# 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_spkb18732 # _entry.id spkb18732 # 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 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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" "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 THR 2 1 n GLN 3 1 n GLN 4 1 n ALA 5 1 n VAL 6 1 n LEU 7 1 n ALA 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n THR 12 1 n LEU 13 1 n ALA 14 1 n GLY 15 1 n ILE 16 1 n LEU 17 1 n PRO 18 1 n GLY 19 1 n PRO 20 1 n LEU 21 1 n ASP 22 1 n ALA 23 # _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 @ 2025-07-10 18:47:18)" _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 92.93 _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 87.67 1 1 A THR 2 2 95.48 1 2 A GLN 3 2 92.42 1 3 A GLN 4 2 92.55 1 4 A ALA 5 2 96.47 1 5 A VAL 6 2 96.78 1 6 A LEU 7 2 95.40 1 7 A ALA 8 2 95.57 1 8 A LEU 9 2 93.21 1 9 A LEU 10 2 95.56 1 10 A LEU 11 2 95.28 1 11 A THR 12 2 93.85 1 12 A LEU 13 2 93.97 1 13 A ALA 14 2 97.06 1 14 A GLY 15 2 95.80 1 15 A ILE 16 2 95.13 1 16 A LEU 17 2 93.62 1 17 A PRO 18 2 93.24 1 18 A GLY 19 2 93.34 1 19 A PRO 20 2 91.77 1 20 A LEU 21 2 88.20 1 21 A ASP 22 2 86.09 1 22 A ALA 23 2 82.90 1 23 # _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 THR . 2 A 2 A 3 1 n GLN . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n PRO . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n PRO . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? 1.184 11.841 5.126 1.00 93.31 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.658 10.546 4.606 1.00 94.49 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.824 9.385 5.134 1.00 95.72 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.777 8.325 4.521 1.00 94.25 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.133 10.319 4.967 1.00 89.66 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.075 11.294 4.275 1.00 83.39 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.804 10.995 4.695 1.00 80.78 1 A 1 ATOM 8 C CE . MET A 1 1 ? 6.588 12.228 3.671 1.00 69.73 1 A 1 ATOM 9 N N . THR A 1 2 ? 0.165 9.594 6.262 1.00 96.26 2 A 1 ATOM 10 C CA . THR A 1 2 ? -0.632 8.535 6.888 1.00 97.47 2 A 1 ATOM 11 C C . THR A 1 2 ? -1.714 8.002 5.951 1.00 97.88 2 A 1 ATOM 12 O O . THR A 1 2 ? -1.897 6.791 5.818 1.00 97.30 2 A 1 ATOM 13 C CB . THR A 1 2 ? -1.279 9.041 8.183 1.00 96.39 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -0.288 9.647 9.011 1.00 91.95 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -1.940 7.904 8.943 1.00 91.14 2 A 1 ATOM 16 N N . GLN A 1 3 ? -2.419 8.911 5.271 1.00 97.07 3 A 1 ATOM 17 C CA . GLN A 1 3 ? -3.479 8.503 4.351 1.00 97.40 3 A 1 ATOM 18 C C . GLN A 1 3 ? -2.904 7.746 3.155 1.00 97.74 3 A 1 ATOM 19 O O . GLN A 1 3 ? -3.514 6.793 2.659 1.00 97.29 3 A 1 ATOM 20 C CB . GLN A 1 3 ? -4.268 9.730 3.893 1.00 96.83 3 A 1 ATOM 21 C CG . GLN A 1 3 ? -5.523 9.366 3.119 1.00 92.23 3 A 1 ATOM 22 C CD . GLN A 1 3 ? -6.374 10.585 2.824 1.00 89.24 3 A 1 ATOM 23 O OE1 . GLN A 1 3 ? -5.895 11.573 2.280 1.00 82.30 3 A 1 ATOM 24 N NE2 . GLN A 1 3 ? -7.640 10.544 3.189 1.00 81.65 3 A 1 ATOM 25 N N . GLN A 1 4 ? -1.717 8.149 2.696 1.00 97.62 4 A 1 ATOM 26 C CA . GLN A 1 4 ? -1.038 7.460 1.601 1.00 97.56 4 A 1 ATOM 27 C C . GLN A 1 4 ? -0.679 6.034 2.001 1.00 97.66 4 A 1 ATOM 28 O O . GLN A 1 4 ? -0.788 5.107 1.194 1.00 96.99 4 A 1 ATOM 29 C CB . GLN A 1 4 ? 0.229 8.229 1.205 1.00 96.95 4 A 1 ATOM 30 C CG . GLN A 1 4 ? -0.066 9.519 0.454 1.00 92.70 4 A 1 ATOM 31 C CD . GLN A 1 4 ? -0.544 9.263 -0.966 1.00 88.98 4 A 1 ATOM 32 O OE1 . GLN A 1 4 ? -0.417 8.162 -1.492 1.00 82.87 4 A 1 ATOM 33 N NE2 . GLN A 1 4 ? -1.079 10.277 -1.614 1.00 81.60 4 A 1 ATOM 34 N N . ALA A 1 5 ? -0.267 5.847 3.246 1.00 96.93 5 A 1 ATOM 35 C CA . ALA A 1 5 ? 0.077 4.521 3.753 1.00 96.85 5 A 1 ATOM 36 C C . ALA A 1 5 ? -1.148 3.610 3.779 1.00 96.63 5 A 1 ATOM 37 O O . ALA A 1 5 ? -1.062 2.433 3.423 1.00 95.50 5 A 1 ATOM 38 C CB . ALA A 1 5 ? 0.682 4.639 5.149 1.00 96.43 5 A 1 ATOM 39 N N . VAL A 1 6 ? -2.297 4.158 4.179 1.00 97.58 6 A 1 ATOM 40 C CA . VAL A 1 6 ? -3.547 3.399 4.201 1.00 97.69 6 A 1 ATOM 41 C C . VAL A 1 6 ? -3.943 2.995 2.784 1.00 97.21 6 A 1 ATOM 42 O O . VAL A 1 6 ? -4.318 1.846 2.535 1.00 96.38 6 A 1 ATOM 43 C CB . VAL A 1 6 ? -4.677 4.207 4.866 1.00 97.64 6 A 1 ATOM 44 C CG1 . VAL A 1 6 ? -6.011 3.472 4.762 1.00 95.95 6 A 1 ATOM 45 C CG2 . VAL A 1 6 ? -4.345 4.468 6.330 1.00 95.03 6 A 1 ATOM 46 N N . LEU A 1 7 ? -3.846 3.933 1.842 1.00 97.16 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -4.178 3.660 0.448 1.00 97.05 7 A 1 ATOM 48 C C . LEU A 1 7 ? -3.266 2.582 -0.127 1.00 97.00 7 A 1 ATOM 49 O O . LEU A 1 7 ? -3.728 1.664 -0.809 1.00 96.91 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -4.073 4.946 -0.378 1.00 96.83 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -4.416 4.784 -1.861 1.00 93.64 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -5.831 4.270 -2.053 1.00 92.35 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -4.232 6.113 -2.582 1.00 92.23 7 A 1 ATOM 54 N N . ALA A 1 8 ? -1.970 2.685 0.152 1.00 96.21 8 A 1 ATOM 55 C CA . ALA A 1 8 ? -0.998 1.703 -0.321 1.00 95.63 8 A 1 ATOM 56 C C . ALA A 1 8 ? -1.293 0.319 0.250 1.00 95.85 8 A 1 ATOM 57 O O . ALA A 1 8 ? -1.170 -0.687 -0.451 1.00 95.10 8 A 1 ATOM 58 C CB . ALA A 1 8 ? 0.412 2.145 0.061 1.00 95.05 8 A 1 ATOM 59 N N . LEU A 1 9 ? -1.701 0.270 1.511 1.00 94.85 9 A 1 ATOM 60 C CA . LEU A 1 9 ? -2.057 -0.991 2.154 1.00 94.83 9 A 1 ATOM 61 C C . LEU A 1 9 ? -3.265 -1.627 1.472 1.00 95.83 9 A 1 ATOM 62 O O . LEU A 1 9 ? -3.259 -2.824 1.170 1.00 95.81 9 A 1 ATOM 63 C CB . LEU A 1 9 ? -2.344 -0.760 3.641 1.00 94.18 9 A 1 ATOM 64 C CG . LEU A 1 9 ? -2.776 -2.013 4.416 1.00 90.56 9 A 1 ATOM 65 C CD1 . LEU A 1 9 ? -1.699 -3.088 4.369 1.00 89.99 9 A 1 ATOM 66 C CD2 . LEU A 1 9 ? -3.094 -1.650 5.861 1.00 89.64 9 A 1 ATOM 67 N N . LEU A 1 10 ? -4.296 -0.825 1.210 1.00 96.20 10 A 1 ATOM 68 C CA . LEU A 1 10 ? -5.504 -1.318 0.555 1.00 96.54 10 A 1 ATOM 69 C C . LEU A 1 10 ? -5.199 -1.828 -0.851 1.00 96.91 10 A 1 ATOM 70 O O . LEU A 1 10 ? -5.694 -2.882 -1.260 1.00 96.87 10 A 1 ATOM 71 C CB . LEU A 1 10 ? -6.561 -0.212 0.498 1.00 96.46 10 A 1 ATOM 72 C CG . LEU A 1 10 ? -7.149 0.179 1.858 1.00 94.68 10 A 1 ATOM 73 C CD1 . LEU A 1 10 ? -8.032 1.413 1.709 1.00 93.43 10 A 1 ATOM 74 C CD2 . LEU A 1 10 ? -7.957 -0.967 2.457 1.00 93.37 10 A 1 ATOM 75 N N . LEU A 1 11 ? -4.372 -1.098 -1.597 1.00 96.63 11 A 1 ATOM 76 C CA . LEU A 1 11 ? -3.989 -1.503 -2.945 1.00 96.57 11 A 1 ATOM 77 C C . LEU A 1 11 ? -3.156 -2.779 -2.922 1.00 96.62 11 A 1 ATOM 78 O O . LEU A 1 11 ? -3.297 -3.636 -3.798 1.00 95.63 11 A 1 ATOM 79 C CB . LEU A 1 11 ? -3.213 -0.373 -3.626 1.00 96.05 11 A 1 ATOM 80 C CG . LEU A 1 11 ? -4.059 0.857 -3.967 1.00 94.59 11 A 1 ATOM 81 C CD1 . LEU A 1 11 ? -3.159 1.994 -4.438 1.00 93.36 11 A 1 ATOM 82 C CD2 . LEU A 1 11 ? -5.092 0.533 -5.036 1.00 92.80 11 A 1 ATOM 83 N N . THR A 1 12 ? -2.302 -2.910 -1.919 1.00 95.53 12 A 1 ATOM 84 C CA . THR A 1 12 ? -1.489 -4.117 -1.758 1.00 95.25 12 A 1 ATOM 85 C C . THR A 1 12 ? -2.381 -5.323 -1.479 1.00 95.56 12 A 1 ATOM 86 O O . THR A 1 12 ? -2.207 -6.386 -2.080 1.00 94.48 12 A 1 ATOM 87 C CB . THR A 1 12 ? -0.477 -3.945 -0.619 1.00 94.20 12 A 1 ATOM 88 O OG1 . THR A 1 12 ? 0.411 -2.876 -0.925 1.00 91.34 12 A 1 ATOM 89 C CG2 . THR A 1 12 ? 0.342 -5.211 -0.414 1.00 90.62 12 A 1 ATOM 90 N N . LEU A 1 13 ? -3.360 -5.158 -0.587 1.00 96.17 13 A 1 ATOM 91 C CA . LEU A 1 13 ? -4.295 -6.227 -0.255 1.00 95.88 13 A 1 ATOM 92 C C . LEU A 1 13 ? -5.151 -6.605 -1.460 1.00 96.13 13 A 1 ATOM 93 O O . LEU A 1 13 ? -5.528 -7.769 -1.618 1.00 95.20 13 A 1 ATOM 94 C CB . LEU A 1 13 ? -5.187 -5.798 0.915 1.00 95.10 13 A 1 ATOM 95 C CG . LEU A 1 13 ? -4.461 -5.661 2.257 1.00 92.78 13 A 1 ATOM 96 C CD1 . LEU A 1 13 ? -5.382 -5.032 3.293 1.00 90.67 13 A 1 ATOM 97 C CD2 . LEU A 1 13 ? -3.964 -7.011 2.751 1.00 89.82 13 A 1 ATOM 98 N N . ALA A 1 14 ? -5.444 -5.628 -2.320 1.00 97.29 14 A 1 ATOM 99 C CA . ALA A 1 14 ? -6.220 -5.853 -3.537 1.00 97.38 14 A 1 ATOM 100 C C . ALA A 1 14 ? -5.378 -6.475 -4.652 1.00 97.52 14 A 1 ATOM 101 O O . ALA A 1 14 ? -5.912 -6.859 -5.691 1.00 96.31 14 A 1 ATOM 102 C CB . ALA A 1 14 ? -6.835 -4.535 -4.008 1.00 96.81 14 A 1 ATOM 103 N N . GLY A 1 15 ? -4.071 -6.585 -4.444 1.00 95.81 15 A 1 ATOM 104 C CA . GLY A 1 15 ? -3.169 -7.167 -5.435 1.00 95.78 15 A 1 ATOM 105 C C . GLY A 1 15 ? -2.746 -6.198 -6.521 1.00 96.47 15 A 1 ATOM 106 O O . GLY A 1 15 ? -2.211 -6.617 -7.546 1.00 95.12 15 A 1 ATOM 107 N N . ILE A 1 16 ? -2.982 -4.900 -6.315 1.00 96.82 16 A 1 ATOM 108 C CA . ILE A 1 16 ? -2.620 -3.875 -7.292 1.00 96.90 16 A 1 ATOM 109 C C . ILE A 1 16 ? -1.152 -3.490 -7.159 1.00 97.12 16 A 1 ATOM 110 O O . ILE A 1 16 ? -0.452 -3.293 -8.152 1.00 96.01 16 A 1 ATOM 111 C CB . ILE A 1 16 ? -3.518 -2.635 -7.130 1.00 96.34 16 A 1 ATOM 112 C CG1 . ILE A 1 16 ? -5.000 -3.016 -7.271 1.00 94.33 16 A 1 ATOM 113 C CG2 . ILE A 1 16 ? -3.142 -1.557 -8.148 1.00 93.53 16 A 1 ATOM 114 C CD1 . ILE A 1 16 ? -5.346 -3.663 -8.601 1.00 89.96 16 A 1 ATOM 115 N N . LEU A 1 17 ? -0.685 -3.382 -5.917 1.00 96.05 17 A 1 ATOM 116 C CA . LEU A 1 17 ? 0.702 -3.046 -5.638 1.00 95.52 17 A 1 ATOM 117 C C . LEU A 1 17 ? 1.462 -4.277 -5.167 1.00 95.45 17 A 1 ATOM 118 O O . LEU A 1 17 ? 0.876 -5.166 -4.550 1.00 94.08 17 A 1 ATOM 119 C CB . LEU A 1 17 ? 0.786 -1.955 -4.568 1.00 94.71 17 A 1 ATOM 120 C CG . LEU A 1 17 ? 0.223 -0.598 -4.963 1.00 92.69 17 A 1 ATOM 121 C CD1 . LEU A 1 17 ? 0.320 0.356 -3.784 1.00 90.83 17 A 1 ATOM 122 C CD2 . LEU A 1 17 ? 0.958 -0.028 -6.164 1.00 89.60 17 A 1 ATOM 123 N N . PRO A 1 18 ? 2.778 -4.347 -5.440 1.00 94.99 18 A 1 ATOM 124 C CA . PRO A 1 18 ? 3.600 -5.441 -4.931 1.00 94.59 18 A 1 ATOM 125 C C . PRO A 1 18 ? 3.680 -5.370 -3.411 1.00 94.59 18 A 1 ATOM 126 O O . PRO A 1 18 ? 3.903 -4.305 -2.835 1.00 91.54 18 A 1 ATOM 127 C CB . PRO A 1 18 ? 4.970 -5.210 -5.581 1.00 92.57 18 A 1 ATOM 128 C CG . PRO A 1 18 ? 4.990 -3.750 -5.906 1.00 90.69 18 A 1 ATOM 129 C CD . PRO A 1 18 ? 3.561 -3.390 -6.227 1.00 93.74 18 A 1 ATOM 130 N N . GLY A 1 19 ? 3.474 -6.510 -2.753 1.00 93.26 19 A 1 ATOM 131 C CA . GLY A 1 19 ? 3.512 -6.570 -1.302 1.00 93.01 19 A 1 ATOM 132 C C . GLY A 1 19 ? 4.930 -6.586 -0.766 1.00 94.15 19 A 1 ATOM 133 O O . GLY A 1 19 ? 5.893 -6.641 -1.533 1.00 92.93 19 A 1 ATOM 134 N N . PRO A 1 20 ? 5.073 -6.562 0.567 1.00 93.16 20 A 1 ATOM 135 C CA . PRO A 1 20 ? 6.398 -6.592 1.192 1.00 92.88 20 A 1 ATOM 136 C C . PRO A 1 20 ? 7.161 -7.873 0.874 1.00 93.31 20 A 1 ATOM 137 O O . PRO A 1 20 ? 8.389 -7.895 0.926 1.00 90.45 20 A 1 ATOM 138 C CB . PRO A 1 20 ? 6.094 -6.474 2.692 1.00 90.66 20 A 1 ATOM 139 C CG . PRO A 1 20 ? 4.684 -6.962 2.829 1.00 89.55 20 A 1 ATOM 140 C CD . PRO A 1 20 ? 3.994 -6.549 1.556 1.00 92.39 20 A 1 ATOM 141 N N . LEU A 1 21 ? 6.440 -8.932 0.529 1.00 92.43 21 A 1 ATOM 142 C CA . LEU A 1 21 ? 7.063 -10.202 0.167 1.00 92.30 21 A 1 ATOM 143 C C . LEU A 1 21 ? 7.770 -10.115 -1.185 1.00 92.92 21 A 1 ATOM 144 O O . LEU A 1 21 ? 8.675 -10.902 -1.472 1.00 90.55 21 A 1 ATOM 145 C CB . LEU A 1 21 ? 6.001 -11.305 0.138 1.00 90.62 21 A 1 ATOM 146 C CG . LEU A 1 21 ? 6.527 -12.712 -0.129 1.00 86.44 21 A 1 ATOM 147 C CD1 . LEU A 1 21 ? 7.484 -13.161 0.970 1.00 81.50 21 A 1 ATOM 148 C CD2 . LEU A 1 21 ? 5.365 -13.692 -0.237 1.00 78.83 21 A 1 ATOM 149 N N . ASP A 1 22 ? 7.358 -9.152 -2.016 1.00 89.87 22 A 1 ATOM 150 C CA . ASP A 1 22 ? 7.939 -8.961 -3.344 1.00 90.41 22 A 1 ATOM 151 C C . ASP A 1 22 ? 9.218 -8.127 -3.308 1.00 90.88 22 A 1 ATOM 152 O O . ASP A 1 22 ? 9.832 -7.889 -4.349 1.00 88.23 22 A 1 ATOM 153 C CB . ASP A 1 22 ? 6.916 -8.289 -4.270 1.00 87.26 22 A 1 ATOM 154 C CG . ASP A 1 22 ? 5.676 -9.139 -4.464 1.00 83.05 22 A 1 ATOM 155 O OD1 . ASP A 1 22 ? 5.800 -10.245 -5.008 1.00 79.79 22 A 1 ATOM 156 O OD2 . ASP A 1 22 ? 4.590 -8.684 -4.084 1.00 79.27 22 A 1 ATOM 157 N N . ALA A 1 23 ? 9.611 -7.667 -2.127 1.00 87.42 23 A 1 ATOM 158 C CA . ALA A 1 23 ? 10.803 -6.848 -1.962 1.00 86.81 23 A 1 ATOM 159 C C . ALA A 1 23 ? 11.982 -7.678 -1.452 1.00 84.93 23 A 1 ATOM 160 O O . ALA A 1 23 ? 11.772 -8.776 -0.905 1.00 80.80 23 A 1 ATOM 161 C CB . ALA A 1 23 ? 10.510 -5.688 -1.007 1.00 81.66 23 A 1 ATOM 162 O OXT . ALA A 1 23 ? 13.137 -7.215 -1.575 1.00 75.76 23 A 1 #