# 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_spkb44667 # _entry.id spkb44667 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "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 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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 SER 2 1 n SER 3 1 n LEU 4 1 n VAL 5 1 n LEU 6 1 n ILE 7 1 n PRO 8 1 n CYS 9 1 n ALA 10 1 n LEU 11 1 n LEU 12 1 n THR 13 1 n GLN 14 1 n GLY 15 1 n ILE 16 1 n TYR 17 1 n ALA 18 # _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 @ 2025-07-08 05:28:34)" _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 89.21 _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 68.45 1 1 A SER 2 2 79.77 1 2 A SER 3 2 86.45 1 3 A LEU 4 2 86.78 1 4 A VAL 5 2 89.54 1 5 A LEU 6 2 90.73 1 6 A ILE 7 2 90.79 1 7 A PRO 8 2 93.01 1 8 A CYS 9 2 92.94 1 9 A ALA 10 2 94.94 1 10 A LEU 11 2 93.21 1 11 A LEU 12 2 92.86 1 12 A THR 13 2 92.61 1 13 A GLN 14 2 90.01 1 14 A GLY 15 2 94.77 1 15 A ILE 16 2 92.16 1 16 A TYR 17 2 91.28 1 17 A ALA 18 2 87.79 1 18 # _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 SER . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n ALA . 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 GLN . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n TYR . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -5.412 10.592 15.648 1.00 72.86 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.077 9.243 15.156 1.00 75.38 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.006 9.235 13.633 1.00 76.50 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.000 8.996 12.958 1.00 71.80 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.133 8.238 15.621 1.00 68.66 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.087 8.021 17.119 1.00 65.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.325 6.841 17.661 1.00 61.44 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.953 6.789 19.412 1.00 55.48 1 A 1 ATOM 9 N N . SER A 1 2 ? -3.829 9.497 13.093 1.00 81.29 2 A 1 ATOM 10 C CA . SER A 1 2 ? -3.620 9.526 11.653 1.00 83.46 2 A 1 ATOM 11 C C . SER A 1 2 ? -2.516 8.548 11.254 1.00 84.59 2 A 1 ATOM 12 O O . SER A 1 2 ? -1.749 8.087 12.097 1.00 79.90 2 A 1 ATOM 13 C CB . SER A 1 2 ? -3.250 10.936 11.215 1.00 78.15 2 A 1 ATOM 14 O OG . SER A 1 2 ? -4.254 11.856 11.593 1.00 71.21 2 A 1 ATOM 15 N N . SER A 1 3 ? -2.426 8.245 9.950 1.00 86.66 3 A 1 ATOM 16 C CA . SER A 1 3 ? -1.410 7.314 9.439 1.00 89.09 3 A 1 ATOM 17 C C . SER A 1 3 ? -1.767 5.860 9.723 1.00 90.59 3 A 1 ATOM 18 O O . SER A 1 3 ? -0.893 5.001 9.791 1.00 87.81 3 A 1 ATOM 19 C CB . SER A 1 3 ? -0.032 7.636 10.029 1.00 85.96 3 A 1 ATOM 20 O OG . SER A 1 3 ? 0.301 8.987 9.810 1.00 78.59 3 A 1 ATOM 21 N N . LEU A 1 4 ? -3.052 5.586 9.888 1.00 89.86 4 A 1 ATOM 22 C CA . LEU A 1 4 ? -3.515 4.219 10.129 1.00 90.96 4 A 1 ATOM 23 C C . LEU A 1 4 ? -3.719 3.470 8.815 1.00 92.77 4 A 1 ATOM 24 O O . LEU A 1 4 ? -3.523 2.264 8.732 1.00 91.01 4 A 1 ATOM 25 C CB . LEU A 1 4 ? -4.817 4.234 10.929 1.00 88.62 4 A 1 ATOM 26 C CG . LEU A 1 4 ? -4.643 3.866 12.395 1.00 83.64 4 A 1 ATOM 27 C CD1 . LEU A 1 4 ? -3.889 4.968 13.126 1.00 79.59 4 A 1 ATOM 28 C CD2 . LEU A 1 4 ? -5.988 3.619 13.048 1.00 77.79 4 A 1 ATOM 29 N N . VAL A 1 5 ? -4.103 4.197 7.777 1.00 90.34 5 A 1 ATOM 30 C CA . VAL A 1 5 ? -4.339 3.612 6.455 1.00 91.66 5 A 1 ATOM 31 C C . VAL A 1 5 ? -3.318 4.127 5.442 1.00 93.16 5 A 1 ATOM 32 O O . VAL A 1 5 ? -3.276 3.683 4.296 1.00 92.17 5 A 1 ATOM 33 C CB . VAL A 1 5 ? -5.759 3.931 5.967 1.00 89.73 5 A 1 ATOM 34 C CG1 . VAL A 1 5 ? -6.128 3.067 4.776 1.00 84.32 5 A 1 ATOM 35 C CG2 . VAL A 1 5 ? -6.769 3.744 7.082 1.00 85.40 5 A 1 ATOM 36 N N . LEU A 1 6 ? -2.490 5.058 5.865 1.00 93.10 6 A 1 ATOM 37 C CA . LEU A 1 6 ? -1.479 5.655 4.995 1.00 93.26 6 A 1 ATOM 38 C C . LEU A 1 6 ? -0.212 4.807 4.930 1.00 94.15 6 A 1 ATOM 39 O O . LEU A 1 6 ? 0.444 4.740 3.892 1.00 93.46 6 A 1 ATOM 40 C CB . LEU A 1 6 ? -1.136 7.059 5.492 1.00 92.09 6 A 1 ATOM 41 C CG . LEU A 1 6 ? -0.268 7.864 4.538 1.00 89.05 6 A 1 ATOM 42 C CD1 . LEU A 1 6 ? -1.058 8.227 3.288 1.00 85.97 6 A 1 ATOM 43 C CD2 . LEU A 1 6 ? 0.237 9.117 5.227 1.00 84.74 6 A 1 ATOM 44 N N . ILE A 1 7 ? 0.134 4.162 6.034 1.00 92.08 7 A 1 ATOM 45 C CA . ILE A 1 7 ? 1.329 3.318 6.104 1.00 92.31 7 A 1 ATOM 46 C C . ILE A 1 7 ? 1.231 2.108 5.169 1.00 93.51 7 A 1 ATOM 47 O O . ILE A 1 7 ? 2.139 1.875 4.362 1.00 93.29 7 A 1 ATOM 48 C CB . ILE A 1 7 ? 1.582 2.855 7.551 1.00 91.81 7 A 1 ATOM 49 C CG1 . ILE A 1 7 ? 1.825 4.054 8.469 1.00 89.66 7 A 1 ATOM 50 C CG2 . ILE A 1 7 ? 2.788 1.918 7.596 1.00 88.98 7 A 1 ATOM 51 C CD1 . ILE A 1 7 ? 1.720 3.701 9.940 1.00 84.71 7 A 1 ATOM 52 N N . PRO A 1 8 ? 0.160 1.310 5.259 1.00 93.57 8 A 1 ATOM 53 C CA . PRO A 1 8 ? 0.022 0.137 4.386 1.00 93.74 8 A 1 ATOM 54 C C . PRO A 1 8 ? -0.225 0.516 2.934 1.00 94.48 8 A 1 ATOM 55 O O . PRO A 1 8 ? 0.100 -0.246 2.024 1.00 93.47 8 A 1 ATOM 56 C CB . PRO A 1 8 ? -1.187 -0.605 4.970 1.00 92.25 8 A 1 ATOM 57 C CG . PRO A 1 8 ? -1.973 0.441 5.666 1.00 90.68 8 A 1 ATOM 58 C CD . PRO A 1 8 ? -0.961 1.431 6.195 1.00 92.86 8 A 1 ATOM 59 N N . CYS A 1 9 ? -0.779 1.679 2.702 1.00 93.80 9 A 1 ATOM 60 C CA . CYS A 1 9 ? -1.063 2.152 1.348 1.00 93.94 9 A 1 ATOM 61 C C . CYS A 1 9 ? 0.228 2.352 0.555 1.00 94.56 9 A 1 ATOM 62 O O . CYS A 1 9 ? 0.306 2.011 -0.624 1.00 93.60 9 A 1 ATOM 63 C CB . CYS A 1 9 ? -1.844 3.467 1.408 1.00 92.34 9 A 1 ATOM 64 S SG . CYS A 1 9 ? -2.428 3.996 -0.203 1.00 89.38 9 A 1 ATOM 65 N N . ALA A 1 10 ? 1.249 2.896 1.207 1.00 94.98 10 A 1 ATOM 66 C CA . ALA A 1 10 ? 2.537 3.142 0.563 1.00 94.97 10 A 1 ATOM 67 C C . ALA A 1 10 ? 3.216 1.835 0.167 1.00 95.73 10 A 1 ATOM 68 O O . ALA A 1 10 ? 3.797 1.728 -0.909 1.00 94.62 10 A 1 ATOM 69 C CB . ALA A 1 10 ? 3.442 3.937 1.498 1.00 94.41 10 A 1 ATOM 70 N N . LEU A 1 11 ? 3.140 0.835 1.032 1.00 95.59 11 A 1 ATOM 71 C CA . LEU A 1 11 ? 3.746 -0.468 0.770 1.00 95.10 11 A 1 ATOM 72 C C . LEU A 1 11 ? 3.054 -1.173 -0.390 1.00 95.51 11 A 1 ATOM 73 O O . LEU A 1 11 ? 3.698 -1.849 -1.189 1.00 94.80 11 A 1 ATOM 74 C CB . LEU A 1 11 ? 3.658 -1.340 2.022 1.00 94.64 11 A 1 ATOM 75 C CG . LEU A 1 11 ? 4.524 -0.860 3.183 1.00 90.94 11 A 1 ATOM 76 C CD1 . LEU A 1 11 ? 4.134 -1.586 4.460 1.00 89.26 11 A 1 ATOM 77 C CD2 . LEU A 1 11 ? 5.995 -1.098 2.876 1.00 89.83 11 A 1 ATOM 78 N N . LEU A 1 12 ? 1.752 -1.007 -0.476 1.00 96.12 12 A 1 ATOM 79 C CA . LEU A 1 12 ? 0.961 -1.624 -1.536 1.00 95.33 12 A 1 ATOM 80 C C . LEU A 1 12 ? 1.352 -1.058 -2.898 1.00 95.62 12 A 1 ATOM 81 O O . LEU A 1 12 ? 1.483 -1.790 -3.876 1.00 94.89 12 A 1 ATOM 82 C CB . LEU A 1 12 ? -0.528 -1.394 -1.266 1.00 94.77 12 A 1 ATOM 83 C CG . LEU A 1 12 ? -1.404 -2.627 -1.449 1.00 90.81 12 A 1 ATOM 84 C CD1 . LEU A 1 12 ? -2.810 -2.352 -0.931 1.00 87.70 12 A 1 ATOM 85 C CD2 . LEU A 1 12 ? -1.453 -3.061 -2.894 1.00 87.64 12 A 1 ATOM 86 N N . THR A 1 13 ? 1.555 0.239 -2.957 1.00 95.48 13 A 1 ATOM 87 C CA . THR A 1 13 ? 1.927 0.915 -4.198 1.00 94.69 13 A 1 ATOM 88 C C . THR A 1 13 ? 3.310 0.481 -4.668 1.00 94.62 13 A 1 ATOM 89 O O . THR A 1 13 ? 3.550 0.319 -5.863 1.00 93.39 13 A 1 ATOM 90 C CB . THR A 1 13 ? 1.909 2.433 -4.007 1.00 93.41 13 A 1 ATOM 91 O OG1 . THR A 1 13 ? 0.656 2.832 -3.466 1.00 88.99 13 A 1 ATOM 92 C CG2 . THR A 1 13 ? 2.131 3.147 -5.330 1.00 87.67 13 A 1 ATOM 93 N N . GLN A 1 14 ? 4.227 0.277 -3.735 1.00 94.89 14 A 1 ATOM 94 C CA . GLN A 1 14 ? 5.588 -0.142 -4.060 1.00 94.62 14 A 1 ATOM 95 C C . GLN A 1 14 ? 5.613 -1.557 -4.622 1.00 95.36 14 A 1 ATOM 96 O O . GLN A 1 14 ? 6.395 -1.854 -5.521 1.00 92.79 14 A 1 ATOM 97 C CB . GLN A 1 14 ? 6.462 -0.065 -2.817 1.00 93.33 14 A 1 ATOM 98 C CG . GLN A 1 14 ? 6.770 1.364 -2.415 1.00 89.04 14 A 1 ATOM 99 C CD . GLN A 1 14 ? 7.629 1.433 -1.170 1.00 86.86 14 A 1 ATOM 100 O OE1 . GLN A 1 14 ? 7.612 0.531 -0.336 1.00 82.35 14 A 1 ATOM 101 N NE2 . GLN A 1 14 ? 8.398 2.496 -1.017 1.00 80.85 14 A 1 ATOM 102 N N . GLY A 1 15 ? 4.771 -2.422 -4.104 1.00 94.41 15 A 1 ATOM 103 C CA . GLY A 1 15 ? 4.706 -3.803 -4.573 1.00 94.56 15 A 1 ATOM 104 C C . GLY A 1 15 ? 4.134 -3.922 -5.970 1.00 95.48 15 A 1 ATOM 105 O O . GLY A 1 15 ? 4.479 -4.835 -6.716 1.00 94.61 15 A 1 ATOM 106 N N . ILE A 1 16 ? 3.260 -3.001 -6.346 1.00 95.26 16 A 1 ATOM 107 C CA . ILE A 1 16 ? 2.631 -3.010 -7.664 1.00 94.87 16 A 1 ATOM 108 C C . ILE A 1 16 ? 3.487 -2.287 -8.702 1.00 95.21 16 A 1 ATOM 109 O O . ILE A 1 16 ? 3.591 -2.723 -9.848 1.00 94.37 16 A 1 ATOM 110 C CB . ILE A 1 16 ? 1.233 -2.371 -7.602 1.00 94.27 16 A 1 ATOM 111 C CG1 . ILE A 1 16 ? 0.335 -3.131 -6.629 1.00 91.11 16 A 1 ATOM 112 C CG2 . ILE A 1 16 ? 0.597 -2.362 -8.991 1.00 89.20 16 A 1 ATOM 113 C CD1 . ILE A 1 16 ? -0.910 -2.364 -6.249 1.00 82.98 16 A 1 ATOM 114 N N . TYR A 1 17 ? 4.093 -1.188 -8.298 1.00 95.35 17 A 1 ATOM 115 C CA . TYR A 1 17 ? 4.912 -0.385 -9.207 1.00 94.82 17 A 1 ATOM 116 C C . TYR A 1 17 ? 6.380 -0.812 -9.202 1.00 94.66 17 A 1 ATOM 117 O O . TYR A 1 17 ? 7.091 -0.614 -10.182 1.00 93.74 17 A 1 ATOM 118 C CB . TYR A 1 17 ? 4.802 1.092 -8.832 1.00 94.11 17 A 1 ATOM 119 C CG . TYR A 1 17 ? 3.516 1.722 -9.314 1.00 91.72 17 A 1 ATOM 120 C CD1 . TYR A 1 17 ? 2.322 1.505 -8.647 1.00 89.16 17 A 1 ATOM 121 C CD2 . TYR A 1 17 ? 3.514 2.528 -10.448 1.00 88.56 17 A 1 ATOM 122 C CE1 . TYR A 1 17 ? 1.140 2.076 -9.101 1.00 88.54 17 A 1 ATOM 123 C CE2 . TYR A 1 17 ? 2.336 3.106 -10.906 1.00 88.39 17 A 1 ATOM 124 C CZ . TYR A 1 17 ? 1.152 2.876 -10.228 1.00 88.96 17 A 1 ATOM 125 O OH . TYR A 1 17 ? -0.011 3.440 -10.675 1.00 87.38 17 A 1 ATOM 126 N N . ALA A 1 18 ? 6.838 -1.421 -8.107 1.00 92.84 18 A 1 ATOM 127 C CA . ALA A 1 18 ? 8.234 -1.856 -7.958 1.00 91.41 18 A 1 ATOM 128 C C . ALA A 1 18 ? 8.309 -3.358 -7.710 1.00 89.20 18 A 1 ATOM 129 O O . ALA A 1 18 ? 8.563 -3.778 -6.571 1.00 86.16 18 A 1 ATOM 130 C CB . ALA A 1 18 ? 8.898 -1.089 -6.830 1.00 87.89 18 A 1 ATOM 131 O OXT . ALA A 1 18 ? 8.140 -4.122 -8.691 1.00 79.21 18 A 1 #