# 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_spkb36480 # _entry.id spkb36480 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-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 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 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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)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 ASN 2 1 n GLU 3 1 n ASN 4 1 n LEU 5 1 n TRP 6 1 n ALA 7 1 n ALA 8 1 n PRO 9 1 n ALA 10 1 n PRO 11 1 n LYS 12 1 n LYS 13 1 n LEU 14 1 n SER 15 1 n LYS 16 1 n HIS 17 # _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 @ 2025-07-07 04:16:42)" _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 77.13 _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 67.34 1 1 A ASN 2 2 69.97 1 2 A GLU 3 2 73.08 1 3 A ASN 4 2 77.71 1 4 A LEU 5 2 78.17 1 5 A TRP 6 2 75.82 1 6 A ALA 7 2 84.61 1 7 A ALA 8 2 84.80 1 8 A PRO 9 2 86.53 1 9 A ALA 10 2 89.16 1 10 A PRO 11 2 87.67 1 11 A LYS 12 2 80.76 1 12 A LYS 13 2 77.57 1 13 A LEU 14 2 80.78 1 14 A SER 15 2 77.41 1 15 A LYS 16 2 71.07 1 16 A HIS 17 2 67.06 1 17 # _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 ASN . 2 A 2 A 3 1 n GLU . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n LYS . 12 A 12 A 13 1 n LYS . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n LYS . 16 A 16 A 17 1 n HIS . 17 A 17 # _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 ? -8.520 0.766 18.241 1.00 69.02 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.280 0.762 17.443 1.00 73.36 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.899 -0.667 17.069 1.00 74.52 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.063 -1.290 17.714 1.00 71.86 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.137 1.392 18.239 1.00 69.07 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.388 2.857 18.537 1.00 65.34 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.053 3.600 19.498 1.00 60.92 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.683 5.266 19.646 1.00 54.65 1 A 1 ATOM 9 N N . ASN A 1 2 ? -7.533 -1.186 16.030 1.00 71.50 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -7.255 -2.548 15.581 1.00 76.17 2 A 1 ATOM 11 C C . ASN A 1 2 ? -5.940 -2.593 14.801 1.00 77.60 2 A 1 ATOM 12 O O . ASN A 1 2 ? -5.787 -1.889 13.804 1.00 73.81 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -8.398 -3.052 14.702 1.00 71.71 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -8.228 -4.516 14.363 1.00 65.28 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -7.627 -5.271 15.123 1.00 61.83 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -8.755 -4.936 13.225 1.00 61.84 2 A 1 ATOM 17 N N . GLU A 1 3 ? -5.002 -3.433 15.250 1.00 77.63 3 A 1 ATOM 18 C CA . GLU A 1 3 ? -3.693 -3.542 14.600 1.00 81.45 3 A 1 ATOM 19 C C . GLU A 1 3 ? -3.824 -3.995 13.149 1.00 83.31 3 A 1 ATOM 20 O O . GLU A 1 3 ? -3.083 -3.545 12.276 1.00 79.76 3 A 1 ATOM 21 C CB . GLU A 1 3 ? -2.810 -4.534 15.368 1.00 78.23 3 A 1 ATOM 22 C CG . GLU A 1 3 ? -1.362 -4.471 14.927 1.00 70.86 3 A 1 ATOM 23 C CD . GLU A 1 3 ? -0.743 -3.143 15.324 1.00 66.34 3 A 1 ATOM 24 O OE1 . GLU A 1 3 ? -0.914 -2.741 16.482 1.00 58.40 3 A 1 ATOM 25 O OE2 . GLU A 1 3 ? -0.107 -2.503 14.472 1.00 61.76 3 A 1 ATOM 26 N N . ASN A 1 4 ? -4.786 -4.882 12.881 1.00 82.57 4 A 1 ATOM 27 C CA . ASN A 1 4 ? -4.992 -5.399 11.529 1.00 82.52 4 A 1 ATOM 28 C C . ASN A 1 4 ? -5.474 -4.300 10.591 1.00 82.36 4 A 1 ATOM 29 O O . ASN A 1 4 ? -5.138 -4.289 9.409 1.00 79.04 4 A 1 ATOM 30 C CB . ASN A 1 4 ? -6.015 -6.537 11.557 1.00 80.16 4 A 1 ATOM 31 C CG . ASN A 1 4 ? -5.481 -7.745 12.289 1.00 74.59 4 A 1 ATOM 32 O OD1 . ASN A 1 4 ? -4.281 -7.997 12.303 1.00 71.18 4 A 1 ATOM 33 N ND2 . ASN A 1 4 ? -6.361 -8.513 12.905 1.00 69.28 4 A 1 ATOM 34 N N . LEU A 1 5 ? -6.262 -3.374 11.119 1.00 82.48 5 A 1 ATOM 35 C CA . LEU A 1 5 ? -6.786 -2.274 10.317 1.00 82.55 5 A 1 ATOM 36 C C . LEU A 1 5 ? -5.755 -1.165 10.154 1.00 83.10 5 A 1 ATOM 37 O O . LEU A 1 5 ? -5.735 -0.469 9.138 1.00 80.28 5 A 1 ATOM 38 C CB . LEU A 1 5 ? -8.050 -1.720 10.972 1.00 80.67 5 A 1 ATOM 39 C CG . LEU A 1 5 ? -8.699 -0.583 10.194 1.00 74.11 5 A 1 ATOM 40 C CD1 . LEU A 1 5 ? -9.149 -1.061 8.826 1.00 71.67 5 A 1 ATOM 41 C CD2 . LEU A 1 5 ? -9.885 -0.028 10.969 1.00 70.50 5 A 1 ATOM 42 N N . TRP A 1 6 ? -4.908 -0.988 11.165 1.00 83.77 6 A 1 ATOM 43 C CA . TRP A 1 6 ? -3.896 0.057 11.149 1.00 83.30 6 A 1 ATOM 44 C C . TRP A 1 6 ? -2.637 -0.372 10.404 1.00 84.06 6 A 1 ATOM 45 O O . TRP A 1 6 ? -1.669 0.377 10.319 1.00 81.84 6 A 1 ATOM 46 C CB . TRP A 1 6 ? -3.554 0.460 12.588 1.00 80.79 6 A 1 ATOM 47 C CG . TRP A 1 6 ? -2.790 1.732 12.660 1.00 77.24 6 A 1 ATOM 48 C CD1 . TRP A 1 6 ? -1.465 1.863 12.956 1.00 76.30 6 A 1 ATOM 49 C CD2 . TRP A 1 6 ? -3.277 3.061 12.430 1.00 78.00 6 A 1 ATOM 50 N NE1 . TRP A 1 6 ? -1.101 3.187 12.917 1.00 72.86 6 A 1 ATOM 51 C CE2 . TRP A 1 6 ? -2.195 3.949 12.593 1.00 75.86 6 A 1 ATOM 52 C CE3 . TRP A 1 6 ? -4.525 3.577 12.090 1.00 67.71 6 A 1 ATOM 53 C CZ2 . TRP A 1 6 ? -2.342 5.319 12.428 1.00 69.06 6 A 1 ATOM 54 C CZ3 . TRP A 1 6 ? -4.668 4.933 11.927 1.00 66.22 6 A 1 ATOM 55 C CH2 . TRP A 1 6 ? -3.586 5.795 12.095 1.00 64.52 6 A 1 ATOM 56 N N . ALA A 1 7 ? -2.646 -1.577 9.858 1.00 84.55 7 A 1 ATOM 57 C CA . ALA A 1 7 ? -1.481 -2.091 9.132 1.00 85.50 7 A 1 ATOM 58 C C . ALA A 1 7 ? -1.472 -1.579 7.694 1.00 86.69 7 A 1 ATOM 59 O O . ALA A 1 7 ? -1.577 -2.352 6.743 1.00 84.07 7 A 1 ATOM 60 C CB . ALA A 1 7 ? -1.489 -3.613 9.147 1.00 82.24 7 A 1 ATOM 61 N N . ALA A 1 8 ? -1.350 -0.253 7.548 1.00 84.98 8 A 1 ATOM 62 C CA . ALA A 1 8 ? -1.341 0.365 6.225 1.00 85.28 8 A 1 ATOM 63 C C . ALA A 1 8 ? -0.053 0.034 5.468 1.00 87.05 8 A 1 ATOM 64 O O . ALA A 1 8 ? 1.038 0.119 6.033 1.00 84.98 8 A 1 ATOM 65 C CB . ALA A 1 8 ? -1.491 1.875 6.350 1.00 81.72 8 A 1 ATOM 66 N N . PRO A 1 9 ? -0.163 -0.329 4.183 1.00 86.59 9 A 1 ATOM 67 C CA . PRO A 1 9 ? 0.998 -0.674 3.361 1.00 87.69 9 A 1 ATOM 68 C C . PRO A 1 9 ? 1.839 0.557 3.032 1.00 89.59 9 A 1 ATOM 69 O O . PRO A 1 9 ? 1.327 1.674 2.988 1.00 87.43 9 A 1 ATOM 70 C CB . PRO A 1 9 ? 0.385 -1.273 2.091 1.00 85.00 9 A 1 ATOM 71 C CG . PRO A 1 9 ? -0.977 -0.663 2.011 1.00 83.09 9 A 1 ATOM 72 C CD . PRO A 1 9 ? -1.425 -0.439 3.436 1.00 86.32 9 A 1 ATOM 73 N N . ALA A 1 10 ? 3.125 0.347 2.784 1.00 88.59 10 A 1 ATOM 74 C CA . ALA A 1 10 ? 4.036 1.434 2.453 1.00 89.71 10 A 1 ATOM 75 C C . ALA A 1 10 ? 3.758 1.947 1.036 1.00 91.28 10 A 1 ATOM 76 O O . ALA A 1 10 ? 3.190 1.227 0.213 1.00 89.27 10 A 1 ATOM 77 C CB . ALA A 1 10 ? 5.480 0.955 2.567 1.00 86.94 10 A 1 ATOM 78 N N . PRO A 1 11 ? 4.167 3.201 0.736 1.00 88.28 11 A 1 ATOM 79 C CA . PRO A 1 11 ? 3.965 3.787 -0.596 1.00 89.05 11 A 1 ATOM 80 C C . PRO A 1 11 ? 4.586 2.921 -1.689 1.00 89.85 11 A 1 ATOM 81 O O . PRO A 1 11 ? 5.697 2.417 -1.527 1.00 86.42 11 A 1 ATOM 82 C CB . PRO A 1 11 ? 4.680 5.140 -0.514 1.00 86.64 11 A 1 ATOM 83 C CG . PRO A 1 11 ? 4.729 5.452 0.945 1.00 84.93 11 A 1 ATOM 84 C CD . PRO A 1 11 ? 4.802 4.134 1.658 1.00 88.51 11 A 1 ATOM 85 N N . LYS A 1 12 ? 3.857 2.768 -2.802 1.00 88.40 12 A 1 ATOM 86 C CA . LYS A 1 12 ? 4.338 1.951 -3.912 1.00 88.20 12 A 1 ATOM 87 C C . LYS A 1 12 ? 4.857 2.838 -5.043 1.00 88.12 12 A 1 ATOM 88 O O . LYS A 1 12 ? 4.446 3.986 -5.184 1.00 84.86 12 A 1 ATOM 89 C CB . LYS A 1 12 ? 3.225 1.037 -4.414 1.00 85.57 12 A 1 ATOM 90 C CG . LYS A 1 12 ? 2.775 0.029 -3.366 1.00 77.56 12 A 1 ATOM 91 C CD . LYS A 1 12 ? 1.604 -0.799 -3.873 1.00 77.52 12 A 1 ATOM 92 C CE . LYS A 1 12 ? 2.049 -1.736 -4.993 1.00 71.52 12 A 1 ATOM 93 N NZ . LYS A 1 12 ? 3.032 -2.719 -4.504 1.00 65.06 12 A 1 ATOM 94 N N . LYS A 1 13 ? 5.757 2.288 -5.868 1.00 84.73 13 A 1 ATOM 95 C CA . LYS A 1 13 ? 6.313 3.035 -6.998 1.00 85.24 13 A 1 ATOM 96 C C . LYS A 1 13 ? 5.266 3.178 -8.099 1.00 84.20 13 A 1 ATOM 97 O O . LYS A 1 13 ? 4.216 2.537 -8.065 1.00 80.18 13 A 1 ATOM 98 C CB . LYS A 1 13 ? 7.546 2.315 -7.541 1.00 83.12 13 A 1 ATOM 99 C CG . LYS A 1 13 ? 8.660 2.188 -6.523 1.00 75.94 13 A 1 ATOM 100 C CD . LYS A 1 13 ? 9.877 1.515 -7.145 1.00 75.09 13 A 1 ATOM 101 C CE . LYS A 1 13 ? 10.967 1.345 -6.097 1.00 68.09 13 A 1 ATOM 102 N NZ . LYS A 1 13 ? 10.549 0.409 -5.029 1.00 61.54 13 A 1 ATOM 103 N N . LEU A 1 14 ? 5.555 4.014 -9.095 1.00 86.30 14 A 1 ATOM 104 C CA . LEU A 1 14 ? 4.625 4.221 -10.203 1.00 85.91 14 A 1 ATOM 105 C C . LEU A 1 14 ? 4.456 2.921 -10.979 1.00 86.93 14 A 1 ATOM 106 O O . LEU A 1 14 ? 5.418 2.399 -11.544 1.00 83.47 14 A 1 ATOM 107 C CB . LEU A 1 14 ? 5.147 5.314 -11.133 1.00 83.76 14 A 1 ATOM 108 C CG . LEU A 1 14 ? 5.253 6.690 -10.476 1.00 75.38 14 A 1 ATOM 109 C CD1 . LEU A 1 14 ? 5.898 7.685 -11.427 1.00 73.34 14 A 1 ATOM 110 C CD2 . LEU A 1 14 ? 3.878 7.189 -10.055 1.00 71.15 14 A 1 ATOM 111 N N . SER A 1 15 ? 3.232 2.416 -11.020 1.00 83.13 15 A 1 ATOM 112 C CA . SER A 1 15 ? 2.958 1.164 -11.723 1.00 80.59 15 A 1 ATOM 113 C C . SER A 1 15 ? 2.970 1.391 -13.235 1.00 79.40 15 A 1 ATOM 114 O O . SER A 1 15 ? 2.441 2.388 -13.728 1.00 75.39 15 A 1 ATOM 115 C CB . SER A 1 15 ? 1.600 0.603 -11.295 1.00 77.70 15 A 1 ATOM 116 O OG . SER A 1 15 ? 0.558 1.489 -11.642 1.00 68.25 15 A 1 ATOM 117 N N . LYS A 1 16 ? 3.574 0.446 -13.961 1.00 79.08 16 A 1 ATOM 118 C CA . LYS A 1 16 ? 3.636 0.547 -15.424 1.00 78.35 16 A 1 ATOM 119 C C . LYS A 1 16 ? 2.248 0.410 -16.033 1.00 76.57 16 A 1 ATOM 120 O O . LYS A 1 16 ? 1.989 0.900 -17.127 1.00 71.19 16 A 1 ATOM 121 C CB . LYS A 1 16 ? 4.568 -0.536 -15.973 1.00 76.37 16 A 1 ATOM 122 C CG . LYS A 1 16 ? 6.015 -0.321 -15.577 1.00 70.67 16 A 1 ATOM 123 C CD . LYS A 1 16 ? 6.895 -1.430 -16.130 1.00 69.15 16 A 1 ATOM 124 C CE . LYS A 1 16 ? 8.364 -1.127 -15.858 1.00 61.93 16 A 1 ATOM 125 N NZ . LYS A 1 16 ? 8.626 -0.925 -14.419 1.00 56.29 16 A 1 ATOM 126 N N . HIS A 1 17 ? 1.376 -0.251 -15.280 1.00 82.37 17 A 1 ATOM 127 C CA . HIS A 1 17 ? 0.008 -0.476 -15.747 1.00 79.25 17 A 1 ATOM 128 C C . HIS A 1 17 ? -0.934 -0.426 -14.555 1.00 74.93 17 A 1 ATOM 129 O O . HIS A 1 17 ? -1.802 0.465 -14.527 1.00 66.08 17 A 1 ATOM 130 C CB . HIS A 1 17 ? -0.103 -1.832 -16.467 1.00 72.22 17 A 1 ATOM 131 C CG . HIS A 1 17 ? -1.459 -2.058 -17.095 1.00 65.61 17 A 1 ATOM 132 N ND1 . HIS A 1 17 ? -2.430 -2.857 -16.536 1.00 60.77 17 A 1 ATOM 133 C CD2 . HIS A 1 17 ? -2.006 -1.575 -18.220 1.00 57.65 17 A 1 ATOM 134 C CE1 . HIS A 1 17 ? -3.510 -2.846 -17.320 1.00 60.22 17 A 1 ATOM 135 N NE2 . HIS A 1 17 ? -3.288 -2.074 -18.354 1.00 60.61 17 A 1 ATOM 136 O OXT . HIS A 1 17 ? -0.751 -1.242 -13.649 1.00 57.94 17 A 1 #