# 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_spkb14137 # _entry.id spkb14137 # 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" "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" "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" # _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 SER 3 1 n TYR 4 1 n CYS 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n SER 9 1 n ILE 10 1 n THR 11 1 n LEU 12 1 n SER 13 1 n CYS 14 1 n CYS 15 1 n CYS 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 06:04:32)" _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 78.95 _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 73.00 1 1 A LYS 2 2 72.94 1 2 A SER 3 2 79.73 1 3 A TYR 4 2 79.95 1 4 A CYS 5 2 82.56 1 5 A LEU 6 2 78.66 1 6 A LEU 7 2 78.02 1 7 A LEU 8 2 80.83 1 8 A SER 9 2 82.53 1 9 A ILE 10 2 84.40 1 10 A THR 11 2 79.10 1 11 A LEU 12 2 78.85 1 12 A SER 13 2 83.18 1 13 A CYS 14 2 81.99 1 14 A CYS 15 2 82.07 1 15 A CYS 16 2 77.92 1 16 A SER 17 2 77.10 1 17 A ALA 18 2 70.23 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 SER . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n CYS . 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 ? -5.392 9.511 0.905 1.00 78.55 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.434 8.390 0.823 1.00 79.32 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.872 7.214 1.702 1.00 79.43 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.456 7.416 2.771 1.00 76.36 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.022 8.851 1.218 1.00 75.14 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.892 9.323 2.657 1.00 71.27 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.231 9.871 3.089 1.00 64.65 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.331 11.593 2.659 1.00 59.28 1 A 1 ATOM 9 N N . LYS A 1 2 ? -4.607 5.988 1.254 1.00 77.90 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -4.962 4.765 1.986 1.00 79.68 2 A 1 ATOM 11 C C . LYS A 1 2 ? -3.710 4.106 2.576 1.00 80.09 2 A 1 ATOM 12 O O . LYS A 1 2 ? -2.791 3.754 1.837 1.00 77.58 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -5.687 3.804 1.043 1.00 76.47 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -7.038 4.312 0.577 1.00 72.15 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -7.585 3.442 -0.530 1.00 68.95 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -8.899 3.975 -1.066 1.00 65.03 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -8.702 5.184 -1.897 1.00 58.64 2 A 1 ATOM 18 N N . SER A 1 3 ? -3.674 3.940 3.893 1.00 79.91 3 A 1 ATOM 19 C CA . SER A 1 3 ? -2.531 3.338 4.590 1.00 81.90 3 A 1 ATOM 20 C C . SER A 1 3 ? -2.861 1.973 5.205 1.00 83.00 3 A 1 ATOM 21 O O . SER A 1 3 ? -2.360 1.624 6.270 1.00 81.08 3 A 1 ATOM 22 C CB . SER A 1 3 ? -2.007 4.293 5.666 1.00 80.48 3 A 1 ATOM 23 O OG . SER A 1 3 ? -1.576 5.516 5.113 1.00 72.01 3 A 1 ATOM 24 N N . TYR A 1 4 ? -3.719 1.211 4.530 1.00 78.84 4 A 1 ATOM 25 C CA . TYR A 1 4 ? -4.106 -0.121 5.010 1.00 81.05 4 A 1 ATOM 26 C C . TYR A 1 4 ? -3.038 -1.170 4.698 1.00 82.17 4 A 1 ATOM 27 O O . TYR A 1 4 ? -2.743 -2.026 5.532 1.00 80.60 4 A 1 ATOM 28 C CB . TYR A 1 4 ? -5.452 -0.538 4.402 1.00 82.52 4 A 1 ATOM 29 C CG . TYR A 1 4 ? -6.617 0.329 4.840 1.00 81.06 4 A 1 ATOM 30 C CD1 . TYR A 1 4 ? -7.083 0.290 6.157 1.00 79.11 4 A 1 ATOM 31 C CD2 . TYR A 1 4 ? -7.254 1.167 3.937 1.00 79.78 4 A 1 ATOM 32 C CE1 . TYR A 1 4 ? -8.151 1.083 6.561 1.00 77.11 4 A 1 ATOM 33 C CE2 . TYR A 1 4 ? -8.330 1.968 4.334 1.00 79.39 4 A 1 ATOM 34 C CZ . TYR A 1 4 ? -8.771 1.920 5.647 1.00 80.18 4 A 1 ATOM 35 O OH . TYR A 1 4 ? -9.825 2.708 6.038 1.00 77.59 4 A 1 ATOM 36 N N . CYS A 1 5 ? -2.442 -1.095 3.506 1.00 84.84 5 A 1 ATOM 37 C CA . CYS A 1 5 ? -1.372 -2.005 3.092 1.00 84.32 5 A 1 ATOM 38 C C . CYS A 1 5 ? -0.109 -1.809 3.923 1.00 85.13 5 A 1 ATOM 39 O O . CYS A 1 5 ? 0.538 -2.775 4.314 1.00 81.99 5 A 1 ATOM 40 C CB . CYS A 1 5 ? -1.051 -1.795 1.614 1.00 81.69 5 A 1 ATOM 41 S SG . CYS A 1 5 ? -2.339 -2.354 0.480 1.00 77.38 5 A 1 ATOM 42 N N . LEU A 1 6 ? 0.222 -0.550 4.180 1.00 80.12 6 A 1 ATOM 43 C CA . LEU A 1 6 ? 1.406 -0.202 4.965 1.00 82.50 6 A 1 ATOM 44 C C . LEU A 1 6 ? 1.266 -0.641 6.424 1.00 85.12 6 A 1 ATOM 45 O O . LEU A 1 6 ? 2.235 -1.100 7.026 1.00 84.23 6 A 1 ATOM 46 C CB . LEU A 1 6 ? 1.671 1.308 4.895 1.00 81.25 6 A 1 ATOM 47 C CG . LEU A 1 6 ? 2.139 1.837 3.544 1.00 73.86 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? 1.889 3.330 3.443 1.00 70.61 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? 3.622 1.545 3.329 1.00 71.58 6 A 1 ATOM 50 N N . LEU A 1 7 ? 0.070 -0.510 6.974 1.00 79.25 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -0.206 -0.910 8.356 1.00 80.72 7 A 1 ATOM 52 C C . LEU A 1 7 ? -0.113 -2.423 8.552 1.00 82.73 7 A 1 ATOM 53 O O . LEU A 1 7 ? 0.275 -2.878 9.633 1.00 82.30 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -1.595 -0.411 8.779 1.00 80.16 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -1.659 1.060 9.191 1.00 74.89 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -3.074 1.594 9.046 1.00 71.59 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -1.187 1.241 10.629 1.00 72.51 7 A 1 ATOM 58 N N . LEU A 1 8 ? -0.464 -3.180 7.509 1.00 83.57 8 A 1 ATOM 59 C CA . LEU A 1 8 ? -0.413 -4.645 7.545 1.00 84.11 8 A 1 ATOM 60 C C . LEU A 1 8 ? 0.999 -5.171 7.803 1.00 85.75 8 A 1 ATOM 61 O O . LEU A 1 8 ? 1.214 -5.918 8.761 1.00 84.53 8 A 1 ATOM 62 C CB . LEU A 1 8 ? -0.974 -5.225 6.234 1.00 83.04 8 A 1 ATOM 63 C CG . LEU A 1 8 ? -2.467 -5.564 6.272 1.00 77.26 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? -3.068 -5.519 4.873 1.00 74.03 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? -2.690 -6.940 6.881 1.00 74.31 8 A 1 ATOM 66 N N . SER A 1 9 ? 1.948 -4.793 6.945 1.00 82.88 9 A 1 ATOM 67 C CA . SER A 1 9 ? 3.342 -5.253 7.066 1.00 83.68 9 A 1 ATOM 68 C C . SER A 1 9 ? 4.353 -4.301 6.415 1.00 84.24 9 A 1 ATOM 69 O O . SER A 1 9 ? 5.425 -4.731 5.989 1.00 84.05 9 A 1 ATOM 70 C CB . SER A 1 9 ? 3.484 -6.653 6.459 1.00 83.54 9 A 1 ATOM 71 O OG . SER A 1 9 ? 2.652 -7.583 7.107 1.00 76.81 9 A 1 ATOM 72 N N . ILE A 1 10 ? 4.011 -3.026 6.360 1.00 85.96 10 A 1 ATOM 73 C CA . ILE A 1 10 ? 4.862 -1.977 5.762 1.00 85.81 10 A 1 ATOM 74 C C . ILE A 1 10 ? 5.346 -2.412 4.366 1.00 86.31 10 A 1 ATOM 75 O O . ILE A 1 10 ? 6.543 -2.521 4.093 1.00 84.32 10 A 1 ATOM 76 C CB . ILE A 1 10 ? 6.046 -1.586 6.700 1.00 86.19 10 A 1 ATOM 77 C CG1 . ILE A 1 10 ? 5.580 -1.291 8.139 1.00 84.44 10 A 1 ATOM 78 C CG2 . ILE A 1 10 ? 6.785 -0.339 6.145 1.00 82.67 10 A 1 ATOM 79 C CD1 . ILE A 1 10 ? 6.647 -1.528 9.197 1.00 79.52 10 A 1 ATOM 80 N N . THR A 1 11 ? 4.382 -2.693 3.502 1.00 80.83 11 A 1 ATOM 81 C CA . THR A 1 11 ? 4.657 -3.166 2.145 1.00 81.10 11 A 1 ATOM 82 C C . THR A 1 11 ? 5.238 -2.045 1.281 1.00 80.59 11 A 1 ATOM 83 O O . THR A 1 11 ? 4.734 -0.919 1.295 1.00 78.39 11 A 1 ATOM 84 C CB . THR A 1 11 ? 3.376 -3.734 1.505 1.00 81.55 11 A 1 ATOM 85 O OG1 . THR A 1 11 ? 2.698 -4.576 2.441 1.00 76.70 11 A 1 ATOM 86 C CG2 . THR A 1 11 ? 3.680 -4.548 0.258 1.00 74.54 11 A 1 ATOM 87 N N . LEU A 1 12 ? 6.291 -2.382 0.539 1.00 84.12 12 A 1 ATOM 88 C CA . LEU A 1 12 ? 6.952 -1.428 -0.360 1.00 82.44 12 A 1 ATOM 89 C C . LEU A 1 12 ? 6.105 -1.152 -1.604 1.00 83.90 12 A 1 ATOM 90 O O . LEU A 1 12 ? 6.187 -0.065 -2.179 1.00 81.55 12 A 1 ATOM 91 C CB . LEU A 1 12 ? 8.333 -1.966 -0.764 1.00 81.10 12 A 1 ATOM 92 C CG . LEU A 1 12 ? 9.398 -1.854 0.327 1.00 75.79 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? 10.400 -2.987 0.231 1.00 71.08 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? 10.115 -0.519 0.229 1.00 70.84 12 A 1 ATOM 95 N N . SER A 1 13 ? 5.307 -2.137 -2.015 1.00 84.86 13 A 1 ATOM 96 C CA . SER A 1 13 ? 4.424 -2.032 -3.173 1.00 84.90 13 A 1 ATOM 97 C C . SER A 1 13 ? 3.272 -1.054 -2.922 1.00 85.51 13 A 1 ATOM 98 O O . SER A 1 13 ? 2.895 -0.810 -1.772 1.00 83.83 13 A 1 ATOM 99 C CB . SER A 1 13 ? 3.879 -3.407 -3.529 1.00 84.44 13 A 1 ATOM 100 O OG . SER A 1 13 ? 4.926 -4.291 -3.857 1.00 75.52 13 A 1 ATOM 101 N N . CYS A 1 14 ? 2.732 -0.511 -4.005 1.00 83.06 14 A 1 ATOM 102 C CA . CYS A 1 14 ? 1.627 0.447 -3.925 1.00 83.69 14 A 1 ATOM 103 C C . CYS A 1 14 ? 0.279 -0.244 -4.165 1.00 84.87 14 A 1 ATOM 104 O O . CYS A 1 14 ? -0.471 0.133 -5.067 1.00 81.70 14 A 1 ATOM 105 C CB . CYS A 1 14 ? 1.856 1.584 -4.920 1.00 82.01 14 A 1 ATOM 106 S SG . CYS A 1 14 ? 0.983 3.092 -4.448 1.00 76.64 14 A 1 ATOM 107 N N . CYS A 1 15 ? -0.013 -1.265 -3.365 1.00 82.97 15 A 1 ATOM 108 C CA . CYS A 1 15 ? -1.265 -2.007 -3.500 1.00 83.16 15 A 1 ATOM 109 C C . CYS A 1 15 ? -2.464 -1.214 -2.985 1.00 83.91 15 A 1 ATOM 110 O O . CYS A 1 15 ? -3.597 -1.475 -3.387 1.00 81.61 15 A 1 ATOM 111 C CB . CYS A 1 15 ? -1.170 -3.354 -2.781 1.00 82.29 15 A 1 ATOM 112 S SG . CYS A 1 15 ? -0.780 -3.234 -1.021 1.00 78.48 15 A 1 ATOM 113 N N . CYS A 1 16 ? -2.219 -0.260 -2.109 1.00 78.18 16 A 1 ATOM 114 C CA . CYS A 1 16 ? -3.274 0.595 -1.577 1.00 78.88 16 A 1 ATOM 115 C C . CYS A 1 16 ? -3.820 1.553 -2.637 1.00 80.50 16 A 1 ATOM 116 O O . CYS A 1 16 ? -5.032 1.733 -2.747 1.00 77.81 16 A 1 ATOM 117 C CB . CYS A 1 16 ? -2.755 1.369 -0.364 1.00 78.00 16 A 1 ATOM 118 S SG . CYS A 1 16 ? -2.606 0.380 1.139 1.00 74.16 16 A 1 ATOM 119 N N . SER A 1 17 ? -2.919 2.149 -3.391 1.00 78.89 17 A 1 ATOM 120 C CA . SER A 1 17 ? -3.281 3.079 -4.459 1.00 78.83 17 A 1 ATOM 121 C C . SER A 1 17 ? -3.365 2.395 -5.828 1.00 78.66 17 A 1 ATOM 122 O O . SER A 1 17 ? -4.293 2.655 -6.595 1.00 76.44 17 A 1 ATOM 123 C CB . SER A 1 17 ? -2.285 4.239 -4.503 1.00 78.14 17 A 1 ATOM 124 O OG . SER A 1 17 ? -2.350 5.012 -3.320 1.00 71.64 17 A 1 ATOM 125 N N . ALA A 1 18 ? -2.387 1.521 -6.114 1.00 74.10 18 A 1 ATOM 126 C CA . ALA A 1 18 ? -2.326 0.806 -7.387 1.00 74.27 18 A 1 ATOM 127 C C . ALA A 1 18 ? -2.402 -0.707 -7.198 1.00 73.06 18 A 1 ATOM 128 O O . ALA A 1 18 ? -1.929 -1.207 -6.155 1.00 68.33 18 A 1 ATOM 129 C CB . ALA A 1 18 ? -1.052 1.180 -8.128 1.00 68.57 18 A 1 ATOM 130 O OXT . ALA A 1 18 ? -2.876 -1.400 -8.110 1.00 63.08 18 A 1 #