# 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_spkb32477 # _entry.id spkb32477 # 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 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "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" "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" "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 VAL 3 1 n CYS 4 1 n ARG 5 1 n ILE 6 1 n HIS 7 1 n CYS 8 1 n ALA 9 1 n LEU 10 1 n ALA 11 1 n LEU 12 1 n LEU 13 1 n GLY 14 1 n LEU 15 1 n ALA 16 1 n LEU 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 @ 2025-07-11 23:18:26)" _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 94.53 _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 86.45 1 1 A LYS 2 2 90.61 1 2 A VAL 3 2 96.23 1 3 A CYS 4 2 95.18 1 4 A ARG 5 2 91.73 1 5 A ILE 6 2 96.43 1 6 A HIS 7 2 93.96 1 7 A CYS 8 2 96.25 1 8 A ALA 9 2 97.88 1 9 A LEU 10 2 96.59 1 10 A ALA 11 2 97.81 1 11 A LEU 12 2 96.71 1 12 A LEU 13 2 95.66 1 13 A GLY 14 2 98.10 1 14 A LEU 15 2 94.95 1 15 A ALA 16 2 98.01 1 16 A LEU 17 2 95.04 1 17 A ALA 18 2 91.10 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 VAL . 3 A 3 A 4 1 n CYS . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n HIS . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 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 ? 4.528 3.549 -11.787 1.00 90.72 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.558 2.730 -11.026 1.00 92.62 1 A 1 ATOM 3 C C . MET A 1 1 ? 3.171 3.413 -9.721 1.00 94.15 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.908 3.364 -8.748 1.00 90.37 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.173 1.373 -10.708 1.00 88.99 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.946 0.396 -11.834 1.00 84.81 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.764 -1.168 -11.537 1.00 80.05 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.537 -1.967 -10.523 1.00 69.90 1 A 1 ATOM 9 N N . LYS A 1 2 ? 2.033 4.068 -9.725 1.00 93.95 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 1.544 4.745 -8.521 1.00 95.67 2 A 1 ATOM 11 C C . LYS A 1 2 ? 0.446 3.916 -7.864 1.00 96.57 2 A 1 ATOM 12 O O . LYS A 1 2 ? 0.130 4.116 -6.695 1.00 95.68 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 0.987 6.113 -8.899 1.00 94.73 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 1.926 6.893 -9.801 1.00 89.75 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 1.234 8.120 -10.360 1.00 87.81 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 1.961 8.639 -11.582 1.00 82.77 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 1.141 9.648 -12.286 1.00 78.57 2 A 1 ATOM 18 N N . VAL A 1 3 ? -0.122 3.001 -8.617 1.00 97.16 3 A 1 ATOM 19 C CA . VAL A 1 3 ? -1.199 2.147 -8.106 1.00 97.35 3 A 1 ATOM 20 C C . VAL A 1 3 ? -0.718 1.330 -6.917 1.00 97.64 3 A 1 ATOM 21 O O . VAL A 1 3 ? -1.441 1.158 -5.936 1.00 97.09 3 A 1 ATOM 22 C CB . VAL A 1 3 ? -1.703 1.205 -9.202 1.00 96.76 3 A 1 ATOM 23 C CG1 . VAL A 1 3 ? -2.896 0.408 -8.698 1.00 93.42 3 A 1 ATOM 24 C CG2 . VAL A 1 3 ? -2.087 1.998 -10.443 1.00 94.18 3 A 1 ATOM 25 N N . CYS A 1 4 ? 0.504 0.835 -7.010 1.00 95.99 4 A 1 ATOM 26 C CA . CYS A 1 4 ? 1.064 0.031 -5.920 1.00 96.18 4 A 1 ATOM 27 C C . CYS A 1 4 ? 1.092 0.828 -4.626 1.00 96.71 4 A 1 ATOM 28 O O . CYS A 1 4 ? 0.624 0.368 -3.594 1.00 96.00 4 A 1 ATOM 29 C CB . CYS A 1 4 ? 2.476 -0.419 -6.269 1.00 95.29 4 A 1 ATOM 30 S SG . CYS A 1 4 ? 3.228 -1.348 -4.903 1.00 90.92 4 A 1 ATOM 31 N N . ARG A 1 5 ? 1.634 2.043 -4.705 1.00 96.58 5 A 1 ATOM 32 C CA . ARG A 1 5 ? 1.734 2.876 -3.502 1.00 97.43 5 A 1 ATOM 33 C C . ARG A 1 5 ? 0.360 3.128 -2.898 1.00 97.89 5 A 1 ATOM 34 O O . ARG A 1 5 ? 0.184 3.053 -1.687 1.00 97.54 5 A 1 ATOM 35 C CB . ARG A 1 5 ? 2.405 4.193 -3.852 1.00 97.22 5 A 1 ATOM 36 C CG . ARG A 1 5 ? 3.909 4.028 -3.829 1.00 94.74 5 A 1 ATOM 37 C CD . ARG A 1 5 ? 4.586 5.266 -4.370 1.00 91.58 5 A 1 ATOM 38 N NE . ARG A 1 5 ? 4.365 5.355 -5.820 1.00 87.20 5 A 1 ATOM 39 C CZ . ARG A 1 5 ? 5.256 5.866 -6.650 1.00 86.60 5 A 1 ATOM 40 N NH1 . ARG A 1 5 ? 6.397 6.345 -6.214 1.00 80.82 5 A 1 ATOM 41 N NH2 . ARG A 1 5 ? 4.998 5.890 -7.931 1.00 81.46 5 A 1 ATOM 42 N N . ILE A 1 6 ? -0.605 3.410 -3.749 1.00 97.32 6 A 1 ATOM 43 C CA . ILE A 1 6 ? -1.968 3.661 -3.275 1.00 97.40 6 A 1 ATOM 44 C C . ILE A 1 6 ? -2.547 2.405 -2.633 1.00 97.63 6 A 1 ATOM 45 O O . ILE A 1 6 ? -3.065 2.440 -1.517 1.00 97.35 6 A 1 ATOM 46 C CB . ILE A 1 6 ? -2.851 4.096 -4.445 1.00 97.53 6 A 1 ATOM 47 C CG1 . ILE A 1 6 ? -2.300 5.381 -5.068 1.00 96.04 6 A 1 ATOM 48 C CG2 . ILE A 1 6 ? -4.279 4.328 -3.951 1.00 95.92 6 A 1 ATOM 49 C CD1 . ILE A 1 6 ? -2.875 5.612 -6.456 1.00 92.24 6 A 1 ATOM 50 N N . HIS A 1 7 ? -2.443 1.300 -3.360 1.00 97.23 7 A 1 ATOM 51 C CA . HIS A 1 7 ? -2.982 0.038 -2.854 1.00 97.12 7 A 1 ATOM 52 C C . HIS A 1 7 ? -2.109 -0.506 -1.731 1.00 97.61 7 A 1 ATOM 53 O O . HIS A 1 7 ? -2.610 -1.055 -0.751 1.00 97.31 7 A 1 ATOM 54 C CB . HIS A 1 7 ? -3.060 -0.978 -3.996 1.00 96.83 7 A 1 ATOM 55 C CG . HIS A 1 7 ? -4.457 -1.501 -4.180 1.00 94.45 7 A 1 ATOM 56 N ND1 . HIS A 1 7 ? -5.036 -2.418 -3.346 1.00 87.46 7 A 1 ATOM 57 C CD2 . HIS A 1 7 ? -5.388 -1.215 -5.126 1.00 89.60 7 A 1 ATOM 58 C CE1 . HIS A 1 7 ? -6.269 -2.667 -3.787 1.00 90.85 7 A 1 ATOM 59 N NE2 . HIS A 1 7 ? -6.512 -1.954 -4.863 1.00 91.09 7 A 1 ATOM 60 N N . CYS A 1 8 ? -0.802 -0.350 -1.879 1.00 96.91 8 A 1 ATOM 61 C CA . CYS A 1 8 ? 0.137 -0.829 -0.864 1.00 97.08 8 A 1 ATOM 62 C C . CYS A 1 8 ? -0.094 -0.088 0.448 1.00 97.44 8 A 1 ATOM 63 O O . CYS A 1 8 ? -0.062 -0.677 1.521 1.00 96.94 8 A 1 ATOM 64 C CB . CYS A 1 8 ? 1.564 -0.624 -1.364 1.00 96.50 8 A 1 ATOM 65 S SG . CYS A 1 8 ? 1.944 -1.725 -2.766 1.00 92.61 8 A 1 ATOM 66 N N . ALA A 1 9 ? -0.337 1.205 0.344 1.00 97.65 9 A 1 ATOM 67 C CA . ALA A 1 9 ? -0.606 2.001 1.541 1.00 97.87 9 A 1 ATOM 68 C C . ALA A 1 9 ? -1.896 1.527 2.198 1.00 98.21 9 A 1 ATOM 69 O O . ALA A 1 9 ? -1.966 1.374 3.417 1.00 97.95 9 A 1 ATOM 70 C CB . ALA A 1 9 ? -0.721 3.470 1.160 1.00 97.70 9 A 1 ATOM 71 N N . LEU A 1 10 ? -2.902 1.294 1.377 1.00 97.93 10 A 1 ATOM 72 C CA . LEU A 1 10 ? -4.186 0.808 1.885 1.00 98.04 10 A 1 ATOM 73 C C . LEU A 1 10 ? -4.008 -0.571 2.508 1.00 98.34 10 A 1 ATOM 74 O O . LEU A 1 10 ? -4.589 -0.873 3.552 1.00 98.25 10 A 1 ATOM 75 C CB . LEU A 1 10 ? -5.188 0.726 0.736 1.00 97.77 10 A 1 ATOM 76 C CG . LEU A 1 10 ? -6.595 0.400 1.217 1.00 95.17 10 A 1 ATOM 77 C CD1 . LEU A 1 10 ? -7.272 1.647 1.753 1.00 93.33 10 A 1 ATOM 78 C CD2 . LEU A 1 10 ? -7.413 -0.190 0.077 1.00 93.89 10 A 1 ATOM 79 N N . ALA A 1 11 ? -3.212 -1.407 1.863 1.00 97.98 11 A 1 ATOM 80 C CA . ALA A 1 11 ? -2.954 -2.758 2.358 1.00 97.83 11 A 1 ATOM 81 C C . ALA A 1 11 ? -2.248 -2.703 3.705 1.00 98.14 11 A 1 ATOM 82 O O . ALA A 1 11 ? -2.585 -3.449 4.622 1.00 97.68 11 A 1 ATOM 83 C CB . ALA A 1 11 ? -2.106 -3.519 1.348 1.00 97.40 11 A 1 ATOM 84 N N . LEU A 1 12 ? -1.277 -1.812 3.815 1.00 97.98 12 A 1 ATOM 85 C CA . LEU A 1 12 ? -0.528 -1.667 5.064 1.00 98.09 12 A 1 ATOM 86 C C . LEU A 1 12 ? -1.452 -1.191 6.172 1.00 98.37 12 A 1 ATOM 87 O O . LEU A 1 12 ? -1.404 -1.698 7.291 1.00 98.21 12 A 1 ATOM 88 C CB . LEU A 1 12 ? 0.603 -0.659 4.854 1.00 97.81 12 A 1 ATOM 89 C CG . LEU A 1 12 ? 1.736 -1.228 3.999 1.00 95.75 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? 2.696 -0.121 3.588 1.00 93.85 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? 2.484 -2.307 4.778 1.00 93.64 12 A 1 ATOM 92 N N . LEU A 1 13 ? -2.291 -0.219 5.854 1.00 97.57 13 A 1 ATOM 93 C CA . LEU A 1 13 ? -3.236 0.311 6.831 1.00 97.52 13 A 1 ATOM 94 C C . LEU A 1 13 ? -4.235 -0.765 7.231 1.00 98.00 13 A 1 ATOM 95 O O . LEU A 1 13 ? -4.537 -0.941 8.409 1.00 97.65 13 A 1 ATOM 96 C CB . LEU A 1 13 ? -3.965 1.524 6.238 1.00 97.15 13 A 1 ATOM 97 C CG . LEU A 1 13 ? -3.383 2.858 6.693 1.00 94.38 13 A 1 ATOM 98 C CD1 . LEU A 1 13 ? -3.600 3.031 8.185 1.00 91.55 13 A 1 ATOM 99 C CD2 . LEU A 1 13 ? -1.907 2.934 6.364 1.00 91.47 13 A 1 ATOM 100 N N . GLY A 1 14 ? -4.741 -1.481 6.232 1.00 97.98 14 A 1 ATOM 101 C CA . GLY A 1 14 ? -5.698 -2.550 6.502 1.00 97.98 14 A 1 ATOM 102 C C . GLY A 1 14 ? -5.067 -3.669 7.308 1.00 98.30 14 A 1 ATOM 103 O O . GLY A 1 14 ? -5.678 -4.212 8.227 1.00 98.13 14 A 1 ATOM 104 N N . LEU A 1 15 ? -3.833 -4.009 6.963 1.00 97.67 15 A 1 ATOM 105 C CA . LEU A 1 15 ? -3.110 -5.066 7.676 1.00 97.54 15 A 1 ATOM 106 C C . LEU A 1 15 ? -2.818 -4.622 9.102 1.00 97.91 15 A 1 ATOM 107 O O . LEU A 1 15 ? -2.886 -5.419 10.037 1.00 97.26 15 A 1 ATOM 108 C CB . LEU A 1 15 ? -1.798 -5.369 6.953 1.00 97.01 15 A 1 ATOM 109 C CG . LEU A 1 15 ? -1.119 -6.629 7.487 1.00 94.00 15 A 1 ATOM 110 C CD1 . LEU A 1 15 ? -1.840 -7.876 6.998 1.00 89.45 15 A 1 ATOM 111 C CD2 . LEU A 1 15 ? 0.341 -6.664 7.047 1.00 88.79 15 A 1 ATOM 112 N N . ALA A 1 16 ? -2.486 -3.368 9.267 1.00 98.14 16 A 1 ATOM 113 C CA . ALA A 1 16 ? -2.191 -2.822 10.591 1.00 98.13 16 A 1 ATOM 114 C C . ALA A 1 16 ? -3.422 -2.902 11.485 1.00 98.28 16 A 1 ATOM 115 O O . ALA A 1 16 ? -3.313 -3.137 12.687 1.00 97.76 16 A 1 ATOM 116 C CB . ALA A 1 16 ? -1.732 -1.376 10.460 1.00 97.76 16 A 1 ATOM 117 N N . LEU A 1 17 ? -4.592 -2.707 10.890 1.00 97.74 17 A 1 ATOM 118 C CA . LEU A 1 17 ? -5.843 -2.781 11.648 1.00 97.49 17 A 1 ATOM 119 C C . LEU A 1 17 ? -6.078 -4.194 12.149 1.00 97.60 17 A 1 ATOM 120 O O . LEU A 1 17 ? -6.636 -4.394 13.228 1.00 96.48 17 A 1 ATOM 121 C CB . LEU A 1 17 ? -7.015 -2.345 10.763 1.00 96.83 17 A 1 ATOM 122 C CG . LEU A 1 17 ? -7.013 -0.863 10.391 1.00 94.47 17 A 1 ATOM 123 C CD1 . LEU A 1 17 ? -8.433 -0.408 10.110 1.00 90.74 17 A 1 ATOM 124 C CD2 . LEU A 1 17 ? -6.399 -0.012 11.477 1.00 88.96 17 A 1 ATOM 125 N N . ALA A 1 18 ? -5.659 -5.160 11.360 1.00 95.58 18 A 1 ATOM 126 C CA . ALA A 1 18 ? -5.845 -6.560 11.720 1.00 94.61 18 A 1 ATOM 127 C C . ALA A 1 18 ? -4.717 -7.030 12.637 1.00 93.65 18 A 1 ATOM 128 O O . ALA A 1 18 ? -3.545 -6.880 12.274 1.00 88.58 18 A 1 ATOM 129 C CB . ALA A 1 18 ? -5.912 -7.418 10.470 1.00 91.62 18 A 1 ATOM 130 O OXT . ALA A 1 18 ? -5.012 -7.557 13.713 1.00 82.55 18 A 1 #