# 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_spkb38178 # _entry.id spkb38178 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[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" "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 VAL 2 1 n THR 3 1 n VAL 4 1 n LEU 5 1 n LEU 6 1 n ILE 7 1 n PHE 8 1 n LEU 9 1 n CYS 10 1 n LEU 11 1 n PRO 12 1 n VAL 13 1 n ILE 14 1 n PHE 15 1 n SER 16 1 n SER 17 1 n SER 18 1 n THR 19 1 n PHE 20 1 n ALA 21 # _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 @ 2025-07-03 01:26:23)" _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 88.91 _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 81.28 1 1 A VAL 2 2 89.08 1 2 A THR 3 2 90.96 1 3 A VAL 4 2 94.08 1 4 A LEU 5 2 91.81 1 5 A LEU 6 2 91.69 1 6 A ILE 7 2 93.92 1 7 A PHE 8 2 91.18 1 8 A LEU 9 2 90.97 1 9 A CYS 10 2 92.84 1 10 A LEU 11 2 90.59 1 11 A PRO 12 2 94.51 1 12 A VAL 13 2 92.51 1 13 A ILE 14 2 91.52 1 14 A PHE 15 2 88.89 1 15 A SER 16 2 91.61 1 16 A SER 17 2 89.99 1 17 A SER 18 2 86.82 1 18 A THR 19 2 82.77 1 19 A PHE 20 2 77.36 1 20 A ALA 21 2 75.71 1 21 # _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 VAL . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PRO . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -15.433 2.414 3.714 1.00 87.79 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.581 1.214 3.893 1.00 89.57 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.519 1.119 2.799 1.00 89.89 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.386 0.743 3.070 1.00 87.86 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.446 -0.054 3.892 1.00 83.27 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.205 -0.200 5.215 1.00 76.26 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.107 -1.747 5.318 1.00 71.05 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.585 -1.713 7.048 1.00 64.54 1 A 1 ATOM 9 N N . VAL A 1 2 ? -13.888 1.475 1.594 1.00 90.55 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -12.941 1.442 0.469 1.00 92.56 2 A 1 ATOM 11 C C . VAL A 1 2 ? -11.756 2.373 0.733 1.00 94.19 2 A 1 ATOM 12 O O . VAL A 1 2 ? -10.610 2.051 0.412 1.00 93.19 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -13.649 1.832 -0.839 1.00 89.49 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -12.696 1.743 -2.020 1.00 81.35 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -14.852 0.925 -1.088 1.00 82.24 2 A 1 ATOM 16 N N . THR A 1 3 ? -12.022 3.502 1.358 1.00 93.37 3 A 1 ATOM 17 C CA . THR A 1 3 ? -10.974 4.471 1.684 1.00 94.35 3 A 1 ATOM 18 C C . THR A 1 3 ? -9.950 3.867 2.643 1.00 95.00 3 A 1 ATOM 19 O O . THR A 1 3 ? -8.750 4.110 2.514 1.00 93.95 3 A 1 ATOM 20 C CB . THR A 1 3 ? -11.599 5.722 2.314 1.00 93.06 3 A 1 ATOM 21 O OG1 . THR A 1 3 ? -12.773 6.092 1.595 1.00 84.03 3 A 1 ATOM 22 C CG2 . THR A 1 3 ? -10.624 6.886 2.285 1.00 82.96 3 A 1 ATOM 23 N N . VAL A 1 4 ? -10.417 3.077 3.582 1.00 95.97 4 A 1 ATOM 24 C CA . VAL A 1 4 ? -9.531 2.419 4.551 1.00 95.75 4 A 1 ATOM 25 C C . VAL A 1 4 ? -8.592 1.453 3.830 1.00 96.03 4 A 1 ATOM 26 O O . VAL A 1 4 ? -7.402 1.385 4.137 1.00 95.26 4 A 1 ATOM 27 C CB . VAL A 1 4 ? -10.352 1.673 5.619 1.00 94.67 4 A 1 ATOM 28 C CG1 . VAL A 1 4 ? -9.442 0.985 6.623 1.00 90.51 4 A 1 ATOM 29 C CG2 . VAL A 1 4 ? -11.284 2.634 6.346 1.00 90.38 4 A 1 ATOM 30 N N . LEU A 1 5 ? -9.127 0.722 2.869 1.00 95.35 5 A 1 ATOM 31 C CA . LEU A 1 5 ? -8.324 -0.205 2.074 1.00 95.09 5 A 1 ATOM 32 C C . LEU A 1 5 ? -7.252 0.550 1.283 1.00 95.75 5 A 1 ATOM 33 O O . LEU A 1 5 ? -6.106 0.114 1.204 1.00 95.62 5 A 1 ATOM 34 C CB . LEU A 1 5 ? -9.224 -1.000 1.118 1.00 94.76 5 A 1 ATOM 35 C CG . LEU A 1 5 ? -9.298 -2.489 1.460 1.00 87.83 5 A 1 ATOM 36 C CD1 . LEU A 1 5 ? -10.445 -2.757 2.427 1.00 84.72 5 A 1 ATOM 37 C CD2 . LEU A 1 5 ? -9.487 -3.316 0.197 1.00 85.39 5 A 1 ATOM 38 N N . LEU A 1 6 ? -7.631 1.679 0.721 1.00 95.56 6 A 1 ATOM 39 C CA . LEU A 1 6 ? -6.701 2.506 -0.045 1.00 95.25 6 A 1 ATOM 40 C C . LEU A 1 6 ? -5.561 3.007 0.840 1.00 95.74 6 A 1 ATOM 41 O O . LEU A 1 6 ? -4.393 2.939 0.456 1.00 95.87 6 A 1 ATOM 42 C CB . LEU A 1 6 ? -7.451 3.691 -0.671 1.00 94.59 6 A 1 ATOM 43 C CG . LEU A 1 6 ? -7.385 3.677 -2.200 1.00 86.63 6 A 1 ATOM 44 C CD1 . LEU A 1 6 ? -8.552 2.896 -2.784 1.00 84.42 6 A 1 ATOM 45 C CD2 . LEU A 1 6 ? -7.387 5.098 -2.735 1.00 85.48 6 A 1 ATOM 46 N N . ILE A 1 7 ? -5.901 3.493 2.021 1.00 95.73 7 A 1 ATOM 47 C CA . ILE A 1 7 ? -4.900 3.994 2.965 1.00 95.16 7 A 1 ATOM 48 C C . ILE A 1 7 ? -3.982 2.851 3.402 1.00 95.26 7 A 1 ATOM 49 O O . ILE A 1 7 ? -2.759 3.014 3.464 1.00 94.66 7 A 1 ATOM 50 C CB . ILE A 1 7 ? -5.593 4.637 4.181 1.00 94.99 7 A 1 ATOM 51 C CG1 . ILE A 1 7 ? -6.378 5.886 3.746 1.00 93.06 7 A 1 ATOM 52 C CG2 . ILE A 1 7 ? -4.555 5.017 5.244 1.00 92.62 7 A 1 ATOM 53 C CD1 . ILE A 1 7 ? -7.400 6.330 4.781 1.00 89.90 7 A 1 ATOM 54 N N . PHE A 1 8 ? -4.569 1.700 3.682 1.00 94.24 8 A 1 ATOM 55 C CA . PHE A 1 8 ? -3.802 0.527 4.095 1.00 93.54 8 A 1 ATOM 56 C C . PHE A 1 8 ? -2.855 0.078 2.983 1.00 94.33 8 A 1 ATOM 57 O O . PHE A 1 8 ? -1.755 -0.400 3.257 1.00 94.01 8 A 1 ATOM 58 C CB . PHE A 1 8 ? -4.776 -0.597 4.462 1.00 93.58 8 A 1 ATOM 59 C CG . PHE A 1 8 ? -4.065 -1.832 4.953 1.00 91.28 8 A 1 ATOM 60 C CD1 . PHE A 1 8 ? -3.517 -1.867 6.233 1.00 88.29 8 A 1 ATOM 61 C CD2 . PHE A 1 8 ? -3.943 -2.947 4.128 1.00 89.11 8 A 1 ATOM 62 C CE1 . PHE A 1 8 ? -2.849 -3.001 6.687 1.00 87.89 8 A 1 ATOM 63 C CE2 . PHE A 1 8 ? -3.270 -4.085 4.580 1.00 88.08 8 A 1 ATOM 64 C CZ . PHE A 1 8 ? -2.722 -4.112 5.856 1.00 88.68 8 A 1 ATOM 65 N N . LEU A 1 9 ? -3.280 0.233 1.745 1.00 94.65 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -2.458 -0.137 0.592 1.00 94.02 9 A 1 ATOM 67 C C . LEU A 1 9 ? -1.395 0.928 0.306 1.00 94.69 9 A 1 ATOM 68 O O . LEU A 1 9 ? -0.302 0.608 -0.159 1.00 94.20 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -3.369 -0.342 -0.629 1.00 93.69 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -2.756 -1.247 -1.702 1.00 87.00 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -2.851 -2.712 -1.268 1.00 83.88 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -3.478 -1.063 -3.028 1.00 85.67 9 A 1 ATOM 73 N N . CYS A 1 10 ? -1.712 2.180 0.581 1.00 94.50 10 A 1 ATOM 74 C CA . CYS A 1 10 ? -0.794 3.289 0.322 1.00 94.32 10 A 1 ATOM 75 C C . CYS A 1 10 ? 0.348 3.335 1.340 1.00 94.07 10 A 1 ATOM 76 O O . CYS A 1 10 ? 1.480 3.642 0.980 1.00 92.27 10 A 1 ATOM 77 C CB . CYS A 1 10 ? -1.572 4.613 0.335 1.00 93.13 10 A 1 ATOM 78 S SG . CYS A 1 10 ? -2.356 4.951 -1.256 1.00 88.77 10 A 1 ATOM 79 N N . LEU A 1 11 ? 0.045 3.039 2.599 1.00 94.32 11 A 1 ATOM 80 C CA . LEU A 1 11 ? 1.050 3.062 3.662 1.00 94.11 11 A 1 ATOM 81 C C . LEU A 1 11 ? 2.274 2.196 3.341 1.00 94.53 11 A 1 ATOM 82 O O . LEU A 1 11 ? 3.400 2.693 3.388 1.00 93.64 11 A 1 ATOM 83 C CB . LEU A 1 11 ? 0.412 2.629 4.987 1.00 93.00 11 A 1 ATOM 84 C CG . LEU A 1 11 ? 0.375 3.749 6.026 1.00 86.99 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? -0.798 4.688 5.748 1.00 84.17 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? 0.243 3.150 7.417 1.00 83.93 11 A 1 ATOM 87 N N . PRO A 1 12 ? 2.075 0.912 3.024 1.00 95.27 12 A 1 ATOM 88 C CA . PRO A 1 12 ? 3.218 0.040 2.727 1.00 94.94 12 A 1 ATOM 89 C C . PRO A 1 12 ? 3.974 0.486 1.481 1.00 95.40 12 A 1 ATOM 90 O O . PRO A 1 12 ? 5.197 0.364 1.423 1.00 94.08 12 A 1 ATOM 91 C CB . PRO A 1 12 ? 2.586 -1.347 2.533 1.00 93.47 12 A 1 ATOM 92 C CG . PRO A 1 12 ? 1.153 -1.081 2.210 1.00 93.03 12 A 1 ATOM 93 C CD . PRO A 1 12 ? 0.814 0.191 2.961 1.00 95.38 12 A 1 ATOM 94 N N . VAL A 1 13 ? 3.274 1.015 0.500 1.00 94.72 13 A 1 ATOM 95 C CA . VAL A 1 13 ? 3.905 1.496 -0.732 1.00 93.99 13 A 1 ATOM 96 C C . VAL A 1 13 ? 4.801 2.700 -0.435 1.00 94.29 13 A 1 ATOM 97 O O . VAL A 1 13 ? 5.945 2.760 -0.893 1.00 93.19 13 A 1 ATOM 98 C CB . VAL A 1 13 ? 2.836 1.860 -1.783 1.00 92.91 13 A 1 ATOM 99 C CG1 . VAL A 1 13 ? 3.477 2.481 -3.021 1.00 89.18 13 A 1 ATOM 100 C CG2 . VAL A 1 13 ? 2.061 0.615 -2.196 1.00 89.26 13 A 1 ATOM 101 N N . ILE A 1 14 ? 4.294 3.639 0.344 1.00 94.79 14 A 1 ATOM 102 C CA . ILE A 1 14 ? 5.060 4.829 0.719 1.00 93.92 14 A 1 ATOM 103 C C . ILE A 1 14 ? 6.247 4.431 1.594 1.00 93.88 14 A 1 ATOM 104 O O . ILE A 1 14 ? 7.358 4.936 1.411 1.00 93.41 14 A 1 ATOM 105 C CB . ILE A 1 14 ? 4.160 5.840 1.455 1.00 93.14 14 A 1 ATOM 106 C CG1 . ILE A 1 14 ? 3.047 6.344 0.525 1.00 90.74 14 A 1 ATOM 107 C CG2 . ILE A 1 14 ? 4.998 7.024 1.959 1.00 88.80 14 A 1 ATOM 108 C CD1 . ILE A 1 14 ? 1.902 7.000 1.279 1.00 83.48 14 A 1 ATOM 109 N N . PHE A 1 15 ? 6.012 3.522 2.527 1.00 93.98 15 A 1 ATOM 110 C CA . PHE A 1 15 ? 7.072 3.049 3.409 1.00 92.95 15 A 1 ATOM 111 C C . PHE A 1 15 ? 8.170 2.352 2.609 1.00 93.54 15 A 1 ATOM 112 O O . PHE A 1 15 ? 9.354 2.589 2.842 1.00 93.25 15 A 1 ATOM 113 C CB . PHE A 1 15 ? 6.482 2.097 4.445 1.00 92.23 15 A 1 ATOM 114 C CG . PHE A 1 15 ? 7.502 1.668 5.463 1.00 88.23 15 A 1 ATOM 115 C CD1 . PHE A 1 15 ? 7.896 2.538 6.472 1.00 85.04 15 A 1 ATOM 116 C CD2 . PHE A 1 15 ? 8.072 0.403 5.390 1.00 85.69 15 A 1 ATOM 117 C CE1 . PHE A 1 15 ? 8.845 2.157 7.406 1.00 84.07 15 A 1 ATOM 118 C CE2 . PHE A 1 15 ? 9.034 0.015 6.325 1.00 84.77 15 A 1 ATOM 119 C CZ . PHE A 1 15 ? 9.418 0.891 7.328 1.00 84.03 15 A 1 ATOM 120 N N . SER A 1 16 ? 7.788 1.526 1.658 1.00 94.76 16 A 1 ATOM 121 C CA . SER A 1 16 ? 8.746 0.823 0.806 1.00 94.16 16 A 1 ATOM 122 C C . SER A 1 16 ? 9.561 1.814 -0.021 1.00 94.07 16 A 1 ATOM 123 O O . SER A 1 16 ? 10.776 1.674 -0.156 1.00 91.97 16 A 1 ATOM 124 C CB . SER A 1 16 ? 8.002 -0.147 -0.111 1.00 92.67 16 A 1 ATOM 125 O OG . SER A 1 16 ? 8.913 -0.941 -0.823 1.00 82.01 16 A 1 ATOM 126 N N . SER A 1 17 ? 8.903 2.830 -0.543 1.00 93.54 17 A 1 ATOM 127 C CA . SER A 1 17 ? 9.567 3.865 -1.332 1.00 92.64 17 A 1 ATOM 128 C C . SER A 1 17 ? 10.537 4.671 -0.470 1.00 92.76 17 A 1 ATOM 129 O O . SER A 1 17 ? 11.644 4.991 -0.902 1.00 89.65 17 A 1 ATOM 130 C CB . SER A 1 17 ? 8.520 4.790 -1.952 1.00 90.49 17 A 1 ATOM 131 O OG . SER A 1 17 ? 9.136 5.720 -2.805 1.00 80.85 17 A 1 ATOM 132 N N . SER A 1 18 ? 10.132 4.983 0.749 1.00 90.51 18 A 1 ATOM 133 C CA . SER A 1 18 ? 10.969 5.737 1.680 1.00 89.77 18 A 1 ATOM 134 C C . SER A 1 18 ? 12.171 4.909 2.131 1.00 90.26 18 A 1 ATOM 135 O O . SER A 1 18 ? 13.276 5.434 2.263 1.00 86.38 18 A 1 ATOM 136 C CB . SER A 1 18 ? 10.146 6.163 2.891 1.00 87.31 18 A 1 ATOM 137 O OG . SER A 1 18 ? 10.898 7.014 3.712 1.00 76.68 18 A 1 ATOM 138 N N . THR A 1 19 ? 11.964 3.626 2.356 1.00 87.51 19 A 1 ATOM 139 C CA . THR A 1 19 ? 13.045 2.724 2.780 1.00 86.81 19 A 1 ATOM 140 C C . THR A 1 19 ? 14.068 2.536 1.663 1.00 86.25 19 A 1 ATOM 141 O O . THR A 1 19 ? 15.267 2.465 1.920 1.00 82.94 19 A 1 ATOM 142 C CB . THR A 1 19 ? 12.472 1.365 3.180 1.00 84.44 19 A 1 ATOM 143 O OG1 . THR A 1 19 ? 11.522 1.544 4.219 1.00 76.88 19 A 1 ATOM 144 C CG2 . THR A 1 19 ? 13.559 0.442 3.698 1.00 74.56 19 A 1 ATOM 145 N N . PHE A 1 20 ? 13.597 2.463 0.434 1.00 87.43 20 A 1 ATOM 146 C CA . PHE A 1 20 ? 14.484 2.321 -0.719 1.00 86.21 20 A 1 ATOM 147 C C . PHE A 1 20 ? 15.243 3.622 -0.987 1.00 87.27 20 A 1 ATOM 148 O O . PHE A 1 20 ? 16.336 3.599 -1.545 1.00 84.54 20 A 1 ATOM 149 C CB . PHE A 1 20 ? 13.660 1.914 -1.938 1.00 82.70 20 A 1 ATOM 150 C CG . PHE A 1 20 ? 14.525 1.505 -3.092 1.00 76.69 20 A 1 ATOM 151 C CD1 . PHE A 1 20 ? 14.824 2.403 -4.103 1.00 72.60 20 A 1 ATOM 152 C CD2 . PHE A 1 20 ? 15.051 0.222 -3.149 1.00 70.25 20 A 1 ATOM 153 C CE1 . PHE A 1 20 ? 15.637 2.022 -5.163 1.00 66.90 20 A 1 ATOM 154 C CE2 . PHE A 1 20 ? 15.871 -0.162 -4.210 1.00 69.82 20 A 1 ATOM 155 C CZ . PHE A 1 20 ? 16.159 0.741 -5.216 1.00 66.58 20 A 1 ATOM 156 N N . ALA A 1 21 ? 14.675 4.745 -0.541 1.00 83.19 21 A 1 ATOM 157 C CA . ALA A 1 21 ? 15.247 6.090 -0.728 1.00 80.74 21 A 1 ATOM 158 C C . ALA A 1 21 ? 15.120 6.546 -2.186 1.00 77.08 21 A 1 ATOM 159 O O . ALA A 1 21 ? 14.287 7.432 -2.445 1.00 72.83 21 A 1 ATOM 160 C CB . ALA A 1 21 ? 16.708 6.132 -0.266 1.00 73.98 21 A 1 ATOM 161 O OXT . ALA A 1 21 ? 15.822 6.023 -3.038 1.00 66.43 21 A 1 #