# 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_spkb38527 # _entry.id spkb38527 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "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" "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 HIS 2 1 n SER 3 1 n ILE 4 1 n VAL 5 1 n ALA 6 1 n LEU 7 1 n MET 8 1 n LEU 9 1 n ILE 10 1 n GLY 11 1 n THR 12 1 n ILE 13 1 n LEU 14 1 n PRO 15 1 n ILE 16 1 n ALA 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 @ 2025-07-10 11:16:07)" _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 93.94 _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 86.00 1 1 A HIS 2 2 88.32 1 2 A SER 3 2 94.55 1 3 A ILE 4 2 95.44 1 4 A VAL 5 2 96.91 1 5 A ALA 6 2 97.48 1 6 A LEU 7 2 94.67 1 7 A MET 8 2 93.34 1 8 A LEU 9 2 95.38 1 9 A ILE 10 2 95.57 1 10 A GLY 11 2 97.52 1 11 A THR 12 2 95.86 1 12 A ILE 13 2 94.96 1 13 A LEU 14 2 94.76 1 14 A PRO 15 2 96.74 1 15 A ILE 16 2 93.74 1 16 A ALA 17 2 95.45 1 17 A ALA 18 2 89.25 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 HIS . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n MET . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ALA . 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 ? -12.307 6.720 -3.425 1.00 90.75 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.438 6.559 -2.250 1.00 92.40 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.272 5.628 -2.566 1.00 93.19 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.060 4.614 -1.904 1.00 91.37 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.244 5.994 -1.078 1.00 87.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.217 7.009 -0.520 1.00 82.60 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.444 6.268 0.552 1.00 79.87 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.290 7.724 1.123 1.00 69.85 1 A 1 ATOM 9 N N . HIS A 1 2 ? -9.530 5.991 -3.592 1.00 93.38 2 A 1 ATOM 10 C CA . HIS A 1 2 ? -8.395 5.188 -4.034 1.00 94.72 2 A 1 ATOM 11 C C . HIS A 1 2 ? -7.110 5.639 -3.342 1.00 95.88 2 A 1 ATOM 12 O O . HIS A 1 2 ? -6.175 4.860 -3.171 1.00 94.18 2 A 1 ATOM 13 C CB . HIS A 1 2 ? -8.254 5.312 -5.551 1.00 93.10 2 A 1 ATOM 14 C CG . HIS A 1 2 ? -7.809 4.040 -6.199 1.00 90.06 2 A 1 ATOM 15 N ND1 . HIS A 1 2 ? -8.656 3.004 -6.499 1.00 80.41 2 A 1 ATOM 16 C CD2 . HIS A 1 2 ? -6.580 3.660 -6.607 1.00 78.42 2 A 1 ATOM 17 C CE1 . HIS A 1 2 ? -7.964 2.033 -7.063 1.00 81.43 2 A 1 ATOM 18 N NE2 . HIS A 1 2 ? -6.696 2.400 -7.144 1.00 81.59 2 A 1 ATOM 19 N N . SER A 1 3 ? -7.075 6.893 -2.924 1.00 95.07 3 A 1 ATOM 20 C CA . SER A 1 3 ? -5.907 7.461 -2.252 1.00 96.64 3 A 1 ATOM 21 C C . SER A 1 3 ? -5.677 6.821 -0.888 1.00 97.08 3 A 1 ATOM 22 O O . SER A 1 3 ? -4.545 6.703 -0.431 1.00 95.99 3 A 1 ATOM 23 C CB . SER A 1 3 ? -6.073 8.964 -2.089 1.00 95.67 3 A 1 ATOM 24 O OG . SER A 1 3 ? -6.333 9.571 -3.339 1.00 86.84 3 A 1 ATOM 25 N N . ILE A 1 4 ? -6.758 6.406 -0.250 1.00 97.16 4 A 1 ATOM 26 C CA . ILE A 1 4 ? -6.674 5.767 1.063 1.00 97.23 4 A 1 ATOM 27 C C . ILE A 1 4 ? -5.914 4.449 0.968 1.00 97.30 4 A 1 ATOM 28 O O . ILE A 1 4 ? -5.097 4.118 1.827 1.00 96.78 4 A 1 ATOM 29 C CB . ILE A 1 4 ? -8.077 5.518 1.642 1.00 96.98 4 A 1 ATOM 30 C CG1 . ILE A 1 4 ? -8.832 6.842 1.783 1.00 94.48 4 A 1 ATOM 31 C CG2 . ILE A 1 4 ? -7.970 4.822 2.996 1.00 93.97 4 A 1 ATOM 32 C CD1 . ILE A 1 4 ? -10.289 6.659 2.157 1.00 89.58 4 A 1 ATOM 33 N N . VAL A 1 5 ? -6.186 3.700 -0.086 1.00 97.66 5 A 1 ATOM 34 C CA . VAL A 1 5 ? -5.519 2.417 -0.312 1.00 97.75 5 A 1 ATOM 35 C C . VAL A 1 5 ? -4.031 2.636 -0.543 1.00 97.62 5 A 1 ATOM 36 O O . VAL A 1 5 ? -3.195 1.865 -0.072 1.00 97.33 5 A 1 ATOM 37 C CB . VAL A 1 5 ? -6.128 1.685 -1.518 1.00 97.49 5 A 1 ATOM 38 C CG1 . VAL A 1 5 ? -5.487 0.323 -1.707 1.00 95.25 5 A 1 ATOM 39 C CG2 . VAL A 1 5 ? -7.630 1.542 -1.347 1.00 95.24 5 A 1 ATOM 40 N N . ALA A 1 6 ? -3.710 3.682 -1.266 1.00 97.60 6 A 1 ATOM 41 C CA . ALA A 1 6 ? -2.322 4.023 -1.557 1.00 97.61 6 A 1 ATOM 42 C C . ALA A 1 6 ? -1.583 4.404 -0.283 1.00 97.63 6 A 1 ATOM 43 O O . ALA A 1 6 ? -0.399 4.110 -0.130 1.00 97.18 6 A 1 ATOM 44 C CB . ALA A 1 6 ? -2.269 5.168 -2.558 1.00 97.40 6 A 1 ATOM 45 N N . LEU A 1 7 ? -2.281 5.057 0.630 1.00 97.03 7 A 1 ATOM 46 C CA . LEU A 1 7 ? -1.703 5.466 1.907 1.00 96.57 7 A 1 ATOM 47 C C . LEU A 1 7 ? -1.235 4.256 2.704 1.00 96.96 7 A 1 ATOM 48 O O . LEU A 1 7 ? -0.127 4.241 3.239 1.00 96.69 7 A 1 ATOM 49 C CB . LEU A 1 7 ? -2.741 6.243 2.719 1.00 96.06 7 A 1 ATOM 50 C CG . LEU A 1 7 ? -2.169 6.916 3.959 1.00 91.69 7 A 1 ATOM 51 C CD1 . LEU A 1 7 ? -1.584 8.271 3.598 1.00 91.15 7 A 1 ATOM 52 C CD2 . LEU A 1 7 ? -3.234 7.074 5.022 1.00 91.18 7 A 1 ATOM 53 N N . MET A 1 8 ? -2.078 3.239 2.779 1.00 96.71 8 A 1 ATOM 54 C CA . MET A 1 8 ? -1.750 2.013 3.502 1.00 96.82 8 A 1 ATOM 55 C C . MET A 1 8 ? -0.654 1.233 2.787 1.00 97.35 8 A 1 ATOM 56 O O . MET A 1 8 ? 0.259 0.702 3.415 1.00 96.98 8 A 1 ATOM 57 C CB . MET A 1 8 ? -2.990 1.134 3.642 1.00 96.72 8 A 1 ATOM 58 C CG . MET A 1 8 ? -3.826 1.478 4.855 1.00 93.71 8 A 1 ATOM 59 S SD . MET A 1 8 ? -5.255 0.409 5.038 1.00 88.29 8 A 1 ATOM 60 C CE . MET A 1 8 ? -5.049 -0.132 6.727 1.00 80.13 8 A 1 ATOM 61 N N . LEU A 1 9 ? -0.756 1.177 1.475 1.00 97.15 9 A 1 ATOM 62 C CA . LEU A 1 9 ? 0.210 0.448 0.655 1.00 97.32 9 A 1 ATOM 63 C C . LEU A 1 9 ? 1.611 1.030 0.810 1.00 97.76 9 A 1 ATOM 64 O O . LEU A 1 9 ? 2.578 0.304 1.029 1.00 97.74 9 A 1 ATOM 65 C CB . LEU A 1 9 ? -0.220 0.494 -0.810 1.00 97.06 9 A 1 ATOM 66 C CG . LEU A 1 9 ? 0.307 -0.666 -1.645 1.00 92.88 9 A 1 ATOM 67 C CD1 . LEU A 1 9 ? -0.838 -1.380 -2.342 1.00 91.49 9 A 1 ATOM 68 C CD2 . LEU A 1 9 ? 1.309 -0.175 -2.667 1.00 91.63 9 A 1 ATOM 69 N N . ILE A 1 10 ? 1.710 2.343 0.708 1.00 97.51 10 A 1 ATOM 70 C CA . ILE A 1 10 ? 2.991 3.030 0.838 1.00 97.29 10 A 1 ATOM 71 C C . ILE A 1 10 ? 3.515 2.935 2.264 1.00 97.63 10 A 1 ATOM 72 O O . ILE A 1 10 ? 4.716 2.765 2.485 1.00 97.21 10 A 1 ATOM 73 C CB . ILE A 1 10 ? 2.851 4.504 0.436 1.00 96.60 10 A 1 ATOM 74 C CG1 . ILE A 1 10 ? 2.417 4.618 -1.028 1.00 94.20 10 A 1 ATOM 75 C CG2 . ILE A 1 10 ? 4.179 5.231 0.638 1.00 94.00 10 A 1 ATOM 76 C CD1 . ILE A 1 10 ? 1.913 5.993 -1.385 1.00 90.13 10 A 1 ATOM 77 N N . GLY A 1 11 ? 2.612 3.039 3.228 1.00 97.50 11 A 1 ATOM 78 C CA . GLY A 1 11 ? 2.980 2.965 4.636 1.00 97.47 11 A 1 ATOM 79 C C . GLY A 1 11 ? 3.321 1.562 5.091 1.00 97.83 11 A 1 ATOM 80 O O . GLY A 1 11 ? 3.679 1.355 6.247 1.00 97.27 11 A 1 ATOM 81 N N . THR A 1 12 ? 3.190 0.601 4.201 1.00 97.53 12 A 1 ATOM 82 C CA . THR A 1 12 ? 3.496 -0.795 4.512 1.00 97.46 12 A 1 ATOM 83 C C . THR A 1 12 ? 4.829 -1.213 3.902 1.00 97.77 12 A 1 ATOM 84 O O . THR A 1 12 ? 5.659 -1.832 4.563 1.00 96.78 12 A 1 ATOM 85 C CB . THR A 1 12 ? 2.397 -1.729 3.986 1.00 96.60 12 A 1 ATOM 86 O OG1 . THR A 1 12 ? 1.131 -1.315 4.489 1.00 92.77 12 A 1 ATOM 87 C CG2 . THR A 1 12 ? 2.649 -3.157 4.420 1.00 92.13 12 A 1 ATOM 88 N N . ILE A 1 13 ? 5.029 -0.877 2.646 1.00 97.52 13 A 1 ATOM 89 C CA . ILE A 1 13 ? 6.252 -1.236 1.937 1.00 97.23 13 A 1 ATOM 90 C C . ILE A 1 13 ? 7.440 -0.414 2.429 1.00 97.49 13 A 1 ATOM 91 O O . ILE A 1 13 ? 8.568 -0.907 2.496 1.00 96.72 13 A 1 ATOM 92 C CB . ILE A 1 13 ? 6.079 -1.042 0.421 1.00 96.62 13 A 1 ATOM 93 C CG1 . ILE A 1 13 ? 4.885 -1.853 -0.093 1.00 93.66 13 A 1 ATOM 94 C CG2 . ILE A 1 13 ? 7.346 -1.465 -0.314 1.00 92.56 13 A 1 ATOM 95 C CD1 . ILE A 1 13 ? 4.498 -1.508 -1.511 1.00 87.86 13 A 1 ATOM 96 N N . LEU A 1 14 ? 7.182 0.837 2.775 1.00 97.36 14 A 1 ATOM 97 C CA . LEU A 1 14 ? 8.218 1.751 3.249 1.00 97.01 14 A 1 ATOM 98 C C . LEU A 1 14 ? 8.911 1.238 4.515 1.00 97.38 14 A 1 ATOM 99 O O . LEU A 1 14 ? 10.133 1.078 4.525 1.00 96.85 14 A 1 ATOM 100 C CB . LEU A 1 14 ? 7.609 3.138 3.489 1.00 96.30 14 A 1 ATOM 101 C CG . LEU A 1 14 ? 8.353 4.282 2.808 1.00 92.75 14 A 1 ATOM 102 C CD1 . LEU A 1 14 ? 9.755 4.420 3.340 1.00 90.63 14 A 1 ATOM 103 C CD2 . LEU A 1 14 ? 8.362 4.061 1.303 1.00 89.80 14 A 1 ATOM 104 N N . PRO A 1 15 ? 8.149 0.984 5.590 1.00 97.35 15 A 1 ATOM 105 C CA . PRO A 1 15 ? 8.740 0.517 6.854 1.00 97.33 15 A 1 ATOM 106 C C . PRO A 1 15 ? 9.355 -0.870 6.747 1.00 97.59 15 A 1 ATOM 107 O O . PRO A 1 15 ? 10.312 -1.175 7.454 1.00 96.69 15 A 1 ATOM 108 C CB . PRO A 1 15 ? 7.556 0.508 7.829 1.00 96.34 15 A 1 ATOM 109 C CG . PRO A 1 15 ? 6.355 0.398 6.961 1.00 95.08 15 A 1 ATOM 110 C CD . PRO A 1 15 ? 6.708 1.140 5.697 1.00 96.80 15 A 1 ATOM 111 N N . ILE A 1 16 ? 8.820 -1.710 5.869 1.00 96.79 16 A 1 ATOM 112 C CA . ILE A 1 16 ? 9.336 -3.061 5.693 1.00 96.13 16 A 1 ATOM 113 C C . ILE A 1 16 ? 10.705 -3.031 5.026 1.00 96.50 16 A 1 ATOM 114 O O . ILE A 1 16 ? 11.605 -3.790 5.390 1.00 95.73 16 A 1 ATOM 115 C CB . ILE A 1 16 ? 8.366 -3.919 4.855 1.00 95.11 16 A 1 ATOM 116 C CG1 . ILE A 1 16 ? 7.048 -4.116 5.608 1.00 92.20 16 A 1 ATOM 117 C CG2 . ILE A 1 16 ? 8.989 -5.278 4.542 1.00 90.98 16 A 1 ATOM 118 C CD1 . ILE A 1 16 ? 5.962 -4.742 4.756 1.00 86.47 16 A 1 ATOM 119 N N . ALA A 1 17 ? 10.856 -2.168 4.052 1.00 95.68 17 A 1 ATOM 120 C CA . ALA A 1 17 ? 12.113 -2.043 3.323 1.00 95.62 17 A 1 ATOM 121 C C . ALA A 1 17 ? 13.154 -1.269 4.123 1.00 96.21 17 A 1 ATOM 122 O O . ALA A 1 17 ? 14.348 -1.564 4.048 1.00 95.37 17 A 1 ATOM 123 C CB . ALA A 1 17 ? 11.875 -1.362 1.982 1.00 94.39 17 A 1 ATOM 124 N N . ALA A 1 18 ? 12.699 -0.289 4.887 1.00 94.27 18 A 1 ATOM 125 C CA . ALA A 1 18 ? 13.591 0.562 5.678 1.00 92.66 18 A 1 ATOM 126 C C . ALA A 1 18 ? 13.609 0.127 7.142 1.00 90.65 18 A 1 ATOM 127 O O . ALA A 1 18 ? 13.012 0.808 7.987 1.00 87.92 18 A 1 ATOM 128 C CB . ALA A 1 18 ? 13.166 2.009 5.555 1.00 89.18 18 A 1 ATOM 129 O OXT . ALA A 1 18 ? 14.234 -0.913 7.431 1.00 80.82 18 A 1 #