# 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_spkb37774 # _entry.id spkb37774 # 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 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 LYS 2 1 n PHE 3 1 n THR 4 1 n SER 5 1 n VAL 6 1 n LEU 7 1 n ALA 8 1 n PHE 9 1 n PHE 10 1 n LEU 11 1 n ALA 12 1 n THR 13 1 n LEU 14 1 n THR 15 1 n ALA 16 1 n SER 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 @ 2025-07-06 02:34:27)" _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 94.34 _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 85.36 1 1 A LYS 2 2 88.09 1 2 A PHE 3 2 92.46 1 3 A THR 4 2 95.16 1 4 A SER 5 2 96.08 1 5 A VAL 6 2 97.46 1 6 A LEU 7 2 95.60 1 7 A ALA 8 2 97.83 1 8 A PHE 9 2 95.44 1 9 A PHE 10 2 94.99 1 10 A LEU 11 2 95.51 1 11 A ALA 12 2 98.18 1 12 A THR 13 2 96.86 1 13 A LEU 14 2 96.25 1 14 A THR 15 2 96.31 1 15 A ALA 16 2 97.57 1 16 A SER 17 2 94.15 1 17 A ALA 18 2 89.93 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 LYS . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n SER . 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 ? 0.805 5.709 12.279 1.00 90.81 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.423 5.553 10.953 1.00 91.99 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.371 5.627 9.851 1.00 92.79 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.204 4.614 9.466 1.00 89.46 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.146 4.214 10.859 1.00 87.46 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.199 4.029 11.926 1.00 83.89 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.608 2.290 12.139 1.00 78.97 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.627 2.176 13.911 1.00 67.50 1 A 1 ATOM 9 N N . LYS A 1 2 ? 0.129 6.834 9.383 1.00 94.84 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -0.862 7.031 8.334 1.00 95.23 2 A 1 ATOM 11 C C . LYS A 1 2 ? -0.277 6.723 6.960 1.00 95.63 2 A 1 ATOM 12 O O . LYS A 1 2 ? -0.948 6.148 6.103 1.00 95.09 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -1.383 8.472 8.366 1.00 92.79 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -1.925 8.924 9.710 1.00 86.94 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -1.064 10.047 10.289 1.00 83.78 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -1.789 10.776 11.398 1.00 77.39 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -1.025 11.965 11.863 1.00 71.16 2 A 1 ATOM 18 N N . PHE A 1 3 ? 0.973 7.098 6.763 1.00 95.31 3 A 1 ATOM 19 C CA . PHE A 1 3 ? 1.646 6.867 5.491 1.00 96.18 3 A 1 ATOM 20 C C . PHE A 1 3 ? 1.881 5.383 5.244 1.00 97.10 3 A 1 ATOM 21 O O . PHE A 1 3 ? 1.878 4.925 4.106 1.00 96.55 3 A 1 ATOM 22 C CB . PHE A 1 3 ? 2.976 7.622 5.468 1.00 95.35 3 A 1 ATOM 23 C CG . PHE A 1 3 ? 3.306 8.188 4.116 1.00 92.30 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? 2.482 9.131 3.525 1.00 89.99 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? 4.441 7.776 3.446 1.00 89.53 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? 2.779 9.656 2.283 1.00 88.65 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? 4.750 8.296 2.198 1.00 88.67 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? 3.917 9.239 1.616 1.00 87.41 3 A 1 ATOM 29 N N . THR A 1 4 ? 2.077 4.654 6.322 1.00 96.54 4 A 1 ATOM 30 C CA . THR A 1 4 ? 2.302 3.216 6.227 1.00 96.80 4 A 1 ATOM 31 C C . THR A 1 4 ? 1.087 2.512 5.639 1.00 97.16 4 A 1 ATOM 32 O O . THR A 1 4 ? 1.220 1.593 4.832 1.00 96.44 4 A 1 ATOM 33 C CB . THR A 1 4 ? 2.633 2.620 7.606 1.00 96.20 4 A 1 ATOM 34 O OG1 . THR A 1 4 ? 1.967 3.364 8.621 1.00 92.24 4 A 1 ATOM 35 C CG2 . THR A 1 4 ? 4.125 2.644 7.867 1.00 90.76 4 A 1 ATOM 36 N N . SER A 1 5 ? -0.082 2.949 6.037 1.00 97.57 5 A 1 ATOM 37 C CA . SER A 1 5 ? -1.323 2.366 5.542 1.00 97.80 5 A 1 ATOM 38 C C . SER A 1 5 ? -1.518 2.693 4.065 1.00 98.10 5 A 1 ATOM 39 O O . SER A 1 5 ? -1.980 1.854 3.292 1.00 97.53 5 A 1 ATOM 40 C CB . SER A 1 5 ? -2.508 2.871 6.362 1.00 96.98 5 A 1 ATOM 41 O OG . SER A 1 5 ? -2.305 4.191 6.789 1.00 88.48 5 A 1 ATOM 42 N N . VAL A 1 6 ? -1.145 3.898 3.690 1.00 97.93 6 A 1 ATOM 43 C CA . VAL A 1 6 ? -1.255 4.342 2.301 1.00 98.11 6 A 1 ATOM 44 C C . VAL A 1 6 ? -0.298 3.548 1.418 1.00 98.28 6 A 1 ATOM 45 O O . VAL A 1 6 ? -0.632 3.180 0.292 1.00 97.98 6 A 1 ATOM 46 C CB . VAL A 1 6 ? -0.958 5.847 2.178 1.00 97.80 6 A 1 ATOM 47 C CG1 . VAL A 1 6 ? -1.104 6.309 0.739 1.00 96.28 6 A 1 ATOM 48 C CG2 . VAL A 1 6 ? -1.874 6.648 3.083 1.00 95.83 6 A 1 ATOM 49 N N . LEU A 1 7 ? 0.875 3.289 1.955 1.00 97.90 7 A 1 ATOM 50 C CA . LEU A 1 7 ? 1.884 2.522 1.233 1.00 97.90 7 A 1 ATOM 51 C C . LEU A 1 7 ? 1.381 1.117 0.947 1.00 98.13 7 A 1 ATOM 52 O O . LEU A 1 7 ? 1.556 0.593 -0.152 1.00 98.16 7 A 1 ATOM 53 C CB . LEU A 1 7 ? 3.174 2.459 2.054 1.00 97.69 7 A 1 ATOM 54 C CG . LEU A 1 7 ? 4.374 1.896 1.303 1.00 93.30 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? 4.992 2.961 0.410 1.00 90.46 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? 5.404 1.354 2.274 1.00 91.29 7 A 1 ATOM 57 N N . ALA A 1 8 ? 0.767 0.514 1.940 1.00 97.78 8 A 1 ATOM 58 C CA . ALA A 1 8 ? 0.221 -0.830 1.800 1.00 97.89 8 A 1 ATOM 59 C C . ALA A 1 8 ? -0.919 -0.846 0.791 1.00 98.17 8 A 1 ATOM 60 O O . ALA A 1 8 ? -1.083 -1.807 0.045 1.00 97.79 8 A 1 ATOM 61 C CB . ALA A 1 8 ? -0.262 -1.330 3.154 1.00 97.53 8 A 1 ATOM 62 N N . PHE A 1 9 ? -1.695 0.225 0.782 1.00 97.30 9 A 1 ATOM 63 C CA . PHE A 1 9 ? -2.816 0.355 -0.141 1.00 97.34 9 A 1 ATOM 64 C C . PHE A 1 9 ? -2.316 0.461 -1.577 1.00 97.69 9 A 1 ATOM 65 O O . PHE A 1 9 ? -2.880 -0.151 -2.487 1.00 97.39 9 A 1 ATOM 66 C CB . PHE A 1 9 ? -3.638 1.589 0.215 1.00 97.12 9 A 1 ATOM 67 C CG . PHE A 1 9 ? -5.118 1.403 -0.010 1.00 95.97 9 A 1 ATOM 68 C CD1 . PHE A 1 9 ? -5.653 1.456 -1.284 1.00 93.89 9 A 1 ATOM 69 C CD2 . PHE A 1 9 ? -5.960 1.174 1.066 1.00 94.19 9 A 1 ATOM 70 C CE1 . PHE A 1 9 ? -7.011 1.280 -1.499 1.00 92.96 9 A 1 ATOM 71 C CE2 . PHE A 1 9 ? -7.324 0.999 0.861 1.00 93.00 9 A 1 ATOM 72 C CZ . PHE A 1 9 ? -7.848 1.050 -0.419 1.00 93.02 9 A 1 ATOM 73 N N . PHE A 1 10 ? -1.263 1.232 -1.760 1.00 97.28 10 A 1 ATOM 74 C CA . PHE A 1 10 ? -0.669 1.416 -3.081 1.00 97.34 10 A 1 ATOM 75 C C . PHE A 1 10 ? -0.130 0.103 -3.628 1.00 97.86 10 A 1 ATOM 76 O O . PHE A 1 10 ? -0.394 -0.266 -4.771 1.00 97.76 10 A 1 ATOM 77 C CB . PHE A 1 10 ? 0.453 2.450 -3.002 1.00 97.16 10 A 1 ATOM 78 C CG . PHE A 1 10 ? 0.242 3.617 -3.931 1.00 95.44 10 A 1 ATOM 79 C CD1 . PHE A 1 10 ? -0.732 4.563 -3.666 1.00 92.63 10 A 1 ATOM 80 C CD2 . PHE A 1 10 ? 1.029 3.759 -5.064 1.00 93.36 10 A 1 ATOM 81 C CE1 . PHE A 1 10 ? -0.929 5.641 -4.521 1.00 91.90 10 A 1 ATOM 82 C CE2 . PHE A 1 10 ? 0.838 4.835 -5.923 1.00 92.00 10 A 1 ATOM 83 C CZ . PHE A 1 10 ? -0.143 5.778 -5.651 1.00 92.15 10 A 1 ATOM 84 N N . LEU A 1 11 ? 0.626 -0.587 -2.801 1.00 97.99 11 A 1 ATOM 85 C CA . LEU A 1 11 ? 1.208 -1.865 -3.199 1.00 97.97 11 A 1 ATOM 86 C C . LEU A 1 11 ? 0.134 -2.929 -3.372 1.00 98.25 11 A 1 ATOM 87 O O . LEU A 1 11 ? 0.198 -3.743 -4.292 1.00 98.17 11 A 1 ATOM 88 C CB . LEU A 1 11 ? 2.230 -2.320 -2.158 1.00 97.63 11 A 1 ATOM 89 C CG . LEU A 1 11 ? 3.429 -3.053 -2.750 1.00 92.52 11 A 1 ATOM 90 C CD1 . LEU A 1 11 ? 4.472 -2.058 -3.240 1.00 90.43 11 A 1 ATOM 91 C CD2 . LEU A 1 11 ? 4.035 -3.999 -1.735 1.00 91.14 11 A 1 ATOM 92 N N . ALA A 1 12 ? -0.834 -2.919 -2.477 1.00 98.35 12 A 1 ATOM 93 C CA . ALA A 1 12 ? -1.926 -3.886 -2.531 1.00 98.29 12 A 1 ATOM 94 C C . ALA A 1 12 ? -2.756 -3.702 -3.793 1.00 98.46 12 A 1 ATOM 95 O O . ALA A 1 12 ? -3.210 -4.675 -4.394 1.00 97.97 12 A 1 ATOM 96 C CB . ALA A 1 12 ? -2.807 -3.750 -1.296 1.00 97.85 12 A 1 ATOM 97 N N . THR A 1 13 ? -2.940 -2.457 -4.190 1.00 98.23 13 A 1 ATOM 98 C CA . THR A 1 13 ? -3.720 -2.136 -5.381 1.00 98.14 13 A 1 ATOM 99 C C . THR A 1 13 ? -3.041 -2.694 -6.628 1.00 98.28 13 A 1 ATOM 100 O O . THR A 1 13 ? -3.696 -3.271 -7.500 1.00 97.63 13 A 1 ATOM 101 C CB . THR A 1 13 ? -3.898 -0.618 -5.524 1.00 97.66 13 A 1 ATOM 102 O OG1 . THR A 1 13 ? -4.411 -0.072 -4.315 1.00 94.54 13 A 1 ATOM 103 C CG2 . THR A 1 13 ? -4.863 -0.294 -6.652 1.00 93.53 13 A 1 ATOM 104 N N . LEU A 1 14 ? -1.733 -2.530 -6.692 1.00 98.26 14 A 1 ATOM 105 C CA . LEU A 1 14 ? -0.964 -3.024 -7.827 1.00 98.12 14 A 1 ATOM 106 C C . LEU A 1 14 ? -0.900 -4.543 -7.819 1.00 98.29 14 A 1 ATOM 107 O O . LEU A 1 14 ? -0.928 -5.185 -8.870 1.00 97.93 14 A 1 ATOM 108 C CB . LEU A 1 14 ? 0.449 -2.440 -7.798 1.00 97.80 14 A 1 ATOM 109 C CG . LEU A 1 14 ? 0.994 -2.095 -9.176 1.00 95.19 14 A 1 ATOM 110 C CD1 . LEU A 1 14 ? 1.170 -0.600 -9.329 1.00 92.45 14 A 1 ATOM 111 C CD2 . LEU A 1 14 ? 2.298 -2.820 -9.433 1.00 91.99 14 A 1 ATOM 112 N N . THR A 1 15 ? -0.814 -5.106 -6.635 1.00 98.16 15 A 1 ATOM 113 C CA . THR A 1 15 ? -0.754 -6.558 -6.478 1.00 97.98 15 A 1 ATOM 114 C C . THR A 1 15 ? -2.038 -7.204 -6.984 1.00 97.93 15 A 1 ATOM 115 O O . THR A 1 15 ? -2.005 -8.235 -7.657 1.00 97.26 15 A 1 ATOM 116 C CB . THR A 1 15 ? -0.530 -6.929 -5.006 1.00 97.41 15 A 1 ATOM 117 O OG1 . THR A 1 15 ? 0.616 -6.242 -4.514 1.00 93.25 15 A 1 ATOM 118 C CG2 . THR A 1 15 ? -0.309 -8.424 -4.848 1.00 92.20 15 A 1 ATOM 119 N N . ALA A 1 16 ? -3.155 -6.594 -6.650 1.00 98.24 16 A 1 ATOM 120 C CA . ALA A 1 16 ? -4.455 -7.103 -7.073 1.00 97.89 16 A 1 ATOM 121 C C . ALA A 1 16 ? -4.654 -6.918 -8.571 1.00 97.96 16 A 1 ATOM 122 O O . ALA A 1 16 ? -5.203 -7.788 -9.247 1.00 96.90 16 A 1 ATOM 123 C CB . ALA A 1 16 ? -5.566 -6.408 -6.299 1.00 96.85 16 A 1 ATOM 124 N N . SER A 1 17 ? -4.188 -5.787 -9.073 1.00 97.16 17 A 1 ATOM 125 C CA . SER A 1 17 ? -4.303 -5.468 -10.490 1.00 96.84 17 A 1 ATOM 126 C C . SER A 1 17 ? -2.933 -5.531 -11.165 1.00 96.52 17 A 1 ATOM 127 O O . SER A 1 17 ? -2.355 -4.504 -11.528 1.00 94.15 17 A 1 ATOM 128 C CB . SER A 1 17 ? -4.919 -4.083 -10.666 1.00 95.02 17 A 1 ATOM 129 O OG . SER A 1 17 ? -5.323 -3.871 -12.002 1.00 85.19 17 A 1 ATOM 130 N N . ALA A 1 18 ? -2.424 -6.750 -11.326 1.00 95.78 18 A 1 ATOM 131 C CA . ALA A 1 18 ? -1.116 -6.957 -11.939 1.00 93.63 18 A 1 ATOM 132 C C . ALA A 1 18 ? -1.217 -6.831 -13.454 1.00 91.59 18 A 1 ATOM 133 O O . ALA A 1 18 ? -0.420 -6.077 -14.046 1.00 87.64 18 A 1 ATOM 134 C CB . ALA A 1 18 ? -0.567 -8.323 -11.550 1.00 89.68 18 A 1 ATOM 135 O OXT . ALA A 1 18 ? -2.057 -7.515 -14.053 1.00 81.25 18 A 1 #