# 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_spkb32481 # _entry.id spkb32481 # 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" "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" "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" # _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 SER 2 1 n PHE 3 1 n LEU 4 1 n LEU 5 1 n PHE 6 1 n ILE 7 1 n THR 8 1 n LEU 9 1 n GLY 10 1 n LEU 11 1 n SER 12 1 n LEU 13 1 n THR 14 1 n ALA 15 1 n LEU 16 1 n SER 17 1 n HIS 18 1 n CYS 19 # _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 @ 2025-07-12 01:42:08)" _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 91.91 _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 80.36 1 1 A SER 2 2 88.69 1 2 A PHE 3 2 91.93 1 3 A LEU 4 2 92.84 1 4 A LEU 5 2 93.17 1 5 A PHE 6 2 92.72 1 6 A ILE 7 2 95.46 1 7 A THR 8 2 93.78 1 8 A LEU 9 2 93.44 1 9 A GLY 10 2 97.21 1 10 A LEU 11 2 94.76 1 11 A SER 12 2 95.75 1 12 A LEU 13 2 95.05 1 13 A THR 14 2 95.88 1 14 A ALA 15 2 97.90 1 15 A LEU 16 2 93.81 1 16 A SER 17 2 94.59 1 17 A HIS 18 2 82.85 1 18 A CYS 19 2 83.51 1 19 # _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 SER . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n HIS . 18 A 18 A 19 1 n CYS . 19 A 19 # _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 ? -2.834 14.256 1.780 1.00 86.18 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.353 12.872 1.838 1.00 88.03 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.383 11.901 1.149 1.00 88.66 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.738 11.232 0.181 1.00 87.63 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.714 12.804 1.141 1.00 81.59 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.760 13.606 1.892 1.00 75.39 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.347 13.549 1.054 1.00 72.13 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.316 14.521 2.193 1.00 63.28 1 A 1 ATOM 9 N N . SER A 1 2 ? -1.174 11.846 1.651 1.00 89.70 2 A 1 ATOM 10 C CA . SER A 1 2 ? -0.161 10.954 1.081 1.00 91.75 2 A 1 ATOM 11 C C . SER A 1 2 ? -0.034 9.667 1.894 1.00 92.27 2 A 1 ATOM 12 O O . SER A 1 2 ? 0.332 8.625 1.358 1.00 91.18 2 A 1 ATOM 13 C CB . SER A 1 2 ? 1.179 11.680 1.041 1.00 88.21 2 A 1 ATOM 14 O OG . SER A 1 2 ? 1.522 12.142 2.324 1.00 79.02 2 A 1 ATOM 15 N N . PHE A 1 3 ? -0.346 9.738 3.186 1.00 94.05 3 A 1 ATOM 16 C CA . PHE A 1 3 ? -0.254 8.566 4.063 1.00 94.83 3 A 1 ATOM 17 C C . PHE A 1 3 ? -1.241 7.480 3.626 1.00 96.06 3 A 1 ATOM 18 O O . PHE A 1 3 ? -0.886 6.302 3.555 1.00 95.35 3 A 1 ATOM 19 C CB . PHE A 1 3 ? -0.535 8.992 5.506 1.00 93.86 3 A 1 ATOM 20 C CG . PHE A 1 3 ? -0.256 7.881 6.488 1.00 92.50 3 A 1 ATOM 21 C CD1 . PHE A 1 3 ? 1.042 7.424 6.682 1.00 90.03 3 A 1 ATOM 22 C CD2 . PHE A 1 3 ? -1.291 7.303 7.209 1.00 90.00 3 A 1 ATOM 23 C CE1 . PHE A 1 3 ? 1.308 6.396 7.584 1.00 88.43 3 A 1 ATOM 24 C CE2 . PHE A 1 3 ? -1.032 6.273 8.117 1.00 87.69 3 A 1 ATOM 25 C CZ . PHE A 1 3 ? 0.267 5.822 8.303 1.00 88.48 3 A 1 ATOM 26 N N . LEU A 1 4 ? -2.476 7.873 3.324 1.00 95.65 4 A 1 ATOM 27 C CA . LEU A 1 4 ? -3.498 6.914 2.881 1.00 96.17 4 A 1 ATOM 28 C C . LEU A 1 4 ? -3.089 6.262 1.563 1.00 96.71 4 A 1 ATOM 29 O O . LEU A 1 4 ? -3.264 5.058 1.377 1.00 96.78 4 A 1 ATOM 30 C CB . LEU A 1 4 ? -4.835 7.641 2.714 1.00 96.30 4 A 1 ATOM 31 C CG . LEU A 1 4 ? -5.528 7.913 4.047 1.00 89.13 4 A 1 ATOM 32 C CD1 . LEU A 1 4 ? -6.627 8.950 3.869 1.00 85.77 4 A 1 ATOM 33 C CD2 . LEU A 1 4 ? -6.129 6.624 4.605 1.00 86.20 4 A 1 ATOM 34 N N . LEU A 1 5 ? -2.535 7.048 0.657 1.00 96.79 5 A 1 ATOM 35 C CA . LEU A 1 5 ? -2.083 6.525 -0.637 1.00 96.64 5 A 1 ATOM 36 C C . LEU A 1 5 ? -0.936 5.538 -0.441 1.00 96.90 5 A 1 ATOM 37 O O . LEU A 1 5 ? -0.864 4.515 -1.120 1.00 96.86 5 A 1 ATOM 38 C CB . LEU A 1 5 ? -1.636 7.689 -1.523 1.00 96.61 5 A 1 ATOM 39 C CG . LEU A 1 5 ? -2.817 8.445 -2.133 1.00 89.20 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? -2.350 9.787 -2.686 1.00 85.89 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? -3.439 7.621 -3.263 1.00 86.50 5 A 1 ATOM 42 N N . PHE A 1 6 ? -0.044 5.843 0.490 1.00 95.68 6 A 1 ATOM 43 C CA . PHE A 1 6 ? 1.098 4.969 0.771 1.00 95.83 6 A 1 ATOM 44 C C . PHE A 1 6 ? 0.617 3.623 1.308 1.00 96.74 6 A 1 ATOM 45 O O . PHE A 1 6 ? 1.137 2.573 0.930 1.00 96.52 6 A 1 ATOM 46 C CB . PHE A 1 6 ? 2.014 5.651 1.785 1.00 95.24 6 A 1 ATOM 47 C CG . PHE A 1 6 ? 3.458 5.257 1.579 1.00 92.98 6 A 1 ATOM 48 C CD1 . PHE A 1 6 ? 3.950 4.072 2.107 1.00 90.24 6 A 1 ATOM 49 C CD2 . PHE A 1 6 ? 4.309 6.082 0.850 1.00 89.89 6 A 1 ATOM 50 C CE1 . PHE A 1 6 ? 5.279 3.704 1.908 1.00 88.62 6 A 1 ATOM 51 C CE2 . PHE A 1 6 ? 5.641 5.721 0.653 1.00 88.59 6 A 1 ATOM 52 C CZ . PHE A 1 6 ? 6.127 4.531 1.181 1.00 89.63 6 A 1 ATOM 53 N N . ILE A 1 7 ? -0.385 3.648 2.178 1.00 96.74 7 A 1 ATOM 54 C CA . ILE A 1 7 ? -0.938 2.415 2.749 1.00 96.93 7 A 1 ATOM 55 C C . ILE A 1 7 ? -1.607 1.585 1.652 1.00 97.42 7 A 1 ATOM 56 O O . ILE A 1 7 ? -1.448 0.363 1.600 1.00 97.27 7 A 1 ATOM 57 C CB . ILE A 1 7 ? -1.946 2.747 3.862 1.00 96.87 7 A 1 ATOM 58 C CG1 . ILE A 1 7 ? -1.220 3.376 5.060 1.00 94.86 7 A 1 ATOM 59 C CG2 . ILE A 1 7 ? -2.673 1.470 4.319 1.00 94.05 7 A 1 ATOM 60 C CD1 . ILE A 1 7 ? -2.180 4.051 6.030 1.00 89.54 7 A 1 ATOM 61 N N . THR A 1 8 ? -2.343 2.248 0.785 1.00 96.33 8 A 1 ATOM 62 C CA . THR A 1 8 ? -3.034 1.558 -0.311 1.00 96.32 8 A 1 ATOM 63 C C . THR A 1 8 ? -2.024 0.849 -1.212 1.00 96.65 8 A 1 ATOM 64 O O . THR A 1 8 ? -2.213 -0.312 -1.582 1.00 95.98 8 A 1 ATOM 65 C CB . THR A 1 8 ? -3.846 2.561 -1.134 1.00 95.87 8 A 1 ATOM 66 O OG1 . THR A 1 8 ? -4.721 3.278 -0.273 1.00 88.89 8 A 1 ATOM 67 C CG2 . THR A 1 8 ? -4.687 1.840 -2.186 1.00 86.40 8 A 1 ATOM 68 N N . LEU A 1 9 ? -0.949 1.542 -1.550 1.00 96.71 9 A 1 ATOM 69 C CA . LEU A 1 9 ? 0.091 0.957 -2.402 1.00 96.70 9 A 1 ATOM 70 C C . LEU A 1 9 ? 0.808 -0.172 -1.666 1.00 97.21 9 A 1 ATOM 71 O O . LEU A 1 9 ? 1.146 -1.194 -2.264 1.00 96.98 9 A 1 ATOM 72 C CB . LEU A 1 9 ? 1.086 2.049 -2.797 1.00 96.32 9 A 1 ATOM 73 C CG . LEU A 1 9 ? 0.508 3.031 -3.819 1.00 90.39 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? 1.383 4.272 -3.904 1.00 86.49 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? 0.420 2.369 -5.196 1.00 86.74 9 A 1 ATOM 76 N N . GLY A 1 10 ? 1.036 0.017 -0.378 1.00 97.06 10 A 1 ATOM 77 C CA . GLY A 1 10 ? 1.698 -1.010 0.428 1.00 97.19 10 A 1 ATOM 78 C C . GLY A 1 10 ? 0.887 -2.292 0.472 1.00 97.51 10 A 1 ATOM 79 O O . GLY A 1 10 ? 1.436 -3.391 0.386 1.00 97.08 10 A 1 ATOM 80 N N . LEU A 1 11 ? -0.425 -2.156 0.593 1.00 97.35 11 A 1 ATOM 81 C CA . LEU A 1 11 ? -1.321 -3.319 0.638 1.00 97.39 11 A 1 ATOM 82 C C . LEU A 1 11 ? -1.270 -4.073 -0.687 1.00 97.79 11 A 1 ATOM 83 O O . LEU A 1 11 ? -1.292 -5.306 -0.713 1.00 97.55 11 A 1 ATOM 84 C CB . LEU A 1 11 ? -2.743 -2.844 0.947 1.00 97.10 11 A 1 ATOM 85 C CG . LEU A 1 11 ? -3.567 -3.909 1.679 1.00 92.47 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? -4.641 -3.240 2.530 1.00 89.21 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? -4.218 -4.872 0.704 1.00 89.25 11 A 1 ATOM 88 N N . SER A 1 12 ? -1.180 -3.345 -1.782 1.00 97.36 12 A 1 ATOM 89 C CA . SER A 1 12 ? -1.101 -3.953 -3.112 1.00 97.34 12 A 1 ATOM 90 C C . SER A 1 12 ? 0.167 -4.787 -3.240 1.00 97.61 12 A 1 ATOM 91 O O . SER A 1 12 ? 0.144 -5.891 -3.783 1.00 96.79 12 A 1 ATOM 92 C CB . SER A 1 12 ? -1.118 -2.867 -4.183 1.00 96.74 12 A 1 ATOM 93 O OG . SER A 1 12 ? -1.162 -3.460 -5.463 1.00 88.65 12 A 1 ATOM 94 N N . LEU A 1 13 ? 1.271 -4.272 -2.721 1.00 97.74 13 A 1 ATOM 95 C CA . LEU A 1 13 ? 2.548 -4.992 -2.775 1.00 97.72 13 A 1 ATOM 96 C C . LEU A 1 13 ? 2.475 -6.262 -1.937 1.00 97.98 13 A 1 ATOM 97 O O . LEU A 1 13 ? 3.005 -7.303 -2.330 1.00 97.71 13 A 1 ATOM 98 C CB . LEU A 1 13 ? 3.660 -4.081 -2.259 1.00 97.41 13 A 1 ATOM 99 C CG . LEU A 1 13 ? 4.065 -3.019 -3.282 1.00 93.04 13 A 1 ATOM 100 C CD1 . LEU A 1 13 ? 4.838 -1.902 -2.602 1.00 88.99 13 A 1 ATOM 101 C CD2 . LEU A 1 13 ? 4.925 -3.648 -4.378 1.00 89.85 13 A 1 ATOM 102 N N . THR A 1 14 ? 1.811 -6.177 -0.796 1.00 97.97 14 A 1 ATOM 103 C CA . THR A 1 14 ? 1.659 -7.340 0.083 1.00 97.76 14 A 1 ATOM 104 C C . THR A 1 14 ? 0.859 -8.431 -0.620 1.00 97.85 14 A 1 ATOM 105 O O . THR A 1 14 ? 1.205 -9.613 -0.540 1.00 97.37 14 A 1 ATOM 106 C CB . THR A 1 14 ? 0.956 -6.931 1.377 1.00 97.04 14 A 1 ATOM 107 O OG1 . THR A 1 14 ? 1.666 -5.850 1.976 1.00 91.61 14 A 1 ATOM 108 C CG2 . THR A 1 14 ? 0.923 -8.090 2.362 1.00 91.54 14 A 1 ATOM 109 N N . ALA A 1 15 ? -0.202 -8.048 -1.306 1.00 98.17 15 A 1 ATOM 110 C CA . ALA A 1 15 ? -1.039 -9.007 -2.035 1.00 98.03 15 A 1 ATOM 111 C C . ALA A 1 15 ? -0.249 -9.650 -3.174 1.00 98.13 15 A 1 ATOM 112 O O . ALA A 1 15 ? -0.367 -10.850 -3.420 1.00 97.60 15 A 1 ATOM 113 C CB . ALA A 1 15 ? -2.274 -8.296 -2.581 1.00 97.58 15 A 1 ATOM 114 N N . LEU A 1 16 ? 0.566 -8.859 -3.852 1.00 97.83 16 A 1 ATOM 115 C CA . LEU A 1 16 ? 1.385 -9.370 -4.957 1.00 97.51 16 A 1 ATOM 116 C C . LEU A 1 16 ? 2.422 -10.358 -4.442 1.00 97.50 16 A 1 ATOM 117 O O . LEU A 1 16 ? 2.708 -11.358 -5.100 1.00 96.81 16 A 1 ATOM 118 C CB . LEU A 1 16 ? 2.078 -8.197 -5.656 1.00 97.01 16 A 1 ATOM 119 C CG . LEU A 1 16 ? 1.190 -7.530 -6.703 1.00 92.32 16 A 1 ATOM 120 C CD1 . LEU A 1 16 ? 1.717 -6.143 -7.039 1.00 86.43 16 A 1 ATOM 121 C CD2 . LEU A 1 16 ? 1.146 -8.381 -7.971 1.00 85.08 16 A 1 ATOM 122 N N . SER A 1 17 ? 2.975 -10.100 -3.273 1.00 97.62 17 A 1 ATOM 123 C CA . SER A 1 17 ? 3.983 -10.987 -2.685 1.00 97.27 17 A 1 ATOM 124 C C . SER A 1 17 ? 3.409 -12.380 -2.458 1.00 97.14 17 A 1 ATOM 125 O O . SER A 1 17 ? 4.107 -13.380 -2.619 1.00 95.75 17 A 1 ATOM 126 C CB . SER A 1 17 ? 4.468 -10.407 -1.359 1.00 95.90 17 A 1 ATOM 127 O OG . SER A 1 17 ? 3.460 -10.507 -0.379 1.00 83.86 17 A 1 ATOM 128 N N . HIS A 1 18 ? 2.132 -12.443 -2.082 1.00 94.95 18 A 1 ATOM 129 C CA . HIS A 1 18 ? 1.461 -13.723 -1.852 1.00 93.05 18 A 1 ATOM 130 C C . HIS A 1 18 ? 0.993 -14.340 -3.169 1.00 92.21 18 A 1 ATOM 131 O O . HIS A 1 18 ? 0.942 -15.564 -3.303 1.00 86.71 18 A 1 ATOM 132 C CB . HIS A 1 18 ? 0.265 -13.526 -0.919 1.00 90.11 18 A 1 ATOM 133 C CG . HIS A 1 18 ? -0.243 -14.829 -0.382 1.00 83.71 18 A 1 ATOM 134 N ND1 . HIS A 1 18 ? -1.331 -15.477 -0.890 1.00 73.14 18 A 1 ATOM 135 C CD2 . HIS A 1 18 ? 0.227 -15.596 0.630 1.00 70.45 18 A 1 ATOM 136 C CE1 . HIS A 1 18 ? -1.515 -16.602 -0.200 1.00 71.83 18 A 1 ATOM 137 N NE2 . HIS A 1 18 ? -0.584 -16.706 0.733 1.00 72.32 18 A 1 ATOM 138 N N . CYS A 1 19 ? 0.673 -13.486 -4.143 1.00 92.73 19 A 1 ATOM 139 C CA . CYS A 1 19 ? 0.196 -13.913 -5.468 1.00 89.66 19 A 1 ATOM 140 C C . CYS A 1 19 ? -1.110 -14.708 -5.375 1.00 88.33 19 A 1 ATOM 141 O O . CYS A 1 19 ? -1.343 -15.394 -4.369 1.00 84.04 19 A 1 ATOM 142 C CB . CYS A 1 19 ? 1.271 -14.742 -6.184 1.00 83.79 19 A 1 ATOM 143 S SG . CYS A 1 19 ? 2.643 -13.732 -6.806 1.00 74.63 19 A 1 ATOM 144 O OXT . CYS A 1 19 ? -1.917 -14.632 -6.329 1.00 71.36 19 A 1 #