# 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_spkb13705 # _entry.id spkb13705 # 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 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 GLY 2 1 n CYS 3 1 n GLY 4 1 n LEU 5 1 n LEU 6 1 n ALA 7 1 n ALA 8 1 n GLY 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n PHE 13 1 n THR 14 1 n TRP 15 1 n LEU 16 1 n PRO 17 1 n ALA 18 1 n GLY 19 1 n CYS 20 1 n LEU 21 1 n SER 22 # _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 07:17:43)" _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 79.25 _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 66.44 1 1 A GLY 2 2 78.00 1 2 A CYS 3 2 74.44 1 3 A GLY 4 2 82.57 1 4 A LEU 5 2 80.05 1 5 A LEU 6 2 82.52 1 6 A ALA 7 2 85.42 1 7 A ALA 8 2 86.63 1 8 A GLY 9 2 85.26 1 9 A LEU 10 2 84.16 1 10 A LEU 11 2 85.62 1 11 A LEU 12 2 84.78 1 12 A PHE 13 2 81.43 1 13 A THR 14 2 84.49 1 14 A TRP 15 2 81.88 1 15 A LEU 16 2 78.94 1 16 A PRO 17 2 81.15 1 17 A ALA 18 2 76.55 1 18 A GLY 19 2 77.28 1 19 A CYS 20 2 68.05 1 20 A LEU 21 2 70.10 1 21 A SER 22 2 67.54 1 22 # _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 GLY . 2 A 2 A 3 1 n CYS . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n TRP . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n CYS . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n SER . 22 A 22 # _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 ? -2.609 10.203 14.637 1.00 69.14 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.982 8.894 14.384 1.00 72.19 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.502 8.302 13.080 1.00 73.58 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.640 7.853 13.008 1.00 68.47 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.302 7.934 15.532 1.00 67.65 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.676 8.404 16.837 1.00 65.36 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.094 8.247 16.792 1.00 61.09 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.508 8.924 18.390 1.00 54.01 1 A 1 ATOM 9 N N . GLY A 1 2 ? -1.700 8.315 12.057 1.00 77.37 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -2.102 7.782 10.767 1.00 79.32 2 A 1 ATOM 11 C C . GLY A 1 2 ? -0.912 7.299 9.962 1.00 79.92 2 A 1 ATOM 12 O O . GLY A 1 2 ? 0.229 7.378 10.412 1.00 75.38 2 A 1 ATOM 13 N N . CYS A 1 3 ? -1.202 6.796 8.769 1.00 75.00 3 A 1 ATOM 14 C CA . CYS A 1 3 ? -0.150 6.302 7.877 1.00 76.77 3 A 1 ATOM 15 C C . CYS A 1 3 ? 0.832 7.409 7.526 1.00 79.22 3 A 1 ATOM 16 O O . CYS A 1 3 ? 2.042 7.234 7.620 1.00 73.43 3 A 1 ATOM 17 C CB . CYS A 1 3 ? -0.786 5.732 6.613 1.00 73.45 3 A 1 ATOM 18 S SG . CYS A 1 3 ? 0.405 4.908 5.541 1.00 68.79 3 A 1 ATOM 19 N N . GLY A 1 4 ? 0.295 8.556 7.131 1.00 80.42 4 A 1 ATOM 20 C CA . GLY A 1 4 ? 1.141 9.697 6.780 1.00 82.79 4 A 1 ATOM 21 C C . GLY A 1 4 ? 1.817 9.525 5.436 1.00 84.25 4 A 1 ATOM 22 O O . GLY A 1 4 ? 2.328 10.489 4.866 1.00 82.83 4 A 1 ATOM 23 N N . LEU A 1 5 ? 1.799 8.312 4.916 1.00 81.39 5 A 1 ATOM 24 C CA . LEU A 1 5 ? 2.433 8.032 3.626 1.00 83.40 5 A 1 ATOM 25 C C . LEU A 1 5 ? 1.621 8.636 2.490 1.00 85.43 5 A 1 ATOM 26 O O . LEU A 1 5 ? 2.184 9.184 1.546 1.00 83.48 5 A 1 ATOM 27 C CB . LEU A 1 5 ? 2.553 6.523 3.437 1.00 80.89 5 A 1 ATOM 28 C CG . LEU A 1 5 ? 3.403 5.838 4.506 1.00 77.79 5 A 1 ATOM 29 C CD1 . LEU A 1 5 ? 3.313 4.331 4.350 1.00 75.38 5 A 1 ATOM 30 C CD2 . LEU A 1 5 ? 4.851 6.295 4.400 1.00 72.66 5 A 1 ATOM 31 N N . LEU A 1 6 ? 0.292 8.538 2.589 1.00 84.25 6 A 1 ATOM 32 C CA . LEU A 1 6 ? -0.608 9.087 1.573 1.00 84.82 6 A 1 ATOM 33 C C . LEU A 1 6 ? -0.228 8.566 0.187 1.00 86.54 6 A 1 ATOM 34 O O . LEU A 1 6 ? -0.358 7.379 -0.086 1.00 85.16 6 A 1 ATOM 35 C CB . LEU A 1 6 ? -0.554 10.620 1.623 1.00 83.45 6 A 1 ATOM 36 C CG . LEU A 1 6 ? -0.932 11.200 2.991 1.00 81.58 6 A 1 ATOM 37 C CD1 . LEU A 1 6 ? -0.771 12.712 2.961 1.00 78.22 6 A 1 ATOM 38 C CD2 . LEU A 1 6 ? -2.348 10.821 3.373 1.00 76.12 6 A 1 ATOM 39 N N . ALA A 1 7 ? 0.241 9.447 -0.678 1.00 85.99 7 A 1 ATOM 40 C CA . ALA A 1 7 ? 0.607 9.054 -2.038 1.00 85.95 7 A 1 ATOM 41 C C . ALA A 1 7 ? 1.699 7.990 -2.037 1.00 86.67 7 A 1 ATOM 42 O O . ALA A 1 7 ? 1.638 7.031 -2.803 1.00 84.18 7 A 1 ATOM 43 C CB . ALA A 1 7 ? 1.068 10.278 -2.814 1.00 84.30 7 A 1 ATOM 44 N N . ALA A 1 8 ? 2.687 8.150 -1.179 1.00 87.18 8 A 1 ATOM 45 C CA . ALA A 1 8 ? 3.789 7.191 -1.097 1.00 87.00 8 A 1 ATOM 46 C C . ALA A 1 8 ? 3.277 5.799 -0.747 1.00 87.93 8 A 1 ATOM 47 O O . ALA A 1 8 ? 3.695 4.808 -1.341 1.00 85.36 8 A 1 ATOM 48 C CB . ALA A 1 8 ? 4.800 7.655 -0.060 1.00 85.70 8 A 1 ATOM 49 N N . GLY A 1 9 ? 2.365 5.727 0.225 1.00 84.76 9 A 1 ATOM 50 C CA . GLY A 1 9 ? 1.806 4.439 0.631 1.00 84.75 9 A 1 ATOM 51 C C . GLY A 1 9 ? 0.991 3.801 -0.469 1.00 86.55 9 A 1 ATOM 52 O O . GLY A 1 9 ? 1.068 2.594 -0.694 1.00 84.98 9 A 1 ATOM 53 N N . LEU A 1 10 ? 0.205 4.609 -1.165 1.00 86.10 10 A 1 ATOM 54 C CA . LEU A 1 10 ? -0.630 4.100 -2.258 1.00 86.35 10 A 1 ATOM 55 C C . LEU A 1 10 ? 0.237 3.521 -3.370 1.00 88.30 10 A 1 ATOM 56 O O . LEU A 1 10 ? -0.087 2.483 -3.938 1.00 86.90 10 A 1 ATOM 57 C CB . LEU A 1 10 ? -1.495 5.235 -2.806 1.00 85.24 10 A 1 ATOM 58 C CG . LEU A 1 10 ? -2.522 5.736 -1.792 1.00 82.76 10 A 1 ATOM 59 C CD1 . LEU A 1 10 ? -3.196 6.992 -2.319 1.00 79.40 10 A 1 ATOM 60 C CD2 . LEU A 1 10 ? -3.561 4.659 -1.511 1.00 78.25 10 A 1 ATOM 61 N N . LEU A 1 11 ? 1.319 4.184 -3.682 1.00 86.69 11 A 1 ATOM 62 C CA . LEU A 1 11 ? 2.225 3.720 -4.730 1.00 86.95 11 A 1 ATOM 63 C C . LEU A 1 11 ? 2.846 2.381 -4.352 1.00 88.43 11 A 1 ATOM 64 O O . LEU A 1 11 ? 2.899 1.457 -5.160 1.00 87.32 11 A 1 ATOM 65 C CB . LEU A 1 11 ? 3.328 4.761 -4.969 1.00 86.73 11 A 1 ATOM 66 C CG . LEU A 1 11 ? 3.065 5.671 -6.166 1.00 85.71 11 A 1 ATOM 67 C CD1 . LEU A 1 11 ? 3.057 4.861 -7.449 1.00 81.92 11 A 1 ATOM 68 C CD2 . LEU A 1 11 ? 1.747 6.405 -5.998 1.00 81.22 11 A 1 ATOM 69 N N . LEU A 1 12 ? 3.311 2.263 -3.117 1.00 86.87 12 A 1 ATOM 70 C CA . LEU A 1 12 ? 3.936 1.027 -2.649 1.00 86.76 12 A 1 ATOM 71 C C . LEU A 1 12 ? 2.899 -0.078 -2.464 1.00 88.17 12 A 1 ATOM 72 O O . LEU A 1 12 ? 3.186 -1.248 -2.703 1.00 87.14 12 A 1 ATOM 73 C CB . LEU A 1 12 ? 4.652 1.290 -1.325 1.00 85.73 12 A 1 ATOM 74 C CG . LEU A 1 12 ? 5.826 2.254 -1.452 1.00 83.73 12 A 1 ATOM 75 C CD1 . LEU A 1 12 ? 6.321 2.645 -0.061 1.00 80.64 12 A 1 ATOM 76 C CD2 . LEU A 1 12 ? 6.954 1.617 -2.247 1.00 79.16 12 A 1 ATOM 77 N N . PHE A 1 13 ? 1.691 0.284 -2.055 1.00 85.16 13 A 1 ATOM 78 C CA . PHE A 1 13 ? 0.629 -0.687 -1.814 1.00 83.85 13 A 1 ATOM 79 C C . PHE A 1 13 ? 0.280 -1.450 -3.086 1.00 86.27 13 A 1 ATOM 80 O O . PHE A 1 13 ? -0.067 -2.625 -3.028 1.00 85.33 13 A 1 ATOM 81 C CB . PHE A 1 13 ? -0.605 0.036 -1.279 1.00 83.11 13 A 1 ATOM 82 C CG . PHE A 1 13 ? -1.487 -0.882 -0.478 1.00 81.04 13 A 1 ATOM 83 C CD1 . PHE A 1 13 ? -2.347 -1.763 -1.108 1.00 78.89 13 A 1 ATOM 84 C CD2 . PHE A 1 13 ? -1.445 -0.862 0.912 1.00 78.47 13 A 1 ATOM 85 C CE1 . PHE A 1 13 ? -3.155 -2.615 -0.367 1.00 77.27 13 A 1 ATOM 86 C CE2 . PHE A 1 13 ? -2.251 -1.709 1.651 1.00 78.01 13 A 1 ATOM 87 C CZ . PHE A 1 13 ? -3.106 -2.590 1.013 1.00 78.28 13 A 1 ATOM 88 N N . THR A 1 14 ? 0.375 -0.805 -4.223 1.00 85.90 14 A 1 ATOM 89 C CA . THR A 1 14 ? 0.033 -1.454 -5.492 1.00 85.88 14 A 1 ATOM 90 C C . THR A 1 14 ? 0.940 -2.660 -5.750 1.00 86.44 14 A 1 ATOM 91 O O . THR A 1 14 ? 0.538 -3.611 -6.410 1.00 84.41 14 A 1 ATOM 92 C CB . THR A 1 14 ? 0.135 -0.451 -6.648 1.00 84.79 14 A 1 ATOM 93 O OG1 . THR A 1 14 ? -0.461 -1.023 -7.805 1.00 82.79 14 A 1 ATOM 94 C CG2 . THR A 1 14 ? 1.572 -0.112 -6.953 1.00 81.24 14 A 1 ATOM 95 N N . TRP A 1 15 ? 2.147 -2.637 -5.222 1.00 85.33 15 A 1 ATOM 96 C CA . TRP A 1 15 ? 3.091 -3.745 -5.380 1.00 85.12 15 A 1 ATOM 97 C C . TRP A 1 15 ? 3.232 -4.528 -4.082 1.00 86.39 15 A 1 ATOM 98 O O . TRP A 1 15 ? 3.184 -5.757 -4.083 1.00 84.01 15 A 1 ATOM 99 C CB . TRP A 1 15 ? 4.461 -3.201 -5.792 1.00 84.13 15 A 1 ATOM 100 C CG . TRP A 1 15 ? 4.404 -2.367 -7.022 1.00 82.54 15 A 1 ATOM 101 C CD1 . TRP A 1 15 ? 4.035 -2.788 -8.261 1.00 80.81 15 A 1 ATOM 102 C CD2 . TRP A 1 15 ? 4.741 -0.975 -7.153 1.00 83.28 15 A 1 ATOM 103 N NE1 . TRP A 1 15 ? 4.113 -1.746 -9.148 1.00 79.04 15 A 1 ATOM 104 C CE2 . TRP A 1 15 ? 4.546 -0.615 -8.502 1.00 81.25 15 A 1 ATOM 105 C CE3 . TRP A 1 15 ? 5.189 -0.006 -6.258 1.00 80.71 15 A 1 ATOM 106 C CZ2 . TRP A 1 15 ? 4.785 0.675 -8.960 1.00 80.18 15 A 1 ATOM 107 C CZ3 . TRP A 1 15 ? 5.431 1.278 -6.715 1.00 76.93 15 A 1 ATOM 108 C CH2 . TRP A 1 15 ? 5.228 1.616 -8.056 1.00 76.56 15 A 1 ATOM 109 N N . LEU A 1 16 ? 3.395 -3.830 -2.985 1.00 83.47 16 A 1 ATOM 110 C CA . LEU A 1 16 ? 3.568 -4.455 -1.680 1.00 82.10 16 A 1 ATOM 111 C C . LEU A 1 16 ? 2.610 -3.841 -0.663 1.00 83.80 16 A 1 ATOM 112 O O . LEU A 1 16 ? 2.432 -2.628 -0.634 1.00 82.31 16 A 1 ATOM 113 C CB . LEU A 1 16 ? 5.016 -4.272 -1.215 1.00 79.50 16 A 1 ATOM 114 C CG . LEU A 1 16 ? 5.402 -5.138 -0.023 1.00 76.24 16 A 1 ATOM 115 C CD1 . LEU A 1 16 ? 5.523 -6.598 -0.439 1.00 73.46 16 A 1 ATOM 116 C CD2 . LEU A 1 16 ? 6.723 -4.656 0.563 1.00 70.67 16 A 1 ATOM 117 N N . PRO A 1 17 ? 1.972 -4.667 0.178 1.00 83.29 17 A 1 ATOM 118 C CA . PRO A 1 17 ? 1.030 -4.176 1.187 1.00 83.24 17 A 1 ATOM 119 C C . PRO A 1 17 ? 1.732 -3.338 2.251 1.00 84.24 17 A 1 ATOM 120 O O . PRO A 1 17 ? 2.697 -3.785 2.871 1.00 80.41 17 A 1 ATOM 121 C CB . PRO A 1 17 ? 0.446 -5.460 1.790 1.00 79.67 17 A 1 ATOM 122 C CG . PRO A 1 17 ? 1.482 -6.509 1.543 1.00 77.22 17 A 1 ATOM 123 C CD . PRO A 1 17 ? 2.148 -6.128 0.239 1.00 80.00 17 A 1 ATOM 124 N N . ALA A 1 18 ? 1.240 -2.127 2.458 1.00 77.43 18 A 1 ATOM 125 C CA . ALA A 1 18 ? 1.813 -1.238 3.463 1.00 77.68 18 A 1 ATOM 126 C C . ALA A 1 18 ? 1.292 -1.591 4.855 1.00 78.64 18 A 1 ATOM 127 O O . ALA A 1 18 ? 0.214 -2.167 4.995 1.00 73.96 18 A 1 ATOM 128 C CB . ALA A 1 18 ? 1.481 0.209 3.126 1.00 75.06 18 A 1 ATOM 129 N N . GLY A 1 19 ? 2.043 -1.259 5.880 1.00 78.91 19 A 1 ATOM 130 C CA . GLY A 1 19 ? 1.650 -1.561 7.255 1.00 77.20 19 A 1 ATOM 131 C C . GLY A 1 19 ? 0.950 -0.398 7.922 1.00 78.32 19 A 1 ATOM 132 O O . GLY A 1 19 ? 1.318 0.002 9.018 1.00 74.67 19 A 1 ATOM 133 N N . CYS A 1 20 ? -0.063 0.149 7.246 1.00 70.58 20 A 1 ATOM 134 C CA . CYS A 1 20 ? -0.820 1.275 7.792 1.00 69.98 20 A 1 ATOM 135 C C . CYS A 1 20 ? -2.170 0.815 8.320 1.00 69.92 20 A 1 ATOM 136 O O . CYS A 1 20 ? -2.419 0.844 9.519 1.00 65.26 20 A 1 ATOM 137 C CB . CYS A 1 20 ? -0.998 2.352 6.715 1.00 68.43 20 A 1 ATOM 138 S SG . CYS A 1 20 ? 0.571 3.137 6.272 1.00 64.11 20 A 1 ATOM 139 N N . LEU A 1 21 ? -3.048 0.393 7.416 1.00 75.84 21 A 1 ATOM 140 C CA . LEU A 1 21 ? -4.385 -0.066 7.787 1.00 74.80 21 A 1 ATOM 141 C C . LEU A 1 21 ? -4.586 -1.516 7.351 1.00 76.14 21 A 1 ATOM 142 O O . LEU A 1 21 ? -5.662 -1.899 6.901 1.00 71.72 21 A 1 ATOM 143 C CB . LEU A 1 21 ? -5.437 0.848 7.151 1.00 70.88 21 A 1 ATOM 144 C CG . LEU A 1 21 ? -6.480 1.375 8.124 1.00 67.11 21 A 1 ATOM 145 C CD1 . LEU A 1 21 ? -7.220 0.243 8.814 1.00 63.86 21 A 1 ATOM 146 C CD2 . LEU A 1 21 ? -5.819 2.279 9.154 1.00 60.44 21 A 1 ATOM 147 N N . SER A 1 22 ? -3.548 -2.327 7.485 1.00 72.41 22 A 1 ATOM 148 C CA . SER A 1 22 ? -3.595 -3.732 7.083 1.00 72.70 22 A 1 ATOM 149 C C . SER A 1 22 ? -4.622 -4.499 7.915 1.00 70.38 22 A 1 ATOM 150 O O . SER A 1 22 ? -5.346 -5.333 7.348 1.00 64.34 22 A 1 ATOM 151 C CB . SER A 1 22 ? -2.212 -4.364 7.246 1.00 66.72 22 A 1 ATOM 152 O OG . SER A 1 22 ? -1.251 -3.660 6.508 1.00 62.80 22 A 1 ATOM 153 O OXT . SER A 1 22 ? -4.708 -4.280 9.126 1.00 63.41 22 A 1 #