +ATOM 418 OE1 GLU 42 -41.022 33.819 73.044 0.00 0.00 -0.648 OA +ATOM 419 OE2 GLU 42 -40.395 35.963 72.837 0.00 0.00 -0.648 OA +ATOM 420 N GLY 43 -35.186 31.544 70.984 0.00 0.00 -0.351 N +ATOM 421 HN GLY 43 -34.531 32.298 71.193 1.00 0.00 0.163 HD +ATOM 422 CA GLY 43 -34.720 30.374 70.274 0.00 0.00 0.225 C +ATOM 423 C GLY 43 -34.045 29.437 71.257 0.00 0.00 0.236 C +ATOM 424 O GLY 43 -33.557 29.864 72.304 0.00 0.00 -0.272 OA +ATOM 425 N ILE 44 -34.028 28.153 70.936 0.00 0.00 -0.346 N +ATOM 426 HN ILE 44 -34.462 27.850 70.064 1.00 0.00 0.163 HD +ATOM 427 CA ILE 44 -33.403 27.164 71.802 0.00 0.00 0.180 C +ATOM 428 C ILE 44 -31.950 26.857 71.335 0.00 0.00 0.241 C +ATOM 429 O ILE 44 -31.142 26.261 72.070 0.00 0.00 -0.271 OA +ATOM 430 CB ILE 44 -34.326 25.936 71.912 0.00 0.00 0.013 C +ATOM 431 CG1 ILE 44 -34.949 25.842 73.307 0.00 0.00 0.002 C +ATOM 432 CG2 ILE 44 -33.582 24.655 71.529 0.00 0.00 0.012 C +ATOM 433 CD1 ILE 44 -35.799 27.077 73.612 0.00 0.00 0.005 C +ATOM 434 N GLY 45 -31.610 27.337 70.139 0.00 0.00 -0.351 N +ATOM 435 HN GLY 45 -32.296 27.857 69.591 1.00 0.00 0.163 HD +ATOM 436 CA GLY 45 -30.277 27.129 69.607 0.00 0.00 0.225 C +ATOM 437 C GLY 45 -29.934 28.234 68.628 0.00 0.00 0.236 C +ATOM 438 O GLY 45 -30.840 28.974 68.199 0.00 0.00 -0.272 OA +ATOM 439 N LEU 46 -28.643 28.350 68.279 0.00 0.00 -0.346 N +ATOM 440 HN LEU 46 -27.965 27.710 68.693 1.00 0.00 0.163 HD +ATOM 441 CA LEU 46 -28.167 29.361 67.326 0.00 0.00 0.177 C +ATOM 442 C LEU 46 -26.792 29.000 66.718 0.00 0.00 0.241 C +ATOM 443 O LEU 46 -25.935 28.425 67.387 0.00 0.00 -0.271 OA +ATOM 444 CB LEU 46 -28.095 30.742 68.004 0.00 0.00 0.038 C +ATOM 445 CG LEU 46 -28.070 31.950 67.064 0.00 0.00 -0.020 C +ATOM 446 CD1 LEU 46 -29.465 32.238 66.505 0.00 0.00 0.009 C +ATOM 447 CD2 LEU 46 -27.467 33.172 67.759 0.00 0.00 0.009 C +ATOM 448 N ALA 47 -26.636 29.284 65.426 0.00 0.00 -0.346 N +ATOM 449 HN ALA 47 -27.424 29.691 64.922 1.00 0.00 0.163 HD +ATOM 450 CA ALA 47 -25.396 29.043 64.692 0.00 0.00 0.172 C +ATOM 451 C ALA 47 -24.879 30.410 64.203 0.00 0.00 0.240 C +ATOM 452 O ALA 47 -25.667 31.248 63.739 0.00 0.00 -0.271 OA +ATOM 453 CB ALA 47 -25.654 28.096 63.505 0.00 0.00 0.042 C +ATOM 454 N ALA 48 -23.568 30.645 64.309 0.00 0.00 -0.346 N +ATOM 455 HN ALA 48 -22.964 29.910 64.678 1.00 0.00 0.163 HD +ATOM 456 CA ALA 48 -22.964 31.930 63.911 0.00 0.00 0.172 C +ATOM 457 C ALA 48 -23.393 32.471 62.554 0.00 0.00 0.240 C +ATOM 458 O ALA 48 -23.594 33.673 62.394 0.00 0.00 -0.271 OA +ATOM 459 CB ALA 48 -21.428 31.849 63.981 0.00 0.00 0.042 C +ATOM 460 N THR 49 -23.563 31.583 61.587 0.00 0.00 -0.344 N +ATOM 461 HN THR 49 -23.399 30.597 61.792 1.00 0.00 0.163 HD +ATOM 462 CA THR 49 -23.976 31.960 60.239 0.00 0.00 0.205 C +ATOM 463 C THR 49 -25.218 32.877 60.133 0.00 0.00 0.243 C +ATOM 464 O THR 49 -25.285 33.763 59.261 0.00 0.00 -0.271 OA +ATOM 465 CB THR 49 -24.243 30.687 59.415 0.00 0.00 0.146 C +ATOM 466 OG1 THR 49 -23.053 29.918 59.568 0.00 0.00 -0.393 OA +ATOM 467 CG2 THR 49 -24.315 30.966 57.912 0.00 0.00 0.042 C +ATOM 468 HOG THR 49 -23.144 29.107 59.082 0.00 0.00 0.210 HD +ATOM 469 N GLN 50 -26.193 32.654 61.016 0.00 0.00 -0.346 N +ATOM 470 HN GLN 50 -26.059 31.923 61.715 1.00 0.00 0.163 HD +ATOM 471 CA GLN 50 -27.454 33.416 61.026 0.00 0.00 0.177 C +ATOM 472 C GLN 50 -27.231 34.853 61.420 0.00 0.00 0.241 C +ATOM 473 O GLN 50 -28.061 35.716 61.158 0.00 0.00 -0.271 OA +ATOM 474 CB GLN 50 -28.429 32.802 62.048 0.00 0.00 0.044 C +ATOM 475 CG GLN 50 -28.602 31.301 61.808 0.00 0.00 0.105 C +ATOM 476 CD GLN 50 -29.636 30.708 62.767 0.00 0.00 0.215 C +ATOM 477 OE1 GLN 50 -29.328 29.909 63.636 0.00 0.00 -0.274 OA +ATOM 478 NE2 GLN 50 -30.876 31.143 62.562 0.00 0.00 -0.370 N +ATOM 479 1HE2 GLN 50 -31.134 31.811 61.835 1.00 0.00 0.159 HD +ATOM 480 2HE2 GLN 50 -31.565 30.748 63.201 1.00 0.00 0.159 HD +ATOM 481 N VAL 51 -26.126 35.083 62.115 0.00 0.00 -0.346 N +ATOM 482 HN VAL 51 -25.510 34.300 62.332 1.00 0.00 0.163 HD +ATOM 483 CA VAL 51 -25.761 36.409 62.578 0.00 0.00 0.180 C +ATOM 484 C VAL 51 -24.754 37.106 61.640 0.00 0.00 0.241 C +ATOM 485 O VAL 51 -24.409 38.268 61.840 0.00 0.00 -0.271 OA +ATOM 486 CB VAL 51 -25.267 36.297 64.032 0.00 0.00 0.009 C +ATOM 487 CG1 VAL 51 -24.294 37.429 64.369 0.00 0.00 0.012 C +ATOM 488 CG2 VAL 51 -26.443 36.276 65.011 0.00 0.00 0.012 C +ATOM 489 N ASP 52 -24.370 36.419 60.566 0.00 0.00 -0.345 N +ATOM 490 HN ASP 52 -24.754 35.485 60.424 1.00 0.00 0.163 HD +ATOM 491 CA ASP 52 -23.421 36.941 59.578 0.00 0.00 0.186 C +ATOM 492 C ASP 52 -21.968 36.743 60.041 0.00 0.00 0.241 C +ATOM 493 O ASP 52 -21.073 37.482 59.635 0.00 0.00 -0.271 OA +ATOM 494 CB ASP 52 -23.723 38.417 59.260 0.00 0.00 0.147 C +ATOM 495 CG ASP 52 -23.149 38.924 57.935 0.00 0.00 0.175 C +ATOM 496 OD1 ASP 52 -22.859 38.136 57.022 0.00 0.00 -0.648 OA +ATOM 497 OD2 ASP 52 -23.000 40.203 57.859 0.00 0.00 -0.648 OA +ATOM 498 N ILE 53 -21.752 35.747 60.899 0.00 0.00 -0.346 N +ATOM 499 HN ILE 53 -22.546 35.195 61.223 1.00 0.00 0.163 HD +ATOM 500 CA ILE 53 -20.413 35.417 61.393 0.00 0.00 0.180 C +ATOM 501 C ILE 53 -20.102 34.016 60.875 0.00 0.00 0.241 C +ATOM 502 O ILE 53 -20.590 33.008 61.398 0.00 0.00 -0.271 OA +ATOM 503 CB ILE 53 -20.316 35.482 62.929 0.00 0.00 0.013 C +ATOM 504 CG1 ILE 53 -20.385 36.929 63.422 0.00 0.00 0.002 C +ATOM 505 CG2 ILE 53 -19.062 34.764 63.430 0.00 0.00 0.012 C +ATOM 506 CD1 ILE 53 -20.416 36.986 64.950 0.00 0.00 0.005 C +ATOM 507 N HIS 54 -19.258 33.956 59.856 0.00 0.00 -0.346 N +ATOM 508 HN HIS 54 -18.824 34.812 59.511 1.00 0.00 0.163 HD +ATOM 509 CA HIS 54 -18.945 32.695 59.228 0.00 0.00 0.182 C +ATOM 510 C HIS 54 -17.816 31.819 59.774 0.00 0.00 0.241 C +ATOM 511 O HIS 54 -16.825 31.534 59.078 0.00 0.00 -0.271 OA +ATOM 512 CB HIS 54 -18.877 32.907 57.704 0.00 0.00 0.093 C +ATOM 513 CG HIS 54 -20.110 33.552 57.118 0.00 0.00 0.028 A +ATOM 514 ND1 HIS 54 -20.218 34.916 56.914 0.00 0.00 -0.354 N +ATOM 515 HD1 HIS 54 -19.502 35.610 57.130 1.00 0.00 0.166 HD +ATOM 516 CD2 HIS 54 -21.285 33.005 56.694 0.00 0.00 0.114 A +ATOM 517 CE1 HIS 54 -21.409 35.168 56.391 0.00 0.00 0.180 A +ATOM 518 NE2 HIS 54 -22.069 33.982 56.256 0.00 0.00 -0.360 N +ATOM 519 HE2 HIS 54 -23.010 33.865 55.880 1.00 0.00 0.166 HD +ATOM 520 N GLN 55 -18.043 31.315 60.988 0.00 0.00 -0.346 N +ATOM 521 HN GLN 55 -18.911 31.575 61.456 1.00 0.00 0.163 HD +ATOM 522 CA GLN 55 -17.130 30.414 61.693 0.00 0.00 0.177 C +ATOM 523 C GLN 55 -17.979 29.314 62.332 0.00 0.00 0.241 C +ATOM 524 O GLN 55 -19.146 29.538 62.632 0.00 0.00 -0.271 OA +ATOM 525 CB GLN 55 -16.341 31.155 62.788 0.00 0.00 0.044 C +ATOM 526 CG GLN 55 -15.387 32.183 62.177 0.00 0.00 0.105 C +ATOM 527 CD GLN 55 -14.393 32.697 63.220 0.00 0.00 0.215 C +ATOM 528 OE1 GLN 55 -14.452 33.831 63.666 0.00 0.00 -0.274 OA +ATOM 529 NE2 GLN 55 -13.478 31.802 63.582 0.00 0.00 -0.370 N +ATOM 530 1HE2 GLN 55 -13.429 30.854 63.209 1.00 0.00 0.159 HD +ATOM 531 2HE2 GLN 55 -12.815 32.145 64.277 1.00 0.00 0.159 HD +ATOM 532 N ARG 56 -17.395 28.140 62.560 0.00 0.00 -0.346 N +ATOM 533 HN ARG 56 -16.407 28.025 62.332 1.00 0.00 0.163 HD +ATOM 534 CA ARG 56 -18.128 27.013 63.127 0.00 0.00 0.176 C +ATOM 535 C ARG 56 -18.429 27.085 64.600 0.00 0.00 0.241 C +ATOM 536 O ARG 56 -17.891 26.309 65.395 0.00 0.00 -0.271 OA +ATOM 537 CB ARG 56 -17.407 25.683 62.841 0.00 0.00 0.036 C +ATOM 538 CG ARG 56 -17.107 25.531 61.349 0.00 0.00 0.023 C +ATOM 539 CD ARG 56 -16.628 24.114 61.027 0.00 0.00 0.138 C +ATOM 540 NE ARG 56 -17.587 23.451 60.115 0.00 0.00 -0.227 N +ATOM 541 HE ARG 56 -17.715 23.849 59.184 1.00 0.00 0.177 HD +ATOM 542 CZ ARG 56 -18.303 22.353 60.438 0.00 0.00 0.665 C +ATOM 543 NH1 ARG 56 -18.152 21.813 61.655 0.00 0.00 -0.235 N +ATOM 544 1HH1 ARG 56 -17.506 22.226 62.328 1.00 0.00 0.174 HD +ATOM 545 2HH1 ARG 56 -18.693 20.983 61.899 1.00 0.00 0.174 HD +ATOM 546 NH2 ARG 56 -19.152 21.811 59.554 0.00 0.00 -0.235 N +ATOM 547 1HH2 ARG 56 -19.267 22.222 58.628 1.00 0.00 0.174 HD +ATOM 548 2HH2 ARG 56 -19.693 20.981 59.798 1.00 0.00 0.174 HD +ATOM 549 N ILE 57 -19.322 27.996 64.959 0.00 0.00 -0.346 N +ATOM 550 HN ILE 57 -19.737 28.597 64.247 1.00 0.00 0.163 HD +ATOM 551 CA ILE 57 -19.720 28.156 66.343 0.00 0.00 0.180 C +ATOM 552 C ILE 57 -21.233 27.945 66.444 0.00 0.00 0.241 C +ATOM 553 O ILE 57 -22.004 28.459 65.622 0.00 0.00 -0.271 OA +ATOM 554 CB ILE 57 -19.384 29.559 66.883 0.00 0.00 0.013 C +ATOM 555 CG1 ILE 57 -17.924 29.919 66.602 0.00 0.00 0.002 C +ATOM 556 CG2 ILE 57 -19.727 29.671 68.369 0.00 0.00 0.012 C +ATOM 557 CD1 ILE 57 -17.693 31.425 66.748 0.00 0.00 0.005 C +ATOM 558 N ILE 58 -21.638 27.185 67.455 0.00 0.00 -0.346 N +ATOM 559 HN ILE 58 -20.934 26.786 68.076 1.00 0.00 0.163 HD +ATOM 560 CA ILE 58 -23.050 26.893 67.720 0.00 0.00 0.180 C +ATOM 561 C ILE 58 -23.299 26.953 69.226 0.00 0.00 0.241 C +ATOM 562 O ILE 58 -22.511 26.426 70.010 0.00 0.00 -0.271 OA +ATOM 563 CB ILE 58 -23.411 25.467 67.265 0.00 0.00 0.013 C +ATOM 564 CG1 ILE 58 -23.482 25.380 65.739 0.00 0.00 0.002 C +ATOM 565 CG2 ILE 58 -24.706 24.991 67.927 0.00 0.00 0.012 C +ATOM 566 CD1 ILE 58 -23.338 23.933 65.264 0.00 0.00 0.005 C +ATOM 567 N VAL 59 -24.371 27.632 69.623 0.00 0.00 -0.346 N +ATOM 568 HN VAL 59 -24.935 28.118 68.925 1.00 0.00 0.163 HD +ATOM 569 CA VAL 59 -24.768 27.704 71.034 0.00 0.00 0.180 C +ATOM 570 C VAL 59 -26.176 27.072 71.120 0.00 0.00 0.241 C +ATOM 571 O VAL 59 -26.996 27.230 70.215 0.00 0.00 -0.271 OA +ATOM 572 CB VAL 59 -24.738 29.142 71.585 0.00 0.00 0.009 C +ATOM 573 CG1 VAL 59 -23.345 29.757 71.437 0.00 0.00 0.012 C +ATOM 574 CG2 VAL 59 -25.797 30.012 70.905 0.00 0.00 0.012 C +ATOM 575 N ILE 60 -26.409 26.306 72.172 0.00 0.00 -0.346 N +ATOM 576 HN ILE 60 -25.672 26.201 72.870 1.00 0.00 0.163 HD +ATOM 577 CA ILE 60 -27.667 25.605 72.382 0.00 0.00 0.180 C +ATOM 578 C ILE 60 -28.020 25.650 73.870 0.00 0.00 0.241 C +ATOM 579 O ILE 60 -27.162 25.404 74.724 0.00 0.00 -0.271 OA +ATOM 580 CB ILE 60 -27.523 24.119 72.006 0.00 0.00 0.013 C +ATOM 581 CG1 ILE 60 -27.531 23.935 70.487 0.00 0.00 0.002 C +ATOM 582 CG2 ILE 60 -28.596 23.272 72.692 0.00 0.00 0.012 C +ATOM 583 CD1 ILE 60 -27.204 22.489 70.108 0.00 0.00 0.005 C +ATOM 584 N ASP 61 -29.275 25.976 74.179 0.00 0.00 -0.345 N +ATOM 585 HN ASP 61 -29.918 26.235 73.431 1.00 0.00 0.163 HD +ATOM 586 CA ASP 61 -29.754 25.972 75.558 0.00 0.00 0.186 C +ATOM 587 C ASP 61 -31.226 25.582 75.548 0.00 0.00 0.241 C +ATOM 588 O ASP 61 -32.097 26.333 75.078 0.00 0.00 -0.271 OA +ATOM 589 CB ASP 61 -29.566 27.317 76.284 0.00 0.00 0.147 C +ATOM 590 CG ASP 61 -29.884 27.294 77.780 0.00 0.00 0.175 C +ATOM 591 OD1 ASP 61 -30.090 26.224 78.373 0.00 0.00 -0.648 OA +ATOM 592 OD2 ASP 61 -29.918 28.452 78.349 0.00 0.00 -0.648 OA +ATOM 593 N VAL 62 -31.471 24.399 76.097 0.00 0.00 -0.346 N +ATOM 594 HN VAL 62 -30.689 23.886 76.503 1.00 0.00 0.163 HD +ATOM 595 CA VAL 62 -32.789 23.795 76.152 0.00 0.00 0.180 C +ATOM 596 C VAL 62 -33.504 23.907 77.512 0.00 0.00 0.241 C +ATOM 597 O VAL 62 -34.710 23.684 77.605 0.00 0.00 -0.271 OA +ATOM 598 CB VAL 62 -32.664 22.319 75.732 0.00 0.00 0.009 C +ATOM 599 CG1 VAL 62 -34.043 21.689 75.525 0.00 0.00 0.012 C +ATOM 600 CG2 VAL 62 -31.803 22.178 74.475 0.00 0.00 0.012 C +ATOM 601 N SER 63 -32.767 24.294 78.548 0.00 0.00 -0.344 N +ATOM 602 HN SER 63 -31.782 24.512 78.399 1.00 0.00 0.163 HD +ATOM 603 CA SER 63 -33.322 24.418 79.895 0.00 0.00 0.200 C +ATOM 604 C SER 63 -34.392 25.503 80.034 0.00 0.00 0.243 C +ATOM 605 O SER 63 -34.217 26.612 79.554 0.00 0.00 -0.271 OA +ATOM 606 CB SER 63 -32.190 24.693 80.903 0.00 0.00 0.199 C +ATOM 607 OG SER 63 -31.607 25.979 80.712 0.00 0.00 -0.398 OA +ATOM 608 HOG SER 63 -30.917 26.104 81.353 0.00 0.00 0.209 HD +ATOM 609 N GLU 64 -35.471 25.182 80.739 0.00 0.00 -0.346 N +ATOM 610 HN GLU 64 -35.533 24.242 81.130 1.00 0.00 0.163 HD +ATOM 611 CA GLU 64 -36.576 26.113 80.983 0.00 0.00 0.177 C +ATOM 612 C GLU 64 -36.076 27.378 81.672 0.00 0.00 0.241 C +ATOM 613 O GLU 64 -36.529 28.498 81.416 0.00 0.00 -0.271 OA +ATOM 614 CB GLU 64 -37.602 25.437 81.911 0.00 0.00 0.045 C +ATOM 615 CG GLU 64 -38.481 26.478 82.608 0.00 0.00 0.116 C +ATOM 616 CD GLU 64 -39.277 25.846 83.751 0.00 0.00 0.172 C +ATOM 617 OE1 GLU 64 -38.741 25.008 84.492 0.00 0.00 -0.648 OA +ATOM 618 OE2 GLU 64 -40.496 26.255 83.858 0.00 0.00 -0.648 OA +ATOM 619 N ASN 65 -35.151 27.150 82.584 0.00 0.00 -0.346 N +ATOM 620 HN ASN 65 -34.840 26.188 82.721 1.00 0.00 0.163 HD +ATOM 621 CA ASN 65 -34.551 28.182 83.402 0.00 0.00 0.185 C +ATOM 622 C ASN 65 -33.387 28.946 82.752 0.00 0.00 0.241 C +ATOM 623 O ASN 65 -32.827 29.858 83.368 0.00 0.00 -0.271 OA +ATOM 624 CB ASN 65 -34.115 27.534 84.729 0.00 0.00 0.137 C +ATOM 625 CG ASN 65 -33.869 26.034 84.552 0.00 0.00 0.217 C +ATOM 626 OD1 ASN 65 -34.670 25.198 84.937 0.00 0.00 -0.274 OA +ATOM 627 ND2 ASN 65 -32.720 25.742 83.951 0.00 0.00 -0.370 N +ATOM 628 1HD2 ASN 65 -32.556 24.742 83.833 1.00 0.00 0.159 HD +ATOM 629 2HD2 ASN 65 -32.050 26.441 83.629 1.00 0.00 0.159 HD +ATOM 630 N ARG 66 -33.074 28.619 81.496 0.00 0.00 -0.346 N +ATOM 631 HN ARG 66 -33.628 27.902 81.027 1.00 0.00 0.163 HD +ATOM 632 CA ARG 66 -31.967 29.244 80.757 0.00 0.00 0.176 C +ATOM 633 C ARG 66 -30.624 29.179 81.507 0.00 0.00 0.241 C +ATOM 634 O ARG 66 -29.906 30.168 81.588 0.00 0.00 -0.271 OA +ATOM 635 CB ARG 66 -32.285 30.708 80.399 0.00 0.00 0.036 C +ATOM 636 CG ARG 66 -33.422 30.788 79.378 0.00 0.00 0.023 C +ATOM 637 CD ARG 66 -33.649 32.231 78.923 0.00 0.00 0.138 C +ATOM 638 NE ARG 66 -34.921 32.331 78.174 0.00 0.00 -0.227 N +ATOM 639 HE ARG 66 -35.371 31.465 77.877 1.00 0.00 0.177 HD +ATOM 640 CZ ARG 66 -35.524 33.498 77.859 0.00 0.00 0.665 C +ATOM 641 NH1 ARG 66 -34.952 34.648 78.238 0.00 0.00 -0.235 N +ATOM 642 1HH1 ARG 66 -34.074 34.643 78.757 1.00 0.00 0.174 HD +ATOM 643 2HH1 ARG 66 -35.407 35.529 78.000 1.00 0.00 0.174 HD +ATOM 644 NH2 ARG 66 -36.677 33.504 77.177 0.00 0.00 -0.235 N +ATOM 645 1HH2 ARG 66 -37.113 32.628 76.888 1.00 0.00 0.174 HD +ATOM 646 2HH2 ARG 66 -37.132 34.385 76.939 1.00 0.00 0.174 HD +ATOM 647 N ASP 67 -30.270 28.006 82.023 0.00 0.00 -0.346 N +ATOM 648 HN ASP 67 -30.883 27.200 81.902 1.00 0.00 0.163 HD +ATOM 649 CA ASP 67 -29.017 27.852 82.762 0.00 0.00 0.186 C +ATOM 650 C ASP 67 -28.300 26.528 82.530 0.00 0.00 0.241 C +ATOM 651 O ASP 67 -27.741 25.936 83.457 0.00 0.00 -0.271 OA +ATOM 652 CB ASP 67 -29.240 28.061 84.271 0.00 0.00 0.147 C +ATOM 653 CG ASP 67 -30.355 27.211 84.884 0.00 0.00 0.175 C +ATOM 654 OD1 ASP 67 -30.300 25.972 84.860 0.00 0.00 -0.648 OA +ATOM 655 OD2 ASP 67 -31.324 27.880 85.410 0.00 0.00 -0.648 OA +ATOM 656 N GLU 68 -28.350 26.052 81.294 0.00 0.00 -0.346 N +ATOM 657 HN GLU 68 -28.868 26.575 80.587 1.00 0.00 0.163 HD +ATOM 658 CA GLU 68 -27.694 24.812 80.907 0.00 0.00 0.177 C +ATOM 659 C GLU 68 -27.190 25.084 79.499 0.00 0.00 0.241 C +ATOM 660 O GLU 68 -27.811 24.686 78.512 0.00 0.00 -0.271 OA +ATOM 661 CB GLU 68 -28.690 23.638 80.924 0.00 0.00 0.045 C +ATOM 662 CG GLU 68 -29.195 23.368 82.343 0.00 0.00 0.116 C +ATOM 663 CD GLU 68 -30.185 22.201 82.360 0.00 0.00 0.172 C +ATOM 664 OE1 GLU 68 -30.473 21.617 81.305 0.00 0.00 -0.648 OA +ATOM 665 OE2 GLU 68 -30.660 21.906 83.522 0.00 0.00 -0.648 OA +ATOM 666 N ARG 69 -26.115 25.864 79.426 0.00 0.00 -0.346 N +ATOM 667 HN ARG 69 -25.702 26.206 80.294 1.00 0.00 0.163 HD +ATOM 668 CA ARG 69 -25.500 26.252 78.163 0.00 0.00 0.176 C +ATOM 669 C ARG 69 -24.633 25.149 77.536 0.00 0.00 0.241 C +ATOM 670 O ARG 69 -23.955 24.388 78.233 0.00 0.00 -0.271 OA +ATOM 671 CB ARG 69 -24.692 27.548 78.361 0.00 0.00 0.036 C +ATOM 672 CG ARG 69 -25.610 28.715 78.730 0.00 0.00 0.023 C +ATOM 673 CD ARG 69 -24.806 30.002 78.931 0.00 0.00 0.138 C +ATOM 674 NE ARG 69 -25.632 31.176 78.572 0.00 0.00 -0.227 N +ATOM 675 HE ARG 69 -26.646 31.082 78.627 1.00 0.00 0.177 HD +ATOM 676 CZ ARG 69 -25.128 32.364 78.176 0.00 0.00 0.665 C +ATOM 677 NH1 ARG 69 -23.798 32.510 78.095 0.00 0.00 -0.235 N +ATOM 678 1HH1 ARG 69 -23.177 31.736 78.330 1.00 0.00 0.174 HD +ATOM 679 2HH1 ARG 69 -23.417 33.408 77.796 1.00 0.00 0.174 HD +ATOM 680 NH2 ARG 69 -25.944 33.381 77.867 0.00 0.00 -0.235 N +ATOM 681 1HH2 ARG 69 -26.956 33.270 77.929 1.00 0.00 0.174 HD +ATOM 682 2HH2 ARG 69 -25.563 34.279 77.568 1.00 0.00 0.174 HD +ATOM 683 N LEU 70 -24.734 25.022 76.219 0.00 0.00 -0.346 N +ATOM 684 HN LEU 70 -25.371 25.639 75.715 1.00 0.00 0.163 HD +ATOM 685 CA LEU 70 -23.970 24.035 75.462 0.00 0.00 0.177 C +ATOM 686 C LEU 70 -23.327 24.803 74.315 0.00 0.00 0.241 C +ATOM 687 O LEU 70 -24.016 25.513 73.571 0.00 0.00 -0.271 OA +ATOM 688 CB LEU 70 -24.898 22.938 74.906 0.00 0.00 0.038 C +ATOM 689 CG LEU 70 -24.216 21.820 74.115 0.00 0.00 -0.020 C +ATOM 690 CD1 LEU 70 -23.362 20.943 75.033 0.00 0.00 0.009 C +ATOM 691 CD2 LEU 70 -25.241 21.001 73.330 0.00 0.00 0.009 C +ATOM 692 N VAL 71 -22.002 24.709 74.226 0.00 0.00 -0.346 N +ATOM 693 HN VAL 71 -21.504 24.143 74.912 1.00 0.00 0.163 HD +ATOM 694 CA VAL 71 -21.234 25.386 73.183 0.00 0.00 0.180 C +ATOM 695 C VAL 71 -20.555 24.345 72.289 0.00 0.00 0.241 C +ATOM 696 O VAL 71 -19.862 23.448 72.778 0.00 0.00 -0.271 OA +ATOM 697 CB VAL 71 -20.175 26.324 73.791 0.00 0.00 0.009 C +ATOM 698 CG1 VAL 71 -19.304 26.949 72.699 0.00 0.00 0.012 C +ATOM 699 CG2 VAL 71 -20.830 27.404 74.655 0.00 0.00 0.012 C +ATOM 700 N LEU 72 -20.797 24.443 70.988 0.00 0.00 -0.346 N +ATOM 701 HN LEU 72 -21.407 25.189 70.653 1.00 0.00 0.163 HD +ATOM 702 CA LEU 72 -20.219 23.519 70.024 0.00 0.00 0.177 C +ATOM 703 C LEU 72 -19.393 24.288 69.002 0.00 0.00 0.241 C +ATOM 704 O LEU 72 -19.945 24.942 68.097 0.00 0.00 -0.271 OA +ATOM 705 CB LEU 72 -21.305 22.727 69.272 0.00 0.00 0.038 C +ATOM 706 CG LEU 72 -22.192 21.824 70.131 0.00 0.00 -0.020 C +ATOM 707 CD1 LEU 72 -23.054 20.911 69.257 0.00 0.00 0.009 C +ATOM 708 CD2 LEU 72 -21.357 21.032 71.138 0.00 0.00 0.009 C +ATOM 709 N ILE 73 -18.074 24.239 69.191 0.00 0.00 -0.346 N +ATOM 710 HN ILE 73 -17.718 23.724 69.996 1.00 0.00 0.163 HD +ATOM 711 CA ILE 73 -17.115 24.887 68.301 0.00 0.00 0.180 C +ATOM 712 C ILE 73 -16.440 23.758 67.523 0.00 0.00 0.241 C +ATOM 713 O ILE 73 -16.048 22.734 68.085 0.00 0.00 -0.271 OA +ATOM 714 CB ILE 73 -16.117 25.757 69.087 0.00 0.00 0.013 C +ATOM 715 CG1 ILE 73 -16.754 27.084 69.504 0.00 0.00 0.002 C +ATOM 716 CG2 ILE 73 -14.826 25.965 68.292 0.00 0.00 0.012 C +ATOM 717 CD1 ILE 73 -15.766 27.942 70.296 0.00 0.00 0.005 C +ATOM 718 N ASN 74 -16.363 23.924 66.217 0.00 0.00 -0.346 N +ATOM 719 HN ASN 74 -16.710 24.790 65.804 1.00 0.00 0.163 HD +ATOM 720 CA ASN 74 -15.794 22.900 65.351 0.00 0.00 0.185 C +ATOM 721 C ASN 74 -16.402 21.535 65.657 0.00 0.00 0.243 C +ATOM 722 O ASN 74 -15.694 20.622 66.100 0.00 0.00 -0.271 OA +ATOM 723 CB ASN 74 -14.263 22.819 65.494 0.00 0.00 0.137 C +ATOM 724 CG ASN 74 -13.596 24.100 64.988 0.00 0.00 0.217 C +ATOM 725 OD1 ASN 74 -14.182 24.892 64.269 0.00 0.00 -0.274 OA +ATOM 726 ND2 ASN 74 -12.342 24.256 65.402 0.00 0.00 -0.370 N +ATOM 727 1HD2 ASN 74 -11.897 25.110 65.065 1.00 0.00 0.159 HD +ATOM 728 2HD2 ASN 74 -11.852 23.594 66.003 1.00 0.00 0.159 HD +ATOM 729 N PRO 75 -17.743 21.405 65.529 0.00 0.00 -0.337 N +ATOM 730 CA PRO 75 -18.369 20.103 65.801 0.00 0.00 0.179 C +ATOM 731 C PRO 75 -18.171 19.143 64.622 0.00 0.00 0.241 C +ATOM 732 O PRO 75 -18.089 19.548 63.475 0.00 0.00 -0.271 OA +ATOM 733 CB PRO 75 -19.771 20.383 66.160 0.00 0.00 0.037 C +ATOM 734 CG PRO 75 -20.064 21.776 65.626 0.00 0.00 0.022 C +ATOM 735 CD PRO 75 -18.736 22.432 65.283 0.00 0.00 0.127 C +ATOM 736 N GLU 76 -18.149 17.862 64.918 0.00 0.00 -0.346 N +ATOM 737 HN GLU 76 -18.283 17.581 65.889 1.00 0.00 0.163 HD +ATOM 738 CA GLU 76 -17.943 16.839 63.923 0.00 0.00 0.177 C +ATOM 739 C GLU 76 -18.879 15.709 64.287 0.00 0.00 0.241 C +ATOM 740 O GLU 76 -18.950 15.317 65.448 0.00 0.00 -0.271 OA +ATOM 741 CB GLU 76 -16.496 16.323 64.027 0.00 0.00 0.045 C +ATOM 742 CG GLU 76 -16.166 15.376 62.871 0.00 0.00 0.116 C +ATOM 743 CD GLU 76 -14.923 14.541 63.184 0.00 0.00 0.172 C +ATOM 744 OE1 GLU 76 -14.089 14.954 64.004 0.00 0.00 -0.648 OA +ATOM 745 OE2 GLU 76 -14.840 13.426 62.542 0.00 0.00 -0.648 OA +ATOM 746 N LEU 77 -19.622 15.205 63.309 0.00 0.00 -0.346 N +ATOM 747 HN LEU 77 -19.546 15.596 62.370 1.00 0.00 0.163 HD +ATOM 748 CA LEU 77 -20.547 14.099 63.553 0.00 0.00 0.177 C +ATOM 749 C LEU 77 -19.771 12.794 63.491 0.00 0.00 0.241 C +ATOM 750 O LEU 77 -19.162 12.492 62.475 0.00 0.00 -0.271 OA +ATOM 751 CB LEU 77 -21.663 14.076 62.492 0.00 0.00 0.038 C +ATOM 752 CG LEU 77 -22.646 12.907 62.578 0.00 0.00 -0.020 C +ATOM 753 CD1 LEU 77 -23.457 12.966 63.874 0.00 0.00 0.009 C +ATOM 754 CD2 LEU 77 -23.546 12.855 61.342 0.00 0.00 0.009 C +ATOM 755 N LEU 78 -19.771 12.028 64.575 0.00 0.00 -0.346 N +ATOM 756 HN LEU 78 -20.271 12.328 65.412 1.00 0.00 0.163 HD +ATOM 757 CA LEU 78 -19.056 10.759 64.569 0.00 0.00 0.177 C +ATOM 758 C LEU 78 -19.949 9.623 64.071 0.00 0.00 0.241 C +ATOM 759 O LEU 78 -19.504 8.776 63.304 0.00 0.00 -0.271 OA +ATOM 760 CB LEU 78 -18.489 10.434 65.964 0.00 0.00 0.038 C +ATOM 761 CG LEU 78 -17.677 11.545 66.633 0.00 0.00 -0.020 C +ATOM 762 CD1 LEU 78 -17.123 11.082 67.982 0.00 0.00 0.009 C +ATOM 763 CD2 LEU 78 -16.572 12.052 65.703 0.00 0.00 0.009 C +ATOM 764 N GLU 79 -21.207 9.608 64.512 0.00 0.00 -0.346 N +ATOM 765 HN GLU 79 -21.513 10.339 65.154 1.00 0.00 0.163 HD +ATOM 766 CA GLU 79 -22.164 8.579 64.107 0.00 0.00 0.177 C +ATOM 767 C GLU 79 -23.598 9.074 64.262 0.00 0.00 0.241 C +ATOM 768 O GLU 79 -23.833 10.086 64.915 0.00 0.00 -0.271 OA +ATOM 769 CB GLU 79 -21.956 7.293 64.928 0.00 0.00 0.045 C +ATOM 770 CG GLU 79 -21.633 7.620 66.387 0.00 0.00 0.116 C +ATOM 771 CD GLU 79 -21.078 6.393 67.114 0.00 0.00 0.172 C +ATOM 772 OE1 GLU 79 -21.666 5.943 68.108 0.00 0.00 -0.648 OA +ATOM 773 OE2 GLU 79 -19.996 5.904 66.610 0.00 0.00 -0.648 OA +ATOM 774 N LYS 80 -24.536 8.382 63.621 0.00 0.00 -0.346 N +ATOM 775 HN LYS 80 -24.252 7.572 63.070 1.00 0.00 0.163 HD +ATOM 776 CA LYS 80 -25.958 8.729 63.670 0.00 0.00 0.176 C +ATOM 777 C LYS 80 -26.799 7.479 63.437 0.00 0.00 0.241 C +ATOM 778 O LYS 80 -26.318 6.516 62.842 0.00 0.00 -0.271 OA +ATOM 779 CB LYS 80 -26.311 9.791 62.612 0.00 0.00 0.035 C +ATOM 780 CG LYS 80 -26.094 9.249 61.198 0.00 0.00 0.004 C +ATOM 781 CD LYS 80 -26.362 10.331 60.149 0.00 0.00 0.027 C +ATOM 782 CE LYS 80 -26.673 9.708 58.787 0.00 0.00 0.229 C +ATOM 783 NZ LYS 80 -27.052 10.750 57.818 0.00 0.00 -0.079 N +ATOM 784 HZ1 LYS 80 -27.259 10.335 56.910 1.00 0.00 0.274 HD +ATOM 785 HZ2 LYS 80 -26.342 11.479 57.748 1.00 0.00 0.274 HD +ATOM 786 HZ3 LYS 80 -27.825 11.322 58.159 1.00 0.00 0.274 HD +ATOM 787 N SER 81 -28.043 7.484 63.920 0.00 0.00 -0.344 N +ATOM 788 HN SER 81 -28.379 8.302 64.428 1.00 0.00 0.163 HD +ATOM 789 CA SER 81 -28.935 6.336 63.734 0.00 0.00 0.200 C +ATOM 790 C SER 81 -30.416 6.700 63.833 0.00 0.00 0.242 C +ATOM 791 O SER 81 -30.784 7.646 64.537 0.00 0.00 -0.271 OA +ATOM 792 CB SER 81 -28.602 5.209 64.729 0.00 0.00 0.199 C +ATOM 793 OG SER 81 -28.818 5.608 66.080 0.00 0.00 -0.398 OA +ATOM 794 HOG SER 81 -28.601 4.883 66.655 0.00 0.00 0.209 HD +ATOM 795 N GLY 82 -31.244 5.936 63.119 0.00 0.00 -0.350 N +ATOM 796 HN GLY 82 -30.849 5.178 62.562 1.00 0.00 0.163 HD +ATOM 797 CA GLY 82 -32.697 6.136 63.098 0.00 0.00 0.225 C +ATOM 798 C GLY 82 -33.269 7.383 62.423 0.00 0.00 0.236 C +ATOM 799 O GLY 82 -32.528 8.223 61.892 0.00 0.00 -0.272 OA +ATOM 800 N GLU 83 -34.603 7.469 62.365 0.00 0.00 -0.346 N +ATOM 801 HN GLU 83 -35.167 6.699 62.726 1.00 0.00 0.163 HD +ATOM 802 CA GLU 83 -35.280 8.649 61.792 0.00 0.00 0.177 C +ATOM 803 C GLU 83 -36.300 9.160 62.806 0.00 0.00 0.241 C +ATOM 804 O GLU 83 -36.808 8.397 63.635 0.00 0.00 -0.271 OA +ATOM 805 CB GLU 83 -36.014 8.376 60.466 0.00 0.00 0.045 C +ATOM 806 CG GLU 83 -35.522 7.077 59.824 0.00 0.00 0.116 C +ATOM 807 CD GLU 83 -35.955 5.862 60.646 0.00 0.00 0.172 C +ATOM 808 OE1 GLU 83 -37.142 5.731 60.982 0.00 0.00 -0.648 OA +ATOM 809 OE2 GLU 83 -35.010 5.033 60.935 0.00 0.00 -0.648 OA +ATOM 810 N THR 84 -36.634 10.436 62.699 0.00 0.00 -0.344 N +ATOM 811 HN THR 84 -36.229 10.993 61.947 1.00 0.00 0.163 HD +ATOM 812 CA THR 84 -37.554 11.061 63.616 0.00 0.00 0.205 C +ATOM 813 C THR 84 -37.892 12.387 62.992 0.00 0.00 0.243 C +ATOM 814 O THR 84 -37.460 12.660 61.871 0.00 0.00 -0.271 OA +ATOM 815 CB THR 84 -36.910 11.254 65.001 0.00 0.00 0.146 C +ATOM 816 OG1 THR 84 -37.998 11.631 65.841 0.00 0.00 -0.393 OA +ATOM 817 CG2 THR 84 -35.970 12.461 65.047 0.00 0.00 0.042 C +ATOM 818 HOG THR 84 -37.674 11.769 66.723 0.00 0.00 0.210 HD +ATOM 819 N GLY 85 -38.661 13.203 63.704 0.00 0.00 -0.350 N +ATOM 820 HN GLY 85 -38.975 12.922 64.633 1.00 0.00 0.163 HD +ATOM 821 CA GLY 85 -39.055 14.486 63.171 0.00 0.00 0.225 C +ATOM 822 C GLY 85 -40.122 15.183 63.989 0.00 0.00 0.236 C +ATOM 823 O GLY 85 -41.127 14.572 64.410 0.00 0.00 -0.272 OA +ATOM 824 N ILE 86 -39.883 16.462 64.250 0.00 0.00 -0.346 N +ATOM 825 HN ILE 86 -39.008 16.877 63.929 1.00 0.00 0.163 HD +ATOM 826 CA ILE 86 -40.832 17.292 64.982 0.00 0.00 0.180 C +ATOM 827 C ILE 86 -41.052 18.502 64.094 0.00 0.00 0.241 C +ATOM 828 O ILE 86 -40.422 18.608 63.024 0.00 0.00 -0.271 OA +ATOM 829 CB ILE 86 -40.311 17.728 66.364 0.00 0.00 0.013 C +ATOM 830 CG1 ILE 86 -39.010 18.523 66.234 0.00 0.00 0.002 C +ATOM 831 CG2 ILE 86 -40.158 16.525 67.297 0.00 0.00 0.012 C +ATOM 832 CD1 ILE 86 -38.500 18.967 67.607 0.00 0.00 0.005 C +ATOM 833 N GLU 87 -41.997 19.362 64.463 0.00 0.00 -0.346 N +ATOM 834 HN GLU 87 -42.543 19.183 65.306 1.00 0.00 0.163 HD +ATOM 835 CA GLU 87 -42.259 20.563 63.669 0.00 0.00 0.177 C +ATOM 836 C GLU 87 -41.224 21.557 64.144 0.00 0.00 0.241 C +ATOM 837 O GLU 87 -41.158 21.846 65.332 0.00 0.00 -0.271 OA +ATOM 838 CB GLU 87 -43.685 21.105 63.880 0.00 0.00 0.045 C +ATOM 839 CG GLU 87 -44.725 20.168 63.260 0.00 0.00 0.116 C +ATOM 840 CD GLU 87 -46.103 20.831 63.217 0.00 0.00 0.172 C +ATOM 841 OE1 GLU 87 -46.206 22.058 63.365 0.00 0.00 -0.648 OA +ATOM 842 OE2 GLU 87 -47.090 20.024 63.021 0.00 0.00 -0.648 OA +ATOM 843 N GLU 88 -40.358 21.990 63.232 0.00 0.00 -0.346 N +ATOM 844 HN GLU 88 -40.457 21.668 62.269 1.00 0.00 0.163 HD +ATOM 845 CA GLU 88 -39.270 22.909 63.557 0.00 0.00 0.177 C +ATOM 846 C GLU 88 -39.521 24.262 62.975 0.00 0.00 0.240 C +ATOM 847 O GLU 88 -40.094 24.395 61.898 0.00 0.00 -0.271 OA +ATOM 848 CB GLU 88 -37.934 22.424 62.964 0.00 0.00 0.045 C +ATOM 849 CG GLU 88 -37.593 21.017 63.458 0.00 0.00 0.116 C +ATOM 850 CD GLU 88 -36.268 20.534 62.865 0.00 0.00 0.172 C +ATOM 851 OE1 GLU 88 -35.450 21.354 62.424 0.00 0.00 -0.648 OA +ATOM 852 OE2 GLU 88 -36.102 19.254 62.873 0.00 0.00 -0.648 OA +ATOM 853 N GLY 89 -39.110 25.271 63.713 0.00 0.00 -0.351 N +ATOM 854 HN GLY 89 -38.707 25.098 64.634 1.00 0.00 0.163 HD +ATOM 855 CA GLY 89 -39.229 26.621 63.222 0.00 0.00 0.225 C +ATOM 856 C GLY 89 -37.794 27.111 63.214 0.00 0.00 0.236 C +ATOM 857 O GLY 89 -36.928 26.541 63.898 0.00 0.00 -0.272 OA +ATOM 858 N CYM 90 -37.526 28.158 62.455 0.00 0.00 -0.346 N +ATOM 859 HN CYM 90 -38.273 28.590 61.910 1.00 0.00 0.163 HD +ATOM 860 CA CYM 90 -36.179 28.703 62.386 0.00 0.00 0.186 C +ATOM 861 C CYM 90 -36.254 30.222 62.482 0.00 0.00 0.241 C +ATOM 862 O CYM 90 -37.153 30.835 61.900 0.00 0.00 -0.271 OA +ATOM 863 CB CYM 90 -35.505 28.265 61.073 0.00 0.00 0.120 C +ATOM 864 SG CYM 90 -33.933 29.100 60.707 0.00 0.00 -0.095 SA +ATOM 865 N LEU 91 -35.341 30.826 63.242 0.00 0.00 -0.346 N +ATOM 866 HN LEU 91 -34.648 30.264 63.736 1.00 0.00 0.163 HD +ATOM 867 CA LEU 91 -35.317 32.287 63.380 0.00 0.00 0.177 C +ATOM 868 C LEU 91 -35.084 32.953 62.006 0.00 0.00 0.241 C +ATOM 869 O LEU 91 -35.606 34.032 61.728 0.00 0.00 -0.271 OA +ATOM 870 CB LEU 91 -34.261 32.719 64.414 0.00 0.00 0.038 C +ATOM 871 CG LEU 91 -34.478 32.220 65.844 0.00 0.00 -0.020 C +ATOM 872 CD1 LEU 91 -33.250 32.495 66.713 0.00 0.00 0.009 C +ATOM 873 CD2 LEU 91 -35.752 32.816 66.446 0.00 0.00 0.009 C +ATOM 874 N SER 92 -34.364 32.270 61.119 0.00 0.00 -0.344 N +ATOM 875 HN SER 92 -33.995 31.355 61.377 1.00 0.00 0.163 HD +ATOM 876 CA SER 92 -34.087 32.801 59.779 0.00 0.00 0.200 C +ATOM 877 C SER 92 -35.284 32.674 58.816 0.00 0.00 0.243 C +ATOM 878 O SER 92 -35.308 33.292 57.746 0.00 0.00 -0.271 OA +ATOM 879 CB SER 92 -32.826 32.130 59.205 0.00 0.00 0.199 C +ATOM 880 OG SER 92 -31.686 32.336 60.035 0.00 0.00 -0.398 OA +ATOM 881 HOG SER 92 -30.935 31.906 59.643 0.00 0.00 0.209 HD +ATOM 882 N ILE 93 -36.274 31.867 59.195 0.00 0.00 -0.346 N +ATOM 883 HN ILE 93 -36.181 31.355 60.072 1.00 0.00 0.163 HD +ATOM 884 CA ILE 93 -37.492 31.686 58.400 0.00 0.00 0.181 C +ATOM 885 C ILE 93 -38.566 32.129 59.418 0.00 0.00 0.247 C +ATOM 886 O ILE 93 -39.492 31.370 59.746 0.00 0.00 -0.271 OA +ATOM 887 CB ILE 93 -37.635 30.217 57.960 0.00 0.00 0.013 C +ATOM 888 CG1 ILE 93 -36.395 29.752 57.193 0.00 0.00 0.002 C +ATOM 889 CG2 ILE 93 -38.919 30.008 57.155 0.00 0.00 0.012 C +ATOM 890 CD1 ILE 93 -36.475 28.256 56.878 0.00 0.00 0.005 C +ATOM 891 N PRO 94 -38.499 33.422 59.821 0.00 0.00 -0.311 N +ATOM 892 CA PRO 94 -39.276 34.225 60.766 0.00 0.00 0.101 C +ATOM 893 C PRO 94 -40.304 33.549 61.670 0.00 0.00 0.268 C +ATOM 894 O PRO 94 -40.077 33.409 62.875 0.00 0.00 -0.266 OA +ATOM 895 CB PRO 94 -39.058 35.585 60.572 0.00 0.00 0.010 C +ATOM 896 CG PRO 94 -38.540 35.674 59.145 0.00 0.00 0.050 C +ATOM 897 CD PRO 94 -38.132 34.277 58.709 0.00 0.00 0.136 C +ATOM 898 N GLU 95 -41.425 33.126 61.092 0.00 0.00 -0.342 N +ATOM 899 HN GLU 95 -41.526 33.233 60.083 1.00 0.00 0.163 HD +ATOM 900 CA GLU 95 -42.517 32.515 61.844 0.00 0.00 0.177 C +ATOM 901 C GLU 95 -43.183 31.362 61.091 0.00 0.00 0.241 C +ATOM 902 O GLU 95 -44.405 31.346 60.909 0.00 0.00 -0.271 OA +ATOM 903 CB GLU 95 -43.570 33.595 62.152 0.00 0.00 0.045 C +ATOM 904 CG GLU 95 -42.946 34.770 62.908 0.00 0.00 0.116 C +ATOM 905 CD GLU 95 -43.884 35.979 62.914 0.00 0.00 0.172 C +ATOM 906 OE1 GLU 95 -44.156 36.558 61.852 0.00 0.00 -0.648 OA +ATOM 907 OE2 GLU 95 -44.338 36.311 64.074 0.00 0.00 -0.648 OA +ATOM 908 N GLN 96 -42.396 30.375 60.691 0.00 0.00 -0.346 N +ATOM 909 HN GLN 96 -41.398 30.410 60.901 1.00 0.00 0.163 HD +ATOM 910 CA GLN 96 -42.934 29.244 59.958 0.00 0.00 0.177 C +ATOM 911 C GLN 96 -42.446 27.975 60.640 0.00 0.00 0.241 C +ATOM 912 O GLN 96 -41.394 27.982 61.280 0.00 0.00 -0.271 OA +ATOM 913 CB GLN 96 -42.470 29.306 58.491 0.00 0.00 0.044 C +ATOM 914 CG GLN 96 -43.659 29.500 57.548 0.00 0.00 0.105 C +ATOM 915 CD GLN 96 -44.346 30.844 57.801 0.00 0.00 0.215 C +ATOM 916 OE1 GLN 96 -43.720 31.889 57.864 0.00 0.00 -0.274 OA +ATOM 917 NE2 GLN 96 -45.666 30.758 57.943 0.00 0.00 -0.370 N +ATOM 918 1HE2 GLN 96 -46.189 29.884 57.890 1.00 0.00 0.159 HD +ATOM 919 2HE2 GLN 96 -46.124 31.654 58.112 1.00 0.00 0.159 HD +ATOM 920 N ARG 97 -43.231 26.906 60.542 0.00 0.00 -0.346 N +ATOM 921 HN ARG 97 -44.107 26.984 60.026 1.00 0.00 0.163 HD +ATOM 922 CA ARG 97 -42.881 25.625 61.148 0.00 0.00 0.176 C +ATOM 923 C ARG 97 -43.214 24.483 60.227 0.00 0.00 0.241 C +ATOM 924 O ARG 97 -44.212 24.536 59.497 0.00 0.00 -0.271 OA +ATOM 925 CB ARG 97 -43.607 25.410 62.489 0.00 0.00 0.036 C +ATOM 926 CG ARG 97 -43.169 26.450 63.522 0.00 0.00 0.023 C +ATOM 927 CD ARG 97 -43.399 25.939 64.946 0.00 0.00 0.138 C +ATOM 928 NE ARG 97 -43.079 27.003 65.924 0.00 0.00 -0.227 N +ATOM 929 HE ARG 97 -42.498 27.781 65.611 1.00 0.00 0.177 HD +ATOM 930 CZ ARG 97 -43.508 27.009 67.204 0.00 0.00 0.665 C +ATOM 931 NH1 ARG 97 -44.273 25.998 67.637 0.00 0.00 -0.235 N +ATOM 932 1HH1 ARG 97 -44.527 25.235 67.010 1.00 0.00 0.174 HD +ATOM 933 2HH1 ARG 97 -44.597 26.003 68.604 1.00 0.00 0.174 HD +ATOM 934 NH2 ARG 97 -43.174 28.011 68.028 0.00 0.00 -0.235 N +ATOM 935 1HH2 ARG 97 -42.592 28.781 67.698 1.00 0.00 0.174 HD +ATOM 936 2HH2 ARG 97 -43.498 28.016 68.995 1.00 0.00 0.174 HD +ATOM 937 N ALA 98 -42.402 23.435 60.272 0.00 0.00 -0.346 N +ATOM 938 HN ALA 98 -41.603 23.446 60.907 1.00 0.00 0.163 HD +ATOM 939 CA ALA 98 -42.630 22.278 59.437 0.00 0.00 0.172 C +ATOM 940 C ALA 98 -41.893 21.067 59.982 0.00 0.00 0.240 C +ATOM 941 O ALA 98 -40.886 21.207 60.689 0.00 0.00 -0.271 OA +ATOM 942 CB ALA 98 -42.188 22.575 57.992 0.00 0.00 0.042 C +ATOM 943 N LEU 99 -42.435 19.885 59.697 0.00 0.00 -0.346 N +ATOM 944 HN LEU 99 -43.294 19.873 59.147 1.00 0.00 0.163 HD +ATOM 945 CA LEU 99 -41.878 18.610 60.121 0.00 0.00 0.177 C +ATOM 946 C LEU 99 -40.717 18.344 59.175 0.00 0.00 0.241 C +ATOM 947 O LEU 99 -40.891 18.395 57.963 0.00 0.00 -0.271 OA +ATOM 948 CB LEU 99 -42.926 17.497 59.931 0.00 0.00 0.038 C +ATOM 949 CG LEU 99 -42.862 16.339 60.928 0.00 0.00 -0.020 C +ATOM 950 CD1 LEU 99 -43.147 15.004 60.236 0.00 0.00 0.009 C +ATOM 951 CD2 LEU 99 -41.525 16.326 61.670 0.00 0.00 0.009 C +ATOM 952 N VAL 100 -39.549 18.026 59.736 0.00 0.00 -0.346 N +ATOM 953 HN VAL 100 -39.490 17.970 60.753 1.00 0.00 0.163 HD +ATOM 954 CA VAL 100 -38.353 17.755 58.944 0.00 0.00 0.180 C +ATOM 955 C VAL 100 -37.760 16.428 59.371 0.00 0.00 0.243 C +ATOM 956 O VAL 100 -37.695 16.142 60.560 0.00 0.00 -0.271 OA +ATOM 957 CB VAL 100 -37.312 18.872 59.145 0.00 0.00 0.009 C +ATOM 958 CG1 VAL 100 -36.043 18.590 58.338 0.00 0.00 0.012 C +ATOM 959 CG2 VAL 100 -37.898 20.239 58.785 0.00 0.00 0.012 C +ATOM 960 N PRO 101 -37.434 15.547 58.409 0.00 0.00 -0.337 N +ATOM 961 CA PRO 101 -36.844 14.260 58.780 0.00 0.00 0.179 C +ATOM 962 C PRO 101 -35.403 14.461 59.303 0.00 0.00 0.241 C +ATOM 963 O PRO 101 -34.619 15.237 58.723 0.00 0.00 -0.271 OA +ATOM 964 CB PRO 101 -37.083 13.338 57.667 0.00 0.00 0.037 C +ATOM 965 CG PRO 101 -37.374 14.223 56.466 0.00 0.00 0.022 C +ATOM 966 CD PRO 101 -37.655 15.626 56.978 0.00 0.00 0.127 C +ATOM 967 N ARG 102 -35.100 13.823 60.435 0.00 0.00 -0.346 N +ATOM 968 HN ARG 102 -35.807 13.229 60.867 1.00 0.00 0.163 HD +ATOM 969 CA ARG 102 -33.802 13.942 61.076 0.00 0.00 0.176 C +ATOM 970 C ARG 102 -33.393 12.604 61.629 0.00 0.00 0.241 C +ATOM 971 O ARG 102 -34.229 11.717 61.796 0.00 0.00 -0.271 OA +ATOM 972 CB ARG 102 -33.856 14.962 62.228 0.00 0.00 0.036 C +ATOM 973 CG ARG 102 -34.668 16.196 61.830 0.00 0.00 0.023 C +ATOM 974 CD ARG 102 -33.841 17.473 61.992 0.00 0.00 0.138 C +ATOM 975 NE ARG 102 -32.844 17.572 60.902 0.00 0.00 -0.227 N +ATOM 976 HE ARG 102 -32.429 16.708 60.554 1.00 0.00 0.177 HD +ATOM 977 CZ ARG 102 -32.450 18.735 60.340 0.00 0.00 0.665 C +ATOM 978 NH1 ARG 102 -32.981 19.883 60.782 0.00 0.00 -0.235 N +ATOM 979 1HH1 ARG 102 -33.673 19.879 61.531 1.00 0.00 0.174 HD +ATOM 980 2HH1 ARG 102 -32.683 20.761 60.358 1.00 0.00 0.174 HD +ATOM 981 NH2 ARG 102 -31.541 18.740 59.356 0.00 0.00 -0.235 N +ATOM 982 1HH2 ARG 102 -31.137 17.866 59.020 1.00 0.00 0.174 HD +ATOM 983 2HH2 ARG 102 -31.243 19.618 58.932 1.00 0.00 0.174 HD +ATOM 984 N ALA 103 -32.092 12.426 61.855 0.00 0.00 -0.346 N +ATOM 985 HN ALA 103 -31.434 13.168 61.616 1.00 0.00 0.163 HD +ATOM 986 CA ALA 103 -31.597 11.185 62.439 0.00 0.00 0.172 C +ATOM 987 C ALA 103 -32.077 11.258 63.881 0.00 0.00 0.240 C +ATOM 988 O ALA 103 -32.113 12.352 64.478 0.00 0.00 -0.271 OA +ATOM 989 CB ALA 103 -30.060 11.121 62.377 0.00 0.00 0.042 C +ATOM 990 N GLU 104 -32.451 10.110 64.437 0.00 0.00 -0.346 N +ATOM 991 HN GLU 104 -32.391 9.251 63.891 1.00 0.00 0.163 HD +ATOM 992 CA GLU 104 -32.948 10.046 65.816 0.00 0.00 0.177 C +ATOM 993 C GLU 104 -31.855 10.229 66.870 0.00 0.00 0.241 C +ATOM 994 O GLU 104 -32.040 10.956 67.856 0.00 0.00 -0.271 OA +ATOM 995 CB GLU 104 -33.707 8.730 66.069 0.00 0.00 0.045 C +ATOM 996 CG GLU 104 -34.356 8.729 67.455 0.00 0.00 0.116 C +ATOM 997 CD GLU 104 -34.766 7.314 67.867 0.00 0.00 0.172 C +ATOM 998 OE1 GLU 104 -34.536 6.357 67.113 0.00 0.00 -0.648 OA +ATOM 999 OE2 GLU 104 -35.342 7.227 69.018 0.00 0.00 -0.648 OA +ATOM 1000 N LYS 105 -30.720 9.569 66.656 0.00 0.00 -0.346 N +ATOM 1001 HN LYS 105 -30.642 8.984 65.824 1.00 0.00 0.163 HD +ATOM 1002 CA LYS 105 -29.574 9.651 67.573 0.00 0.00 0.176 C +ATOM 1003 C LYS 105 -28.291 10.106 66.872 0.00 0.00 0.241 C +ATOM 1004 O LYS 105 -28.041 9.719 65.735 0.00 0.00 -0.271 OA +ATOM 1005 CB LYS 105 -29.302 8.278 68.214 0.00 0.00 0.035 C +ATOM 1006 CG LYS 105 -30.468 7.848 69.107 0.00 0.00 0.004 C +ATOM 1007 CD LYS 105 -30.161 6.525 69.810 0.00 0.00 0.027 C +ATOM 1008 CE LYS 105 -31.329 6.094 70.700 0.00 0.00 0.229 C +ATOM 1009 NZ LYS 105 -31.152 4.702 71.145 0.00 0.00 -0.079 N +ATOM 1010 HZ1 LYS 105 -31.930 4.415 71.738 1.00 0.00 0.274 HD +ATOM 1011 HZ2 LYS 105 -30.253 4.563 71.606 1.00 0.00 0.274 HD +ATOM 1012 HZ3 LYS 105 -31.020 4.066 70.358 1.00 0.00 0.274 HD +ATOM 1013 N VAL 106 -27.497 10.930 67.555 0.00 0.00 -0.346 N +ATOM 1014 HN VAL 106 -27.793 11.249 68.477 1.00 0.00 0.163 HD +ATOM 1015 CA VAL 106 -26.203 11.395 67.019 0.00 0.00 0.180 C +ATOM 1016 C VAL 106 -25.087 11.444 68.068 0.00 0.00 0.241 C +ATOM 1017 O VAL 106 -25.337 11.718 69.246 0.00 0.00 -0.271 OA +ATOM 1018 CB VAL 106 -26.268 12.789 66.368 0.00 0.00 0.009 C +ATOM 1019 CG1 VAL 106 -27.124 12.763 65.100 0.00 0.00 0.012 C +ATOM 1020 CG2 VAL 106 -26.787 13.833 67.359 0.00 0.00 0.012 C +ATOM 1021 N LYS 107 -23.867 11.126 67.631 0.00 0.00 -0.346 N +ATOM 1022 HN LYS 107 -23.753 10.818 66.665 1.00 0.00 0.163 HD +ATOM 1023 CA LYS 107 -22.682 11.206 68.498 0.00 0.00 0.176 C +ATOM 1024 C LYS 107 -21.741 12.213 67.856 0.00 0.00 0.241 C +ATOM 1025 O LYS 107 -21.385 12.064 66.694 0.00 0.00 -0.271 OA +ATOM 1026 CB LYS 107 -21.941 9.862 68.629 0.00 0.00 0.035 C +ATOM 1027 CG LYS 107 -20.771 9.974 69.607 0.00 0.00 0.004 C +ATOM 1028 CD LYS 107 -19.937 8.691 69.615 0.00 0.00 0.027 C +ATOM 1029 CE LYS 107 -18.729 8.828 70.543 0.00 0.00 0.229 C +ATOM 1030 NZ LYS 107 -17.878 7.629 70.462 0.00 0.00 -0.079 N +ATOM 1031 HZ1 LYS 107 -17.072 7.720 71.081 1.00 0.00 0.274 HD +ATOM 1032 HZ2 LYS 107 -17.598 7.427 69.502 1.00 0.00 0.274 HD +ATOM 1033 HZ3 LYS 107 -18.405 6.776 70.649 1.00 0.00 0.274 HD +ATOM 1034 N ILE 108 -21.415 13.283 68.564 0.00 0.00 -0.346 N +ATOM 1035 HN ILE 108 -21.803 13.415 69.498 1.00 0.00 0.163 HD +ATOM 1036 CA ILE 108 -20.503 14.269 68.007 0.00 0.00 0.180 C +ATOM 1037 C ILE 108 -19.263 14.490 68.892 0.00 0.00 0.241 C +ATOM 1038 O ILE 108 -19.168 14.014 70.020 0.00 0.00 -0.271 OA +ATOM 1039 CB ILE 108 -21.170 15.632 67.747 0.00 0.00 0.013 C +ATOM 1040 CG1 ILE 108 -21.575 16.304 69.061 0.00 0.00 0.002 C +ATOM 1041 CG2 ILE 108 -22.354 15.490 66.788 0.00 0.00 0.012 C +ATOM 1042 CD1 ILE 108 -21.693 17.820 68.889 0.00 0.00 0.005 C +ATOM 1043 N ARG 109 -18.328 15.242 68.350 0.00 0.00 -0.346 N +ATOM 1044 HN ARG 109 -18.472 15.591 67.402 1.00 0.00 0.163 HD +ATOM 1045 CA ARG 109 -17.108 15.595 69.036 0.00 0.00 0.176 C +ATOM 1046 C ARG 109 -17.050 17.092 68.786 0.00 0.00 0.241 C +ATOM 1047 O ARG 109 -17.470 17.544 67.718 0.00 0.00 -0.271 OA +ATOM 1048 CB ARG 109 -15.928 14.894 68.337 0.00 0.00 0.036 C +ATOM 1049 CG ARG 109 -14.590 15.428 68.852 0.00 0.00 0.023 C +ATOM 1050 CD ARG 109 -13.449 15.058 67.902 0.00 0.00 0.138 C +ATOM 1051 NE ARG 109 -13.306 13.587 67.833 0.00 0.00 -0.227 N +ATOM 1052 HE ARG 109 -13.808 13.025 68.521 1.00 0.00 0.177 HD +ATOM 1053 CZ ARG 109 -12.553 12.942 66.917 0.00 0.00 0.665 C +ATOM 1054 NH1 ARG 109 -11.884 13.660 66.004 0.00 0.00 -0.235 N +ATOM 1055 1HH1 ARG 109 -11.943 14.678 66.002 1.00 0.00 0.174 HD +ATOM 1056 2HH1 ARG 109 -11.315 13.173 65.312 1.00 0.00 0.174 HD +ATOM 1057 NH2 ARG 109 -12.475 11.604 66.920 0.00 0.00 -0.235 N +ATOM 1058 1HH2 ARG 109 -12.984 11.058 67.615 1.00 0.00 0.174 HD +ATOM 1059 2HH2 ARG 109 -11.906 11.117 66.228 1.00 0.00 0.174 HD +ATOM 1060 N ALA 110 -16.618 17.866 69.779 0.00 0.00 -0.346 N +ATOM 1061 HN ALA 110 -16.366 17.443 70.672 1.00 0.00 0.163 HD +ATOM 1062 CA ALA 110 -16.499 19.312 69.609 0.00 0.00 0.172 C +ATOM 1063 C ALA 110 -15.543 19.946 70.631 0.00 0.00 0.240 C +ATOM 1064 O ALA 110 -14.977 19.257 71.477 0.00 0.00 -0.271 OA +ATOM 1065 CB ALA 110 -17.887 19.973 69.697 0.00 0.00 0.042 C +ATOM 1066 N LEU 111 -15.323 21.249 70.509 0.00 0.00 -0.346 N +ATOM 1067 HN LEU 111 -15.753 21.753 69.734 1.00 0.00 0.163 HD +ATOM 1068 CA LEU 111 -14.483 21.983 71.452 0.00 0.00 0.177 C +ATOM 1069 C LEU 111 -15.455 22.842 72.253 0.00 0.00 0.241 C +ATOM 1070 O LEU 111 -16.381 23.408 71.673 0.00 0.00 -0.271 OA +ATOM 1071 CB LEU 111 -13.497 22.905 70.710 0.00 0.00 0.038 C +ATOM 1072 CG LEU 111 -12.668 22.249 69.604 0.00 0.00 -0.020 C +ATOM 1073 CD1 LEU 111 -11.675 23.244 69.001 0.00 0.00 0.009 C +ATOM 1074 CD2 LEU 111 -11.975 20.985 70.115 0.00 0.00 0.009 C +ATOM 1075 N ASP 112 -15.276 22.933 73.570 0.00 0.00 -0.346 N +ATOM 1076 HN ASP 112 -14.507 22.434 74.017 1.00 0.00 0.163 HD +ATOM 1077 CA ASP 112 -16.183 23.748 74.372 0.00 0.00 0.186 C +ATOM 1078 C ASP 112 -15.778 25.219 74.360 0.00 0.00 0.241 C +ATOM 1079 O ASP 112 -14.918 25.625 73.580 0.00 0.00 -0.271 OA +ATOM 1080 CB ASP 112 -16.357 23.195 75.799 0.00 0.00 0.147 C +ATOM 1081 CG ASP 112 -15.073 23.124 76.626 0.00 0.00 0.175 C +ATOM 1082 OD1 ASP 112 -14.187 23.984 76.506 0.00 0.00 -0.648 OA +ATOM 1083 OD2 ASP 112 -14.998 22.120 77.432 0.00 0.00 -0.648 OA +ATOM 1084 N ARG 113 -16.382 26.011 75.235 0.00 0.00 -0.346 N +ATOM 1085 HN ARG 113 -17.061 25.612 75.883 1.00 0.00 0.163 HD +ATOM 1086 CA ARG 113 -16.098 27.439 75.292 0.00 0.00 0.176 C +ATOM 1087 C ARG 113 -14.640 27.746 75.608 0.00 0.00 0.241 C +ATOM 1088 O ARG 113 -14.133 28.800 75.231 0.00 0.00 -0.271 OA +ATOM 1089 CB ARG 113 -17.015 28.132 76.317 0.00 0.00 0.036 C +ATOM 1090 CG ARG 113 -16.929 29.654 76.187 0.00 0.00 0.023 C +ATOM 1091 CD ARG 113 -17.954 30.340 77.094 0.00 0.00 0.138 C +ATOM 1092 NE ARG 113 -18.026 31.783 76.775 0.00 0.00 -0.227 N +ATOM 1093 HE ARG 113 -18.763 32.097 76.143 1.00 0.00 0.177 HD +ATOM 1094 CZ ARG 113 -17.178 32.711 77.268 0.00 0.00 0.665 C +ATOM 1095 NH1 ARG 113 -16.202 32.323 78.100 0.00 0.00 -0.235 N +ATOM 1096 1HH1 ARG 113 -15.561 33.024 78.472 1.00 0.00 0.174 HD +ATOM 1097 2HH1 ARG 113 -16.102 31.341 78.357 1.00 0.00 0.174 HD +ATOM 1098 NH2 ARG 113 -17.310 34.001 76.930 0.00 0.00 -0.235 N +ATOM 1099 1HH2 ARG 113 -16.669 34.702 77.302 1.00 0.00 0.174 HD +ATOM 1100 2HH2 ARG 113 -18.053 34.296 76.297 1.00 0.00 0.174 HD +ATOM 1101 N ASP 114 -13.979 26.831 76.308 0.00 0.00 -0.346 N +ATOM 1102 HN ASP 114 -14.465 25.981 76.594 1.00 0.00 0.163 HD +ATOM 1103 CA ASP 114 -12.579 27.004 76.680 0.00 0.00 0.186 C +ATOM 1104 C ASP 114 -11.655 26.310 75.684 0.00 0.00 0.241 C +ATOM 1105 O ASP 114 -10.478 26.109 75.968 0.00 0.00 -0.271 OA +ATOM 1106 CB ASP 114 -12.320 26.408 78.076 0.00 0.00 0.147 C +ATOM 1107 CG ASP 114 -13.236 26.933 79.183 0.00 0.00 0.175 C +ATOM 1108 OD1 ASP 114 -13.608 28.116 79.197 0.00 0.00 -0.648 OA +ATOM 1109 OD2 ASP 114 -13.575 26.061 80.071 0.00 0.00 -0.648 OA +ATOM 1110 N GLY 115 -12.197 25.906 74.539 0.00 0.00 -0.351 N +ATOM 1111 HN GLY 115 -13.185 26.081 74.357 1.00 0.00 0.163 HD +ATOM 1112 CA GLY 115 -11.394 25.219 73.548 0.00 0.00 0.225 C +ATOM 1113 C GLY 115 -11.142 23.756 73.863 0.00 0.00 0.236 C +ATOM 1114 O GLY 115 -10.520 23.055 73.069 0.00 0.00 -0.272 OA +ATOM 1115 N LYS 116 -11.625 23.278 75.003 0.00 0.00 -0.346 N +ATOM 1116 HN LYS 116 -12.141 23.895 75.631 1.00 0.00 0.163 HD +ATOM 1117 CA LYS 116 -11.425 21.878 75.368 0.00 0.00 0.177 C +ATOM 1118 C LYS 116 -12.361 20.929 74.606 0.00 0.00 0.247 C +ATOM 1119 O LYS 116 -13.577 21.125 74.577 0.00 0.00 -0.271 OA +ATOM 1120 CB LYS 116 -11.632 21.661 76.879 0.00 0.00 0.035 C +ATOM 1121 CG LYS 116 -10.883 22.718 77.692 0.00 0.00 0.004 C +ATOM 1122 CD LYS 116 -10.789 22.313 79.164 0.00 0.00 0.027 C +ATOM 1123 CE LYS 116 -10.089 23.396 79.988 0.00 0.00 0.229 C +ATOM 1124 NZ LYS 116 -10.963 24.570 80.145 0.00 0.00 -0.079 N +ATOM 1125 HZ1 LYS 116 -10.496 25.292 80.694 1.00 0.00 0.274 HD +ATOM 1126 HZ2 LYS 116 -11.869 24.318 80.541 1.00 0.00 0.274 HD +ATOM 1127 HZ3 LYS 116 -11.284 24.927 79.245 1.00 0.00 0.274 HD +ATOM 1128 N PRO 117 -11.795 19.918 73.938 0.00 0.00 -0.315 N +ATOM 1129 CA PRO 117 -12.572 18.934 73.179 0.00 0.00 0.082 C +ATOM 1130 C PRO 117 -13.430 18.055 74.091 0.00 0.00 0.265 C +ATOM 1131 O PRO 117 -13.031 17.735 75.214 0.00 0.00 -0.266 OA +ATOM 1132 CB PRO 117 -11.761 18.504 72.053 0.00 0.00 0.065 C +ATOM 1133 CG PRO 117 -10.332 18.861 72.430 0.00 0.00 0.026 C +ATOM 1134 CD PRO 117 -10.386 19.820 73.608 0.00 0.00 0.132 C +ATOM 1135 N PHE 118 -14.595 17.652 73.591 0.00 0.00 -0.342 N +ATOM 1136 HN PHE 118 -14.858 17.964 72.656 1.00 0.00 0.163 HD +ATOM 1137 CA PHE 118 -15.512 16.785 74.320 0.00 0.00 0.181 C +ATOM 1138 C PHE 118 -16.402 16.051 73.323 0.00 0.00 0.241 C +ATOM 1139 O PHE 118 -16.611 16.525 72.207 0.00 0.00 -0.271 OA +ATOM 1140 CB PHE 118 -16.368 17.583 75.321 0.00 0.00 0.073 C +ATOM 1141 CG PHE 118 -17.419 18.482 74.682 0.00 0.00 -0.056 A +ATOM 1142 CD1 PHE 118 -18.758 18.043 74.564 0.00 0.00 0.007 A +ATOM 1143 CD2 PHE 118 -17.057 19.760 74.197 0.00 0.00 0.007 A +ATOM 1144 CE1 PHE 118 -19.728 18.877 73.968 0.00 0.00 0.001 A +ATOM 1145 CE2 PHE 118 -18.028 20.593 73.601 0.00 0.00 0.001 A +ATOM 1146 CZ PHE 118 -19.363 20.152 73.487 0.00 0.00 0.000 A +ATOM 1147 N GLU 119 -16.842 14.858 73.705 0.00 0.00 -0.346 N +ATOM 1148 HN GLU 119 -16.542 14.495 74.610 1.00 0.00 0.163 HD +ATOM 1149 CA GLU 119 -17.732 14.045 72.892 0.00 0.00 0.177 C +ATOM 1150 C GLU 119 -19.113 14.048 73.556 0.00 0.00 0.241 C +ATOM 1151 O GLU 119 -19.223 14.057 74.791 0.00 0.00 -0.271 OA +ATOM 1152 CB GLU 119 -17.215 12.601 72.755 0.00 0.00 0.045 C +ATOM 1153 CG GLU 119 -16.004 12.538 71.822 0.00 0.00 0.116 C +ATOM 1154 CD GLU 119 -15.640 11.089 71.492 0.00 0.00 0.172 C +ATOM 1155 OE1 GLU 119 -16.039 10.169 72.220 0.00 0.00 -0.648 OA +ATOM 1156 OE2 GLU 119 -14.917 10.936 70.434 0.00 0.00 -0.648 OA +ATOM 1157 N LEU 120 -20.154 13.974 72.732 0.00 0.00 -0.346 N +ATOM 1158 HN LEU 120 -19.979 13.891 71.731 1.00 0.00 0.163 HD +ATOM 1159 CA LEU 120 -21.543 14.006 73.201 0.00 0.00 0.177 C +ATOM 1160 C LEU 120 -22.477 13.071 72.423 0.00 0.00 0.241 C +ATOM 1161 O LEU 120 -22.394 12.990 71.199 0.00 0.00 -0.271 OA +ATOM 1162 CB LEU 120 -22.068 15.449 73.081 0.00 0.00 0.038 C +ATOM 1163 CG LEU 120 -23.515 15.675 73.523 0.00 0.00 -0.020 C +ATOM 1164 CD1 LEU 120 -23.730 15.200 74.961 0.00 0.00 0.009 C +ATOM 1165 CD2 LEU 120 -23.924 17.137 73.335 0.00 0.00 0.009 C +ATOM 1166 N GLU 121 -23.333 12.348 73.149 0.00 0.00 -0.346 N +ATOM 1167 HN GLU 121 -23.298 12.422 74.166 1.00 0.00 0.163 HD +ATOM 1168 CA GLU 121 -24.320 11.452 72.542 0.00 0.00 0.177 C +ATOM 1169 C GLU 121 -25.658 12.120 72.796 0.00 0.00 0.241 C +ATOM 1170 O GLU 121 -25.976 12.472 73.926 0.00 0.00 -0.271 OA +ATOM 1171 CB GLU 121 -24.262 10.036 73.144 0.00 0.00 0.045 C +ATOM 1172 CG GLU 121 -22.994 9.303 72.701 0.00 0.00 0.116 C +ATOM 1173 CD GLU 121 -23.112 7.799 72.956 0.00 0.00 0.172 C +ATOM 1174 OE1 GLU 121 -23.526 7.049 72.059 0.00 0.00 -0.648 OA +ATOM 1175 OE2 GLU 121 -22.755 7.416 74.134 0.00 0.00 -0.648 OA +ATOM 1176 N ALA 122 -26.378 12.433 71.732 0.00 0.00 -0.346 N +ATOM 1177 HN ALA 122 -26.037 12.192 70.801 1.00 0.00 0.163 HD +ATOM 1178 CA ALA 122 -27.647 13.116 71.879 0.00 0.00 0.172 C +ATOM 1179 C ALA 122 -28.780 12.280 71.309 0.00 0.00 0.240 C +ATOM 1180 O ALA 122 -28.570 11.456 70.417 0.00 0.00 -0.271 OA +ATOM 1181 CB ALA 122 -27.585 14.506 71.219 0.00 0.00 0.042 C +ATOM 1182 N ASP 123 -29.967 12.483 71.875 0.00 0.00 -0.346 N +ATOM 1183 HN ASP 123 -30.026 13.178 72.620 1.00 0.00 0.163 HD +ATOM 1184 CA ASP 123 -31.197 11.776 71.501 0.00 0.00 0.186 C +ATOM 1185 C ASP 123 -32.301 12.821 71.639 0.00 0.00 0.241 C +ATOM 1186 O ASP 123 -32.051 13.908 72.168 0.00 0.00 -0.271 OA +ATOM 1187 CB ASP 123 -31.431 10.644 72.518 0.00 0.00 0.147 C +ATOM 1188 CG ASP 123 -32.594 9.706 72.186 0.00 0.00 0.175 C +ATOM 1189 OD1 ASP 123 -33.265 9.861 71.154 0.00 0.00 -0.648 OA +ATOM 1190 OD2 ASP 123 -32.804 8.771 73.049 0.00 0.00 -0.648 OA +ATOM 1191 N GLY 124 -33.501 12.519 71.147 0.00 0.00 -0.351 N +ATOM 1192 HN GLY 124 -33.643 11.629 70.670 1.00 0.00 0.163 HD +ATOM 1193 CA GLY 124 -34.611 13.448 71.285 0.00 0.00 0.225 C +ATOM 1194 C GLY 124 -34.424 14.818 70.656 0.00 0.00 0.236 C +ATOM 1195 O GLY 124 -33.866 14.942 69.548 0.00 0.00 -0.272 OA +ATOM 1196 N LEU 125 -34.826 15.851 71.393 0.00 0.00 -0.346 N +ATOM 1197 HN LEU 125 -35.200 15.678 72.326 1.00 0.00 0.163 HD +ATOM 1198 CA LEU 125 -34.748 17.215 70.908 0.00 0.00 0.177 C +ATOM 1199 C LEU 125 -33.324 17.756 70.728 0.00 0.00 0.241 C +ATOM 1200 O LEU 125 -33.099 18.614 69.854 0.00 0.00 -0.271 OA +ATOM 1201 CB LEU 125 -35.550 18.156 71.826 0.00 0.00 0.038 C +ATOM 1202 CG LEU 125 -35.600 19.625 71.402 0.00 0.00 -0.020 C +ATOM 1203 CD1 LEU 125 -36.275 19.780 70.037 0.00 0.00 0.009 C +ATOM 1204 CD2 LEU 125 -36.273 20.483 72.475 0.00 0.00 0.009 C +ATOM 1205 N LEU 126 -32.398 17.329 71.597 0.00 0.00 -0.346 N +ATOM 1206 HN LEU 126 -32.676 16.685 72.338 1.00 0.00 0.163 HD +ATOM 1207 CA LEU 126 -30.988 17.761 71.517 0.00 0.00 0.177 C +ATOM 1208 C LEU 126 -30.426 17.290 70.179 0.00 0.00 0.241 C +ATOM 1209 O LEU 126 -29.912 18.096 69.433 0.00 0.00 -0.271 OA +ATOM 1210 CB LEU 126 -30.143 17.210 72.681 0.00 0.00 0.038 C +ATOM 1211 CG LEU 126 -28.683 17.665 72.724 0.00 0.00 -0.020 C +ATOM 1212 CD1 LEU 126 -28.586 19.176 72.944 0.00 0.00 0.009 C +ATOM 1213 CD2 LEU 126 -27.895 16.881 73.775 0.00 0.00 0.009 C +ATOM 1214 N ALA 127 -30.633 16.014 69.847 0.00 0.00 -0.346 N +ATOM 1215 HN ALA 127 -31.140 15.423 70.506 1.00 0.00 0.163 HD +ATOM 1216 CA ALA 127 -30.174 15.410 68.588 0.00 0.00 0.172 C +ATOM 1217 C ALA 127 -30.642 16.123 67.319 0.00 0.00 0.240 C +ATOM 1218 O ALA 127 -29.888 16.241 66.334 0.00 0.00 -0.271 OA +ATOM 1219 CB ALA 127 -30.595 13.930 68.538 0.00 0.00 0.042 C +ATOM 1220 N ILE 128 -31.900 16.564 67.348 0.00 0.00 -0.346 N +ATOM 1221 HN ILE 128 -32.445 16.387 68.192 1.00 0.00 0.163 HD +ATOM 1222 CA ILE 128 -32.553 17.283 66.256 0.00 0.00 0.180 C +ATOM 1223 C ILE 128 -32.022 18.718 66.174 0.00 0.00 0.241 C +ATOM 1224 O ILE 128 -31.841 19.282 65.088 0.00 0.00 -0.271 OA +ATOM 1225 CB ILE 128 -34.073 17.293 66.502 0.00 0.00 0.013 C +ATOM 1226 CG1 ILE 128 -34.693 15.938 66.155 0.00 0.00 0.002 C +ATOM 1227 CG2 ILE 128 -34.744 18.441 65.745 0.00 0.00 0.012 C +ATOM 1228 CD1 ILE 128 -36.107 15.819 66.728 0.00 0.00 0.005 C +ATOM 1229 N CYS 129 -31.828 19.321 67.338 0.00 0.00 -0.345 N +ATOM 1230 HN CYS 129 -32.042 18.811 68.195 1.00 0.00 0.163 HD +ATOM 1231 CA CYS 129 -31.320 20.687 67.442 0.00 0.00 0.185 C +ATOM 1232 C CYS 129 -29.870 20.785 66.908 0.00 0.00 0.241 C +ATOM 1233 O CYS 129 -29.570 21.636 66.064 0.00 0.00 -0.271 OA +ATOM 1234 CB CYS 129 -31.396 21.141 68.912 0.00 0.00 0.105 C +ATOM 1235 SG CYS 129 -30.697 22.786 69.238 0.00 0.00 -0.180 SA +ATOM 1236 HSG CYS 129 -30.784 23.012 70.217 0.00 0.00 0.101 HD +ATOM 1237 N ILE 130 -29.007 19.876 67.369 0.00 0.00 -0.346 N +ATOM 1238 HN ILE 130 -29.333 19.202 68.062 1.00 0.00 0.163 HD +ATOM 1239 CA ILE 130 -27.614 19.805 66.924 0.00 0.00 0.180 C +ATOM 1240 C ILE 130 -27.592 19.714 65.392 0.00 0.00 0.241 C +ATOM 1241 O ILE 130 -26.929 20.507 64.728 0.00 0.00 -0.271 OA +ATOM 1242 CB ILE 130 -26.913 18.562 67.502 0.00 0.00 0.013 C +ATOM 1243 CG1 ILE 130 -26.590 18.754 68.985 0.00 0.00 0.002 C +ATOM 1244 CG2 ILE 130 -25.669 18.205 66.686 0.00 0.00 0.012 C +ATOM 1245 CD1 ILE 130 -25.812 17.558 69.537 0.00 0.00 0.005 C +ATOM 1246 N GLN 131 -28.387 18.799 64.835 0.00 0.00 -0.346 N +ATOM 1247 HN GLN 131 -28.967 18.214 65.436 1.00 0.00 0.163 HD +ATOM 1248 CA GLN 131 -28.449 18.612 63.391 0.00 0.00 0.177 C +ATOM 1249 C GLN 131 -28.892 19.844 62.661 0.00 0.00 0.241 C +ATOM 1250 O GLN 131 -28.413 20.128 61.573 0.00 0.00 -0.271 OA +ATOM 1251 CB GLN 131 -29.396 17.457 63.016 0.00 0.00 0.044 C +ATOM 1252 CG GLN 131 -28.801 16.107 63.421 0.00 0.00 0.105 C +ATOM 1253 CD GLN 131 -29.822 14.981 63.240 0.00 0.00 0.215 C +ATOM 1254 OE1 GLN 131 -30.105 14.535 62.141 0.00 0.00 -0.274 OA +ATOM 1255 NE2 GLN 131 -30.357 14.550 64.379 0.00 0.00 -0.370 N +ATOM 1256 1HE2 GLN 131 -30.120 14.923 65.298 1.00 0.00 0.159 HD +ATOM 1257 2HE2 GLN 131 -31.037 13.800 64.258 1.00 0.00 0.159 HD +ATOM 1258 N HIZ 132 -29.793 20.599 63.266 0.00 0.00 -0.346 N +ATOM 1259 HN HIZ 132 -30.121 20.339 64.196 1.00 0.00 0.163 HD +ATOM 1260 CA HIZ 132 -30.323 21.790 62.631 0.00 0.00 0.182 C +ATOM 1261 C HIZ 132 -29.308 22.952 62.674 0.00 0.00 0.241 C +ATOM 1262 O HIZ 132 -29.212 23.745 61.730 0.00 0.00 -0.271 OA +ATOM 1263 CB HIZ 132 -31.675 22.091 63.304 0.00 0.00 0.093 C +ATOM 1264 CG HIZ 132 -32.164 23.504 63.095 0.00 0.00 0.028 A +ATOM 1265 ND1 HIZ 132 -33.326 23.801 62.403 0.00 0.00 -0.354 N +ATOM 1266 HD1 HIZ 132 -33.956 23.122 61.975 1.00 0.00 0.166 HD +ATOM 1267 CD2 HIZ 132 -31.638 24.698 63.494 0.00 0.00 0.114 A +ATOM 1268 CE1 HIZ 132 -33.481 25.117 62.392 0.00 0.00 0.180 A +ATOM 1269 NE2 HIZ 132 -32.434 25.671 63.068 0.00 0.00 -0.360 N +ATOM 1270 HE2 HIZ 132 -32.287 26.669 63.221 1.00 0.00 0.166 HD +ATOM 1271 N GLU 133 -28.560 23.063 63.769 0.00 0.00 -0.346 N +ATOM 1272 HN GLU 133 -28.693 22.409 64.540 1.00 0.00 0.163 HD +ATOM 1273 CA GLU 133 -27.546 24.117 63.877 0.00 0.00 0.177 C +ATOM 1274 C GLU 133 -26.351 23.807 62.936 0.00 0.00 0.241 C +ATOM 1275 O GLU 133 -25.948 24.668 62.153 0.00 0.00 -0.271 OA +ATOM 1276 CB GLU 133 -27.042 24.272 65.324 0.00 0.00 0.045 C +ATOM 1277 CG GLU 133 -28.208 24.497 66.289 0.00 0.00 0.116 C +ATOM 1278 CD GLU 133 -29.074 25.674 65.838 0.00 0.00 0.172 C +ATOM 1279 OE1 GLU 133 -28.760 26.325 64.830 0.00 0.00 -0.648 OA +ATOM 1280 OE2 GLU 133 -30.108 25.905 66.574 0.00 0.00 -0.648 OA +ATOM 1281 N MET 134 -25.840 22.573 62.998 0.00 0.00 -0.346 N +ATOM 1282 HN MET 134 -26.232 21.916 63.673 1.00 0.00 0.163 HD +ATOM 1283 CA MET 134 -24.738 22.121 62.136 0.00 0.00 0.177 C +ATOM 1284 C MET 134 -25.081 22.366 60.669 0.00 0.00 0.241 C +ATOM 1285 O MET 134 -24.222 22.810 59.890 0.00 0.00 -0.271 OA +ATOM 1286 CB MET 134 -24.405 20.639 62.387 0.00 0.00 0.045 C +ATOM 1287 CG MET 134 -23.651 20.462 63.706 0.00 0.00 0.076 C +ATOM 1288 SD MET 134 -23.003 18.769 63.831 0.00 0.00 -0.173 SA +ATOM 1289 CE MET 134 -21.860 18.763 62.418 0.00 0.00 0.089 C +ATOM 1290 N ASP 135 -26.353 22.163 60.302 0.00 0.00 -0.346 N +ATOM 1291 HN ASP 135 -27.028 21.832 60.991 1.00 0.00 0.163 HD +ATOM 1292 CA ASP 135 -26.788 22.409 58.925 0.00 0.00 0.186 C +ATOM 1293 C ASP 135 -26.551 23.868 58.576 0.00 0.00 0.241 C +ATOM 1294 O ASP 135 -26.255 24.223 57.440 0.00 0.00 -0.271 OA +ATOM 1295 CB ASP 135 -28.289 22.118 58.744 0.00 0.00 0.147 C +ATOM 1296 CG ASP 135 -28.626 20.680 58.346 0.00 0.00 0.175 C +ATOM 1297 OD1 ASP 135 -27.748 19.805 58.311 0.00 0.00 -0.648 OA +ATOM 1298 OD2 ASP 135 -29.866 20.469 58.060 0.00 0.00 -0.648 OA +ATOM 1299 N HIZ 136 -26.726 24.725 59.559 0.00 0.00 -0.346 N +ATOM 1300 HN HIZ 136 -26.996 24.384 60.482 1.00 0.00 0.163 HD +ATOM 1301 CA HIZ 136 -26.541 26.139 59.349 0.00 0.00 0.182 C +ATOM 1302 C HIZ 136 -25.130 26.513 58.934 0.00 0.00 0.241 C +ATOM 1303 O HIZ 136 -24.947 27.291 57.995 0.00 0.00 -0.271 OA +ATOM 1304 CB HIZ 136 -26.961 26.917 60.610 0.00 0.00 0.093 C +ATOM 1305 CG HIZ 136 -28.357 27.488 60.542 0.00 0.00 0.028 A +ATOM 1306 ND1 HIZ 136 -28.767 28.350 59.540 0.00 0.00 -0.354 N +ATOM 1307 HD1 HIZ 136 -28.192 28.681 58.766 1.00 0.00 0.166 HD +ATOM 1308 CD2 HIZ 136 -29.433 27.311 61.362 0.00 0.00 0.114 A +ATOM 1309 CE1 HIZ 136 -30.034 28.672 59.757 0.00 0.00 0.180 A +ATOM 1310 NE2 HIZ 136 -30.445 28.027 60.887 0.00 0.00 -0.360 N +ATOM 1311 HE2 HIZ 136 -31.376 28.085 61.299 1.00 0.00 0.166 HD +ATOM 1312 N LEU 137 -24.144 25.922 59.603 0.00 0.00 -0.346 N +ATOM 1313 HN LEU 137 -24.381 25.250 60.333 1.00 0.00 0.163 HD +ATOM 1314 CA LEU 137 -22.729 26.198 59.333 0.00 0.00 0.177 C +ATOM 1315 C LEU 137 -22.310 25.822 57.916 0.00 0.00 0.241 C +ATOM 1316 O LEU 137 -21.278 26.253 57.436 0.00 0.00 -0.271 OA +ATOM 1317 CB LEU 137 -21.842 25.483 60.369 0.00 0.00 0.038 C +ATOM 1318 CG LEU 137 -22.058 25.887 61.829 0.00 0.00 -0.020 C +ATOM 1319 CD1 LEU 137 -21.296 24.956 62.774 0.00 0.00 0.009 C +ATOM 1320 CD2 LEU 137 -21.690 27.355 62.052 0.00 0.00 0.009 C +ATOM 1321 N VAL 138 -23.125 25.017 57.246 0.00 0.00 -0.346 N +ATOM 1322 HN VAL 138 -23.968 24.670 57.703 1.00 0.00 0.163 HD +ATOM 1323 CA VAL 138 -22.848 24.620 55.885 0.00 0.00 0.180 C +ATOM 1324 C VAL 138 -23.847 25.244 54.898 0.00 0.00 0.241 C +ATOM 1325 O VAL 138 -24.026 24.746 53.793 0.00 0.00 -0.271 OA +ATOM 1326 CB VAL 138 -22.748 23.091 55.731 0.00 0.00 0.009 C +ATOM 1327 CG1 VAL 138 -21.576 22.534 56.541 0.00 0.00 0.012 C +ATOM 1328 CG2 VAL 138 -24.061 22.413 56.128 0.00 0.00 0.012 C +ATOM 1329 N GLY 139 -24.452 26.363 55.293 0.00 0.00 -0.351 N +ATOM 1330 HN GLY 139 -24.242 26.741 56.217 1.00 0.00 0.163 HD +ATOM 1331 CA GLY 139 -25.407 27.063 54.441 0.00 0.00 0.225 C +ATOM 1332 C GLY 139 -26.700 26.327 54.098 0.00 0.00 0.236 C +ATOM 1333 O GLY 139 -27.301 26.594 53.057 0.00 0.00 -0.272 OA +ATOM 1334 N LYS 140 -27.131 25.421 54.978 0.00 0.00 -0.346 N +ATOM 1335 HN LYS 140 -26.594 25.274 55.833 1.00 0.00 0.163 HD +ATOM 1336 CA LYS 140 -28.341 24.633 54.764 0.00 0.00 0.176 C +ATOM 1337 C LYS 140 -29.430 25.007 55.768 0.00 0.00 0.241 C +ATOM 1338 O LYS 140 -29.159 25.266 56.943 0.00 0.00 -0.271 OA +ATOM 1339 CB LYS 140 -28.026 23.128 54.854 0.00 0.00 0.035 C +ATOM 1340 CG LYS 140 -29.222 22.290 54.400 0.00 0.00 0.004 C +ATOM 1341 CD LYS 140 -28.974 20.800 54.649 0.00 0.00 0.027 C +ATOM 1342 CE LYS 140 -27.912 20.254 53.693 0.00 0.00 0.229 C +ATOM 1343 NZ LYS 140 -27.890 18.783 53.733 0.00 0.00 -0.079 N +ATOM 1344 HZ1 LYS 140 -27.182 18.419 53.096 1.00 0.00 0.274 HD +ATOM 1345 HZ2 LYS 140 -28.810 18.385 53.545 1.00 0.00 0.274 HD +ATOM 1346 HZ3 LYS 140 -27.763 18.431 54.682 1.00 0.00 0.274 HD +ATOM 1347 N LEU 141 -30.666 25.049 55.274 0.00 0.00 -0.346 N +ATOM 1348 HN LEU 141 -30.807 24.812 54.292 1.00 0.00 0.163 HD +ATOM 1349 CA LEU 141 -31.828 25.420 56.076 0.00 0.00 0.177 C +ATOM 1350 C LEU 141 -32.853 24.277 56.030 0.00 0.00 0.241 C +ATOM 1351 O LEU 141 -32.900 23.545 55.039 0.00 0.00 -0.271 OA +ATOM 1352 CB LEU 141 -32.418 26.721 55.500 0.00 0.00 0.038 C +ATOM 1353 CG LEU 141 -31.449 27.898 55.373 0.00 0.00 -0.020 C +ATOM 1354 CD1 LEU 141 -32.082 29.046 54.584 0.00 0.00 0.009 C +ATOM 1355 CD2 LEU 141 -30.954 28.352 56.747 0.00 0.00 0.009 C +ATOM 1356 N PHE 142 -33.656 24.113 57.090 0.00 0.00 -0.346 N +ATOM 1357 HN PHE 142 -33.570 24.759 57.875 1.00 0.00 0.163 HD +ATOM 1358 CA PHE 142 -34.666 23.027 57.165 0.00 0.00 0.180 C +ATOM 1359 C PHE 142 -35.662 22.911 55.979 0.00 0.00 0.241 C +ATOM 1360 O PHE 142 -36.063 21.799 55.569 0.00 0.00 -0.271 OA +ATOM 1361 CB PHE 142 -35.395 23.039 58.521 0.00 0.00 0.073 C +ATOM 1362 CG PHE 142 -36.524 24.055 58.626 0.00 0.00 -0.056 A +ATOM 1363 CD1 PHE 142 -37.749 23.835 57.953 0.00 0.00 0.007 A +ATOM 1364 CD2 PHE 142 -36.351 25.230 59.394 0.00 0.00 0.007 A +ATOM 1365 CE1 PHE 142 -38.791 24.782 58.050 0.00 0.00 0.001 A +ATOM 1366 CE2 PHE 142 -37.394 26.176 59.490 0.00 0.00 0.001 A +ATOM 1367 CZ PHE 142 -38.614 25.952 58.818 0.00 0.00 0.000 A +ATOM 1368 N MET 143 -36.014 24.051 55.389 0.00 0.00 -0.346 N +ATOM 1369 HN MET 143 -35.638 24.934 55.733 1.00 0.00 0.163 HD +ATOM 1370 CA MET 143 -36.923 24.051 54.266 0.00 0.00 0.177 C +ATOM 1371 C MET 143 -36.339 23.390 53.015 0.00 0.00 0.241 C +ATOM 1372 O MET 143 -37.100 22.941 52.156 0.00 0.00 -0.271 OA +ATOM 1373 CB MET 143 -37.422 25.478 53.972 0.00 0.00 0.045 C +ATOM 1374 CG MET 143 -36.261 26.397 53.587 0.00 0.00 0.076 C +ATOM 1375 SD MET 143 -36.891 28.041 53.140 0.00 0.00 -0.173 SA +ATOM 1376 CE MET 143 -37.862 27.616 51.664 0.00 0.00 0.089 C +ATOM 1377 N ASP 144 -35.009 23.240 52.951 0.00 0.00 -0.346 N +ATOM 1378 HN ASP 144 -34.437 23.572 53.728 1.00 0.00 0.163 HD +ATOM 1379 CA ASP 144 -34.342 22.609 51.791 0.00 0.00 0.186 C +ATOM 1380 C ASP 144 -34.730 21.158 51.698 0.00 0.00 0.241 C +ATOM 1381 O ASP 144 -34.539 20.521 50.659 0.00 0.00 -0.271 OA +ATOM 1382 CB ASP 144 -32.807 22.652 51.903 0.00 0.00 0.147 C +ATOM 1383 CG ASP 144 -32.198 24.056 51.915 0.00 0.00 0.175 C +ATOM 1384 OD1 ASP 144 -32.771 25.005 51.359 0.00 0.00 -0.648 OA +ATOM 1385 OD2 ASP 144 -31.072 24.156 52.535 0.00 0.00 -0.648 OA +ATOM 1386 N TYR 145 -35.199 20.626 52.822 0.00 0.00 -0.346 N +ATOM 1387 HN TYR 145 -35.255 21.218 53.651 1.00 0.00 0.163 HD +ATOM 1388 CA TYR 145 -35.640 19.233 52.932 0.00 0.00 0.180 C +ATOM 1389 C TYR 145 -37.030 19.017 52.337 0.00 0.00 0.241 C +ATOM 1390 O TYR 145 -37.394 17.898 51.978 0.00 0.00 -0.271 OA +ATOM 1391 CB TYR 145 -35.676 18.809 54.412 0.00 0.00 0.073 C +ATOM 1392 CG TYR 145 -34.309 18.542 55.026 0.00 0.00 -0.056 A +ATOM 1393 CD1 TYR 145 -33.726 19.479 55.910 0.00 0.00 0.010 A +ATOM 1394 CD2 TYR 145 -33.611 17.354 54.708 0.00 0.00 0.010 A +ATOM 1395 CE1 TYR 145 -32.457 19.228 56.474 0.00 0.00 0.037 A +ATOM 1396 CE2 TYR 145 -32.342 17.103 55.272 0.00 0.00 0.037 A +ATOM 1397 CZ TYR 145 -31.764 18.039 56.156 0.00 0.00 0.065 A +ATOM 1398 OH TYR 145 -30.535 17.792 56.700 0.00 0.00 -0.361 OA +ATOM 1399 HOH TYR 145 -30.297 18.516 57.267 0.00 0.00 0.217 HD +ATOM 1400 N LEU 146 -37.789 20.103 52.250 0.00 0.00 -0.346 N +ATOM 1401 HN LEU 146 -37.390 20.995 52.541 1.00 0.00 0.163 HD +ATOM 1402 CA LEU 146 -39.165 20.088 51.760 0.00 0.00 0.177 C +ATOM 1403 C LEU 146 -39.327 20.064 50.226 0.00 0.00 0.241 C +ATOM 1404 O LEU 146 -38.355 20.255 49.471 0.00 0.00 -0.271 OA +ATOM 1405 CB LEU 146 -39.933 21.258 52.403 0.00 0.00 0.038 C +ATOM 1406 CG LEU 146 -39.693 21.477 53.898 0.00 0.00 -0.020 C +ATOM 1407 CD1 LEU 146 -40.519 22.655 54.419 0.00 0.00 0.009 C +ATOM 1408 CD2 LEU 146 -39.959 20.196 54.690 0.00 0.00 0.009 C +ATOM 1409 N SER 147 -40.548 19.763 49.775 0.00 0.00 -0.344 N +ATOM 1410 HN SER 147 -41.288 19.574 50.451 1.00 0.00 0.163 HD +ATOM 1411 CA SER 147 -40.863 19.695 48.349 0.00 0.00 0.200 C +ATOM 1412 C SER 147 -40.856 21.104 47.766 0.00 0.00 0.249 C +ATOM 1413 O SER 147 -40.978 22.087 48.508 0.00 0.00 -0.271 OA +ATOM 1414 CB SER 147 -42.255 19.070 48.140 0.00 0.00 0.199 C +ATOM 1415 OG SER 147 -43.302 20.007 48.380 0.00 0.00 -0.398 OA +ATOM 1416 HOG SER 147 -44.138 19.579 48.240 0.00 0.00 0.209 HD +ATOM 1417 N PRO 148 -40.762 21.220 46.426 0.00 0.00 -0.315 N +ATOM 1418 CA PRO 148 -40.745 22.519 45.737 0.00 0.00 0.082 C +ATOM 1419 C PRO 148 -41.975 23.350 46.082 0.00 0.00 0.265 C +ATOM 1420 O PRO 148 -41.870 24.544 46.357 0.00 0.00 -0.266 OA +ATOM 1421 CB PRO 148 -40.173 22.305 44.419 0.00 0.00 0.065 C +ATOM 1422 CG PRO 148 -40.314 20.815 44.153 0.00 0.00 0.026 C +ATOM 1423 CD PRO 148 -40.634 20.134 45.474 0.00 0.00 0.132 C +ATOM 1424 N LEU 149 -43.133 22.696 46.120 0.00 0.00 -0.343 N +ATOM 1425 HN LEU 149 -43.144 21.695 45.926 1.00 0.00 0.163 HD +ATOM 1426 CA LEU 149 -44.387 23.372 46.431 0.00 0.00 0.177 C +ATOM 1427 C LEU 149 -44.411 23.891 47.865 0.00 0.00 0.241 C +ATOM 1428 O LEU 149 -44.881 25.002 48.113 0.00 0.00 -0.271 OA +ATOM 1429 CB LEU 149 -45.589 22.440 46.188 0.00 0.00 0.038 C +ATOM 1430 CG LEU 149 -45.587 21.674 44.864 0.00 0.00 -0.020 C +ATOM 1431 CD1 LEU 149 -45.140 20.225 45.069 0.00 0.00 0.009 C +ATOM 1432 CD2 LEU 149 -46.952 21.761 44.178 0.00 0.00 0.009 C +ATOM 1433 N LYS 150 -43.918 23.095 48.814 0.00 0.00 -0.346 N +ATOM 1434 HN LYS 150 -43.544 22.178 48.571 1.00 0.00 0.163 HD +ATOM 1435 CA LYS 150 -43.917 23.544 50.201 0.00 0.00 0.176 C +ATOM 1436 C LYS 150 -42.913 24.654 50.389 0.00 0.00 0.241 C +ATOM 1437 O LYS 150 -43.158 25.614 51.118 0.00 0.00 -0.271 OA +ATOM 1438 CB LYS 150 -43.581 22.405 51.181 0.00 0.00 0.035 C +ATOM 1439 CG LYS 150 -44.091 22.722 52.587 0.00 0.00 0.004 C +ATOM 1440 CD LYS 150 -45.595 22.464 52.696 0.00 0.00 0.027 C +ATOM 1441 CE LYS 150 -45.924 21.002 52.385 0.00 0.00 0.229 C +ATOM 1442 NZ LYS 150 -47.380 20.786 52.406 0.00 0.00 -0.079 N +ATOM 1443 HZ1 LYS 150 -47.599 19.812 52.199 1.00 0.00 0.274 HD +ATOM 1444 HZ2 LYS 150 -47.868 21.426 51.779 1.00 0.00 0.274 HD +ATOM 1445 HZ3 LYS 150 -47.796 21.089 53.287 1.00 0.00 0.274 HD +ATOM 1446 N GLN 151 -41.755 24.490 49.759 0.00 0.00 -0.346 N +ATOM 1447 HN GLN 151 -41.600 23.640 49.216 1.00 0.00 0.163 HD +ATOM 1448 CA GLN 151 -40.706 25.489 49.824 0.00 0.00 0.177 C +ATOM 1449 C GLN 151 -41.294 26.750 49.262 0.00 0.00 0.241 C +ATOM 1450 O GLN 151 -41.068 27.825 49.795 0.00 0.00 -0.271 OA +ATOM 1451 CB GLN 151 -39.488 25.078 48.976 0.00 0.00 0.044 C +ATOM 1452 CG GLN 151 -38.764 23.883 49.599 0.00 0.00 0.105 C +ATOM 1453 CD GLN 151 -37.311 23.814 49.125 0.00 0.00 0.215 C +ATOM 1454 OE1 GLN 151 -36.587 24.796 49.113 0.00 0.00 -0.274 OA +ATOM 1455 NE2 GLN 151 -36.926 22.602 48.736 0.00 0.00 -0.370 N +ATOM 1456 1HE2 GLN 151 -37.531 21.781 48.746 1.00 0.00 0.159 HD +ATOM 1457 2HE2 GLN 151 -35.957 22.556 48.420 1.00 0.00 0.159 HD +ATOM 1458 N GLN 152 -42.084 26.606 48.203 0.00 0.00 -0.346 N +ATOM 1459 HN GLN 152 -42.241 25.675 47.817 1.00 0.00 0.163 HD +ATOM 1460 CA GLN 152 -42.731 27.758 47.583 0.00 0.00 0.177 C +ATOM 1461 C GLN 152 -43.705 28.465 48.538 0.00 0.00 0.241 C +ATOM 1462 O GLN 152 -43.699 29.700 48.651 0.00 0.00 -0.271 OA +ATOM 1463 CB GLN 152 -43.482 27.333 46.307 0.00 0.00 0.044 C +ATOM 1464 CG GLN 152 -44.199 28.525 45.670 0.00 0.00 0.105 C +ATOM 1465 CD GLN 152 -45.212 28.060 44.622 0.00 0.00 0.215 C +ATOM 1466 OE1 GLN 152 -45.427 26.877 44.412 0.00 0.00 -0.274 OA +ATOM 1467 NE2 GLN 152 -45.820 29.052 43.980 0.00 0.00 -0.370 N +ATOM 1468 1HE2 GLN 152 -45.640 30.041 44.155 1.00 0.00 0.159 HD +ATOM 1469 2HE2 GLN 152 -46.495 28.742 43.281 1.00 0.00 0.159 HD +ATOM 1470 N ARG 153 -44.541 27.679 49.215 0.00 0.00 -0.346 N +ATOM 1471 HN ARG 153 -44.504 26.671 49.063 1.00 0.00 0.163 HD +ATOM 1472 CA ARG 153 -45.511 28.215 50.170 0.00 0.00 0.176 C +ATOM 1473 C ARG 153 -44.812 28.885 51.365 0.00 0.00 0.241 C +ATOM 1474 O ARG 153 -45.277 29.916 51.859 0.00 0.00 -0.271 OA +ATOM 1475 CB ARG 153 -46.470 27.107 50.645 0.00 0.00 0.036 C +ATOM 1476 CG ARG 153 -47.167 26.440 49.457 0.00 0.00 0.023 C +ATOM 1477 CD ARG 153 -48.119 25.339 49.929 0.00 0.00 0.138 C +ATOM 1478 NE ARG 153 -48.780 24.709 48.765 0.00 0.00 -0.227 N +ATOM 1479 HE ARG 153 -48.543 25.055 47.835 1.00 0.00 0.177 HD +ATOM 1480 CZ ARG 153 -49.678 23.704 48.856 0.00 0.00 0.665 C +ATOM 1481 NH1 ARG 153 -50.005 23.233 50.067 0.00 0.00 -0.235 N +ATOM 1482 1HH1 ARG 153 -49.582 23.627 50.907 1.00 0.00 0.174 HD +ATOM 1483 2HH1 ARG 153 -50.683 22.474 50.136 1.00 0.00 0.174 HD +ATOM 1484 NH2 ARG 153 -50.233 23.186 47.752 0.00 0.00 -0.235 N +ATOM 1485 1HH2 ARG 153 -49.984 23.545 46.830 1.00 0.00 0.174 HD +ATOM 1486 2HH2 ARG 153 -50.911 22.427 47.821 1.00 0.00 0.174 HD +ATOM 1487 N ILE 154 -43.699 28.308 51.824 0.00 0.00 -0.346 N +ATOM 1488 HN ILE 154 -43.368 27.447 51.389 1.00 0.00 0.163 HD +ATOM 1489 CA ILE 154 -42.942 28.884 52.939 0.00 0.00 0.180 C +ATOM 1490 C ILE 154 -42.393 30.250 52.524 0.00 0.00 0.241 C +ATOM 1491 O ILE 154 -42.532 31.236 53.256 0.00 0.00 -0.271 OA +ATOM 1492 CB ILE 154 -41.753 27.997 53.354 0.00 0.00 0.013 C +ATOM 1493 CG1 ILE 154 -42.232 26.622 53.823 0.00 0.00 0.002 C +ATOM 1494 CG2 ILE 154 -40.890 28.694 54.407 0.00 0.00 0.012 C +ATOM 1495 CD1 ILE 154 -41.051 25.740 54.232 0.00 0.00 0.005 C +ATOM 1496 N ARG 155 -41.783 30.289 51.341 0.00 0.00 -0.346 N +ATOM 1497 HN ARG 155 -41.717 29.427 50.799 1.00 0.00 0.163 HD +ATOM 1498 CA ARG 155 -41.205 31.506 50.784 0.00 0.00 0.176 C +ATOM 1499 C ARG 155 -42.245 32.614 50.654 0.00 0.00 0.241 C +ATOM 1500 O ARG 155 -41.978 33.758 51.034 0.00 0.00 -0.271 OA +ATOM 1501 CB ARG 155 -40.575 31.235 49.405 0.00 0.00 0.036 C +ATOM 1502 CG ARG 155 -39.318 30.373 49.536 0.00 0.00 0.023 C +ATOM 1503 CD ARG 155 -38.663 30.148 48.172 0.00 0.00 0.138 C +ATOM 1504 NE ARG 155 -39.446 29.165 47.391 0.00 0.00 -0.227 N +ATOM 1505 HE ARG 155 -39.432 28.192 47.696 1.00 0.00 0.177 HD +ATOM 1506 CZ ARG 155 -40.178 29.476 46.300 0.00 0.00 0.665 C +ATOM 1507 NH1 ARG 155 -40.213 30.749 45.882 0.00 0.00 -0.235 N +ATOM 1508 1HH1 ARG 155 -40.766 30.984 45.058 1.00 0.00 0.174 HD +ATOM 1509 2HH1 ARG 155 -39.693 31.472 46.380 1.00 0.00 0.174 HD +ATOM 1510 NH2 ARG 155 -40.861 28.527 45.646 0.00 0.00 -0.235 N +ATOM 1511 1HH2 ARG 155 -41.414 28.762 44.822 1.00 0.00 0.174 HD +ATOM 1512 2HH2 ARG 155 -40.834 27.558 45.964 1.00 0.00 0.174 HD +ATOM 1513 N GLN 156 -43.422 32.271 50.124 0.00 0.00 -0.346 N +ATOM 1514 HN GLN 156 -43.567 31.301 49.843 1.00 0.00 0.163 HD +ATOM 1515 CA GLN 156 -44.519 33.234 49.928 0.00 0.00 0.177 C +ATOM 1516 C GLN 156 -45.189 33.721 51.220 0.00 0.00 0.241 C +ATOM 1517 O GLN 156 -45.706 34.841 51.269 0.00 0.00 -0.271 OA +ATOM 1518 CB GLN 156 -45.575 32.653 48.969 0.00 0.00 0.044 C +ATOM 1519 CG GLN 156 -44.966 32.359 47.596 0.00 0.00 0.105 C +ATOM 1520 CD GLN 156 -46.000 31.729 46.662 0.00 0.00 0.215 C +ATOM 1521 OE1 GLN 156 -47.116 31.420 47.046 0.00 0.00 -0.274 OA +ATOM 1522 NE2 GLN 156 -45.569 31.555 45.416 0.00 0.00 -0.370 N +ATOM 1523 1HE2 GLN 156 -44.636 31.813 45.095 1.00 0.00 0.159 HD +ATOM 1524 2HE2 GLN 156 -46.259 31.135 44.793 1.00 0.00 0.159 HD +ATOM 1525 N LYS 157 -45.192 32.871 52.250 0.00 0.00 -0.346 N +ATOM 1526 HN LYS 157 -44.774 31.949 52.124 1.00 0.00 0.163 HD +ATOM 1527 CA LYS 157 -45.769 33.205 53.551 0.00 0.00 0.176 C +ATOM 1528 C LYS 157 -44.822 34.094 54.338 0.00 0.00 0.241 C +ATOM 1529 O LYS 157 -45.253 34.976 55.083 0.00 0.00 -0.271 OA +ATOM 1530 CB LYS 157 -46.068 31.928 54.358 0.00 0.00 0.035 C +ATOM 1531 CG LYS 157 -47.271 31.182 53.778 0.00 0.00 0.004 C +ATOM 1532 CD LYS 157 -47.618 29.957 54.627 0.00 0.00 0.027 C +ATOM 1533 CE LYS 157 -48.849 29.237 54.073 0.00 0.00 0.229 C +ATOM 1534 NZ LYS 157 -50.024 30.123 54.110 0.00 0.00 -0.079 N +ATOM 1535 HZ1 LYS 157 -50.845 29.643 53.741 1.00 0.00 0.274 HD +ATOM 1536 HZ2 LYS 157 -49.850 31.004 53.626 1.00 0.00 0.274 HD +ATOM 1537 HZ3 LYS 157 -50.190 30.494 55.046 1.00 0.00 0.274 HD +ATOM 1538 N VAL 158 -43.527 33.823 54.209 0.00 0.00 -0.346 N +ATOM 1539 HN VAL 158 -43.235 33.039 53.626 1.00 0.00 0.163 HD +ATOM 1540 CA VAL 158 -42.520 34.625 54.884 0.00 0.00 0.180 C +ATOM 1541 C VAL 158 -42.588 36.016 54.256 0.00 0.00 0.241 C +ATOM 1542 O VAL 158 -42.689 37.017 54.958 0.00 0.00 -0.271 OA +ATOM 1543 CB VAL 158 -41.109 34.034 54.706 0.00 0.00 0.009 C +ATOM 1544 CG1 VAL 158 -40.049 34.955 55.314 0.00 0.00 0.012 C +ATOM 1545 CG2 VAL 158 -41.024 32.629 55.305 0.00 0.00 0.012 C +ATOM 1546 N GLU 159 -42.659 36.055 52.928 0.00 0.00 -0.346 N +ATOM 1547 HN GLU 159 -42.678 35.174 52.415 1.00 0.00 0.163 HD +ATOM 1548 CA GLU 159 -42.711 37.309 52.169 0.00 0.00 0.177 C +ATOM 1549 C GLU 159 -43.880 38.259 52.462 0.00 0.00 0.241 C +ATOM 1550 O GLU 159 -43.944 39.348 51.891 0.00 0.00 -0.271 OA +ATOM 1551 CB GLU 159 -42.627 37.021 50.658 0.00 0.00 0.045 C +ATOM 1552 CG GLU 159 -41.466 36.075 50.345 0.00 0.00 0.116 C +ATOM 1553 CD GLU 159 -41.382 35.789 48.844 0.00 0.00 0.172 C +ATOM 1554 OE1 GLU 159 -42.198 36.308 48.067 0.00 0.00 -0.648 OA +ATOM 1555 OE2 GLU 159 -40.427 34.998 48.492 0.00 0.00 -0.648 OA +ATOM 1556 N LYS 160 -44.805 37.854 53.327 0.00 0.00 -0.346 N +ATOM 1557 HN LYS 160 -44.720 36.931 53.753 1.00 0.00 0.163 HD +ATOM 1558 CA LYS 160 -45.940 38.702 53.680 0.00 0.00 0.176 C +ATOM 1559 C LYS 160 -45.612 39.467 54.957 0.00 0.00 0.241 C +ATOM 1560 O LYS 160 -46.185 40.517 55.229 0.00 0.00 -0.271 OA +ATOM 1561 CB LYS 160 -47.202 37.842 53.878 0.00 0.00 0.035 C +ATOM 1562 CG LYS 160 -47.544 37.068 52.604 0.00 0.00 0.004 C +ATOM 1563 CD LYS 160 -48.798 36.213 52.801 0.00 0.00 0.027 C +ATOM 1564 CE LYS 160 -49.139 35.439 51.526 0.00 0.00 0.229 C +ATOM 1565 NZ LYS 160 -50.346 34.621 51.728 0.00 0.00 -0.079 N +ATOM 1566 HZ1 LYS 160 -50.573 34.105 50.878 1.00 0.00 0.274 HD +ATOM 1567 HZ2 LYS 160 -51.134 35.181 52.054 1.00 0.00 0.274 HD +ATOM 1568 HZ3 LYS 160 -50.255 34.003 52.534 1.00 0.00 0.274 HD +ATOM 1569 N LEU 161 -44.649 38.946 55.709 0.00 0.00 -0.346 N +ATOM 1570 HN LEU 161 -44.188 38.093 55.393 1.00 0.00 0.163 HD +ATOM 1571 CA LEU 161 -44.226 39.544 56.964 0.00 0.00 0.177 C +ATOM 1572 C LEU 161 -42.926 40.355 56.801 0.00 0.00 0.241 C +ATOM 1573 O LEU 161 -42.765 41.053 55.797 0.00 0.00 -0.271 OA +ATOM 1574 CB LEU 161 -44.091 38.449 58.039 0.00 0.00 0.038 C +ATOM 1575 CG LEU 161 -45.332 37.586 58.277 0.00 0.00 -0.020 C +ATOM 1576 CD1 LEU 161 -45.072 36.540 59.363 0.00 0.00 0.009 C +ATOM 1577 CD2 LEU 161 -46.550 38.454 58.597 0.00 0.00 0.009 C +ATOM 1578 N ASP 162 -42.022 40.266 57.791 0.00 0.00 -0.346 N +ATOM 1579 HN ASP 162 -42.248 39.649 58.571 1.00 0.00 0.163 HD +ATOM 1580 CA ASP 162 -40.719 40.987 57.854 0.00 0.00 0.186 C +ATOM 1581 C ASP 162 -40.869 42.518 57.954 0.00 0.00 0.241 C +ATOM 1582 O ASP 162 -39.928 43.243 58.297 0.00 0.00 -0.271 OA +ATOM 1583 CB ASP 162 -39.754 40.586 56.723 0.00 0.00 0.147 C +ATOM 1584 CG ASP 162 -38.765 39.475 57.080 0.00 0.00 0.175 C +ATOM 1585 OD1 ASP 162 -38.611 39.110 58.255 0.00 0.00 -0.648 OA +ATOM 1586 OD2 ASP 162 -38.128 38.969 56.079 0.00 0.00 -0.648 OA +ATOM 1587 N ARG 163 -42.084 42.974 57.676 0.00 0.00 -0.346 N +ATOM 1588 HN ARG 163 -42.788 42.291 57.397 1.00 0.00 0.163 HD +ATOM 1589 CA ARG 163 -42.493 44.365 57.736 0.00 0.00 0.176 C +ATOM 1590 C ARG 163 -43.376 44.331 58.991 0.00 0.00 0.240 C +ATOM 1591 O ARG 163 -42.915 43.878 60.045 0.00 0.00 -0.271 OA +ATOM 1592 CB ARG 163 -43.311 44.688 56.472 0.00 0.00 0.036 C +ATOM 1593 CG ARG 163 -44.349 43.598 56.197 0.00 0.00 0.023 C +ATOM 1594 CD ARG 163 -45.027 43.815 54.843 0.00 0.00 0.138 C +ATOM 1595 NE ARG 163 -44.087 43.488 53.747 0.00 0.00 -0.227 N +ATOM 1596 HE ARG 163 -43.093 43.657 53.904 1.00 0.00 0.177 HD +ATOM 1597 CZ ARG 163 -44.462 42.981 52.554 0.00 0.00 0.665 C +ATOM 1598 NH1 ARG 163 -45.763 42.752 52.325 0.00 0.00 -0.235 N +ATOM 1599 1HH1 ARG 163 -46.046 42.369 51.423 1.00 0.00 0.174 HD +ATOM 1600 2HH1 ARG 163 -46.458 42.958 53.042 1.00 0.00 0.174 HD +ATOM 1601 NH2 ARG 163 -43.549 42.711 51.612 0.00 0.00 -0.235 N +ATOM 1602 1HH2 ARG 163 -43.832 42.328 50.710 1.00 0.00 0.174 HD +ATOM 1603 2HH2 ARG 163 -42.559 42.885 51.786 1.00 0.00 0.174 HD +ATOM 1604 N LEU 164 -44.640 44.734 58.874 0.00 0.00 -0.353 N +ATOM 1605 HN LEU 164 -44.982 45.073 57.975 1.00 0.00 0.163 HD +ATOM 1606 CA LEU 164 -45.537 44.694 60.018 0.00 0.00 0.108 C +ATOM 1607 C LEU 164 -45.581 45.946 60.874 0.00 0.00 0.192 C +ATOM 1608 O LEU 164 -46.054 45.862 62.029 0.00 0.00 -0.389 OA +ATOM 1609 CB LEU 164 -45.120 43.511 60.912 0.00 0.00 0.033 C +ATOM 1610 CG LEU 164 -45.953 43.302 62.179 0.00 0.00 0.007 C +ATOM 1611 CD1 LEU 164 -45.442 42.102 62.978 0.00 0.00 0.012 C +ATOM 1612 CD2 LEU 164 -45.997 44.577 63.023 0.00 0.00 0.172 C +ATOM 1613 ZN ZN4 490 -32.456 27.866 62.346 0.00 0.00 2.000 Zn +TER 1614 ZN4 490 diff --git a/unidock/example/paired_batch/ligand_config.json b/unidock/example/paired_batch/ligand_config.json new file mode 100644 index 0000000..6b96bff --- /dev/null +++ b/unidock/example/paired_batch/ligand_config.json @@ -0,0 +1,9 @@ +{ + "center_x": -36.0095, + "center_y": 25.628500000000003, + "center_z": 67.49199999999999, + "size_x": 17.201, + "size_y": 14.375000000000004, + "size_z": 12.239999999999995 +} + diff --git a/unidock/example/paired_batch/paired_batch_config.json b/unidock/example/paired_batch/paired_batch_config.json new file mode 100644 index 0000000..6c967bd --- /dev/null +++ b/unidock/example/paired_batch/paired_batch_config.json @@ -0,0 +1,22 @@ +{ + "def1": { + "protein": "example/paired_batch/def1.pdbqt", + "ligand": "example/paired_batch/actives1.pdbqt", + "ligand_config": "example/paired_batch/ligand_config.json" + }, + "def3": { + "protein": "example/paired_batch/def3.pdbqt", + "ligand": "example/paired_batch/actives3.pdbqt", + "ligand_config": "example/paired_batch/ligand_config.json" + }, + "def4": { + "protein": "example/paired_batch/def4.pdbqt", + "ligand": "example/paired_batch/actives4.pdbqt", + "ligand_config": "example/paired_batch/ligand_config.json" + }, + "def5": { + "protein": "example/paired_batch/def5.pdbqt", + "ligand": "example/paired_batch/actives5.pdbqt", + "ligand_config": "example/paired_batch/ligand_config.json" + } +} diff --git a/unidock/example/paired_batch/readme_paired_batch.txt b/unidock/example/paired_batch/readme_paired_batch.txt new file mode 100644 index 0000000..510e438 --- /dev/null +++ b/unidock/example/paired_batch/readme_paired_batch.txt @@ -0,0 +1,5 @@ +The below example command has to be run from the Uni-Dock/unidock folder, so that the executable is available at build/unidock. + +build/unidock --paired_batch_size 10 --ligand_index example/paired_batch/paired_batch_config.json --size_x 25 --size_y 25 --size_z 25 --dir test/prof_1024 --exhaustiveness 1024 --max_step 60 --seed 5 + +This example command runs docking proposals on 4 receptor:ligand pairs, as defined in the paired_batch_config.json, within a box of 25, and stores the generated ligand poses in test/prof_1024. diff --git a/unidock/src/cuda/monte_carlo.cu b/unidock/src/cuda/monte_carlo.cu index bb2c408..b0ad2e0 100644 --- a/unidock/src/cuda/monte_carlo.cu +++ b/unidock/src/cuda/monte_carlo.cu @@ -212,6 +212,604 @@ __global__ __launch_bounds__(MAX_THREADS_PER_BLOCK, MIN_BLOCKS_PER_MP) void kern /* Above based on kernel.cl */ + +__host__ void monte_carlo::mc_stream( + std::vector &m_gpu, std::vector &out_gpu, + std::vector &p_gpu, triangular_matrix_cuda_t *m_data_list_gpu, + const igrid &ig, const vec &corner1, const vec &corner2, rng &generator, int verbosity, + unsigned long long seed, std::vector> &bias_batch_list) const { + /* Definitions from vina1.2 */ + DEBUG_PRINTF("entering CUDA monte_carlo search\n"); // debug + + cudaStream_t curr_stream = 0; + checkCUDA(cudaStreamCreate ( &curr_stream)); + DEBUG_PRINTF("Stream created [0x%p]\n", curr_stream); + + vec authentic_v(1000, 1000, + 1000); // FIXME? this is here to avoid max_fl/max_fl + + quasi_newton quasi_newton_par; + const int quasi_newton_par_max_steps = local_steps; // no need to decrease step + + /* Allocate CPU memory and define new data structure */ + DEBUG_PRINTF("Allocating CPU memory\n"); // debug + m_cuda_t *m_cuda; + checkCUDA(cudaMallocHost(&m_cuda, sizeof(m_cuda_t))); + memset(m_cuda, 0, sizeof(m_cuda_t)); + + output_type_cuda_t *rand_molec_struc_tmp; + checkCUDA(cudaMallocHost(&rand_molec_struc_tmp, sizeof(output_type_cuda_t))); + memset(rand_molec_struc_tmp, 0, sizeof(output_type_cuda_t)); + + ig_cuda_t *ig_cuda_ptr; + checkCUDA(cudaMallocHost(&ig_cuda_ptr, sizeof(ig_cuda_t))); + memset(ig_cuda_ptr, 0, sizeof(ig_cuda_t)); + + p_cuda_t_cpu *p_cuda; + checkCUDA(cudaMallocHost(&p_cuda, sizeof(p_cuda_t_cpu))); + memset(p_cuda, 0, sizeof(p_cuda_t_cpu)); + + /* End CPU allocation */ + + /* Allocate GPU memory */ + DEBUG_PRINTF("Allocating GPU memory\n"); + size_t m_cuda_size = sizeof(m_cuda_t); + DEBUG_PRINTF("m_cuda_size=%lu\n", m_cuda_size); + size_t ig_cuda_size = sizeof(ig_cuda_t); + DEBUG_PRINTF("ig_cuda_size=%lu\n", ig_cuda_size); + DEBUG_PRINTF("p_cuda_size_cpu=%lu\n", sizeof(p_cuda_t_cpu)); + + size_t p_cuda_size_gpu = sizeof(p_cuda_t); + DEBUG_PRINTF("p_cuda_size_gpu=%lu\n", p_cuda_size_gpu); + + // rand_molec_struc_gpu + float *rand_molec_struc_gpu; + checkCUDA(cudaMalloc(&rand_molec_struc_gpu, thread * SIZE_OF_MOLEC_STRUC)); + checkCUDA(cudaMemsetAsync(rand_molec_struc_gpu, 0, thread * SIZE_OF_MOLEC_STRUC, curr_stream)); + + float epsilon_fl_float = static_cast(epsilon_fl); + + // use cuRand to generate random values on GPU + curandStatePhilox4_32_10_t *states; + DEBUG_PRINTF("random states size=%lu\n", sizeof(curandStatePhilox4_32_10_t) * thread); + checkCUDA(cudaMalloc(&states, sizeof(curandStatePhilox4_32_10_t) * thread)); + checkCUDA(cudaMemsetAsync(states, 0, sizeof(curandStatePhilox4_32_10_t) * thread, curr_stream)); + + // hunt_cap_gpu + float *hunt_cap_gpu; + float hunt_cap_float[3] = {static_cast(hunt_cap[0]), static_cast(hunt_cap[1]), + static_cast(hunt_cap[2])}; + + checkCUDA(cudaMalloc(&hunt_cap_gpu, 3 * sizeof(float))); + checkCUDA(cudaMemsetAsync(hunt_cap_gpu, 0, 3 * sizeof(float), curr_stream)); + // Preparing m related data + m_cuda_t *m_cuda_gpu; + DEBUG_PRINTF("m_cuda_size=%lu", m_cuda_size); + checkCUDA(cudaMalloc(&m_cuda_gpu, num_of_ligands * m_cuda_size)); + checkCUDA(cudaMemsetAsync(m_cuda_gpu, 0, num_of_ligands * m_cuda_size, curr_stream)); + // Preparing p related data + + p_cuda_t *p_cuda_gpu; + checkCUDA(cudaMalloc(&p_cuda_gpu, num_of_ligands * p_cuda_size_gpu)); + checkCUDA(cudaMemsetAsync(p_cuda_gpu, 0, num_of_ligands * p_cuda_size_gpu, curr_stream)); + DEBUG_PRINTF("p_cuda_gpu=%p\n", p_cuda_gpu); + // Preparing ig related data (cache related data) + ig_cuda_t *ig_cuda_gpu; + + float *authentic_v_gpu; + float authentic_v_float[3] + = {static_cast(authentic_v[0]), static_cast(authentic_v[1]), + static_cast(authentic_v[2])}; + + checkCUDA(cudaMalloc(&authentic_v_gpu, sizeof(authentic_v_float))); + checkCUDA(cudaMemsetAsync(authentic_v_gpu, 0, sizeof(authentic_v_float), curr_stream)); + // Preparing result data + output_type_cuda_t *results_gpu; + checkCUDA(cudaMalloc(&results_gpu, thread * sizeof(output_type_cuda_t))); + checkCUDA(cudaMemsetAsync(results_gpu, 0, thread * sizeof(output_type_cuda_t), curr_stream)); + + m_cuda_t *m_cuda_global; + checkCUDA(cudaMalloc(&m_cuda_global, thread * sizeof(m_cuda_t))); + checkCUDA(cudaMemsetAsync(m_cuda_global, 0, thread * sizeof(m_cuda_t), curr_stream)); + + matrix_d *h_cuda_global; + checkCUDA(cudaMalloc(&h_cuda_global, thread * sizeof(matrix_d))); + checkCUDA(cudaMemsetAsync(h_cuda_global, 0, thread * sizeof(matrix_d), curr_stream)); + + /* End Allocating GPU Memory */ + + assert(num_of_ligands <= MAX_LIGAND_NUM); + assert(thread <= MAX_THREAD); + + struct tmp_struct { + int start_index = 0; + int parent_index = 0; + void store_node(tree &child_ptr, rigid_cuda_t &rigid) { + start_index++; // start with index 1, index 0 is root node + rigid.parent[start_index] = parent_index; + rigid.atom_range[start_index][0] = child_ptr.node.begin; + rigid.atom_range[start_index][1] = child_ptr.node.end; + for (int i = 0; i < 9; i++) + rigid.orientation_m[start_index][i] = child_ptr.node.get_orientation_m().data[i]; + rigid.orientation_q[start_index][0] = child_ptr.node.orientation().R_component_1(); + rigid.orientation_q[start_index][1] = child_ptr.node.orientation().R_component_2(); + rigid.orientation_q[start_index][2] = child_ptr.node.orientation().R_component_3(); + rigid.orientation_q[start_index][3] = child_ptr.node.orientation().R_component_4(); + for (int i = 0; i < 3; i++) { + rigid.origin[start_index][i] = child_ptr.node.get_origin()[i]; + rigid.axis[start_index][i] = child_ptr.node.get_axis()[i]; + rigid.relative_axis[start_index][i] = child_ptr.node.relative_axis[i]; + rigid.relative_origin[start_index][i] = child_ptr.node.relative_origin[i]; + } + if (child_ptr.children.size() == 0) + return; + else { + assert(start_index < MAX_NUM_OF_RIGID); + int parent_index_tmp = start_index; + for (int i = 0; i < child_ptr.children.size(); i++) { + this->parent_index = parent_index_tmp; // Update parent index + this->store_node(child_ptr.children[i], rigid); + } + } + } + }; + + for (int l = 0; l < num_of_ligands; ++l) { + model &m = m_gpu[l]; + const precalculate_byatom &p = p_gpu[l]; + + /* Prepare m related data */ + conf_size s = m.get_size(); + change g(s); + output_type tmp(s, 0); + tmp.c = m.get_initial_conf(); + + assert(m.atoms.size() < MAX_NUM_OF_ATOMS); + + // Preparing ligand data + DEBUG_PRINTF("prepare ligand data\n"); + assert(m.num_other_pairs() == 0); // m.other_pairs is not supported! + assert(m.ligands.size() <= 1); // Only one ligand supported! + + if (m.ligands.size() == 0) { // ligand parsing error + m_cuda->m_num_movable_atoms = -1; + DEBUG_PRINTF("copy m_cuda to gpu, size=%lu\n", sizeof(m_cuda_t)); + checkCUDA(cudaMemcpyAsync(m_cuda_gpu + l, m_cuda, sizeof(m_cuda_t), cudaMemcpyHostToDevice, curr_stream)); + } else { + for (int i = 0; i < m.atoms.size(); i++) { + m_cuda->atoms[i].types[0] + = m.atoms[i].el; // To store 4 atoms types (el, ad, xs, sy) + m_cuda->atoms[i].types[1] = m.atoms[i].ad; + m_cuda->atoms[i].types[2] = m.atoms[i].xs; + m_cuda->atoms[i].types[3] = m.atoms[i].sy; + for (int j = 0; j < 3; j++) { + m_cuda->atoms[i].coords[j] = m.atoms[i].coords[j]; // To store atom coords + } + } + + // To store atoms coords + for (int i = 0; i < m.coords.size(); i++) { + for (int j = 0; j < 3; j++) { + m_cuda->m_coords.coords[i][j] = m.coords[i].data[j]; + } + } + + // To store minus forces + for (int i = 0; i < m.coords.size(); i++) { + for (int j = 0; j < 3; j++) { + m_cuda->minus_forces.coords[i][j] = m.minus_forces[i].data[j]; + } + } + + m_cuda->ligand.pairs.num_pairs = m.ligands[0].pairs.size(); + for (int i = 0; i < m_cuda->ligand.pairs.num_pairs; i++) { + m_cuda->ligand.pairs.type_pair_index[i] = m.ligands[0].pairs[i].type_pair_index; + m_cuda->ligand.pairs.a[i] = m.ligands[0].pairs[i].a; + m_cuda->ligand.pairs.b[i] = m.ligands[0].pairs[i].b; + } + m_cuda->ligand.begin = m.ligands[0].begin; // 0 + m_cuda->ligand.end = m.ligands[0].end; // 29 + ligand &m_ligand = m.ligands[0]; // Only support one ligand + DEBUG_PRINTF("m_ligand.end=%lu, MAX_NUM_OF_ATOMS=%d\n", m_ligand.end, MAX_NUM_OF_ATOMS); + assert(m_ligand.end < MAX_NUM_OF_ATOMS); + + // Store root node + m_cuda->ligand.rigid.atom_range[0][0] = m_ligand.node.begin; + m_cuda->ligand.rigid.atom_range[0][1] = m_ligand.node.end; + for (int i = 0; i < 3; i++) + m_cuda->ligand.rigid.origin[0][i] = m_ligand.node.get_origin()[i]; + for (int i = 0; i < 9; i++) + m_cuda->ligand.rigid.orientation_m[0][i] + = m_ligand.node.get_orientation_m().data[i]; + m_cuda->ligand.rigid.orientation_q[0][0] = m_ligand.node.orientation().R_component_1(); + m_cuda->ligand.rigid.orientation_q[0][1] = m_ligand.node.orientation().R_component_2(); + m_cuda->ligand.rigid.orientation_q[0][2] = m_ligand.node.orientation().R_component_3(); + m_cuda->ligand.rigid.orientation_q[0][3] = m_ligand.node.orientation().R_component_4(); + for (int i = 0; i < 3; i++) { + m_cuda->ligand.rigid.axis[0][i] = 0; + m_cuda->ligand.rigid.relative_axis[0][i] = 0; + m_cuda->ligand.rigid.relative_origin[0][i] = 0; + } + + // Store children nodes (in depth-first order) + DEBUG_PRINTF("store children nodes\n"); + + tmp_struct ts; + for (int i = 0; i < m_ligand.children.size(); i++) { + ts.parent_index = 0; // Start a new branch, whose parent is 0 + ts.store_node(m_ligand.children[i], m_cuda->ligand.rigid); + } + m_cuda->ligand.rigid.num_children = ts.start_index; + + // set children map + DEBUG_PRINTF("set children map\n"); + for (int i = 0; i < MAX_NUM_OF_RIGID; i++) + for (int j = 0; j < MAX_NUM_OF_RIGID; j++) { + m_cuda->ligand.rigid.children_map[i][j] = false; + m_cuda->ligand.rigid.descendant_map[i][j] = false; + } + + for (int i = MAX_NUM_OF_RIGID - 1; i >= 0; i--) { + if (i > 0) { + m_cuda->ligand.rigid.children_map[m_cuda->ligand.rigid.parent[i]][i] = true; + m_cuda->ligand.rigid.descendant_map[m_cuda->ligand.rigid.parent[i]][i] = true; + } + for (int j = i + 1; j < MAX_NUM_OF_RIGID; j++) { + if (m_cuda->ligand.rigid.descendant_map[i][j]) + m_cuda->ligand.rigid.descendant_map[m_cuda->ligand.rigid.parent[i]][j] + = true; + } + } + m_cuda->m_num_movable_atoms = m.num_movable_atoms(); + + DEBUG_PRINTF("copy m_cuda to gpu, size=%lu\n", sizeof(m_cuda_t)); + checkCUDA(cudaMemcpyAsync(m_cuda_gpu + l, m_cuda, sizeof(m_cuda_t), cudaMemcpyHostToDevice, curr_stream)); + + /* Prepare rand_molec_struc data */ + int lig_torsion_size = tmp.c.ligands[0].torsions.size(); + DEBUG_PRINTF("lig_torsion_size=%d\n", lig_torsion_size); + int flex_torsion_size; + if (tmp.c.flex.size() != 0) + flex_torsion_size = tmp.c.flex[0].torsions.size(); + else + flex_torsion_size = 0; + // std::vector uniform_data; + // uniform_data.resize(thread); + + for (int i = 0; i < threads_per_ligand; ++i) { + if (!local_only) { + tmp.c.randomize(corner1, corner2, + generator); // generate a random structure, + // can move to GPU if necessary + } + for (int j = 0; j < 3; j++) + rand_molec_struc_tmp->position[j] = tmp.c.ligands[0].rigid.position[j]; + assert(lig_torsion_size <= MAX_NUM_OF_LIG_TORSION); + for (int j = 0; j < lig_torsion_size; j++) + rand_molec_struc_tmp->lig_torsion[j] + = tmp.c.ligands[0].torsions[j]; // Only support one ligand + assert(flex_torsion_size <= MAX_NUM_OF_FLEX_TORSION); + for (int j = 0; j < flex_torsion_size; j++) + rand_molec_struc_tmp->flex_torsion[j] + = tmp.c.flex[0].torsions[j]; // Only support one flex + + rand_molec_struc_tmp->orientation[0] + = (float)tmp.c.ligands[0].rigid.orientation.R_component_1(); + rand_molec_struc_tmp->orientation[1] + = (float)tmp.c.ligands[0].rigid.orientation.R_component_2(); + rand_molec_struc_tmp->orientation[2] + = (float)tmp.c.ligands[0].rigid.orientation.R_component_3(); + rand_molec_struc_tmp->orientation[3] + = (float)tmp.c.ligands[0].rigid.orientation.R_component_4(); + + rand_molec_struc_tmp->lig_torsion_size = lig_torsion_size; + + float *rand_molec_struc_gpu_tmp + = rand_molec_struc_gpu + + (l * threads_per_ligand + i) * SIZE_OF_MOLEC_STRUC / sizeof(float); + checkCUDA(cudaMemcpyAsync(rand_molec_struc_gpu_tmp, rand_molec_struc_tmp, + SIZE_OF_MOLEC_STRUC, cudaMemcpyHostToDevice, curr_stream)); + } + + /* Preparing p related data */ + DEBUG_PRINTF("Preaparing p related data\n"); // debug + + // copy pointer instead of data + p_cuda->m_cutoff_sqr = p.m_cutoff_sqr; + p_cuda->factor = p.m_factor; + p_cuda->n = p.m_n; + p_cuda->m_data_size = p.m_data.m_data.size(); + checkCUDA(cudaMemcpyAsync(p_cuda_gpu + l, p_cuda, sizeof(p_cuda_t), cudaMemcpyHostToDevice, curr_stream)); + checkCUDA(cudaMemcpyAsync(&(p_cuda_gpu[l].m_data), &(m_data_list_gpu[l].p_data), + sizeof(p_m_data_cuda_t *), + cudaMemcpyHostToDevice, curr_stream)); // check if fl == float + } + } + + /* Prepare data only concerns rigid receptor */ + + // Preparing igrid related data + DEBUG_PRINTF("Preparing ig related data\n"); // debug + + bool multi_bias = (bias_batch_list.size() == num_of_ligands); + if (multi_bias) { + // multi bias mode + std::cout << "with multi bias "; + + checkCUDA(cudaMalloc(&ig_cuda_gpu, ig_cuda_size * num_of_ligands)); + checkCUDA(cudaMemsetAsync(ig_cuda_gpu, 0, ig_cuda_size * num_of_ligands, curr_stream)); + for (int l = 0; l < num_of_ligands; ++l) { + if (ig.get_atu() == atom_type::XS) { + cache ig_tmp(ig.get_gd(), ig.get_slope()); + ig_tmp.m_grids = ig.get_grids(); + // // debug + // if (l == 1){ + // std::cout << "writing original grid map\n"; + // ig_tmp.write(std::string("./ori"), szv(1,0)); + // } + ig_tmp.compute_bias(m_gpu[l], bias_batch_list[l]); + // // debug + // std::cout << "writing bias\n"; + // ig_tmp.write(std::string("./")+std::to_string(l), szv(1,0)); + ig_cuda_ptr->atu = ig.get_atu(); // atu + DEBUG_PRINTF("ig_cuda_ptr->atu=%d\n", ig_cuda_ptr->atu); + ig_cuda_ptr->slope = ig.get_slope(); // slope + std::vector tmp_grids = ig.get_grids(); + int grid_size = tmp_grids.size(); + DEBUG_PRINTF("ig.size()=%d, GRIDS_SIZE=%d, should be 33\n", grid_size, GRIDS_SIZE); + + for (int i = 0; i < grid_size; i++) { + // DEBUG_PRINTF("i=%d\n",i); //debug + for (int j = 0; j < 3; j++) { + ig_cuda_ptr->grids[i].m_init[j] = tmp_grids[i].m_init[j]; + ig_cuda_ptr->grids[i].m_factor[j] = tmp_grids[i].m_factor[j]; + ig_cuda_ptr->grids[i].m_dim_fl_minus_1[j] + = tmp_grids[i].m_dim_fl_minus_1[j]; + ig_cuda_ptr->grids[i].m_factor_inv[j] = tmp_grids[i].m_factor_inv[j]; + } + if (tmp_grids[i].m_data.dim0() != 0) { + ig_cuda_ptr->grids[i].m_i = tmp_grids[i].m_data.dim0(); + assert(MAX_NUM_OF_GRID_MI >= ig_cuda_ptr->grids[i].m_i); + ig_cuda_ptr->grids[i].m_j = tmp_grids[i].m_data.dim1(); + assert(MAX_NUM_OF_GRID_MJ >= ig_cuda_ptr->grids[i].m_j); + ig_cuda_ptr->grids[i].m_k = tmp_grids[i].m_data.dim2(); + assert(MAX_NUM_OF_GRID_MK >= ig_cuda_ptr->grids[i].m_k); + + assert(tmp_grids[i].m_data.m_data.size() + == ig_cuda_ptr->grids[i].m_i * ig_cuda_ptr->grids[i].m_j + * ig_cuda_ptr->grids[i].m_k); + assert(tmp_grids[i].m_data.m_data.size() <= MAX_NUM_OF_GRID_POINT); + memcpy(ig_cuda_ptr->grids[i].m_data, tmp_grids[i].m_data.m_data.data(), + tmp_grids[i].m_data.m_data.size() * sizeof(fl)); + } else { + ig_cuda_ptr->grids[i].m_i = 0; + ig_cuda_ptr->grids[i].m_j = 0; + ig_cuda_ptr->grids[i].m_k = 0; + } + } + } else { + ad4cache ig_tmp(ig.get_slope()); + ig_tmp.m_grids = ig.get_grids(); + // // debug + // if (l == 1){ + // std::cout << "writing original grid map\n"; + // ig_tmp.write(std::string("./ori"), szv(1,0)); + // } + ig_tmp.set_bias(bias_batch_list[l]); + // // debug + // std::cout << "writing bias\n"; + // ig_tmp.write(std::string("./")+std::to_string(l), szv(1,0)); + ig_cuda_ptr->atu = ig.get_atu(); // atu + DEBUG_PRINTF("ig_cuda_ptr->atu=%d\n", ig_cuda_ptr->atu); + ig_cuda_ptr->slope = ig.get_slope(); // slope + std::vector tmp_grids = ig.get_grids(); + int grid_size = tmp_grids.size(); + DEBUG_PRINTF("ig.size()=%d, GRIDS_SIZE=%d, should be 33\n", grid_size, GRIDS_SIZE); + + for (int i = 0; i < grid_size; i++) { + // DEBUG_PRINTF("i=%d\n",i); //debug + for (int j = 0; j < 3; j++) { + ig_cuda_ptr->grids[i].m_init[j] = tmp_grids[i].m_init[j]; + ig_cuda_ptr->grids[i].m_factor[j] = tmp_grids[i].m_factor[j]; + ig_cuda_ptr->grids[i].m_dim_fl_minus_1[j] + = tmp_grids[i].m_dim_fl_minus_1[j]; + ig_cuda_ptr->grids[i].m_factor_inv[j] = tmp_grids[i].m_factor_inv[j]; + } + if (tmp_grids[i].m_data.dim0() != 0) { + ig_cuda_ptr->grids[i].m_i = tmp_grids[i].m_data.dim0(); + assert(MAX_NUM_OF_GRID_MI >= ig_cuda_ptr->grids[i].m_i); + ig_cuda_ptr->grids[i].m_j = tmp_grids[i].m_data.dim1(); + assert(MAX_NUM_OF_GRID_MJ >= ig_cuda_ptr->grids[i].m_j); + ig_cuda_ptr->grids[i].m_k = tmp_grids[i].m_data.dim2(); + assert(MAX_NUM_OF_GRID_MK >= ig_cuda_ptr->grids[i].m_k); + + assert(tmp_grids[i].m_data.m_data.size() + == ig_cuda_ptr->grids[i].m_i * ig_cuda_ptr->grids[i].m_j + * ig_cuda_ptr->grids[i].m_k); + memcpy(ig_cuda_ptr->grids[i].m_data, tmp_grids[i].m_data.m_data.data(), + tmp_grids[i].m_data.m_data.size() * sizeof(fl)); + } else { + ig_cuda_ptr->grids[i].m_i = 0; + ig_cuda_ptr->grids[i].m_j = 0; + ig_cuda_ptr->grids[i].m_k = 0; + } + } + } + + checkCUDA( + cudaMemcpyAsync(ig_cuda_gpu + l, ig_cuda_ptr, ig_cuda_size, cudaMemcpyHostToDevice, curr_stream)); + } + std::cout << "set\n"; + } else { + ig_cuda_ptr->atu = ig.get_atu(); // atu + DEBUG_PRINTF("ig_cuda_ptr->atu=%d\n", ig_cuda_ptr->atu); + ig_cuda_ptr->slope = ig.get_slope(); // slope + std::vector tmp_grids = ig.get_grids(); + int grid_size = tmp_grids.size(); + DEBUG_PRINTF("ig.size()=%d, GRIDS_SIZE=%d, should be 33\n", grid_size, GRIDS_SIZE); + + for (int i = 0; i < grid_size; i++) { + // DEBUG_PRINTF("i=%d\n",i); //debug + for (int j = 0; j < 3; j++) { + ig_cuda_ptr->grids[i].m_init[j] = tmp_grids[i].m_init[j]; + ig_cuda_ptr->grids[i].m_factor[j] = tmp_grids[i].m_factor[j]; + ig_cuda_ptr->grids[i].m_dim_fl_minus_1[j] = tmp_grids[i].m_dim_fl_minus_1[j]; + ig_cuda_ptr->grids[i].m_factor_inv[j] = tmp_grids[i].m_factor_inv[j]; + } + if (tmp_grids[i].m_data.dim0() != 0) { + ig_cuda_ptr->grids[i].m_i = tmp_grids[i].m_data.dim0(); + assert(MAX_NUM_OF_GRID_MI >= ig_cuda_ptr->grids[i].m_i); + ig_cuda_ptr->grids[i].m_j = tmp_grids[i].m_data.dim1(); + assert(MAX_NUM_OF_GRID_MJ >= ig_cuda_ptr->grids[i].m_j); + ig_cuda_ptr->grids[i].m_k = tmp_grids[i].m_data.dim2(); + assert(MAX_NUM_OF_GRID_MK >= ig_cuda_ptr->grids[i].m_k); + + assert(tmp_grids[i].m_data.m_data.size() + == ig_cuda_ptr->grids[i].m_i * ig_cuda_ptr->grids[i].m_j + * ig_cuda_ptr->grids[i].m_k); + memcpy(ig_cuda_ptr->grids[i].m_data, tmp_grids[i].m_data.m_data.data(), + tmp_grids[i].m_data.m_data.size() * sizeof(fl)); + } else { + ig_cuda_ptr->grids[i].m_i = 0; + ig_cuda_ptr->grids[i].m_j = 0; + ig_cuda_ptr->grids[i].m_k = 0; + } + } + DEBUG_PRINTF("memcpy ig_cuda, ig_cuda_size=%lu\n", ig_cuda_size); + checkCUDA(cudaMalloc(&ig_cuda_gpu, ig_cuda_size)); + checkCUDA(cudaMemcpyAsync(ig_cuda_gpu, ig_cuda_ptr, ig_cuda_size, cudaMemcpyHostToDevice, curr_stream)); + } + + float mutation_amplitude_float = static_cast(mutation_amplitude); + + checkCUDA(cudaMemcpyAsync(hunt_cap_gpu, hunt_cap_float, 3 * sizeof(float), cudaMemcpyHostToDevice, curr_stream)); + + checkCUDA(cudaMemcpyAsync(authentic_v_gpu, authentic_v_float, sizeof(authentic_v_float), + cudaMemcpyHostToDevice, curr_stream)); + + /* Add timing */ + cudaEvent_t start, stop; + checkCUDA(cudaEventCreate(&start)); + checkCUDA(cudaEventCreate(&stop)); + checkCUDA(cudaEventRecord(start, curr_stream)); + + /* Launch kernel */ + DEBUG_PRINTF("launch kernel, global_steps=%d, thread=%d, num_of_ligands=%d\n", global_steps, + thread, num_of_ligands); + + output_type_cuda_t *results_aux; + checkCUDA(cudaMalloc(&results_aux, 5 * thread * sizeof(output_type_cuda_t))); + checkCUDA(cudaMemsetAsync(results_aux, 0, 5 * thread * sizeof(output_type_cuda_t), curr_stream)); + change_cuda_t *change_aux; + checkCUDA(cudaMalloc(&change_aux, 6 * thread * sizeof(change_cuda_t))); + checkCUDA(cudaMemsetAsync(change_aux, 0, 6 * thread * sizeof(change_cuda_t), curr_stream)); + pot_cuda_t *pot_aux; + checkCUDA(cudaMalloc(&pot_aux, thread * sizeof(pot_cuda_t))); + checkCUDA(cudaMemsetAsync(pot_aux, 0, thread * sizeof(pot_cuda_t), curr_stream)); + + kernel<32><<>>(m_cuda_gpu, ig_cuda_gpu, p_cuda_gpu, rand_molec_struc_gpu, + quasi_newton_par_max_steps, mutation_amplitude_float, states, seed, + epsilon_fl_float, hunt_cap_gpu, authentic_v_gpu, results_gpu, + results_aux, change_aux, pot_aux, h_cuda_global, m_cuda_global, + global_steps, num_of_ligands, threads_per_ligand, multi_bias); + + + // Wait for stream operations to complete + checkCUDA(cudaStreamSynchronize(curr_stream)); + + // Device to Host memcpy of precalculated_byatom, copy back data to p_gpu + p_m_data_cuda_t *p_data; + checkCUDA(cudaMallocHost(&p_data, sizeof(p_m_data_cuda_t) * MAX_P_DATA_M_DATA_SIZE)); + memset(p_data, 0, sizeof(p_m_data_cuda_t) * MAX_P_DATA_M_DATA_SIZE); + output_type_cuda_t *results; + checkCUDA(cudaMallocHost(&results, thread * sizeof(output_type_cuda_t))); + memset(results, 0, thread * sizeof(output_type_cuda_t)); + + for (int l = 0; l < num_of_ligands; ++l) { + // copy data to m_data on CPU, then to p_gpu[l] + int pnum = p_gpu[l].m_data.m_data.size(); + checkCUDA(cudaMemcpy(p_data, m_data_list_gpu[l].p_data, sizeof(p_m_data_cuda_t) * pnum, + cudaMemcpyDeviceToHost)); + checkCUDA(cudaFree(m_data_list_gpu[l].p_data)); // free m_cuda pointers in p_cuda + for (int i = 0; i < pnum; ++i) { + memcpy(&p_gpu[l].m_data.m_data[i].fast[0], p_data[i].fast, sizeof(p_data[i].fast)); + memcpy(&p_gpu[l].m_data.m_data[i].smooth[0], p_data[i].smooth, + sizeof(p_data[i].smooth)); + } + } + // DEBUG_PRINTF("energies about the first ligand on GPU:\n"); + // for (int i = 0;i < 20; ++i){ + // DEBUG_PRINTF("precalculated_byatom.m_data.m_data[%d]: (smooth.first, + // smooth.second, fast) ", i); for (int j = 0;j < FAST_SIZE; ++j){ + // DEBUG_PRINTF("(%f, %f, %f) ", + // p_gpu[0].m_data.m_data[i].smooth[j].first, + // p_gpu[0].m_data.m_data[i].smooth[j].second, + // p_gpu[0].m_data.m_data[i].fast[j]); + // } + // DEBUG_PRINTF("\n"); + // } + + /* Timing output */ + + checkCUDA(cudaEventRecord(stop, curr_stream)); + cudaEventSynchronize(stop); + float msecTotal = 0.0f; + cudaEventElapsedTime(&msecTotal, start, stop); + DEBUG_PRINTF("Time spend on GPU is %f ms\n", msecTotal); + + /* Convert result data. Can be improved by mapping memory + */ + DEBUG_PRINTF("cuda to vina\n"); + + checkCUDA(cudaMemcpy(results, results_gpu, thread * sizeof(output_type_cuda_t), + cudaMemcpyDeviceToHost)); + + std::vector result_vina = cuda_to_vina(results, thread); + + DEBUG_PRINTF("result size=%lu\n", result_vina.size()); + + for (int i = 0; i < thread; ++i) { + add_to_output_container(out_gpu[i / threads_per_ligand], result_vina[i], min_rmsd, + num_saved_mins); + } + for (int i = 0; i < num_of_ligands; ++i) { + DEBUG_PRINTF("output poses size = %lu\n", out_gpu[i].size()); + if (out_gpu[i].size() == 0) continue; + DEBUG_PRINTF("output poses energy from gpu ="); + for (int j = 0; j < out_gpu[i].size(); ++j) DEBUG_PRINTF("%f ", out_gpu[i][j].e); + DEBUG_PRINTF("\n"); + } + + /* Free memory */ + checkCUDA(cudaFree(m_cuda_gpu)); + checkCUDA(cudaFree(ig_cuda_gpu)); + checkCUDA(cudaFree(p_cuda_gpu)); + checkCUDA(cudaFree(rand_molec_struc_gpu)); + checkCUDA(cudaFree(hunt_cap_gpu)); + checkCUDA(cudaFree(authentic_v_gpu)); + checkCUDA(cudaFree(results_gpu)); + checkCUDA(cudaFree(change_aux)); + checkCUDA(cudaFree(results_aux)); + checkCUDA(cudaFree(pot_aux)); + checkCUDA(cudaFree(states)); + checkCUDA(cudaFree(h_cuda_global)); + checkCUDA(cudaFree(m_cuda_global)); + checkCUDA(cudaFreeHost(m_cuda)); + checkCUDA(cudaFreeHost(rand_molec_struc_tmp)); + checkCUDA(cudaFreeHost(ig_cuda_ptr)); + checkCUDA(cudaFreeHost(p_cuda)); + checkCUDA(cudaFreeHost(p_data)); + checkCUDA(cudaFreeHost(results)); + + checkCUDA(cudaEventDestroy(start)); + checkCUDA(cudaEventDestroy(stop)); + checkCUDA(cudaStreamDestroy(curr_stream)); + curr_stream = 0; + + DEBUG_PRINTF("exit monte_carlo\n"); + +} + /* Below based on monte-carlo.cpp */ // #ifdef ENABLE_CUDA @@ -262,15 +860,19 @@ __host__ void monte_carlo::operator()( DEBUG_PRINTF("Allocating CPU memory\n"); // debug m_cuda_t *m_cuda; checkCUDA(cudaMallocHost(&m_cuda, sizeof(m_cuda_t))); + memset(m_cuda, 0, sizeof(m_cuda_t)); output_type_cuda_t *rand_molec_struc_tmp; checkCUDA(cudaMallocHost(&rand_molec_struc_tmp, sizeof(output_type_cuda_t))); + memset(rand_molec_struc_tmp, 0, sizeof(output_type_cuda_t)); ig_cuda_t *ig_cuda_ptr; checkCUDA(cudaMallocHost(&ig_cuda_ptr, sizeof(ig_cuda_t))); + memset(ig_cuda_ptr, 0, sizeof(ig_cuda_t)); p_cuda_t_cpu *p_cuda; checkCUDA(cudaMallocHost(&p_cuda, sizeof(p_cuda_t_cpu))); + memset(p_cuda, 0, sizeof(p_cuda_t_cpu)); /* End CPU allocation */ @@ -288,12 +890,15 @@ __host__ void monte_carlo::operator()( // rand_molec_struc_gpu float *rand_molec_struc_gpu; checkCUDA(cudaMalloc(&rand_molec_struc_gpu, thread * SIZE_OF_MOLEC_STRUC)); + checkCUDA(cudaMemset(rand_molec_struc_gpu, 0, thread * SIZE_OF_MOLEC_STRUC)); + float epsilon_fl_float = static_cast(epsilon_fl); // use cuRand to generate random values on GPU curandStatePhilox4_32_10_t *states; DEBUG_PRINTF("random states size=%lu\n", sizeof(curandStatePhilox4_32_10_t) * thread); checkCUDA(cudaMalloc(&states, sizeof(curandStatePhilox4_32_10_t) * thread)); + checkCUDA(cudaMemset(states, 0, sizeof(curandStatePhilox4_32_10_t) * thread)); // hunt_cap_gpu float *hunt_cap_gpu; @@ -301,14 +906,17 @@ __host__ void monte_carlo::operator()( static_cast(hunt_cap[2])}; checkCUDA(cudaMalloc(&hunt_cap_gpu, 3 * sizeof(float))); + checkCUDA(cudaMemset(hunt_cap_gpu, 0, 3 * sizeof(float))); // Preparing m related data m_cuda_t *m_cuda_gpu; DEBUG_PRINTF("m_cuda_size=%lu", m_cuda_size); checkCUDA(cudaMalloc(&m_cuda_gpu, num_of_ligands * m_cuda_size)); + checkCUDA(cudaMemset(m_cuda_gpu, 0, num_of_ligands * m_cuda_size)); // Preparing p related data p_cuda_t *p_cuda_gpu; checkCUDA(cudaMalloc(&p_cuda_gpu, num_of_ligands * p_cuda_size_gpu)); + checkCUDA(cudaMemset(p_cuda_gpu, 0, num_of_ligands * p_cuda_size_gpu)); DEBUG_PRINTF("p_cuda_gpu=%p\n", p_cuda_gpu); // Preparing ig related data (cache related data) ig_cuda_t *ig_cuda_gpu; @@ -319,15 +927,19 @@ __host__ void monte_carlo::operator()( static_cast(authentic_v[2])}; checkCUDA(cudaMalloc(&authentic_v_gpu, sizeof(authentic_v_float))); + checkCUDA(cudaMemset(authentic_v_gpu, 0, sizeof(authentic_v_float))); // Preparing result data output_type_cuda_t *results_gpu; checkCUDA(cudaMalloc(&results_gpu, thread * sizeof(output_type_cuda_t))); + checkCUDA(cudaMemset(results_gpu, 0, thread * sizeof(output_type_cuda_t))); m_cuda_t *m_cuda_global; checkCUDA(cudaMalloc(&m_cuda_global, thread * sizeof(m_cuda_t))); + checkCUDA(cudaMemset(m_cuda_global, 0, thread * sizeof(m_cuda_t))); matrix_d *h_cuda_global; checkCUDA(cudaMalloc(&h_cuda_global, thread * sizeof(matrix_d))); + checkCUDA(cudaMemset(h_cuda_global, 0, thread * sizeof(matrix_d))); /* End Allocating GPU Memory */ @@ -550,6 +1162,7 @@ __host__ void monte_carlo::operator()( std::cout << "with multi bias "; checkCUDA(cudaMalloc(&ig_cuda_gpu, ig_cuda_size * num_of_ligands)); + checkCUDA(cudaMemset(&ig_cuda_gpu, 0, ig_cuda_size * num_of_ligands)); for (int l = 0; l < num_of_ligands; ++l) { if (ig.get_atu() == atom_type::XS) { cache ig_tmp(ig.get_gd(), ig.get_slope()); @@ -713,10 +1326,13 @@ __host__ void monte_carlo::operator()( output_type_cuda_t *results_aux; checkCUDA(cudaMalloc(&results_aux, 5 * thread * sizeof(output_type_cuda_t))); + checkCUDA(cudaMemset(results_aux, 0, 5 * thread * sizeof(output_type_cuda_t))); change_cuda_t *change_aux; checkCUDA(cudaMalloc(&change_aux, 6 * thread * sizeof(change_cuda_t))); + checkCUDA(cudaMemset(change_aux, 0, 6 * thread * sizeof(change_cuda_t))); pot_cuda_t *pot_aux; checkCUDA(cudaMalloc(&pot_aux, thread * sizeof(pot_cuda_t))); + checkCUDA(cudaMemset(pot_aux, 0, thread * sizeof(pot_cuda_t))); kernel<32><<>>(m_cuda_gpu, ig_cuda_gpu, p_cuda_gpu, rand_molec_struc_gpu, quasi_newton_par_max_steps, mutation_amplitude_float, states, seed, @@ -727,8 +1343,10 @@ __host__ void monte_carlo::operator()( // Device to Host memcpy of precalculated_byatom, copy back data to p_gpu p_m_data_cuda_t *p_data; checkCUDA(cudaMallocHost(&p_data, sizeof(p_m_data_cuda_t) * MAX_P_DATA_M_DATA_SIZE)); + memset(p_data, 0, sizeof(p_m_data_cuda_t) * MAX_P_DATA_M_DATA_SIZE); output_type_cuda_t *results; checkCUDA(cudaMallocHost(&results, thread * sizeof(output_type_cuda_t))); + memset(results, 0, thread * sizeof(output_type_cuda_t)); for (int l = 0; l < num_of_ligands; ++l) { // copy data to m_data on CPU, then to p_gpu[l] diff --git a/unidock/src/lib/monte_carlo.h b/unidock/src/lib/monte_carlo.h index feca0b4..8be77a2 100644 --- a/unidock/src/lib/monte_carlo.h +++ b/unidock/src/lib/monte_carlo.h @@ -63,6 +63,12 @@ struct monte_carlo { const igrid& ig, const vec& corner1, const vec& corner2, rng& generator, int verbosity, unsigned long long seed, std::vector >& bias_batch_list) const; + void mc_stream(std::vector& m, std::vector& out, + std::vector& p, triangular_matrix_cuda_t* m_data_list_gpu, + const igrid& ig, const vec& corner1, const vec& corner2, rng& generator, + int verbosity, unsigned long long seed, + std::vector >& bias_batch_list) const; + std::vector cuda_to_vina(output_type_cuda_t* results_p, int thread) const; }; diff --git a/unidock/src/lib/scoring_function.h b/unidock/src/lib/scoring_function.h index 71b9a58..77c119e 100644 --- a/unidock/src/lib/scoring_function.h +++ b/unidock/src/lib/scoring_function.h @@ -37,7 +37,11 @@ enum scoring_function_choice { SF_VINA, SF_AD42, SF_VINARDO }; class ScoringFunction { public: - ScoringFunction() {} + ScoringFunction() { + m_num_potentials = 0; + m_num_conf_independents = 0; + m_sf_choice = 0; + } ScoringFunction(const scoring_function_choice sf_choice, const flv& weights) { switch (sf_choice) { case SF_VINA: { @@ -81,7 +85,6 @@ class ScoringFunction { break; } default: { - std::cout << "INSIDE everything::everything() sfchoice = " << sf_choice << "\n"; VINA_CHECK(false); break; } @@ -90,7 +93,24 @@ class ScoringFunction { m_num_conf_independents = m_conf_independents.size(); m_weights = weights; }; - ~ScoringFunction() {} + void Destroy() + { + for (auto p : m_potentials) + { + delete p; + } + m_potentials.clear(); + m_num_potentials = 0; + for (auto p : m_conf_independents) + { + delete p; + } + m_conf_independents.clear(); + m_num_conf_independents = 0; + } + ~ScoringFunction() { + Destroy(); + } fl eval(atom& a, atom& b, fl r) const { // intentionally not checking for cutoff fl acc = 0; VINA_FOR(i, m_num_potentials) { acc += m_weights[i] * m_potentials[i]->eval(a, b, r); } diff --git a/unidock/src/lib/vina.cpp b/unidock/src/lib/vina.cpp index 878b323..173acb5 100644 --- a/unidock/src/lib/vina.cpp +++ b/unidock/src/lib/vina.cpp @@ -85,10 +85,10 @@ void Vina::set_receptor(const std::string& rigid_name, const std::string& flex_n // CONDITIONS 4, 5, 6, 7 (rigid_name and flex_name are empty strings per default) if (rigid_name.find("pdbqt") || flex_name.find("pdbqt")) { m_receptor - = parse_receptor_pdbqt(rigid_name, flex_name, m_scoring_function.get_atom_typing()); + = parse_receptor_pdbqt(rigid_name, flex_name, m_scoring_function->get_atom_typing()); } else if (rigid_name.find("pdb") && (!rigid_name.find("pdbqt"))) { m_receptor - = parse_receptor_pdb(rigid_name, flex_name, m_scoring_function.get_atom_typing()); + = parse_receptor_pdb(rigid_name, flex_name, m_scoring_function->get_atom_typing()); } m_model = m_receptor; @@ -106,7 +106,7 @@ void Vina::set_ligand_from_string(const std::string& ligand_string) { exit(EXIT_FAILURE); } - atom_type::t atom_typing = m_scoring_function.get_atom_typing(); + atom_type::t atom_typing = m_scoring_function->get_atom_typing(); if (!m_receptor_initialized) { // This situation will happen if we don't need a receptor and we are using affinity maps @@ -122,7 +122,7 @@ void Vina::set_ligand_from_string(const std::string& ligand_string) { m_model.append(parse_ligand_pdbqt_from_string(ligand_string, atom_typing)); // Because we precalculate ligand atoms interactions - precalculate_byatom precalculated_byatom(m_scoring_function, m_model); + precalculate_byatom precalculated_byatom(*m_scoring_function, m_model); // Check that all atom types are in the grid (if initialized) if (m_map_initialized) { @@ -149,7 +149,7 @@ void Vina::set_ligand_from_string(const std::vector& ligand_string) exit(EXIT_FAILURE); } - atom_type::t atom_typing = m_scoring_function.get_atom_typing(); + atom_type::t atom_typing = m_scoring_function->get_atom_typing(); if (!m_receptor_initialized) { // This situation will happen if we don't need a receptor and we are using affinity maps @@ -165,7 +165,7 @@ void Vina::set_ligand_from_string(const std::vector& ligand_string) m_model.append(parse_ligand_pdbqt_from_string(ligand_string[i], atom_typing)); // Because we precalculate ligand atoms interactions - precalculate_byatom precalculated_byatom(m_scoring_function, m_model); + precalculate_byatom precalculated_byatom(*m_scoring_function, m_model); // Check that all atom types are in the grid (if initialized) if (m_map_initialized) { @@ -193,7 +193,7 @@ void Vina::set_ligand_from_string_gpu(const std::vector& ligand_str exit(EXIT_FAILURE); } - atom_type::t atom_typing = m_scoring_function.get_atom_typing(); + atom_type::t atom_typing = m_scoring_function->get_atom_typing(); if (!m_receptor_initialized) { // This situation will happen if we don't need a receptor and we are using affinity maps @@ -210,7 +210,7 @@ void Vina::set_ligand_from_string_gpu(const std::vector& ligand_str for (int i = 0; i < ligand_string.size(); ++i) { m_model_gpu[i].append( parse_ligand_pdbqt_from_string_no_failure(ligand_string[i], atom_typing)); - m_precalculated_byatom_gpu[i].init_without_calculation(m_scoring_function, m_model_gpu[i]); + m_precalculated_byatom_gpu[i].init_without_calculation(*m_scoring_function, m_model_gpu[i]); } // calculate common rs data @@ -219,7 +219,7 @@ void Vina::set_ligand_from_string_gpu(const std::vector& ligand_str // Because we precalculate ligand atoms interactions, which should be done in parallel int precalculate_thread_num = ligand_string.size(); - precalculate_parallel(m_data_list_gpu, m_precalculated_byatom_gpu, m_scoring_function, + precalculate_parallel(m_data_list_gpu, m_precalculated_byatom_gpu, *m_scoring_function, m_model_gpu, common_rs, precalculate_thread_num); VINA_RANGE(i, 0, ligand_string.size()) { @@ -250,7 +250,7 @@ void Vina::set_ligand_from_object_gpu(const std::vector& ligands) { exit(EXIT_FAILURE); } - atom_type::t atom_typing = m_scoring_function.get_atom_typing(); + atom_type::t atom_typing = m_scoring_function->get_atom_typing(); if (!m_receptor_initialized) { // This situation will happen if we don't need a receptor and we are using affinity maps @@ -269,7 +269,7 @@ void Vina::set_ligand_from_object_gpu(const std::vector& ligands) { if (multi_bias) { m_model_gpu[i].bias_list = bias_batch_list[i]; } - m_precalculated_byatom_gpu[i].init_without_calculation(m_scoring_function, m_model_gpu[i]); + m_precalculated_byatom_gpu[i].init_without_calculation(*m_scoring_function, m_model_gpu[i]); } // calculate common rs data @@ -278,7 +278,7 @@ void Vina::set_ligand_from_object_gpu(const std::vector& ligands) { // Because we precalculate ligand atoms interactions, which should be done in parallel int precalculate_thread_num = ligands.size(); - precalculate_parallel(m_data_list_gpu, m_precalculated_byatom_gpu, m_scoring_function, + precalculate_parallel(m_data_list_gpu, m_precalculated_byatom_gpu, *m_scoring_function, m_model_gpu, common_rs, precalculate_thread_num); VINA_RANGE(i, 0, ligands.size()) { @@ -309,7 +309,7 @@ void Vina::set_ligand_from_object(const std::vector& ligands) { exit(EXIT_FAILURE); } - atom_type::t atom_typing = m_scoring_function.get_atom_typing(); + atom_type::t atom_typing = m_scoring_function->get_atom_typing(); if (!m_receptor_initialized) { // This situation will happen if we don't need a receptor and we are using affinity maps @@ -325,7 +325,7 @@ void Vina::set_ligand_from_object(const std::vector& ligands) { m_model.append(ligands[i]); // Because we precalculate ligand atoms interactions - precalculate_byatom precalculated_byatom(m_scoring_function, m_model); + precalculate_byatom precalculated_byatom(*m_scoring_function, m_model); // Check that all atom types are in the grid (if initialized) if (m_map_initialized) { @@ -453,9 +453,8 @@ void Vina::set_ad4_weights(double weight_ad4_vdw, double weight_ad4_hb, double w } void Vina::set_forcefield() { - ScoringFunction scoring_function(m_sf_choice, m_weights); // Store in Vina object - m_scoring_function = scoring_function; + m_scoring_function = std::make_shared(m_sf_choice, m_weights); } std::vector Vina::grid_dimensions_from_ligand(double buffer_size) { @@ -514,7 +513,7 @@ void Vina::compute_vina_maps(double center_x, double center_y, double center_z, vec center(center_x, center_y, center_z); const fl slope = 1e6; // FIXME: too large? used to be 100 szv atom_types; - atom_type::t atom_typing = m_scoring_function.get_atom_typing(); + atom_type::t atom_typing = m_scoring_function->get_atom_typing(); /* Atom types initialization If a ligand was defined before, we only use those present in the ligand @@ -523,7 +522,7 @@ void Vina::compute_vina_maps(double center_x, double center_y, double center_z, if (m_ligand_initialized) atom_types = m_model.get_movable_atom_types(atom_typing); else - atom_types = m_scoring_function.get_atom_types(); + atom_types = m_scoring_function->get_atom_types(); // Grid dimensions VINA_FOR_IN(i, gd) { @@ -540,7 +539,7 @@ void Vina::compute_vina_maps(double center_x, double center_y, double center_z, } // Initialize the scoring function - precalculate precalculated_sf(m_scoring_function); + precalculate precalculated_sf(*m_scoring_function); // Store it now in Vina object because of non_cache m_precalculated_sf = precalculated_sf; @@ -593,7 +592,7 @@ void Vina::load_maps(std::string maps) { // Check that all the affinity map are present for ligands/flex residues (if initialized // already) if (m_ligand_initialized) { - atom_type::t atom_typing = m_scoring_function.get_atom_typing(); + atom_type::t atom_typing = m_scoring_function->get_atom_typing(); szv atom_types = m_model.get_movable_atom_types(atom_typing); if (m_sf_choice == SF_VINA || m_sf_choice == SF_VINARDO) { @@ -615,12 +614,12 @@ void Vina::write_maps(const std::string& map_prefix, const std::string& gpf_file } szv atom_types; - atom_type::t atom_typing = m_scoring_function.get_atom_typing(); + atom_type::t atom_typing = m_scoring_function->get_atom_typing(); if (m_ligand_initialized) atom_types = m_model.get_movable_atom_types(atom_typing); else - atom_types = m_scoring_function.get_atom_types(); + atom_types = m_scoring_function->get_atom_types(); if (m_sf_choice == SF_VINA || m_sf_choice == SF_VINARDO) { doing("Writing Vina maps", m_verbosity, 0); @@ -1201,7 +1200,7 @@ std::vector Vina::score(double intramolecular_energy) { lig_intra = m_model.evali(m_precalculated_byatom, authentic_v); // [2] ligand_i -- ligand_i intra = flex_grids + intra_pairs + lig_intra; // Total - total = m_scoring_function.conf_independent( + total = m_scoring_function->conf_independent( m_model, inter + intra - intramolecular_energy); // we pass intermolecular energy from the best pose @@ -1220,7 +1219,7 @@ std::vector Vina::score(double intramolecular_energy) { lig_intra = m_model.evali(m_precalculated_byatom, authentic_v); // [2] ligand_i -- ligand_i intra = flex_grids + intra_pairs + lig_intra; // Torsion - conf_independent = m_scoring_function.conf_independent( + conf_independent = m_scoring_function->conf_independent( m_model, 0); // [3] we can pass e=0 because we do not modify the energy like in vina // Total total = inter + conf_independent; // (+ intra - intra) @@ -1282,7 +1281,7 @@ std::vector Vina::score_gpu(int i, double intramolecular_energy) { authentic_v); // [2] ligand_i -- ligand_i intra = flex_grids + intra_pairs + lig_intra; // Total - total = m_scoring_function.conf_independent( + total = m_scoring_function->conf_independent( m_model_gpu[i], inter + intra - intramolecular_energy); // we pass intermolecular energy from the best pose @@ -1303,7 +1302,7 @@ std::vector Vina::score_gpu(int i, double intramolecular_energy) { authentic_v); // [2] ligand_i -- ligand_i intra = flex_grids + intra_pairs + lig_intra; // Torsion - conf_independent = m_scoring_function.conf_independent( + conf_independent = m_scoring_function->conf_independent( m_model_gpu[i], 0); // [3] we can pass e=0 because we do not modify the energy like in vina // Total @@ -1656,7 +1655,7 @@ void Vina::global_search(const int exhaustiveness, const int n_poses, const doub void Vina::global_search_gpu(const int exhaustiveness, const int n_poses, const double min_rmsd, const int max_evals, const int max_step, int num_of_ligands, unsigned long long seed, const int refine_step, - const bool local_only) { + const bool local_only, const bool create_new_stream) { // Vina search (Monte-carlo and local optimization) // Check if ff, box and ligand were initialized if (!m_ligand_initialized) { @@ -1717,8 +1716,16 @@ void Vina::global_search_gpu(const int exhaustiveness, const int n_poses, const doing(sstm.str(), m_verbosity, 0); auto start = std::chrono::system_clock::now(); if (m_sf_choice == SF_VINA || m_sf_choice == SF_VINARDO) { - mc(m_model_gpu, poses_gpu, m_precalculated_byatom_gpu, m_data_list_gpu, m_grid, - m_grid.corner1(), m_grid.corner2(), generator, m_verbosity, seed, bias_batch_list); + if (create_new_stream) + { + mc.mc_stream(m_model_gpu, poses_gpu, m_precalculated_byatom_gpu, m_data_list_gpu, m_grid, + m_grid.corner1(), m_grid.corner2(), generator, m_verbosity, seed, bias_batch_list); + } + else + { + mc(m_model_gpu, poses_gpu, m_precalculated_byatom_gpu, m_data_list_gpu, m_grid, + m_grid.corner1(), m_grid.corner2(), generator, m_verbosity, seed, bias_batch_list); + } } else { mc(m_model_gpu, poses_gpu, m_precalculated_byatom_gpu, m_data_list_gpu, m_ad4grid, m_ad4grid.corner1(), m_ad4grid.corner2(), generator, m_verbosity, seed, bias_batch_list); @@ -1864,7 +1871,6 @@ Vina::~Vina() { // scoring function scoring_function_choice m_sf_choice; flv m_weights; - ScoringFunction m_scoring_function; precalculate_byatom m_precalculated_byatom; precalculate m_precalculated_sf; // maps diff --git a/unidock/src/lib/vina.h b/unidock/src/lib/vina.h index cab13d3..2f24f8e 100644 --- a/unidock/src/lib/vina.h +++ b/unidock/src/lib/vina.h @@ -55,6 +55,7 @@ #include "scoring_function.h" #include "precalculate.h" #include "bias.h" +#include #ifdef DEBUG # define DEBUG_PRINTF printf @@ -75,7 +76,6 @@ class Vina { m_no_refine = no_refine; m_progress_callback = progress_callback; gpu = false; - // Look for the number of cpu if (cpu <= 0) { unsigned num_cpus = boost::thread::hardware_concurrency(); @@ -149,7 +149,8 @@ class Vina { const double min_rmsd = 1.0, const int max_evals = 0, const int max_step = 0, int num_of_ligands = 1, unsigned long long seed = 181129, const int refine_step = 5, - const bool local_only = false); + const bool local_only = false, + const bool create_new_stream = false); std::string get_poses(int how_many = 9, double energy_range = 3.0); std::string get_sdf_poses(int how_many = 9, double energy_range = 3.0); std::string get_poses_gpu(int ligand_id, int how_many = 9, double energy_range = 3.0); @@ -189,7 +190,7 @@ class Vina { // scoring function scoring_function_choice m_sf_choice; flv m_weights; - ScoringFunction m_scoring_function; + std::shared_ptr m_scoring_function; precalculate_byatom m_precalculated_byatom; precalculate m_precalculated_sf; // gpu scoring function precalculated diff --git a/unidock/src/main/complex_property.h b/unidock/src/main/complex_property.h new file mode 100644 index 0000000..2eab6c2 --- /dev/null +++ b/unidock/src/main/complex_property.h @@ -0,0 +1,111 @@ +/* + + Copyright (c) 2006-2010, The Scripps Research Institute + + Licensed under the Apache License, Version 2.0 (the "License"); + you may not use this file except in compliance with the License. + You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + + Unless required by applicable law or agreed to in writing, software + distributed under the License is distributed on an "AS IS" BASIS, + WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + See the License for the specific language governing permissions and + limitations under the License. + + Author: Dr. Oleg Trott , + The Olson Lab, + The Scripps Research Institute + +*/ +#pragma once + +#include +#include +#include // ligand paths +#include +#include +#include "vina.h" +#include "utils.h" +#include "scoring_function.h" + +#include +#include +#include +#include + +// Holds properties of each ligand complex + +struct complex_property +{ + double center_x = 0; + double center_y = 0; + double center_z = 0; + double box_x = 0; + double box_y = 0; + double box_z = 0; + std::string protein_name; + std::string ligand_name; + complex_property(double x, double y, double z, + double box_x, double box_y, double box_z, + std::string protein_name, std::string ligand_name): + center_x(x), + center_y(y), + center_z(z), + box_x(box_x), + box_y(box_y), + box_z(box_z), + protein_name(protein_name), + ligand_name(ligand_name){}; + complex_property(){}; +}; + +// Holds properties of all ligand complexs + +struct complex_property_holder +{ + int max_count; + complex_property* m_properties; + complex_property_holder(int N): + max_count(N), + m_properties(nullptr) + { + m_properties = new complex_property[N]; + } + ~complex_property_holder() + { + delete [] m_properties; + m_properties = nullptr; + } + complex_property* get_end() + { + return &m_properties[max_count]; + } + + struct complex_property_iterator + { + using iterator_category = std::forward_iterator_tag; + using difference_type = std::ptrdiff_t; + using value_type = complex_property; + using pointer = complex_property*; + using reference = complex_property&; + + complex_property_iterator(pointer ptr) : m_ptr(ptr) {} + reference operator*() const { return *m_ptr; } + pointer operator->() { return m_ptr; } + + // Prefix increment + complex_property_iterator& operator++() { m_ptr++; return *this; } + + // Postfix increment + complex_property_iterator operator++(int) { complex_property_iterator tmp = *this; ++(*this); return tmp; } + + friend bool operator== (const complex_property_iterator& a, const complex_property_iterator& b) { return a.m_ptr == b.m_ptr; }; + friend bool operator!= (const complex_property_iterator& a, const complex_property_iterator& b) { return a.m_ptr != b.m_ptr; }; + private: + pointer m_ptr; + }; + complex_property_iterator begin() { return complex_property_iterator(&m_properties[0]); } + complex_property_iterator end() { return complex_property_iterator(get_end()); } +}; \ No newline at end of file diff --git a/unidock/src/main/main.cpp b/unidock/src/main/main.cpp index df45d48..f19a2ab 100644 --- a/unidock/src/main/main.cpp +++ b/unidock/src/main/main.cpp @@ -30,6 +30,7 @@ #include #include +#include "simulation_container.h" struct usage_error : public std::runtime_error { usage_error(const std::string& message) : std::runtime_error(message) {} @@ -163,6 +164,7 @@ bug reporting, license agreements, and more information. \n"; std::string out_maps; std::vector ligand_names; std::string ligand_index; // path to a text file, containing paths to ligands files + int paired_batch_size = 0; std::vector batch_ligand_names; std::vector gpu_batch_ligand_names; // std::vector gpu_batch_ligand_names_sdf; @@ -242,8 +244,10 @@ bug reporting, license agreements, and more information. \n"; "flex", value(&flex_name), "flexible side chains, if any (PDBQT or PDB)")( "ligand", value >(&ligand_names)->multitoken(), "ligand (PDBQT)")("ligand_index", value(&ligand_index), - "file containing paths to ligands (PDBQT or SDF")( - "batch", value >(&batch_ligand_names)->multitoken(), + "file containing paths to ligands (PDBQT or SDF") + ("paired_batch_size",value(&paired_batch_size), + "If > 0, uses batching for one-ligand-one-protein docking, with json config in ligand_index following paired_batching.schema.json") + ("batch", value >(&batch_ligand_names)->multitoken(), "batch ligand (PDBQT)")( "gpu_batch", value >(&gpu_batch_ligand_names)->multitoken(), "gpu batch ligand (PDBQT or SDF)") @@ -474,6 +478,45 @@ bug reporting, license agreements, and more information. \n"; max_step = 40; } + // Use multiple workers for 1:1 docking, and exit + if (paired_batch_size > 0) + { + if (0 == vm.count("ligand_index")){ + std::cout << "ERROR: Paired batch size set, but no config json specified via --ligand_index\n"; + return -1; + } + if (0 == vm.count("size_x") || 0 == vm.count("size_y") || 0 == vm.count("size_z")){ + std::cout << "WARN: Paired batch size set, but size_x/size_y/size_z not specified, using 25\n"; + size_x = size_y = size_z = 25; + } + if (0 == vm.count("dir")) { + std::cout << "ERROR: Need to specify an output directory for batch mode.\n"; + return -1; + } + + std::cout << "Entering paired batch mode\n"; + + std::vector box_size = {size_x, size_y, size_z}; + simulation_container sc(seed, num_modes, refine_step, out_dir, + ligand_index, paired_batch_size, box_size, local_only, max_step, verbosity, exhaustiveness); + + int res = sc.prime(); + if (res <= 0) + { + std::cout << "Error priming [" << res << "]\n"; + return res; + } + + auto start = std::chrono::steady_clock::now(); + + int err = sc.launch(); + + auto end = std::chrono::steady_clock::now(); + auto milliseconds = std::chrono::duration_cast(end - start).count(); + std::cout << "Completed Batched Operations in " << milliseconds << " mS with err = " << err << "\n"; + return err; + } + if (sf_name.compare("vina") == 0 || sf_name.compare("vinardo") == 0) { if (!vm.count("receptor") && !vm.count("maps")) { std::cerr << desc_simple @@ -631,7 +674,7 @@ bug reporting, license agreements, and more information. \n"; std::vector ligands; VINA_FOR_IN(i, ligand_names) { ligands.emplace_back(parse_ligand_from_file_no_failure( - ligand_names[i], v.m_scoring_function.get_atom_typing(), keep_H)); + ligand_names[i], v.m_scoring_function->get_atom_typing(), keep_H)); } v.set_ligand_from_object(ligands); @@ -700,7 +743,7 @@ bug reporting, license agreements, and more information. \n"; VINA_FOR_IN(i, ligand_names) { std::vector ligands; ligands.emplace_back(parse_ligand_from_file_no_failure( - ligand_names[i], v.m_scoring_function.get_atom_typing(), keep_H)); + ligand_names[i], v.m_scoring_function->get_atom_typing(), keep_H)); Vina v1(v); v1.set_ligand_from_object(ligands); std::vector energies; @@ -747,7 +790,7 @@ bug reporting, license agreements, and more information. \n"; ++ligand_count) { auto& ligand = ligand_names[ligand_count]; auto l = parse_ligand_from_file_no_failure( - ligand, v.m_scoring_function.get_atom_typing(), keep_H); + ligand, v.m_scoring_function->get_atom_typing(), keep_H); #pragma omp critical all_ligands.emplace_back(std::make_pair(ligand, l)); } diff --git a/unidock/src/main/paired_batching.schema.json b/unidock/src/main/paired_batching.schema.json new file mode 100644 index 0000000..e66054c --- /dev/null +++ b/unidock/src/main/paired_batching.schema.json @@ -0,0 +1,28 @@ +{ + "$schema": "http://json-schema.org/draft-04/schema#", + "type": "object", + "properties": { + "batch": { + "type": "object", + "properties": { + "protein": { + "type": "string" + }, + "ligand": { + "type": "string" + }, + "ligand_config": { + "type": "string" + } + }, + "required": [ + "protein", + "ligand", + "ligand_config" + ] + } + }, + "required": [ + "batch" + ] + } \ No newline at end of file diff --git a/unidock/src/main/simulation_container.h b/unidock/src/main/simulation_container.h new file mode 100644 index 0000000..00bad90 --- /dev/null +++ b/unidock/src/main/simulation_container.h @@ -0,0 +1,517 @@ +/* + + Copyright (c) 2006-2010, The Scripps Research Institute + + Licensed under the Apache License, Version 2.0 (the "License"); + you may not use this file except in compliance with the License. + You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + + Unless required by applicable law or agreed to in writing, software + distributed under the License is distributed on an "AS IS" BASIS, + WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + See the License for the specific language governing permissions and + limitations under the License. + + Author: Dr. Oleg Trott , + The Olson Lab, + The Scripps Research Institute + +*/ +#pragma once + +#include +#include +#include // ligand paths +#include +#include +#include "vina.h" +#include "utils.h" +#include "scoring_function.h" + +#include +#include +#include +#include +#include + +#include "vina_cuda_worker.h" + +#include +#include + + +// Information about current simulation +struct simulation_container +{ + std::string m_work_dir; + std::string m_input_path; + std::string m_out_phrase; + int m_batch_size; + std::vector m_box_size; + bool m_local_only; + int m_max_limits = 5000; + int m_max_global_steps; + int m_verbosity; + int m_exhaustiveness = 512; + bool m_isGPU; + int m_seed = 5; + int m_num_modes = 9; + int m_refine_steps = 3; + + std::vector m_complex_names; + std::string m_config_json_path; + std::vector m_ligand_paths; + std::vector m_ligand_config_paths; + std::vector m_protein_paths; + complex_property_holder * m_ptr_complex_property_holder; + int m_successful_property_count; + + simulation_container( + int seed, + int num_modes, + int refine_steps, + std::string out_dir, + std::string config_json_path, + int paired_batch_size, + std::vector box_size_xyz, + int local_only, + int max_step, + int verbosity, + int exh): + + m_seed(seed), + m_num_modes(num_modes), + m_refine_steps(refine_steps), + m_work_dir(out_dir), + m_config_json_path(config_json_path), + m_batch_size(paired_batch_size), + m_box_size(box_size_xyz), + m_local_only(local_only), + m_max_global_steps(max_step), + m_verbosity(verbosity), + m_exhaustiveness(exh), + m_isGPU(true), + m_successful_property_count (0) + { + //m_out_phrase = util_random_string(5); + } + ~simulation_container() + { + if (m_ptr_complex_property_holder) + { + delete m_ptr_complex_property_holder; + m_ptr_complex_property_holder = 0; + } + }; + + + std::string util_random_string(std::size_t length) + { + const std::string CHARACTERS = "iamafunnydogthatlaughsindeterministically"; + + std::random_device random_device; + std::mt19937 generator(random_device()); + std::uniform_int_distribution<> distribution(0, CHARACTERS.size() - 1); + + std::string rstring; + + for (std::size_t i = 0; i < length; ++i) + { + rstring += CHARACTERS[distribution(generator)]; + } + + return rstring; + } + + void add_rank_combinations_from_json(std::string filename) + { + int curr_entry_size = 0; + boost::property_tree::ptree tree_root; + boost::property_tree::read_json(filename, tree_root); + + using boost::property_tree::ptree; + ptree::const_iterator end = tree_root.end(); + + for (ptree::const_iterator it = tree_root.begin(); it != end; ++it) { + + m_complex_names.emplace_back(it->first); + + for (ptree::const_iterator it_entries = it->second.begin(); it_entries != it->second.end(); ++it_entries) + { + if (it_entries->first == "ligand") + { + m_ligand_paths.emplace_back(it_entries->second.get_value()); + } + if (it_entries->first == "protein") + { + m_protein_paths.emplace_back(it_entries->second.get_value()); + } + if (it_entries->first == "ligand_config") + { + m_ligand_config_paths.emplace_back(it_entries->second.get_value()); + } + } + curr_entry_size ++; + if (curr_entry_size >= m_max_limits) + { + std::cout << "Limiting number of ranked samples to max limits " << m_max_limits << "\n"; + break; + } + } + } + + std::string trim_eol(std::string line) + { + std::string newString; + + for (char ch : line) + { + if (ch == '\n' || ch == '\r') + continue; + newString += ch; + } + return newString; + } + + int fill_config_from_json(complex_property & cp, std::string path, std::string protein_name, std::string ligand_name) + { + boost::property_tree::ptree tree_root; + boost::property_tree::read_json(path, tree_root); + + // Default to provided box, update if in config file + cp.box_x = m_box_size[0]; + cp.box_y = m_box_size[1]; + cp.box_z = m_box_size[2]; + + try + { + cp.center_x = tree_root.get("center_x"); + cp.center_y = tree_root.get("center_y"); + cp.center_z = tree_root.get("center_z"); + cp.box_x = tree_root.get("size_x"); + cp.box_y = tree_root.get("size_y"); + cp.box_z = tree_root.get("size_z"); + } + catch(...) + { + std::cout << "Error parsing config json " << path << "\n"; + return -1; + } + + cp.protein_name = protein_name; + cp.ligand_name = ligand_name; + + return 0; + } + + int_least32_t fill_config(complex_property & cp, std::string path, std::string protein_name, std::string ligand_name) + { + // Default to provided box, update if in config file + cp.box_x = m_box_size[0]; + cp.box_y = m_box_size[1]; + cp.box_z = m_box_size[2]; + + if (path.empty()) + { + return -1; + } + else + { + std::ifstream ifs(path); + std::string line; + double vals[3]; + int id = 0; + while (std::getline(ifs, line)) + { + std::string trimmed(trim_eol(line)); + int pos = trimmed.find('='); + vals[id] = std::stod(trimmed.substr(pos+1, std::string::npos)); + id ++; + } + + cp.center_x = vals[0]; + cp.center_y = vals[1]; + cp.center_z = vals[2]; + + if (id > 3) + { + cp.box_x = vals[3]; + cp.box_y = vals[4]; + cp.box_z = vals[5]; + } + ifs.close(); + } + + cp.protein_name = protein_name; + cp.ligand_name = ligand_name; + + return 0; + } + + void add_rank_combinations(std::string effective_path) + { + int curr_entry_size = 0; + //search for complex_rank.pdbqt for ranked ligands + for (boost::filesystem::directory_entry& entry : boost::filesystem::recursive_directory_iterator(effective_path)) + { + int pos_rank = entry.path().string().find("_rank"); + int pos_config = entry.path().stem().string().find("_config"); + int pos_pdbqt = entry.path().extension().string().find(".pdbqt"); + + if (pos_rank != std::string::npos && + pos_pdbqt != std::string::npos && + pos_config == std::string::npos) + { + int pos_complex = entry.path().stem().string().find("_rank"); + std::string complex = entry.path().stem().string().substr(0, pos_complex); + m_complex_names.emplace_back(complex); + m_ligand_paths.emplace_back(entry.path()); + m_protein_paths.emplace_back(entry.path().parent_path() / boost::filesystem::path(complex + "_protein.pdbqt")); + m_ligand_config_paths.emplace_back(entry.path().parent_path() / boost::filesystem::path(entry.path().stem().string() + "_config.txt")); + + curr_entry_size ++; + if (curr_entry_size >= m_max_limits) + { + std::cout << "Limiting number of ranked samples to max limits " << m_max_limits << "\n"; + break; + } + } + } + } + void add_combinations(std::string effective_path) + { + int curr_entry_size = 0; + for (boost::filesystem::directory_entry& entry : boost::filesystem::recursive_directory_iterator(effective_path)) + { + int pos = entry.path().string().find("_protein.pdbqt"); + + if (pos != std::string::npos) + { + int pos_complex = entry.path().stem().string().find("_protein"); + std::string complex = entry.path().stem().string().substr(0, pos_complex); + + m_complex_names.emplace_back(complex); + m_protein_paths.emplace_back(entry.path()); + m_ligand_paths.emplace_back(entry.path().parent_path() / boost::filesystem::path(complex + "_ligand.pdbqt")); + m_ligand_config_paths.emplace_back(entry.path().parent_path() / boost::filesystem::path(complex + "_ligand_config.txt")); + + curr_entry_size ++; + if (curr_entry_size >= m_max_limits) + { + std::cout << "Limiting number of samples to max limits " << m_max_limits << "\n"; + break; + } + } + } + } + + void add_combinations(std::vector ligand_names) + { + int curr_entry_size = 0; + for (std::string& path : ligand_names) + { + int pos = path.find("_ligand.pdbqt"); + + if (pos != std::string::npos) + { + int pos_complex = path.find("_ligand"); + std::string complex = path.substr(0, pos_complex); + + m_complex_names.emplace_back(complex); + m_protein_paths.emplace_back(complex + "_protein.pdbqt"); + m_ligand_paths.emplace_back(path); + m_ligand_config_paths.emplace_back(complex + "_ligand_config.txt"); + + curr_entry_size ++; + if (curr_entry_size >= m_max_limits) + { + std::cout << "Limiting number of samples to max limits " << m_max_limits << "\n"; + break; + } + } + } + } + + int prime() + { + if (m_config_json_path.empty()) + { + std::cout << "Found nothing to prime.\n"; + return -1; + } + else + { + try + { + add_rank_combinations_from_json(m_config_json_path); + } + catch(const std::exception& e) + { + std::cerr << e.what() << '\n'; + std::cout << e.what() << '\n'; + return -1; + } + } + + std::cout << "Found " << m_complex_names.size() << " to be primed.\n"; + + m_ptr_complex_property_holder = new complex_property_holder(m_complex_names.size()); + + for (int id = 0;id < m_complex_names.size();id ++) + { + int success_filled = -1; + + complex_property& cp = m_ptr_complex_property_holder->m_properties[m_successful_property_count]; + + if (boost::filesystem::extension(m_ligand_config_paths[id].path().string()) == ".json") + { + try + { + success_filled = fill_config_from_json(cp, m_ligand_config_paths[id].path().string(), m_protein_paths[id].path().string(), m_ligand_paths[id].path().string()); + } + catch(const std::exception& e) + { + std::cout << "Error reading config json " << e.what() << "\n"; + success_filled = -1; + } + } + else + { + success_filled = fill_config(cp, m_ligand_config_paths[id].path().string(), m_protein_paths[id].path().string(), m_ligand_paths[id].path().string()); + } + + if (0 == success_filled) + { + m_successful_property_count ++; + } + } + std::cout << "Filled " << m_successful_property_count << " properties successfully.\n"; + return m_successful_property_count; + } + // Launch simulations + int launch() + { + if (0 == m_successful_property_count) + { + std::cout << "m_successful_property_count = 0\n"; + return -1; + } + int batches = m_successful_property_count/m_batch_size; + std::cout << "Parameters: exh = " << m_exhaustiveness << \ + ", box[0] = " << m_box_size[0] << \ + ", max_eval_steps global = " << m_max_global_steps << \ + ", num_modes = " << m_num_modes << \ + ", refine_steps = " << m_refine_steps << "\n"; + + std::cout << "To do [" << batches << "] batches\n"; + std::cout << "Batched output to " << m_work_dir << "\n"; + + if (!boost::filesystem::exists(m_work_dir)) + { + std::cout << "Creating work dir " << m_work_dir << "\n"; + boost::filesystem::create_directory(m_work_dir); + } + + + std::vector cp; + int total_err_count = 0; + for (int i = 0;i < batches;i ++) + { + for (int curr = 0;curr < m_batch_size;curr ++) + { + int index = i*m_batch_size + curr; + cp.emplace_back(m_ptr_complex_property_holder->m_properties[index]); + std::cout << "Processing " << m_ptr_complex_property_holder->m_properties[index].ligand_name << "\n"; + } + // run + int err_count = batch_dock_with_worker(cp, m_local_only, m_work_dir, m_input_path, m_out_phrase); + std::cout << "Batch [" << i+1 << "/" << batches << "] completed. " << err_count << " errors.\n"; + total_err_count += err_count; + cp.clear(); + } + // Remaining if any + int remaining = m_complex_names.size() - batches * m_batch_size; + if (remaining > 0) + { + for (int i = 0;i < remaining;i ++) + { + int index = i + batches * m_batch_size; + cp.emplace_back(m_ptr_complex_property_holder->m_properties[index]); + } + int err_count = batch_dock_with_worker(cp, m_local_only, m_work_dir, m_input_path, m_out_phrase); + total_err_count += err_count; + cp.clear(); + } + std::cout << "Remaining [" << remaining << "/" << m_complex_names.size() << "] completed.\n" << total_err_count << " Total errors\n"; + + return total_err_count; + }; + + struct err_counter + { + std::atomic err_count; + void update() + { + err_count ++; + } + int get() + { + return err_count; + } + void clear() + { + err_count = 0; + } + }; + err_counter counter; + +// Launches a batch of vcw workers in separate threads +// to perform 1:1 docking. +// Each launch uses CUDA stream for concurrent operation of the batches + + int batch_dock_with_worker( + std::vector props, + bool local_only, + std::string workdir, + std::string input_dir, + std::string out_phrase) + { + std::vector worker_threads; + + counter.clear(); + + for (int i = 0;i < props.size();i ++) + { + worker_threads.emplace_back(std::thread( + [=]() + { + vina_cuda_worker vcw(m_seed, m_num_modes, m_refine_steps, props[i].center_x, props[i].center_y, + props[i].center_z, props[i].protein_name,props[i].ligand_name, + local_only, std::vector{props[i].box_x, props[i].box_y, props[i].box_z}, m_max_global_steps, m_verbosity, + m_exhaustiveness, workdir, input_dir, out_phrase); + try + { + int ret = vcw.launch(); + if (ret) + { + counter.update(); + } + } + catch(const std::exception& e) + { + std::cerr << "Exception processing " << props[i].ligand_name << ", " << e.what() << "\n"; + counter.update(); + } + } + ) + ); + } + for (int i = 0;i < props.size();i ++) + { + worker_threads[i].join(); + } + return counter.get(); + } +}; // simulation_container diff --git a/unidock/src/main/vina_cuda_worker.h b/unidock/src/main/vina_cuda_worker.h new file mode 100644 index 0000000..d2151d7 --- /dev/null +++ b/unidock/src/main/vina_cuda_worker.h @@ -0,0 +1,191 @@ +/* + + Copyright (c) 2006-2010, The Scripps Research Institute + + Licensed under the Apache License, Version 2.0 (the "License"); + you may not use this file except in compliance with the License. + You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + + Unless required by applicable law or agreed to in writing, software + distributed under the License is distributed on an "AS IS" BASIS, + WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + See the License for the specific language governing permissions and + limitations under the License. + + Author: Dr. Oleg Trott , + The Olson Lab, + The Scripps Research Institute + +*/ +#pragma once + +#include +#include +#include // ligand paths +#include +#include + +//#define DEBUG + +#include "vina.h" +#include "utils.h" +#include "scoring_function.h" + +#include +#include +#include +#include + +#include "complex_property.h" +// Use vina sf, and accelerate operations with CUDA streams + +class vina_cuda_worker : public Vina +{ + int exhaustiveness = 512; + int num_modes = 1; + int min_rmsd = 0; + int max_evals = 0; + int max_step = 60; + int seed = 5; + int refine_step = 3; + bool local_only = false; + double energy_range = 3.0; + bool keep_H = true; + std::string sf_name = "vina"; + int cpu = 0; + bool no_refine = false; + double size_x = 25; + double size_y = 25; + double size_z = 25; + double grid_spacing = 0.375; + bool force_even_voxels = false; + // vina weights + double weight_gauss1 = -0.035579; + double weight_gauss2 = -0.005156; + double weight_repulsion = 0.840245; + double weight_hydrophobic = -0.035069; + double weight_hydrogen = -0.587439; + double weight_rot = 0.05846; + // macrocycle closure + double weight_glue = 50.000000; // linear attraction + std::vector gpu_out_name; + std::string workdir; + std::string input_dir; + std::string out_dir; + std::vector batch_ligands; + double center_x; + double center_y; + double center_z; + std::string protein_name; + std::string ligand_name; + void init(std::string out_phrase) + { + out_dir = workdir + "/" + out_phrase; + if (!boost::filesystem::exists(out_dir)) + { + boost::filesystem::create_directory(out_dir); + } + m_seed = seed; + } +public: + vina_cuda_worker( + int seed, + int num_modes, + int refine_steps, + double center_x, + double center_y, + double center_z, + std::string protein_name, + std::string ligand_name, + bool local_only, + std::vector box_size_xyz, + int max_step, + int verbosity, + int exh, + std::string workdir, + std::string input_dir, + std::string out_phrase): + + seed(seed), + num_modes(num_modes), + refine_step(refine_steps), + workdir(workdir), + input_dir(input_dir), + center_x(center_x), + center_y(center_y), + center_z(center_z), + size_x(box_size_xyz[0]), + size_y(box_size_xyz[1]), + size_z(box_size_xyz[2]), + max_step(max_step), + exhaustiveness(exh), + protein_name(protein_name), + ligand_name(ligand_name), + local_only(local_only), + out_dir(out_phrase), + Vina{"vina", 0, seed, verbosity, false, NULL} + { + init(out_phrase); + } + + ~vina_cuda_worker() + { + + } + + + // Performs CUDA Stream based docking of 1 ligand and 1 protein + + int launch() + { + multi_bias = false; + bias_batch_list.clear(); + + set_vina_weights(weight_gauss1, weight_gauss2, weight_repulsion, weight_hydrophobic, + weight_hydrogen, weight_glue, weight_rot); + std::string flex; + std::string rigid(protein_name); + + if (! boost::filesystem::exists( ligand_name ) ) + { + std::cout << "Input ligand file does not exist (" << ligand_name << ")\n"; + return -1; + } + if (! boost::filesystem::exists( rigid ) ) + { + std::cout << "Input (rigid) protein file does not exist (" << rigid << ")\n"; + return -1; + } + + set_receptor(rigid, flex); + + enable_gpu(); + compute_vina_maps(center_x, center_y, center_z, size_x, size_y, size_z, + grid_spacing, force_even_voxels); + + auto parsed_ligand = parse_ligand_from_file_no_failure( + ligand_name, m_scoring_function->get_atom_typing(), keep_H); + batch_ligands.emplace_back(parsed_ligand); + + set_ligand_from_object_gpu(batch_ligands); + + bool create_new_stream = true; + global_search_gpu( exhaustiveness, num_modes, min_rmsd, max_evals, max_step, + 1, (unsigned long long)seed, refine_step, + local_only, create_new_stream); + + std::vector gpu_out_name; + gpu_out_name.push_back( + default_output(get_filename(ligand_name), out_dir)); + write_poses_gpu(gpu_out_name, num_modes, energy_range); + + return 0; + } + + // Protectors + vina_cuda_worker (const vina_cuda_worker&); + vina_cuda_worker& operator=(const vina_cuda_worker&); +}; + diff --git a/unidock/src/rocm/main.cu.hip b/unidock/src/rocm/main.cu.hip index dbf6464..60482fa 100644 --- a/unidock/src/rocm/main.cu.hip +++ b/unidock/src/rocm/main.cu.hip @@ -606,7 +606,7 @@ Thank you!\n"; { auto& ligand=ligand_names[ligand_count]; auto l = parse_ligand_pdbqt_from_file_no_failure( - ligand, v.m_scoring_function.get_atom_typing()); + ligand, v.m_scoring_function->get_atom_typing()); #pragma omp critical all_ligands.emplace_back(std::make_pair(ligand,l)); }