# 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_spkb22312 # _entry.id spkb22312 # 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 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" "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" "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 ALA 2 1 n TRP 3 1 n THR 4 1 n PRO 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n PHE 10 1 n PRO 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n HIS 15 1 n CYS 16 1 n THR 17 1 n GLY 18 1 n SER 19 1 n LEU 20 1 n SER 21 # _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 @ 2025-07-05 15:46:37)" _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 86.15 _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 77.31 1 1 A ALA 2 2 88.63 1 2 A TRP 3 2 79.65 1 3 A THR 4 2 89.13 1 4 A PRO 5 2 92.42 1 5 A LEU 6 2 90.13 1 6 A LEU 7 2 90.33 1 7 A LEU 8 2 90.33 1 8 A LEU 9 2 90.72 1 9 A PHE 10 2 88.52 1 10 A PRO 11 2 92.76 1 11 A LEU 12 2 90.87 1 12 A LEU 13 2 90.07 1 13 A LEU 14 2 89.76 1 14 A HIS 15 2 86.92 1 15 A CYS 16 2 88.29 1 16 A THR 17 2 86.44 1 17 A GLY 18 2 86.56 1 18 A SER 19 2 80.52 1 19 A LEU 20 2 72.78 1 20 A SER 21 2 71.22 1 21 # _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 ALA . 2 A 2 A 3 1 n TRP . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n HIS . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n SER . 21 A 21 # _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 ? -15.823 4.612 2.499 1.00 82.58 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.370 4.722 2.337 1.00 85.28 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.831 3.528 1.555 1.00 85.65 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.304 2.584 2.135 1.00 81.39 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.677 4.780 3.699 1.00 79.54 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.076 5.993 4.519 1.00 73.38 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.296 6.008 6.144 1.00 68.82 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.946 7.542 6.804 1.00 61.81 1 A 1 ATOM 9 N N . ALA A 1 2 ? -13.982 3.574 0.240 1.00 87.49 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -13.532 2.483 -0.618 1.00 89.69 2 A 1 ATOM 11 C C . ALA A 1 2 ? -12.027 2.546 -0.869 1.00 90.91 2 A 1 ATOM 12 O O . ALA A 1 2 ? -11.400 1.545 -1.209 1.00 88.79 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -14.289 2.514 -1.944 1.00 86.25 2 A 1 ATOM 14 N N . TRP A 1 3 ? -11.451 3.739 -0.680 1.00 87.37 3 A 1 ATOM 15 C CA . TRP A 1 3 ? -10.030 3.965 -0.920 1.00 89.03 3 A 1 ATOM 16 C C . TRP A 1 3 ? -9.190 3.741 0.337 1.00 91.42 3 A 1 ATOM 17 O O . TRP A 1 3 ? -7.981 3.975 0.330 1.00 89.54 3 A 1 ATOM 18 C CB . TRP A 1 3 ? -9.822 5.386 -1.452 1.00 85.63 3 A 1 ATOM 19 C CG . TRP A 1 3 ? -10.568 6.425 -0.674 1.00 80.20 3 A 1 ATOM 20 C CD1 . TRP A 1 3 ? -11.788 6.931 -0.969 1.00 76.55 3 A 1 ATOM 21 C CD2 . TRP A 1 3 ? -10.137 7.078 0.533 1.00 78.72 3 A 1 ATOM 22 N NE1 . TRP A 1 3 ? -12.153 7.859 -0.016 1.00 73.61 3 A 1 ATOM 23 C CE2 . TRP A 1 3 ? -11.156 7.973 0.921 1.00 76.30 3 A 1 ATOM 24 C CE3 . TRP A 1 3 ? -8.987 7.004 1.317 1.00 71.62 3 A 1 ATOM 25 C CZ2 . TRP A 1 3 ? -11.048 8.771 2.061 1.00 73.26 3 A 1 ATOM 26 C CZ3 . TRP A 1 3 ? -8.879 7.799 2.455 1.00 71.19 3 A 1 ATOM 27 C CH2 . TRP A 1 3 ? -9.907 8.668 2.817 1.00 70.68 3 A 1 ATOM 28 N N . THR A 1 4 ? -9.833 3.298 1.397 1.00 91.33 4 A 1 ATOM 29 C CA . THR A 1 4 ? -9.159 3.061 2.676 1.00 92.26 4 A 1 ATOM 30 C C . THR A 1 4 ? -7.966 2.100 2.560 1.00 93.38 4 A 1 ATOM 31 O O . THR A 1 4 ? -6.920 2.354 3.162 1.00 92.95 4 A 1 ATOM 32 C CB . THR A 1 4 ? -10.140 2.525 3.730 1.00 90.20 4 A 1 ATOM 33 O OG1 . THR A 1 4 ? -11.314 3.338 3.758 1.00 82.84 4 A 1 ATOM 34 C CG2 . THR A 1 4 ? -9.503 2.526 5.106 1.00 80.92 4 A 1 ATOM 35 N N . PRO A 1 5 ? -8.097 1.000 1.807 1.00 93.98 5 A 1 ATOM 36 C CA . PRO A 1 5 ? -6.977 0.057 1.642 1.00 93.88 5 A 1 ATOM 37 C C . PRO A 1 5 ? -5.730 0.709 1.056 1.00 94.73 5 A 1 ATOM 38 O O . PRO A 1 5 ? -4.618 0.232 1.280 1.00 93.08 5 A 1 ATOM 39 C CB . PRO A 1 5 ? -7.528 -1.004 0.678 1.00 91.26 5 A 1 ATOM 40 C CG . PRO A 1 5 ? -9.008 -0.941 0.854 1.00 88.58 5 A 1 ATOM 41 C CD . PRO A 1 5 ? -9.303 0.512 1.135 1.00 91.41 5 A 1 ATOM 42 N N . LEU A 1 6 ? -5.906 1.798 0.317 1.00 93.62 6 A 1 ATOM 43 C CA . LEU A 1 6 ? -4.785 2.512 -0.285 1.00 93.23 6 A 1 ATOM 44 C C . LEU A 1 6 ? -3.894 3.126 0.788 1.00 94.19 6 A 1 ATOM 45 O O . LEU A 1 6 ? -2.692 3.307 0.579 1.00 93.68 6 A 1 ATOM 46 C CB . LEU A 1 6 ? -5.285 3.606 -1.233 1.00 92.52 6 A 1 ATOM 47 C CG . LEU A 1 6 ? -6.069 3.097 -2.444 1.00 86.88 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? -6.555 4.259 -3.294 1.00 83.99 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -5.221 2.152 -3.280 1.00 82.97 6 A 1 ATOM 50 N N . LEU A 1 7 ? -4.472 3.429 1.950 1.00 93.91 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -3.727 3.994 3.071 1.00 93.16 7 A 1 ATOM 52 C C . LEU A 1 7 ? -2.730 2.979 3.620 1.00 93.87 7 A 1 ATOM 53 O O . LEU A 1 7 ? -1.719 3.346 4.217 1.00 93.39 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -4.687 4.430 4.179 1.00 92.42 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -5.642 5.561 3.789 1.00 86.85 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -6.598 5.860 4.934 1.00 84.93 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -4.866 6.808 3.405 1.00 84.14 7 A 1 ATOM 58 N N . LEU A 1 8 ? -3.026 1.704 3.416 1.00 93.50 8 A 1 ATOM 59 C CA . LEU A 1 8 ? -2.137 0.629 3.839 1.00 92.93 8 A 1 ATOM 60 C C . LEU A 1 8 ? -1.172 0.268 2.716 1.00 94.14 8 A 1 ATOM 61 O O . LEU A 1 8 ? -0.019 -0.089 2.954 1.00 93.73 8 A 1 ATOM 62 C CB . LEU A 1 8 ? -2.938 -0.608 4.247 1.00 92.17 8 A 1 ATOM 63 C CG . LEU A 1 8 ? -3.647 -0.512 5.602 1.00 86.83 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? -4.847 0.420 5.549 1.00 84.45 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? -4.067 -1.894 6.070 1.00 84.90 8 A 1 ATOM 66 N N . LEU A 1 9 ? -1.664 0.367 1.487 1.00 92.39 9 A 1 ATOM 67 C CA . LEU A 1 9 ? -0.863 0.043 0.311 1.00 92.53 9 A 1 ATOM 68 C C . LEU A 1 9 ? 0.269 1.044 0.111 1.00 93.61 9 A 1 ATOM 69 O O . LEU A 1 9 ? 1.375 0.671 -0.282 1.00 93.55 9 A 1 ATOM 70 C CB . LEU A 1 9 ? -1.751 0.009 -0.936 1.00 92.11 9 A 1 ATOM 71 C CG . LEU A 1 9 ? -1.037 -0.384 -2.229 1.00 88.66 9 A 1 ATOM 72 C CD1 . LEU A 1 9 ? -0.512 -1.811 -2.141 1.00 86.47 9 A 1 ATOM 73 C CD2 . LEU A 1 9 ? -1.975 -0.236 -3.415 1.00 86.42 9 A 1 ATOM 74 N N . PHE A 1 10 ? -0.016 2.315 0.392 1.00 90.80 10 A 1 ATOM 75 C CA . PHE A 1 10 ? 0.975 3.377 0.222 1.00 90.49 10 A 1 ATOM 76 C C . PHE A 1 10 ? 2.240 3.142 1.057 1.00 92.07 10 A 1 ATOM 77 O O . PHE A 1 10 ? 3.344 3.158 0.504 1.00 92.20 10 A 1 ATOM 78 C CB . PHE A 1 10 ? 0.341 4.736 0.538 1.00 89.98 10 A 1 ATOM 79 C CG . PHE A 1 10 ? 1.263 5.900 0.308 1.00 88.88 10 A 1 ATOM 80 C CD1 . PHE A 1 10 ? 1.667 6.236 -0.973 1.00 85.69 10 A 1 ATOM 81 C CD2 . PHE A 1 10 ? 1.720 6.650 1.377 1.00 86.60 10 A 1 ATOM 82 C CE1 . PHE A 1 10 ? 2.516 7.308 -1.189 1.00 85.25 10 A 1 ATOM 83 C CE2 . PHE A 1 10 ? 2.572 7.722 1.163 1.00 85.16 10 A 1 ATOM 84 C CZ . PHE A 1 10 ? 2.974 8.052 -0.117 1.00 86.59 10 A 1 ATOM 85 N N . PRO A 1 11 ? 2.112 2.918 2.382 1.00 93.71 11 A 1 ATOM 86 C CA . PRO A 1 11 ? 3.299 2.628 3.203 1.00 93.38 11 A 1 ATOM 87 C C . PRO A 1 11 ? 3.992 1.347 2.770 1.00 93.96 11 A 1 ATOM 88 O O . PRO A 1 11 ? 5.216 1.227 2.878 1.00 92.09 11 A 1 ATOM 89 C CB . PRO A 1 11 ? 2.735 2.476 4.621 1.00 91.90 11 A 1 ATOM 90 C CG . PRO A 1 11 ? 1.434 3.197 4.592 1.00 90.77 11 A 1 ATOM 91 C CD . PRO A 1 11 ? 0.908 3.011 3.187 1.00 93.48 11 A 1 ATOM 92 N N . LEU A 1 12 ? 3.219 0.386 2.276 1.00 93.45 12 A 1 ATOM 93 C CA . LEU A 1 12 ? 3.770 -0.873 1.793 1.00 93.06 12 A 1 ATOM 94 C C . LEU A 1 12 ? 4.704 -0.627 0.615 1.00 93.96 12 A 1 ATOM 95 O O . LEU A 1 12 ? 5.786 -1.210 0.535 1.00 93.08 12 A 1 ATOM 96 C CB . LEU A 1 12 ? 2.644 -1.823 1.374 1.00 92.71 12 A 1 ATOM 97 C CG . LEU A 1 12 ? 3.105 -3.196 0.883 1.00 88.76 12 A 1 ATOM 98 C CD1 . LEU A 1 12 ? 3.826 -3.951 1.989 1.00 85.65 12 A 1 ATOM 99 C CD2 . LEU A 1 12 ? 1.920 -4.000 0.373 1.00 86.28 12 A 1 ATOM 100 N N . LEU A 1 13 ? 4.282 0.243 -0.294 1.00 93.26 13 A 1 ATOM 101 C CA . LEU A 1 13 ? 5.093 0.593 -1.453 1.00 92.50 13 A 1 ATOM 102 C C . LEU A 1 13 ? 6.361 1.317 -1.019 1.00 92.90 13 A 1 ATOM 103 O O . LEU A 1 13 ? 7.430 1.114 -1.599 1.00 92.23 13 A 1 ATOM 104 C CB . LEU A 1 13 ? 4.293 1.475 -2.417 1.00 92.23 13 A 1 ATOM 105 C CG . LEU A 1 13 ? 3.106 0.779 -3.080 1.00 88.09 13 A 1 ATOM 106 C CD1 . LEU A 1 13 ? 2.309 1.767 -3.918 1.00 84.32 13 A 1 ATOM 107 C CD2 . LEU A 1 13 ? 3.579 -0.388 -3.935 1.00 85.01 13 A 1 ATOM 108 N N . LEU A 1 14 ? 6.253 2.148 0.014 1.00 93.29 14 A 1 ATOM 109 C CA . LEU A 1 14 ? 7.402 2.861 0.558 1.00 92.65 14 A 1 ATOM 110 C C . LEU A 1 14 ? 8.401 1.881 1.153 1.00 92.79 14 A 1 ATOM 111 O O . LEU A 1 14 ? 9.613 2.069 1.037 1.00 91.88 14 A 1 ATOM 112 C CB . LEU A 1 14 ? 6.952 3.857 1.627 1.00 92.14 14 A 1 ATOM 113 C CG . LEU A 1 14 ? 6.122 5.027 1.107 1.00 86.93 14 A 1 ATOM 114 C CD1 . LEU A 1 14 ? 5.686 5.913 2.263 1.00 84.17 14 A 1 ATOM 115 C CD2 . LEU A 1 14 ? 6.909 5.829 0.082 1.00 84.21 14 A 1 ATOM 116 N N . HIS A 1 15 ? 7.894 0.822 1.784 1.00 93.98 15 A 1 ATOM 117 C CA . HIS A 1 15 ? 8.740 -0.212 2.361 1.00 93.03 15 A 1 ATOM 118 C C . HIS A 1 15 ? 9.488 -0.954 1.264 1.00 93.45 15 A 1 ATOM 119 O O . HIS A 1 15 ? 10.668 -1.276 1.409 1.00 91.78 15 A 1 ATOM 120 C CB . HIS A 1 15 ? 7.907 -1.196 3.180 1.00 91.34 15 A 1 ATOM 121 C CG . HIS A 1 15 ? 8.733 -2.246 3.865 1.00 87.44 15 A 1 ATOM 122 N ND1 . HIS A 1 15 ? 8.987 -3.476 3.325 1.00 76.75 15 A 1 ATOM 123 C CD2 . HIS A 1 15 ? 9.370 -2.219 5.050 1.00 79.55 15 A 1 ATOM 124 C CE1 . HIS A 1 15 ? 9.749 -4.172 4.157 1.00 79.63 15 A 1 ATOM 125 N NE2 . HIS A 1 15 ? 10.001 -3.436 5.219 1.00 82.24 15 A 1 ATOM 126 N N . CYS A 1 16 ? 8.797 -1.216 0.147 1.00 90.88 16 A 1 ATOM 127 C CA . CYS A 1 16 ? 9.414 -1.879 -0.992 1.00 90.16 16 A 1 ATOM 128 C C . CYS A 1 16 ? 10.512 -1.011 -1.595 1.00 89.43 16 A 1 ATOM 129 O O . CYS A 1 16 ? 11.521 -1.519 -2.081 1.00 86.54 16 A 1 ATOM 130 C CB . CYS A 1 16 ? 8.360 -2.207 -2.051 1.00 88.53 16 A 1 ATOM 131 S SG . CYS A 1 16 ? 7.151 -3.419 -1.497 1.00 84.19 16 A 1 ATOM 132 N N . THR A 1 17 ? 10.307 0.301 -1.543 1.00 91.69 17 A 1 ATOM 133 C CA . THR A 1 17 ? 11.287 1.253 -2.058 1.00 90.56 17 A 1 ATOM 134 C C . THR A 1 17 ? 12.479 1.372 -1.109 1.00 89.10 17 A 1 ATOM 135 O O . THR A 1 17 ? 13.599 1.660 -1.533 1.00 84.69 17 A 1 ATOM 136 C CB . THR A 1 17 ? 10.653 2.636 -2.260 1.00 88.01 17 A 1 ATOM 137 O OG1 . THR A 1 17 ? 9.504 2.524 -3.094 1.00 81.67 17 A 1 ATOM 138 C CG2 . THR A 1 17 ? 11.635 3.601 -2.904 1.00 79.35 17 A 1 ATOM 139 N N . GLY A 1 18 ? 12.238 1.118 0.187 1.00 88.80 18 A 1 ATOM 140 C CA . GLY A 1 18 ? 13.283 1.203 1.197 1.00 86.63 18 A 1 ATOM 141 C C . GLY A 1 18 ? 13.246 2.503 1.974 1.00 87.03 18 A 1 ATOM 142 O O . GLY A 1 18 ? 14.107 2.746 2.820 1.00 83.78 18 A 1 ATOM 143 N N . SER A 1 19 ? 12.250 3.331 1.686 1.00 83.78 19 A 1 ATOM 144 C CA . SER A 1 19 ? 12.091 4.613 2.367 1.00 83.90 19 A 1 ATOM 145 C C . SER A 1 19 ? 11.572 4.423 3.785 1.00 83.77 19 A 1 ATOM 146 O O . SER A 1 19 ? 11.920 5.174 4.696 1.00 80.42 19 A 1 ATOM 147 C CB . SER A 1 19 ? 11.142 5.518 1.587 1.00 80.28 19 A 1 ATOM 148 O OG . SER A 1 19 ? 11.020 6.777 2.215 1.00 71.00 19 A 1 ATOM 149 N N . LEU A 1 20 ? 10.729 3.400 3.971 1.00 79.33 20 A 1 ATOM 150 C CA . LEU A 1 20 ? 10.139 3.106 5.273 1.00 77.58 20 A 1 ATOM 151 C C . LEU A 1 20 ? 10.349 1.642 5.632 1.00 78.61 20 A 1 ATOM 152 O O . LEU A 1 20 ? 9.945 0.750 4.886 1.00 74.41 20 A 1 ATOM 153 C CB . LEU A 1 20 ? 8.646 3.471 5.260 1.00 73.72 20 A 1 ATOM 154 C CG . LEU A 1 20 ? 7.932 3.419 6.599 1.00 69.92 20 A 1 ATOM 155 C CD1 . LEU A 1 20 ? 6.782 4.423 6.627 1.00 66.02 20 A 1 ATOM 156 C CD2 . LEU A 1 20 ? 7.391 2.022 6.879 1.00 62.65 20 A 1 ATOM 157 N N . SER A 1 21 ? 10.988 1.397 6.789 1.00 80.20 21 A 1 ATOM 158 C CA . SER A 1 21 ? 11.264 0.040 7.253 1.00 78.25 21 A 1 ATOM 159 C C . SER A 1 21 ? 10.324 -0.332 8.398 1.00 74.10 21 A 1 ATOM 160 O O . SER A 1 21 ? 9.508 -1.251 8.228 1.00 66.95 21 A 1 ATOM 161 C CB . SER A 1 21 ? 12.722 -0.085 7.702 1.00 70.47 21 A 1 ATOM 162 O OG . SER A 1 21 ? 13.607 0.190 6.642 1.00 63.82 21 A 1 ATOM 163 O OXT . SER A 1 21 ? 10.386 0.291 9.459 1.00 64.77 21 A 1 #