# 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_spkb10922 # _entry.id spkb10922 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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 GLN 2 1 n LYS 3 1 n LEU 4 1 n LEU 5 1 n PHE 6 1 n VAL 7 1 n PHE 8 1 n SER 9 1 n VAL 10 1 n LEU 11 1 n LEU 12 1 n THR 13 1 n VAL 14 1 n VAL 15 1 n LEU 16 1 n ALA 17 # _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 23:50:29)" _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 92.45 _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 85.21 1 1 A GLN 2 2 86.09 1 2 A LYS 3 2 88.90 1 3 A LEU 4 2 92.76 1 4 A LEU 5 2 92.06 1 5 A PHE 6 2 91.37 1 6 A VAL 7 2 96.04 1 7 A PHE 8 2 92.38 1 8 A SER 9 2 94.86 1 9 A VAL 10 2 96.49 1 10 A LEU 11 2 94.19 1 11 A LEU 12 2 92.67 1 12 A THR 13 2 95.28 1 13 A VAL 14 2 96.66 1 14 A VAL 15 2 95.70 1 15 A LEU 16 2 94.07 1 16 A ALA 17 2 91.01 1 17 # _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 GLN . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 # _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 ? 2.532 5.752 10.585 1.00 91.02 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.671 5.950 9.405 1.00 92.09 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.250 5.290 8.151 1.00 92.26 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.529 5.036 7.196 1.00 90.83 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.465 7.445 9.152 1.00 88.29 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.502 8.052 10.163 1.00 82.00 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.022 9.731 9.737 1.00 76.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.226 10.646 10.679 1.00 68.53 1 A 1 ATOM 9 N N . GLN A 1 2 ? 3.536 5.011 8.172 1.00 93.89 2 A 1 ATOM 10 C CA . GLN A 1 2 ? 4.191 4.372 7.026 1.00 95.08 2 A 1 ATOM 11 C C . GLN A 1 2 ? 3.586 3.001 6.719 1.00 95.54 2 A 1 ATOM 12 O O . GLN A 1 2 ? 3.507 2.598 5.557 1.00 92.56 2 A 1 ATOM 13 C CB . GLN A 1 2 ? 5.686 4.236 7.308 1.00 92.22 2 A 1 ATOM 14 C CG . GLN A 1 2 ? 6.398 5.581 7.203 1.00 82.16 2 A 1 ATOM 15 C CD . GLN A 1 2 ? 7.872 5.457 7.520 1.00 79.51 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? 8.325 4.435 8.020 1.00 74.22 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? 8.647 6.485 7.246 1.00 69.60 2 A 1 ATOM 18 N N . LYS A 1 3 ? 3.138 2.303 7.741 1.00 94.83 3 A 1 ATOM 19 C CA . LYS A 1 3 ? 2.519 0.986 7.557 1.00 95.61 3 A 1 ATOM 20 C C . LYS A 1 3 ? 1.259 1.081 6.695 1.00 96.05 3 A 1 ATOM 21 O O . LYS A 1 3 ? 0.994 0.194 5.885 1.00 95.23 3 A 1 ATOM 22 C CB . LYS A 1 3 ? 2.175 0.373 8.916 1.00 94.86 3 A 1 ATOM 23 C CG . LYS A 1 3 ? 3.358 -0.349 9.537 1.00 89.01 3 A 1 ATOM 24 C CD . LYS A 1 3 ? 2.994 -0.950 10.886 1.00 84.39 3 A 1 ATOM 25 C CE . LYS A 1 3 ? 3.145 -2.458 10.892 1.00 78.80 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? 2.894 -3.028 12.237 1.00 71.32 3 A 1 ATOM 27 N N . LEU A 1 4 ? 0.504 2.147 6.861 1.00 94.97 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -0.732 2.345 6.107 1.00 95.66 4 A 1 ATOM 29 C C . LEU A 1 4 ? -0.426 2.487 4.616 1.00 96.20 4 A 1 ATOM 30 O O . LEU A 1 4 ? -1.059 1.841 3.777 1.00 95.80 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -1.466 3.582 6.651 1.00 95.77 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -2.985 3.405 6.729 1.00 91.52 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -3.590 4.422 7.692 1.00 85.90 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -3.629 3.549 5.369 1.00 86.23 4 A 1 ATOM 35 N N . LEU A 1 5 ? 0.554 3.311 4.281 1.00 95.77 5 A 1 ATOM 36 C CA . LEU A 1 5 ? 0.949 3.522 2.889 1.00 95.68 5 A 1 ATOM 37 C C . LEU A 1 5 ? 1.515 2.242 2.281 1.00 96.04 5 A 1 ATOM 38 O O . LEU A 1 5 ? 1.239 1.921 1.124 1.00 96.01 5 A 1 ATOM 39 C CB . LEU A 1 5 ? 1.986 4.645 2.816 1.00 95.54 5 A 1 ATOM 40 C CG . LEU A 1 5 ? 1.407 6.034 3.074 1.00 89.06 5 A 1 ATOM 41 C CD1 . LEU A 1 5 ? 2.534 7.038 3.261 1.00 83.81 5 A 1 ATOM 42 C CD2 . LEU A 1 5 ? 0.524 6.477 1.915 1.00 84.61 5 A 1 ATOM 43 N N . PHE A 1 6 ? 2.293 1.510 3.056 1.00 94.87 6 A 1 ATOM 44 C CA . PHE A 1 6 ? 2.891 0.262 2.596 1.00 95.01 6 A 1 ATOM 45 C C . PHE A 1 6 ? 1.808 -0.763 2.261 1.00 95.81 6 A 1 ATOM 46 O O . PHE A 1 6 ? 1.829 -1.363 1.187 1.00 95.24 6 A 1 ATOM 47 C CB . PHE A 1 6 ? 3.836 -0.273 3.674 1.00 94.68 6 A 1 ATOM 48 C CG . PHE A 1 6 ? 4.567 -1.518 3.238 1.00 92.25 6 A 1 ATOM 49 C CD1 . PHE A 1 6 ? 5.490 -1.463 2.200 1.00 87.85 6 A 1 ATOM 50 C CD2 . PHE A 1 6 ? 4.322 -2.729 3.864 1.00 88.44 6 A 1 ATOM 51 C CE1 . PHE A 1 6 ? 6.164 -2.603 1.785 1.00 87.11 6 A 1 ATOM 52 C CE2 . PHE A 1 6 ? 4.995 -3.880 3.451 1.00 87.07 6 A 1 ATOM 53 C CZ . PHE A 1 6 ? 5.914 -3.815 2.415 1.00 86.69 6 A 1 ATOM 54 N N . VAL A 1 7 ? 0.865 -0.944 3.156 1.00 96.73 7 A 1 ATOM 55 C CA . VAL A 1 7 ? -0.232 -1.891 2.941 1.00 97.07 7 A 1 ATOM 56 C C . VAL A 1 7 ? -1.078 -1.474 1.738 1.00 97.38 7 A 1 ATOM 57 O O . VAL A 1 7 ? -1.455 -2.311 0.917 1.00 97.04 7 A 1 ATOM 58 C CB . VAL A 1 7 ? -1.106 -2.008 4.207 1.00 96.62 7 A 1 ATOM 59 C CG1 . VAL A 1 7 ? -2.344 -2.857 3.954 1.00 93.77 7 A 1 ATOM 60 C CG2 . VAL A 1 7 ? -0.298 -2.624 5.346 1.00 93.68 7 A 1 ATOM 61 N N . PHE A 1 8 ? -1.351 -0.192 1.633 1.00 96.30 8 A 1 ATOM 62 C CA . PHE A 1 8 ? -2.140 0.339 0.524 1.00 96.47 8 A 1 ATOM 63 C C . PHE A 1 8 ? -1.427 0.113 -0.805 1.00 96.95 8 A 1 ATOM 64 O O . PHE A 1 8 ? -2.042 -0.303 -1.788 1.00 96.67 8 A 1 ATOM 65 C CB . PHE A 1 8 ? -2.397 1.833 0.748 1.00 96.42 8 A 1 ATOM 66 C CG . PHE A 1 8 ? -3.826 2.226 0.448 1.00 92.33 8 A 1 ATOM 67 C CD1 . PHE A 1 8 ? -4.834 1.986 1.373 1.00 88.30 8 A 1 ATOM 68 C CD2 . PHE A 1 8 ? -4.141 2.829 -0.762 1.00 89.59 8 A 1 ATOM 69 C CE1 . PHE A 1 8 ? -6.153 2.344 1.100 1.00 87.99 8 A 1 ATOM 70 C CE2 . PHE A 1 8 ? -5.463 3.189 -1.046 1.00 87.72 8 A 1 ATOM 71 C CZ . PHE A 1 8 ? -6.469 2.946 -0.115 1.00 87.47 8 A 1 ATOM 72 N N . SER A 1 9 ? -0.139 0.373 -0.835 1.00 96.67 9 A 1 ATOM 73 C CA . SER A 1 9 ? 0.665 0.191 -2.041 1.00 96.80 9 A 1 ATOM 74 C C . SER A 1 9 ? 0.718 -1.280 -2.452 1.00 97.21 9 A 1 ATOM 75 O O . SER A 1 9 ? 0.569 -1.605 -3.628 1.00 96.85 9 A 1 ATOM 76 C CB . SER A 1 9 ? 2.074 0.724 -1.803 1.00 96.12 9 A 1 ATOM 77 O OG . SER A 1 9 ? 2.795 0.710 -3.008 1.00 85.49 9 A 1 ATOM 78 N N . VAL A 1 10 ? 0.914 -2.160 -1.496 1.00 97.28 10 A 1 ATOM 79 C CA . VAL A 1 10 ? 0.963 -3.599 -1.763 1.00 97.32 10 A 1 ATOM 80 C C . VAL A 1 10 ? -0.382 -4.088 -2.293 1.00 97.68 10 A 1 ATOM 81 O O . VAL A 1 10 ? -0.433 -4.839 -3.267 1.00 97.19 10 A 1 ATOM 82 C CB . VAL A 1 10 ? 1.364 -4.371 -0.492 1.00 96.74 10 A 1 ATOM 83 C CG1 . VAL A 1 10 ? 1.239 -5.874 -0.696 1.00 94.65 10 A 1 ATOM 84 C CG2 . VAL A 1 10 ? 2.804 -4.038 -0.111 1.00 94.54 10 A 1 ATOM 85 N N . LEU A 1 11 ? -1.445 -3.657 -1.668 1.00 96.17 11 A 1 ATOM 86 C CA . LEU A 1 11 ? -2.791 -4.045 -2.089 1.00 96.40 11 A 1 ATOM 87 C C . LEU A 1 11 ? -3.066 -3.578 -3.514 1.00 96.70 11 A 1 ATOM 88 O O . LEU A 1 11 ? -3.568 -4.342 -4.341 1.00 96.47 11 A 1 ATOM 89 C CB . LEU A 1 11 ? -3.819 -3.439 -1.128 1.00 96.45 11 A 1 ATOM 90 C CG . LEU A 1 11 ? -5.164 -4.165 -1.167 1.00 92.04 11 A 1 ATOM 91 C CD1 . LEU A 1 11 ? -5.128 -5.393 -0.262 1.00 89.02 11 A 1 ATOM 92 C CD2 . LEU A 1 11 ? -6.282 -3.236 -0.726 1.00 90.23 11 A 1 ATOM 93 N N . LEU A 1 12 ? -2.729 -2.337 -3.810 1.00 96.55 12 A 1 ATOM 94 C CA . LEU A 1 12 ? -2.921 -1.766 -5.142 1.00 96.25 12 A 1 ATOM 95 C C . LEU A 1 12 ? -2.083 -2.513 -6.176 1.00 96.55 12 A 1 ATOM 96 O O . LEU A 1 12 ? -2.552 -2.795 -7.278 1.00 96.03 12 A 1 ATOM 97 C CB . LEU A 1 12 ? -2.543 -0.284 -5.116 1.00 95.65 12 A 1 ATOM 98 C CG . LEU A 1 12 ? -3.033 0.481 -6.345 1.00 88.55 12 A 1 ATOM 99 C CD1 . LEU A 1 12 ? -4.530 0.771 -6.235 1.00 85.30 12 A 1 ATOM 100 C CD2 . LEU A 1 12 ? -2.271 1.790 -6.488 1.00 86.48 12 A 1 ATOM 101 N N . THR A 1 13 ? -0.857 -2.840 -5.825 1.00 97.39 13 A 1 ATOM 102 C CA . THR A 1 13 ? 0.046 -3.566 -6.717 1.00 97.35 13 A 1 ATOM 103 C C . THR A 1 13 ? -0.514 -4.947 -7.050 1.00 97.64 13 A 1 ATOM 104 O O . THR A 1 13 ? -0.478 -5.367 -8.203 1.00 96.40 13 A 1 ATOM 105 C CB . THR A 1 13 ? 1.430 -3.704 -6.076 1.00 96.40 13 A 1 ATOM 106 O OG1 . THR A 1 13 ? 1.960 -2.417 -5.787 1.00 91.46 13 A 1 ATOM 107 C CG2 . THR A 1 13 ? 2.399 -4.397 -7.025 1.00 90.35 13 A 1 ATOM 108 N N . VAL A 1 14 ? -1.035 -5.642 -6.061 1.00 97.90 14 A 1 ATOM 109 C CA . VAL A 1 14 ? -1.606 -6.976 -6.261 1.00 97.78 14 A 1 ATOM 110 C C . VAL A 1 14 ? -2.811 -6.917 -7.199 1.00 98.00 14 A 1 ATOM 111 O O . VAL A 1 14 ? -2.979 -7.793 -8.051 1.00 97.20 14 A 1 ATOM 112 C CB . VAL A 1 14 ? -1.998 -7.602 -4.908 1.00 97.11 14 A 1 ATOM 113 C CG1 . VAL A 1 14 ? -2.759 -8.906 -5.100 1.00 94.45 14 A 1 ATOM 114 C CG2 . VAL A 1 14 ? -0.754 -7.872 -4.073 1.00 94.20 14 A 1 ATOM 115 N N . VAL A 1 15 ? -3.627 -5.899 -7.049 1.00 97.55 15 A 1 ATOM 116 C CA . VAL A 1 15 ? -4.818 -5.740 -7.888 1.00 97.34 15 A 1 ATOM 117 C C . VAL A 1 15 ? -4.441 -5.399 -9.329 1.00 97.49 15 A 1 ATOM 118 O O . VAL A 1 15 ? -5.051 -5.910 -10.271 1.00 96.46 15 A 1 ATOM 119 C CB . VAL A 1 15 ? -5.751 -4.658 -7.306 1.00 96.43 15 A 1 ATOM 120 C CG1 . VAL A 1 15 ? -6.916 -4.367 -8.244 1.00 92.60 15 A 1 ATOM 121 C CG2 . VAL A 1 15 ? -6.299 -5.110 -5.961 1.00 92.01 15 A 1 ATOM 122 N N . LEU A 1 16 ? -3.457 -4.539 -9.500 1.00 97.00 16 A 1 ATOM 123 C CA . LEU A 1 16 ? -3.024 -4.114 -10.829 1.00 96.57 16 A 1 ATOM 124 C C . LEU A 1 16 ? -2.103 -5.132 -11.491 1.00 96.51 16 A 1 ATOM 125 O O . LEU A 1 16 ? -2.098 -5.254 -12.718 1.00 95.45 16 A 1 ATOM 126 C CB . LEU A 1 16 ? -2.313 -2.759 -10.723 1.00 95.70 16 A 1 ATOM 127 C CG . LEU A 1 16 ? -3.245 -1.595 -10.383 1.00 93.18 16 A 1 ATOM 128 C CD1 . LEU A 1 16 ? -2.431 -0.354 -10.041 1.00 89.47 16 A 1 ATOM 129 C CD2 . LEU A 1 16 ? -4.176 -1.289 -11.545 1.00 88.72 16 A 1 ATOM 130 N N . ALA A 1 17 ? -1.326 -5.841 -10.700 1.00 95.76 17 A 1 ATOM 131 C CA . ALA A 1 17 ? -0.374 -6.830 -11.206 1.00 94.15 17 A 1 ATOM 132 C C . ALA A 1 17 ? -1.103 -8.005 -11.852 1.00 92.94 17 A 1 ATOM 133 O O . ALA A 1 17 ? -0.600 -8.542 -12.856 1.00 89.61 17 A 1 ATOM 134 C CB . ALA A 1 17 ? 0.533 -7.300 -10.068 1.00 91.05 17 A 1 ATOM 135 O OXT . ALA A 1 17 ? -2.153 -8.401 -11.361 1.00 82.55 17 A 1 #