# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb37519 # _entry.id spkb37519 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ALA 2 1 n ALA 3 1 n ARG 4 1 n THR 5 1 n LEU 6 1 n ALA 7 1 n SER 8 1 n ALA 9 1 n LEU 10 1 n VAL 11 1 n LEU 12 1 n THR 13 1 n LEU 14 1 n TRP 15 1 n VAL 16 1 n TRP 17 1 n ALA 18 1 n LEU 19 1 n ALA 20 1 n PRO 21 1 n ALA 22 1 n GLY 23 1 n ALA 24 1 n VAL 25 1 n ASP 26 1 n ALA 27 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-07 21:53:23)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 92.21 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 84.70 1 1 A ALA 2 2 94.86 1 2 A ALA 3 2 97.36 1 3 A ARG 4 2 88.10 1 4 A THR 5 2 96.11 1 5 A LEU 6 2 95.73 1 6 A ALA 7 2 98.24 1 7 A SER 8 2 97.10 1 8 A ALA 9 2 98.42 1 9 A LEU 10 2 96.07 1 10 A VAL 11 2 97.54 1 11 A LEU 12 2 95.57 1 12 A THR 13 2 96.12 1 13 A LEU 14 2 95.16 1 14 A TRP 15 2 90.97 1 15 A VAL 16 2 95.62 1 16 A TRP 17 2 91.67 1 17 A ALA 18 2 95.54 1 18 A LEU 19 2 92.96 1 19 A ALA 20 2 94.62 1 20 A PRO 21 2 92.77 1 21 A ALA 22 2 90.56 1 22 A GLY 23 2 90.34 1 23 A ALA 24 2 88.33 1 24 A VAL 25 2 86.54 1 25 A ASP 26 2 79.68 1 26 A ALA 27 2 77.32 1 27 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ALA . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n TRP . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n TRP . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n VAL . 25 A 25 A 26 1 n ASP . 26 A 26 A 27 1 n ALA . 27 A 27 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -5.455 21.389 7.398 1.00 91.83 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.091 21.944 7.274 1.00 92.76 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.077 20.846 6.929 1.00 94.02 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.976 21.131 6.477 1.00 91.23 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.712 22.615 8.597 1.00 87.22 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.459 23.468 8.442 1.00 80.05 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.082 24.345 9.951 1.00 74.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.615 25.229 9.418 1.00 65.87 1 A 1 ATOM 9 N N . ALA A 1 2 ? -3.424 19.603 7.136 1.00 92.84 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -2.515 18.481 6.851 1.00 95.35 2 A 1 ATOM 11 C C . ALA A 1 2 ? -3.230 17.363 6.092 1.00 96.68 2 A 1 ATOM 12 O O . ALA A 1 2 ? -3.084 16.188 6.413 1.00 96.05 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -1.954 17.958 8.166 1.00 93.38 2 A 1 ATOM 14 N N . ALA A 1 3 ? -4.001 17.722 5.083 1.00 97.29 3 A 1 ATOM 15 C CA . ALA A 1 3 ? -4.735 16.722 4.291 1.00 97.66 3 A 1 ATOM 16 C C . ALA A 1 3 ? -3.761 15.808 3.544 1.00 97.84 3 A 1 ATOM 17 O O . ALA A 1 3 ? -4.004 14.612 3.395 1.00 97.12 3 A 1 ATOM 18 C CB . ALA A 1 3 ? -5.643 17.448 3.304 1.00 96.91 3 A 1 ATOM 19 N N . ARG A 1 4 ? -2.645 16.363 3.082 1.00 98.08 4 A 1 ATOM 20 C CA . ARG A 1 4 ? -1.630 15.575 2.359 1.00 97.96 4 A 1 ATOM 21 C C . ARG A 1 4 ? -1.040 14.498 3.267 1.00 98.25 4 A 1 ATOM 22 O O . ARG A 1 4 ? -0.767 13.386 2.830 1.00 97.83 4 A 1 ATOM 23 C CB . ARG A 1 4 ? -0.525 16.515 1.876 1.00 97.18 4 A 1 ATOM 24 C CG . ARG A 1 4 ? 0.433 15.790 0.941 1.00 90.51 4 A 1 ATOM 25 C CD . ARG A 1 4 ? 1.376 16.801 0.298 1.00 87.33 4 A 1 ATOM 26 N NE . ARG A 1 4 ? 2.127 17.536 1.333 1.00 81.26 4 A 1 ATOM 27 C CZ . ARG A 1 4 ? 3.192 17.071 1.954 1.00 78.35 4 A 1 ATOM 28 N NH1 . ARG A 1 4 ? 3.680 15.881 1.693 1.00 71.27 4 A 1 ATOM 29 N NH2 . ARG A 1 4 ? 3.772 17.822 2.862 1.00 71.10 4 A 1 ATOM 30 N N . THR A 1 5 ? -0.839 14.803 4.524 1.00 98.13 5 A 1 ATOM 31 C CA . THR A 1 5 ? -0.275 13.839 5.489 1.00 98.12 5 A 1 ATOM 32 C C . THR A 1 5 ? -1.202 12.633 5.642 1.00 98.37 5 A 1 ATOM 33 O O . THR A 1 5 ? -0.744 11.490 5.647 1.00 98.14 5 A 1 ATOM 34 C CB . THR A 1 5 ? -0.095 14.517 6.848 1.00 97.57 5 A 1 ATOM 35 O OG1 . THR A 1 5 ? 0.633 15.725 6.671 1.00 92.77 5 A 1 ATOM 36 C CG2 . THR A 1 5 ? 0.684 13.616 7.795 1.00 89.64 5 A 1 ATOM 37 N N . LEU A 1 6 ? -2.502 12.879 5.768 1.00 98.29 6 A 1 ATOM 38 C CA . LEU A 1 6 ? -3.484 11.802 5.931 1.00 98.18 6 A 1 ATOM 39 C C . LEU A 1 6 ? -3.502 10.913 4.684 1.00 98.33 6 A 1 ATOM 40 O O . LEU A 1 6 ? -3.485 9.689 4.773 1.00 98.15 6 A 1 ATOM 41 C CB . LEU A 1 6 ? -4.870 12.414 6.180 1.00 97.91 6 A 1 ATOM 42 C CG . LEU A 1 6 ? -5.727 11.615 7.165 1.00 93.64 6 A 1 ATOM 43 C CD1 . LEU A 1 6 ? -5.929 10.183 6.686 1.00 90.90 6 A 1 ATOM 44 C CD2 . LEU A 1 6 ? -5.075 11.613 8.543 1.00 90.43 6 A 1 ATOM 45 N N . ALA A 1 7 ? -3.532 11.531 3.513 1.00 98.30 7 A 1 ATOM 46 C CA . ALA A 1 7 ? -3.552 10.782 2.250 1.00 98.29 7 A 1 ATOM 47 C C . ALA A 1 7 ? -2.276 9.949 2.096 1.00 98.41 7 A 1 ATOM 48 O O . ALA A 1 7 ? -2.325 8.796 1.673 1.00 98.20 7 A 1 ATOM 49 C CB . ALA A 1 7 ? -3.682 11.768 1.096 1.00 98.00 7 A 1 ATOM 50 N N . SER A 1 8 ? -1.141 10.517 2.448 1.00 98.31 8 A 1 ATOM 51 C CA . SER A 1 8 ? 0.148 9.817 2.345 1.00 98.27 8 A 1 ATOM 52 C C . SER A 1 8 ? 0.178 8.601 3.269 1.00 98.42 8 A 1 ATOM 53 O O . SER A 1 8 ? 0.656 7.533 2.891 1.00 98.29 8 A 1 ATOM 54 C CB . SER A 1 8 ? 1.269 10.780 2.723 1.00 97.86 8 A 1 ATOM 55 O OG . SER A 1 8 ? 2.501 10.259 2.309 1.00 91.42 8 A 1 ATOM 56 N N . ALA A 1 9 ? -0.338 8.751 4.474 1.00 98.47 9 A 1 ATOM 57 C CA . ALA A 1 9 ? -0.368 7.650 5.444 1.00 98.47 9 A 1 ATOM 58 C C . ALA A 1 9 ? -1.247 6.507 4.935 1.00 98.55 9 A 1 ATOM 59 O O . ALA A 1 9 ? -0.889 5.339 5.061 1.00 98.30 9 A 1 ATOM 60 C CB . ALA A 1 9 ? -0.900 8.171 6.775 1.00 98.29 9 A 1 ATOM 61 N N . LEU A 1 10 ? -2.390 6.839 4.356 1.00 98.27 10 A 1 ATOM 62 C CA . LEU A 1 10 ? -3.307 5.818 3.829 1.00 98.18 10 A 1 ATOM 63 C C . LEU A 1 10 ? -2.659 5.055 2.674 1.00 98.32 10 A 1 ATOM 64 O O . LEU A 1 10 ? -2.766 3.834 2.590 1.00 98.37 10 A 1 ATOM 65 C CB . LEU A 1 10 ? -4.593 6.502 3.355 1.00 98.08 10 A 1 ATOM 66 C CG . LEU A 1 10 ? -5.501 6.893 4.530 1.00 92.80 10 A 1 ATOM 67 C CD1 . LEU A 1 10 ? -6.525 7.928 4.082 1.00 91.91 10 A 1 ATOM 68 C CD2 . LEU A 1 10 ? -6.226 5.654 5.067 1.00 92.66 10 A 1 ATOM 69 N N . VAL A 1 11 ? -1.983 5.756 1.786 1.00 98.07 11 A 1 ATOM 70 C CA . VAL A 1 11 ? -1.316 5.122 0.638 1.00 97.97 11 A 1 ATOM 71 C C . VAL A 1 11 ? -0.222 4.172 1.118 1.00 97.91 11 A 1 ATOM 72 O O . VAL A 1 11 ? -0.122 3.038 0.652 1.00 97.70 11 A 1 ATOM 73 C CB . VAL A 1 11 ? -0.721 6.200 -0.278 1.00 97.71 11 A 1 ATOM 74 C CG1 . VAL A 1 11 ? 0.137 5.565 -1.369 1.00 96.81 11 A 1 ATOM 75 C CG2 . VAL A 1 11 ? -1.845 7.009 -0.918 1.00 96.64 11 A 1 ATOM 76 N N . LEU A 1 12 ? 0.599 4.620 2.049 1.00 97.82 12 A 1 ATOM 77 C CA . LEU A 1 12 ? 1.691 3.791 2.575 1.00 97.64 12 A 1 ATOM 78 C C . LEU A 1 12 ? 1.137 2.560 3.289 1.00 97.79 12 A 1 ATOM 79 O O . LEU A 1 12 ? 1.670 1.463 3.148 1.00 97.83 12 A 1 ATOM 80 C CB . LEU A 1 12 ? 2.522 4.632 3.548 1.00 97.45 12 A 1 ATOM 81 C CG . LEU A 1 12 ? 3.471 5.582 2.812 1.00 91.73 12 A 1 ATOM 82 C CD1 . LEU A 1 12 ? 3.949 6.681 3.753 1.00 92.13 12 A 1 ATOM 83 C CD2 . LEU A 1 12 ? 4.682 4.800 2.293 1.00 92.16 12 A 1 ATOM 84 N N . THR A 1 13 ? 0.075 2.729 4.041 1.00 97.42 13 A 1 ATOM 85 C CA . THR A 1 13 ? -0.537 1.609 4.773 1.00 97.22 13 A 1 ATOM 86 C C . THR A 1 13 ? -1.049 0.550 3.798 1.00 97.37 13 A 1 ATOM 87 O O . THR A 1 13 ? -0.815 -0.642 3.984 1.00 96.84 13 A 1 ATOM 88 C CB . THR A 1 13 ? -1.698 2.128 5.627 1.00 96.85 13 A 1 ATOM 89 O OG1 . THR A 1 13 ? -1.215 3.132 6.504 1.00 94.57 13 A 1 ATOM 90 C CG2 . THR A 1 13 ? -2.289 1.002 6.472 1.00 92.59 13 A 1 ATOM 91 N N . LEU A 1 14 ? -1.740 0.973 2.753 1.00 96.97 14 A 1 ATOM 92 C CA . LEU A 1 14 ? -2.277 0.037 1.755 1.00 96.78 14 A 1 ATOM 93 C C . LEU A 1 14 ? -1.139 -0.676 1.024 1.00 96.80 14 A 1 ATOM 94 O O . LEU A 1 14 ? -1.220 -1.870 0.755 1.00 96.61 14 A 1 ATOM 95 C CB . LEU A 1 14 ? -3.137 0.816 0.757 1.00 96.81 14 A 1 ATOM 96 C CG . LEU A 1 14 ? -4.506 1.171 1.345 1.00 93.79 14 A 1 ATOM 97 C CD1 . LEU A 1 14 ? -5.156 2.280 0.525 1.00 91.65 14 A 1 ATOM 98 C CD2 . LEU A 1 14 ? -5.412 -0.064 1.342 1.00 91.83 14 A 1 ATOM 99 N N . TRP A 1 15 ? -0.078 0.030 0.711 1.00 96.00 15 A 1 ATOM 100 C CA . TRP A 1 15 ? 1.072 -0.559 0.017 1.00 95.73 15 A 1 ATOM 101 C C . TRP A 1 15 ? 1.727 -1.630 0.885 1.00 96.19 15 A 1 ATOM 102 O O . TRP A 1 15 ? 2.034 -2.719 0.409 1.00 95.90 15 A 1 ATOM 103 C CB . TRP A 1 15 ? 2.077 0.545 -0.309 1.00 95.37 15 A 1 ATOM 104 C CG . TRP A 1 15 ? 2.004 0.949 -1.745 1.00 93.06 15 A 1 ATOM 105 C CD1 . TRP A 1 15 ? 1.164 1.866 -2.284 1.00 86.79 15 A 1 ATOM 106 C CD2 . TRP A 1 15 ? 2.799 0.432 -2.833 1.00 89.93 15 A 1 ATOM 107 N NE1 . TRP A 1 15 ? 1.383 1.951 -3.641 1.00 87.35 15 A 1 ATOM 108 C CE2 . TRP A 1 15 ? 2.383 1.086 -4.015 1.00 89.75 15 A 1 ATOM 109 C CE3 . TRP A 1 15 ? 3.825 -0.522 -2.923 1.00 88.16 15 A 1 ATOM 110 C CZ2 . TRP A 1 15 ? 2.958 0.811 -5.259 1.00 88.50 15 A 1 ATOM 111 C CZ3 . TRP A 1 15 ? 4.402 -0.796 -4.158 1.00 84.73 15 A 1 ATOM 112 C CH2 . TRP A 1 15 ? 3.968 -0.137 -5.317 1.00 86.18 15 A 1 ATOM 113 N N . VAL A 1 16 ? 1.935 -1.335 2.149 1.00 96.29 16 A 1 ATOM 114 C CA . VAL A 1 16 ? 2.546 -2.297 3.078 1.00 96.00 16 A 1 ATOM 115 C C . VAL A 1 16 ? 1.636 -3.514 3.243 1.00 95.97 16 A 1 ATOM 116 O O . VAL A 1 16 ? 2.106 -4.650 3.248 1.00 95.37 16 A 1 ATOM 117 C CB . VAL A 1 16 ? 2.791 -1.628 4.436 1.00 95.75 16 A 1 ATOM 118 C CG1 . VAL A 1 16 ? 3.265 -2.654 5.459 1.00 95.06 16 A 1 ATOM 119 C CG2 . VAL A 1 16 ? 3.842 -0.535 4.295 1.00 94.87 16 A 1 ATOM 120 N N . TRP A 1 17 ? 0.346 -3.294 3.379 1.00 96.01 17 A 1 ATOM 121 C CA . TRP A 1 17 ? -0.614 -4.392 3.548 1.00 95.67 17 A 1 ATOM 122 C C . TRP A 1 17 ? -0.643 -5.292 2.315 1.00 96.19 17 A 1 ATOM 123 O O . TRP A 1 17 ? -0.828 -6.495 2.427 1.00 95.76 17 A 1 ATOM 124 C CB . TRP A 1 17 ? -2.004 -3.803 3.798 1.00 95.25 17 A 1 ATOM 125 C CG . TRP A 1 17 ? -2.393 -3.882 5.240 1.00 93.41 17 A 1 ATOM 126 C CD1 . TRP A 1 17 ? -1.716 -3.357 6.292 1.00 88.71 17 A 1 ATOM 127 C CD2 . TRP A 1 17 ? -3.559 -4.536 5.793 1.00 91.40 17 A 1 ATOM 128 N NE1 . TRP A 1 17 ? -2.374 -3.642 7.460 1.00 88.92 17 A 1 ATOM 129 C CE2 . TRP A 1 17 ? -3.520 -4.364 7.194 1.00 90.60 17 A 1 ATOM 130 C CE3 . TRP A 1 17 ? -4.634 -5.246 5.240 1.00 89.15 17 A 1 ATOM 131 C CZ2 . TRP A 1 17 ? -4.507 -4.878 8.034 1.00 89.40 17 A 1 ATOM 132 C CZ3 . TRP A 1 17 ? -5.622 -5.761 6.073 1.00 85.91 17 A 1 ATOM 133 C CH2 . TRP A 1 17 ? -5.556 -5.580 7.463 1.00 87.07 17 A 1 ATOM 134 N N . ALA A 1 18 ? -0.451 -4.729 1.137 1.00 96.05 18 A 1 ATOM 135 C CA . ALA A 1 18 ? -0.473 -5.503 -0.108 1.00 95.71 18 A 1 ATOM 136 C C . ALA A 1 18 ? 0.861 -6.212 -0.363 1.00 96.18 18 A 1 ATOM 137 O O . ALA A 1 18 ? 0.887 -7.293 -0.946 1.00 94.83 18 A 1 ATOM 138 C CB . ALA A 1 18 ? -0.799 -4.568 -1.267 1.00 94.93 18 A 1 ATOM 139 N N . LEU A 1 19 ? 1.967 -5.625 0.057 1.00 95.95 19 A 1 ATOM 140 C CA . LEU A 1 19 ? 3.300 -6.205 -0.170 1.00 95.66 19 A 1 ATOM 141 C C . LEU A 1 19 ? 3.739 -7.114 0.976 1.00 95.82 19 A 1 ATOM 142 O O . LEU A 1 19 ? 4.442 -8.091 0.746 1.00 94.54 19 A 1 ATOM 143 C CB . LEU A 1 19 ? 4.308 -5.063 -0.338 1.00 95.03 19 A 1 ATOM 144 C CG . LEU A 1 19 ? 4.091 -4.288 -1.637 1.00 91.18 19 A 1 ATOM 145 C CD1 . LEU A 1 19 ? 4.778 -2.933 -1.560 1.00 88.43 19 A 1 ATOM 146 C CD2 . LEU A 1 19 ? 4.659 -5.083 -2.815 1.00 87.03 19 A 1 ATOM 147 N N . ALA A 1 20 ? 3.354 -6.808 2.200 1.00 95.63 20 A 1 ATOM 148 C CA . ALA A 1 20 ? 3.746 -7.607 3.368 1.00 94.95 20 A 1 ATOM 149 C C . ALA A 1 20 ? 3.363 -9.083 3.213 1.00 95.24 20 A 1 ATOM 150 O O . ALA A 1 20 ? 4.203 -9.958 3.415 1.00 93.66 20 A 1 ATOM 151 C CB . ALA A 1 20 ? 3.125 -7.016 4.628 1.00 93.64 20 A 1 ATOM 152 N N . PRO A 1 21 ? 2.117 -9.396 2.849 1.00 94.87 21 A 1 ATOM 153 C CA . PRO A 1 21 ? 1.678 -10.789 2.699 1.00 94.13 21 A 1 ATOM 154 C C . PRO A 1 21 ? 2.046 -11.378 1.338 1.00 93.77 21 A 1 ATOM 155 O O . PRO A 1 21 ? 1.420 -12.322 0.875 1.00 89.81 21 A 1 ATOM 156 C CB . PRO A 1 21 ? 0.156 -10.690 2.859 1.00 92.21 21 A 1 ATOM 157 C CG . PRO A 1 21 ? -0.177 -9.341 2.312 1.00 90.90 21 A 1 ATOM 158 C CD . PRO A 1 21 ? 1.012 -8.456 2.660 1.00 93.73 21 A 1 ATOM 159 N N . ALA A 1 22 ? 3.070 -10.862 0.694 1.00 92.26 22 A 1 ATOM 160 C CA . ALA A 1 22 ? 3.515 -11.354 -0.620 1.00 91.46 22 A 1 ATOM 161 C C . ALA A 1 22 ? 2.395 -11.270 -1.651 1.00 91.87 22 A 1 ATOM 162 O O . ALA A 1 22 ? 2.028 -12.267 -2.277 1.00 87.82 22 A 1 ATOM 163 C CB . ALA A 1 22 ? 4.009 -12.791 -0.472 1.00 89.38 22 A 1 ATOM 164 N N . GLY A 1 23 ? 1.849 -10.080 -1.827 1.00 91.44 23 A 1 ATOM 165 C CA . GLY A 1 23 ? 0.766 -9.885 -2.792 1.00 90.11 23 A 1 ATOM 166 C C . GLY A 1 23 ? 1.295 -9.538 -4.170 1.00 91.14 23 A 1 ATOM 167 O O . GLY A 1 23 ? 0.687 -9.885 -5.178 1.00 88.68 23 A 1 ATOM 168 N N . ALA A 1 24 ? 2.440 -8.858 -4.235 1.00 89.23 24 A 1 ATOM 169 C CA . ALA A 1 24 ? 3.047 -8.462 -5.512 1.00 89.04 24 A 1 ATOM 170 C C . ALA A 1 24 ? 4.485 -8.000 -5.303 1.00 89.89 24 A 1 ATOM 171 O O . ALA A 1 24 ? 4.918 -6.994 -5.862 1.00 86.49 24 A 1 ATOM 172 C CB . ALA A 1 24 ? 2.213 -7.346 -6.128 1.00 87.00 24 A 1 ATOM 173 N N . VAL A 1 25 ? 5.232 -8.735 -4.495 1.00 89.81 25 A 1 ATOM 174 C CA . VAL A 1 25 ? 6.627 -8.374 -4.212 1.00 89.92 25 A 1 ATOM 175 C C . VAL A 1 25 ? 7.487 -8.500 -5.466 1.00 90.33 25 A 1 ATOM 176 O O . VAL A 1 25 ? 7.491 -9.531 -6.134 1.00 87.16 25 A 1 ATOM 177 C CB . VAL A 1 25 ? 7.180 -9.280 -3.103 1.00 87.44 25 A 1 ATOM 178 C CG1 . VAL A 1 25 ? 7.244 -10.735 -3.561 1.00 80.96 25 A 1 ATOM 179 C CG2 . VAL A 1 25 ? 8.566 -8.794 -2.695 1.00 80.17 25 A 1 ATOM 180 N N . ASP A 1 26 ? 8.214 -7.442 -5.786 1.00 85.74 26 A 1 ATOM 181 C CA . ASP A 1 26 ? 9.091 -7.432 -6.963 1.00 85.16 26 A 1 ATOM 182 C C . ASP A 1 26 ? 10.499 -6.984 -6.578 1.00 85.59 26 A 1 ATOM 183 O O . ASP A 1 26 ? 11.244 -6.458 -7.401 1.00 81.68 26 A 1 ATOM 184 C CB . ASP A 1 26 ? 8.502 -6.482 -8.017 1.00 81.07 26 A 1 ATOM 185 C CG . ASP A 1 26 ? 7.662 -7.230 -9.027 1.00 75.71 26 A 1 ATOM 186 O OD1 . ASP A 1 26 ? 8.201 -8.137 -9.682 1.00 70.95 26 A 1 ATOM 187 O OD2 . ASP A 1 26 ? 6.477 -6.905 -9.177 1.00 71.57 26 A 1 ATOM 188 N N . ALA A 1 27 ? 10.862 -7.209 -5.317 1.00 82.96 27 A 1 ATOM 189 C CA . ALA A 1 27 ? 12.187 -6.813 -4.822 1.00 82.20 27 A 1 ATOM 190 C C . ALA A 1 27 ? 13.204 -7.913 -5.104 1.00 78.84 27 A 1 ATOM 191 O O . ALA A 1 27 ? 14.410 -7.626 -5.107 1.00 73.72 27 A 1 ATOM 192 C CB . ALA A 1 27 ? 12.096 -6.531 -3.325 1.00 76.48 27 A 1 ATOM 193 O OXT . ALA A 1 27 ? 12.806 -9.067 -5.317 1.00 69.71 27 A 1 #