# 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_spkb27002 # _entry.id spkb27002 # 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 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" "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 TYR 3 1 n LEU 4 1 n VAL 5 1 n LEU 6 1 n ALA 7 1 n LEU 8 1 n CYS 9 1 n THR 10 1 n TYR 11 1 n LEU 12 1 n CYS 13 1 n SER 14 1 n GLN 15 1 n SER 16 1 n GLY 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 @ 2025-07-13 14:55:32)" _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 91.55 _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 87.97 1 1 A LYS 2 2 87.77 1 2 A TYR 3 2 93.67 1 3 A LEU 4 2 93.29 1 4 A VAL 5 2 96.67 1 5 A LEU 6 2 94.08 1 6 A ALA 7 2 97.43 1 7 A LEU 8 2 94.22 1 8 A CYS 9 2 95.01 1 9 A THR 10 2 93.78 1 10 A TYR 11 2 94.27 1 11 A LEU 12 2 93.34 1 12 A CYS 13 2 94.22 1 13 A SER 14 2 93.59 1 14 A GLN 15 2 87.38 1 15 A SER 16 2 87.87 1 16 A GLY 17 2 83.27 1 17 A ALA 18 2 74.52 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 TYR . 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 ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n TYR . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n GLN . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n GLY . 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 ? 11.435 -4.297 0.460 1.00 94.11 1 A 1 ATOM 2 C CA . MET A 1 1 ? 11.138 -3.006 1.132 1.00 94.90 1 A 1 ATOM 3 C C . MET A 1 1 ? 9.702 -3.014 1.665 1.00 95.82 1 A 1 ATOM 4 O O . MET A 1 1 ? 8.748 -2.963 0.886 1.00 93.38 1 A 1 ATOM 5 C CB . MET A 1 1 ? 11.312 -1.829 0.172 1.00 91.20 1 A 1 ATOM 6 C CG . MET A 1 1 ? 12.747 -1.694 -0.353 1.00 85.84 1 A 1 ATOM 7 S SD . MET A 1 1 ? 13.207 -2.998 -1.494 1.00 79.12 1 A 1 ATOM 8 C CE . MET A 1 1 ? 14.870 -2.493 -1.890 1.00 69.41 1 A 1 ATOM 9 N N . LYS A 1 2 ? 9.558 -3.083 2.988 1.00 95.98 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 8.248 -3.131 3.638 1.00 95.87 2 A 1 ATOM 11 C C . LYS A 1 2 ? 7.477 -1.817 3.495 1.00 96.27 2 A 1 ATOM 12 O O . LYS A 1 2 ? 6.245 -1.810 3.501 1.00 95.97 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 8.416 -3.502 5.118 1.00 94.76 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 9.307 -2.548 5.892 1.00 86.05 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 9.673 -3.123 7.247 1.00 82.79 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 10.647 -2.223 7.984 1.00 74.68 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 11.171 -2.886 9.204 1.00 67.60 2 A 1 ATOM 18 N N . TYR A 1 3 ? 8.206 -0.722 3.360 1.00 96.69 3 A 1 ATOM 19 C CA . TYR A 1 3 ? 7.586 0.594 3.211 1.00 97.16 3 A 1 ATOM 20 C C . TYR A 1 3 ? 6.853 0.716 1.875 1.00 97.47 3 A 1 ATOM 21 O O . TYR A 1 3 ? 5.818 1.378 1.780 1.00 96.80 3 A 1 ATOM 22 C CB . TYR A 1 3 ? 8.648 1.690 3.333 1.00 96.87 3 A 1 ATOM 23 C CG . TYR A 1 3 ? 9.352 1.695 4.674 1.00 94.07 3 A 1 ATOM 24 C CD1 . TYR A 1 3 ? 8.717 2.200 5.804 1.00 91.20 3 A 1 ATOM 25 C CD2 . TYR A 1 3 ? 10.637 1.195 4.796 1.00 91.23 3 A 1 ATOM 26 C CE1 . TYR A 1 3 ? 9.359 2.203 7.033 1.00 90.41 3 A 1 ATOM 27 C CE2 . TYR A 1 3 ? 11.283 1.192 6.029 1.00 90.84 3 A 1 ATOM 28 C CZ . TYR A 1 3 ? 10.638 1.699 7.140 1.00 91.62 3 A 1 ATOM 29 O OH . TYR A 1 3 ? 11.275 1.696 8.351 1.00 89.70 3 A 1 ATOM 30 N N . LEU A 1 4 ? 7.373 0.048 0.852 1.00 97.10 4 A 1 ATOM 31 C CA . LEU A 1 4 ? 6.741 0.038 -0.460 1.00 97.15 4 A 1 ATOM 32 C C . LEU A 1 4 ? 5.411 -0.705 -0.402 1.00 97.44 4 A 1 ATOM 33 O O . LEU A 1 4 ? 4.448 -0.328 -1.066 1.00 96.89 4 A 1 ATOM 34 C CB . LEU A 1 4 ? 7.659 -0.607 -1.502 1.00 96.84 4 A 1 ATOM 35 C CG . LEU A 1 4 ? 8.704 0.331 -2.110 1.00 89.91 4 A 1 ATOM 36 C CD1 . LEU A 1 4 ? 9.769 0.717 -1.090 1.00 85.37 4 A 1 ATOM 37 C CD2 . LEU A 1 4 ? 9.351 -0.314 -3.327 1.00 85.59 4 A 1 ATOM 38 N N . VAL A 1 5 ? 5.361 -1.755 0.410 1.00 97.98 5 A 1 ATOM 39 C CA . VAL A 1 5 ? 4.140 -2.532 0.603 1.00 97.79 5 A 1 ATOM 40 C C . VAL A 1 5 ? 3.070 -1.668 1.269 1.00 97.78 5 A 1 ATOM 41 O O . VAL A 1 5 ? 1.892 -1.729 0.907 1.00 97.25 5 A 1 ATOM 42 C CB . VAL A 1 5 ? 4.408 -3.795 1.449 1.00 97.31 5 A 1 ATOM 43 C CG1 . VAL A 1 5 ? 3.131 -4.603 1.637 1.00 94.26 5 A 1 ATOM 44 C CG2 . VAL A 1 5 ? 5.481 -4.656 0.798 1.00 94.30 5 A 1 ATOM 45 N N . LEU A 1 6 ? 3.486 -0.860 2.232 1.00 97.63 6 A 1 ATOM 46 C CA . LEU A 1 6 ? 2.580 0.054 2.924 1.00 97.46 6 A 1 ATOM 47 C C . LEU A 1 6 ? 2.002 1.082 1.955 1.00 97.61 6 A 1 ATOM 48 O O . LEU A 1 6 ? 0.805 1.372 1.977 1.00 97.47 6 A 1 ATOM 49 C CB . LEU A 1 6 ? 3.309 0.766 4.074 1.00 97.21 6 A 1 ATOM 50 C CG . LEU A 1 6 ? 2.946 0.290 5.482 1.00 90.79 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? 1.495 0.597 5.790 1.00 87.05 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? 3.231 -1.195 5.639 1.00 87.44 6 A 1 ATOM 53 N N . ALA A 1 7 ? 2.863 1.626 1.103 1.00 97.51 7 A 1 ATOM 54 C CA . ALA A 1 7 ? 2.439 2.597 0.100 1.00 97.50 7 A 1 ATOM 55 C C . ALA A 1 7 ? 1.456 1.968 -0.885 1.00 97.68 7 A 1 ATOM 56 O O . ALA A 1 7 ? 0.452 2.583 -1.253 1.00 97.15 7 A 1 ATOM 57 C CB . ALA A 1 7 ? 3.660 3.143 -0.641 1.00 97.32 7 A 1 ATOM 58 N N . LEU A 1 8 ? 1.730 0.734 -1.278 1.00 96.78 8 A 1 ATOM 59 C CA . LEU A 1 8 ? 0.858 -0.007 -2.182 1.00 96.51 8 A 1 ATOM 60 C C . LEU A 1 8 ? -0.486 -0.285 -1.521 1.00 96.99 8 A 1 ATOM 61 O O . LEU A 1 8 ? -1.532 -0.188 -2.160 1.00 96.75 8 A 1 ATOM 62 C CB . LEU A 1 8 ? 1.528 -1.323 -2.594 1.00 96.20 8 A 1 ATOM 63 C CG . LEU A 1 8 ? 0.743 -2.152 -3.616 1.00 92.82 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? 0.607 -1.408 -4.939 1.00 88.78 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? 1.426 -3.496 -3.839 1.00 88.89 8 A 1 ATOM 66 N N . CYS A 1 9 ? -0.457 -0.623 -0.241 1.00 96.58 9 A 1 ATOM 67 C CA . CYS A 1 9 ? -1.664 -0.884 0.532 1.00 96.45 9 A 1 ATOM 68 C C . CYS A 1 9 ? -2.556 0.352 0.572 1.00 96.91 9 A 1 ATOM 69 O O . CYS A 1 9 ? -3.771 0.260 0.404 1.00 96.37 9 A 1 ATOM 70 C CB . CYS A 1 9 ? -1.298 -1.319 1.954 1.00 95.48 9 A 1 ATOM 71 S SG . CYS A 1 9 ? -2.736 -1.748 2.950 1.00 88.26 9 A 1 ATOM 72 N N . THR A 1 10 ? -1.946 1.507 0.778 1.00 96.56 10 A 1 ATOM 73 C CA . THR A 1 10 ? -2.672 2.774 0.804 1.00 96.48 10 A 1 ATOM 74 C C . THR A 1 10 ? -3.295 3.061 -0.560 1.00 96.75 10 A 1 ATOM 75 O O . THR A 1 10 ? -4.440 3.511 -0.650 1.00 96.25 10 A 1 ATOM 76 C CB . THR A 1 10 ? -1.735 3.924 1.201 1.00 95.89 10 A 1 ATOM 77 O OG1 . THR A 1 10 ? -1.133 3.646 2.460 1.00 88.42 10 A 1 ATOM 78 C CG2 . THR A 1 10 ? -2.498 5.237 1.305 1.00 86.13 10 A 1 ATOM 79 N N . TYR A 1 11 ? -2.550 2.780 -1.610 1.00 96.94 11 A 1 ATOM 80 C CA . TYR A 1 11 ? -3.028 2.961 -2.977 1.00 96.79 11 A 1 ATOM 81 C C . TYR A 1 11 ? -4.240 2.074 -3.252 1.00 96.92 11 A 1 ATOM 82 O O . TYR A 1 11 ? -5.259 2.538 -3.775 1.00 96.21 11 A 1 ATOM 83 C CB . TYR A 1 11 ? -1.901 2.647 -3.967 1.00 96.59 11 A 1 ATOM 84 C CG . TYR A 1 11 ? -2.332 2.731 -5.416 1.00 95.13 11 A 1 ATOM 85 C CD1 . TYR A 1 11 ? -2.451 3.967 -6.052 1.00 91.96 11 A 1 ATOM 86 C CD2 . TYR A 1 11 ? -2.620 1.578 -6.138 1.00 92.42 11 A 1 ATOM 87 C CE1 . TYR A 1 11 ? -2.850 4.041 -7.380 1.00 91.94 11 A 1 ATOM 88 C CE2 . TYR A 1 11 ? -3.024 1.650 -7.469 1.00 92.22 11 A 1 ATOM 89 C CZ . TYR A 1 11 ? -3.136 2.884 -8.079 1.00 92.88 11 A 1 ATOM 90 O OH . TYR A 1 11 ? -3.537 2.957 -9.388 1.00 91.22 11 A 1 ATOM 91 N N . LEU A 1 12 ? -4.135 0.805 -2.879 1.00 97.06 12 A 1 ATOM 92 C CA . LEU A 1 12 ? -5.217 -0.150 -3.077 1.00 96.43 12 A 1 ATOM 93 C C . LEU A 1 12 ? -6.425 0.206 -2.220 1.00 96.56 12 A 1 ATOM 94 O O . LEU A 1 12 ? -7.567 0.069 -2.660 1.00 95.95 12 A 1 ATOM 95 C CB . LEU A 1 12 ? -4.735 -1.567 -2.743 1.00 95.88 12 A 1 ATOM 96 C CG . LEU A 1 12 ? -3.693 -2.134 -3.711 1.00 91.45 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? -3.131 -3.446 -3.172 1.00 86.24 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? -4.292 -2.347 -5.093 1.00 87.14 12 A 1 ATOM 99 N N . CYS A 1 13 ? -6.179 0.676 -1.003 1.00 96.34 13 A 1 ATOM 100 C CA . CYS A 1 13 ? -7.239 1.086 -0.091 1.00 95.86 13 A 1 ATOM 101 C C . CYS A 1 13 ? -8.030 2.251 -0.674 1.00 95.89 13 A 1 ATOM 102 O O . CYS A 1 13 ? -9.256 2.275 -0.611 1.00 94.54 13 A 1 ATOM 103 C CB . CYS A 1 13 ? -6.652 1.477 1.267 1.00 94.13 13 A 1 ATOM 104 S SG . CYS A 1 13 ? -7.910 1.932 2.467 1.00 88.54 13 A 1 ATOM 105 N N . SER A 1 14 ? -7.317 3.210 -1.256 1.00 96.87 14 A 1 ATOM 106 C CA . SER A 1 14 ? -7.943 4.371 -1.878 1.00 96.45 14 A 1 ATOM 107 C C . SER A 1 14 ? -8.748 3.966 -3.110 1.00 96.24 14 A 1 ATOM 108 O O . SER A 1 14 ? -9.847 4.468 -3.341 1.00 94.18 14 A 1 ATOM 109 C CB . SER A 1 14 ? -6.880 5.398 -2.268 1.00 95.01 14 A 1 ATOM 110 O OG . SER A 1 14 ? -7.485 6.566 -2.786 1.00 82.77 14 A 1 ATOM 111 N N . GLN A 1 15 ? -8.195 3.033 -3.887 1.00 95.96 15 A 1 ATOM 112 C CA . GLN A 1 15 ? -8.840 2.551 -5.103 1.00 95.58 15 A 1 ATOM 113 C C . GLN A 1 15 ? -10.090 1.730 -4.797 1.00 95.04 15 A 1 ATOM 114 O O . GLN A 1 15 ? -11.125 1.887 -5.448 1.00 90.75 15 A 1 ATOM 115 C CB . GLN A 1 15 ? -7.841 1.715 -5.913 1.00 93.63 15 A 1 ATOM 116 C CG . GLN A 1 15 ? -8.315 1.389 -7.315 1.00 85.20 15 A 1 ATOM 117 C CD . GLN A 1 15 ? -8.379 2.619 -8.204 1.00 82.06 15 A 1 ATOM 118 O OE1 . GLN A 1 15 ? -9.349 2.831 -8.912 1.00 75.41 15 A 1 ATOM 119 N NE2 . GLN A 1 15 ? -7.342 3.431 -8.194 1.00 72.78 15 A 1 ATOM 120 N N . SER A 1 16 ? -9.988 0.865 -3.787 1.00 94.04 16 A 1 ATOM 121 C CA . SER A 1 16 ? -11.093 -0.015 -3.409 1.00 92.69 16 A 1 ATOM 122 C C . SER A 1 16 ? -12.097 0.676 -2.488 1.00 91.75 16 A 1 ATOM 123 O O . SER A 1 16 ? -13.263 0.288 -2.423 1.00 85.27 16 A 1 ATOM 124 C CB . SER A 1 16 ? -10.559 -1.278 -2.728 1.00 89.22 16 A 1 ATOM 125 O OG . SER A 1 16 ? -9.711 -1.998 -3.602 1.00 74.26 16 A 1 ATOM 126 N N . GLY A 1 17 ? -11.634 1.689 -1.764 1.00 87.77 17 A 1 ATOM 127 C CA . GLY A 1 17 ? -12.476 2.412 -0.814 1.00 84.22 17 A 1 ATOM 128 C C . GLY A 1 17 ? -13.394 3.434 -1.461 1.00 83.28 17 A 1 ATOM 129 O O . GLY A 1 17 ? -14.320 3.939 -0.823 1.00 77.80 17 A 1 ATOM 130 N N . ALA A 1 18 ? -13.169 3.729 -2.728 1.00 84.14 18 A 1 ATOM 131 C CA . ALA A 1 18 ? -13.951 4.715 -3.466 1.00 80.87 18 A 1 ATOM 132 C C . ALA A 1 18 ? -14.834 4.031 -4.512 1.00 76.86 18 A 1 ATOM 133 O O . ALA A 1 18 ? -14.323 3.634 -5.566 1.00 69.11 18 A 1 ATOM 134 C CB . ALA A 1 18 ? -13.028 5.730 -4.118 1.00 72.81 18 A 1 ATOM 135 O OXT . ALA A 1 18 ? -16.049 3.912 -4.275 1.00 63.30 18 A 1 #