# 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_spkb38029 # _entry.id spkb38029 # 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" "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" "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" "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" "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 GLN 2 1 n SER 3 1 n GLN 4 1 n GLN 5 1 n GLN 6 1 n PRO 7 1 n VAL 8 1 n PHE 9 1 n ILE 10 1 n SER 11 1 n ILE 12 1 n ILE 13 1 n LEU 14 1 n LEU 15 1 n ALA 16 1 n ILE 17 1 n ASN 18 1 n THR 19 1 n ASP 20 1 n ALA 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 @ 2025-07-10 17:30:17)" _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 88.99 _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 72.72 1 1 A GLN 2 2 70.95 1 2 A SER 3 2 78.18 1 3 A GLN 4 2 76.98 1 4 A GLN 5 2 81.03 1 5 A GLN 6 2 86.36 1 6 A PRO 7 2 93.84 1 7 A VAL 8 2 93.48 1 8 A PHE 9 2 91.60 1 9 A ILE 10 2 94.02 1 10 A SER 11 2 94.92 1 11 A ILE 12 2 95.17 1 12 A ILE 13 2 95.73 1 13 A LEU 14 2 95.84 1 14 A LEU 15 2 94.93 1 15 A ALA 16 2 97.67 1 16 A ILE 17 2 96.87 1 17 A ASN 18 2 94.30 1 18 A THR 19 2 95.20 1 19 A ASP 20 2 88.36 1 20 A ALA 21 2 88.52 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 GLN . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n GLN . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n ASP . 20 A 20 A 21 1 n ALA . 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 ? -14.525 3.117 9.199 1.00 77.17 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.141 3.523 9.504 1.00 79.08 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.112 2.634 8.798 1.00 80.18 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.996 3.072 8.548 1.00 74.72 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.911 3.489 11.020 1.00 74.32 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.510 4.718 11.704 1.00 70.42 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.322 4.661 13.495 1.00 65.93 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.789 6.337 13.912 1.00 59.92 1 A 1 ATOM 9 N N . GLN A 1 2 ? -12.486 1.410 8.442 1.00 80.27 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -11.563 0.485 7.774 1.00 80.73 2 A 1 ATOM 11 C C . GLN A 1 2 ? -11.233 0.909 6.341 1.00 80.35 2 A 1 ATOM 12 O O . GLN A 1 2 ? -10.194 0.520 5.806 1.00 77.19 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -12.164 -0.921 7.779 1.00 74.70 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -12.068 -1.580 9.150 1.00 66.80 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -12.687 -2.967 9.155 1.00 62.47 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -13.600 -3.245 8.388 1.00 59.95 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -12.212 -3.850 10.005 1.00 56.06 2 A 1 ATOM 18 N N . SER A 1 3 ? -12.084 1.723 5.723 1.00 79.60 3 A 1 ATOM 19 C CA . SER A 1 3 ? -11.882 2.158 4.337 1.00 81.81 3 A 1 ATOM 20 C C . SER A 1 3 ? -10.633 3.032 4.166 1.00 83.65 3 A 1 ATOM 21 O O . SER A 1 3 ? -10.071 3.122 3.075 1.00 79.94 3 A 1 ATOM 22 C CB . SER A 1 3 ? -13.128 2.909 3.864 1.00 76.73 3 A 1 ATOM 23 O OG . SER A 1 3 ? -13.068 3.157 2.476 1.00 67.34 3 A 1 ATOM 24 N N . GLN A 1 4 ? -10.166 3.662 5.240 1.00 84.84 4 A 1 ATOM 25 C CA . GLN A 1 4 ? -8.994 4.543 5.181 1.00 87.13 4 A 1 ATOM 26 C C . GLN A 1 4 ? -7.670 3.775 5.274 1.00 88.14 4 A 1 ATOM 27 O O . GLN A 1 4 ? -6.601 4.376 5.184 1.00 85.56 4 A 1 ATOM 28 C CB . GLN A 1 4 ? -9.066 5.598 6.293 1.00 82.34 4 A 1 ATOM 29 C CG . GLN A 1 4 ? -9.915 6.802 5.903 1.00 72.77 4 A 1 ATOM 30 C CD . GLN A 1 4 ? -9.532 8.042 6.691 1.00 67.68 4 A 1 ATOM 31 O OE1 . GLN A 1 4 ? -9.622 8.072 7.913 1.00 64.51 4 A 1 ATOM 32 N NE2 . GLN A 1 4 ? -9.079 9.080 6.015 1.00 59.85 4 A 1 ATOM 33 N N . GLN A 1 5 ? -7.714 2.461 5.442 1.00 87.62 5 A 1 ATOM 34 C CA . GLN A 1 5 ? -6.488 1.664 5.527 1.00 90.55 5 A 1 ATOM 35 C C . GLN A 1 5 ? -5.857 1.455 4.147 1.00 91.61 5 A 1 ATOM 36 O O . GLN A 1 5 ? -4.641 1.284 4.040 1.00 89.23 5 A 1 ATOM 37 C CB . GLN A 1 5 ? -6.782 0.313 6.182 1.00 87.16 5 A 1 ATOM 38 C CG . GLN A 1 5 ? -6.991 0.443 7.689 1.00 79.03 5 A 1 ATOM 39 C CD . GLN A 1 5 ? -7.085 -0.912 8.369 1.00 72.61 5 A 1 ATOM 40 O OE1 . GLN A 1 5 ? -7.721 -1.827 7.864 1.00 67.76 5 A 1 ATOM 41 N NE2 . GLN A 1 5 ? -6.452 -1.068 9.517 1.00 63.66 5 A 1 ATOM 42 N N . GLN A 1 6 ? -6.660 1.490 3.085 1.00 92.84 6 A 1 ATOM 43 C CA . GLN A 1 6 ? -6.162 1.301 1.722 1.00 94.20 6 A 1 ATOM 44 C C . GLN A 1 6 ? -5.106 2.350 1.332 1.00 95.18 6 A 1 ATOM 45 O O . GLN A 1 6 ? -4.033 1.973 0.849 1.00 94.07 6 A 1 ATOM 46 C CB . GLN A 1 6 ? -7.327 1.298 0.728 1.00 92.20 6 A 1 ATOM 47 C CG . GLN A 1 6 ? -8.136 0.011 0.780 1.00 84.88 6 A 1 ATOM 48 C CD . GLN A 1 6 ? -9.252 0.015 -0.251 1.00 79.29 6 A 1 ATOM 49 O OE1 . GLN A 1 6 ? -10.175 0.815 -0.182 1.00 74.34 6 A 1 ATOM 50 N NE2 . GLN A 1 6 ? -9.180 -0.865 -1.227 1.00 70.22 6 A 1 ATOM 51 N N . PRO A 1 7 ? -5.360 3.661 1.532 1.00 93.75 7 A 1 ATOM 52 C CA . PRO A 1 7 ? -4.353 4.672 1.180 1.00 94.93 7 A 1 ATOM 53 C C . PRO A 1 7 ? -3.076 4.536 2.012 1.00 95.94 7 A 1 ATOM 54 O O . PRO A 1 7 ? -1.983 4.821 1.520 1.00 94.97 7 A 1 ATOM 55 C CB . PRO A 1 7 ? -5.056 6.017 1.439 1.00 93.13 7 A 1 ATOM 56 C CG . PRO A 1 7 ? -6.163 5.703 2.397 1.00 90.94 7 A 1 ATOM 57 C CD . PRO A 1 7 ? -6.589 4.300 2.038 1.00 93.25 7 A 1 ATOM 58 N N . VAL A 1 8 ? -3.191 4.083 3.250 1.00 94.30 8 A 1 ATOM 59 C CA . VAL A 1 8 ? -2.025 3.875 4.115 1.00 95.13 8 A 1 ATOM 60 C C . VAL A 1 8 ? -1.156 2.745 3.555 1.00 95.83 8 A 1 ATOM 61 O O . VAL A 1 8 ? 0.067 2.873 3.466 1.00 95.31 8 A 1 ATOM 62 C CB . VAL A 1 8 ? -2.461 3.567 5.562 1.00 94.17 8 A 1 ATOM 63 C CG1 . VAL A 1 8 ? -1.251 3.262 6.443 1.00 89.96 8 A 1 ATOM 64 C CG2 . VAL A 1 8 ? -3.231 4.742 6.151 1.00 89.66 8 A 1 ATOM 65 N N . PHE A 1 9 ? -1.793 1.645 3.144 1.00 94.82 9 A 1 ATOM 66 C CA . PHE A 1 9 ? -1.079 0.501 2.574 1.00 95.19 9 A 1 ATOM 67 C C . PHE A 1 9 ? -0.365 0.904 1.284 1.00 95.99 9 A 1 ATOM 68 O O . PHE A 1 9 ? 0.794 0.544 1.070 1.00 96.07 9 A 1 ATOM 69 C CB . PHE A 1 9 ? -2.059 -0.644 2.298 1.00 94.48 9 A 1 ATOM 70 C CG . PHE A 1 9 ? -2.324 -1.526 3.501 1.00 92.07 9 A 1 ATOM 71 C CD1 . PHE A 1 9 ? -2.730 -0.984 4.716 1.00 88.77 9 A 1 ATOM 72 C CD2 . PHE A 1 9 ? -2.172 -2.907 3.398 1.00 88.83 9 A 1 ATOM 73 C CE1 . PHE A 1 9 ? -2.969 -1.799 5.822 1.00 87.83 9 A 1 ATOM 74 C CE2 . PHE A 1 9 ? -2.412 -3.729 4.496 1.00 87.07 9 A 1 ATOM 75 C CZ . PHE A 1 9 ? -2.811 -3.175 5.707 1.00 86.50 9 A 1 ATOM 76 N N . ILE A 1 10 ? -1.039 1.668 0.433 1.00 95.45 10 A 1 ATOM 77 C CA . ILE A 1 10 ? -0.459 2.139 -0.823 1.00 95.68 10 A 1 ATOM 78 C C . ILE A 1 10 ? 0.747 3.045 -0.542 1.00 96.52 10 A 1 ATOM 79 O O . ILE A 1 10 ? 1.785 2.929 -1.200 1.00 96.58 10 A 1 ATOM 80 C CB . ILE A 1 10 ? -1.521 2.873 -1.665 1.00 95.25 10 A 1 ATOM 81 C CG1 . ILE A 1 10 ? -2.615 1.891 -2.115 1.00 93.20 10 A 1 ATOM 82 C CG2 . ILE A 1 10 ? -0.878 3.535 -2.889 1.00 92.50 10 A 1 ATOM 83 C CD1 . ILE A 1 10 ? -3.868 2.574 -2.638 1.00 86.94 10 A 1 ATOM 84 N N . SER A 1 11 ? 0.634 3.920 0.439 1.00 96.02 11 A 1 ATOM 85 C CA . SER A 1 11 ? 1.716 4.829 0.813 1.00 96.36 11 A 1 ATOM 86 C C . SER A 1 11 ? 2.949 4.058 1.294 1.00 96.91 11 A 1 ATOM 87 O O . SER A 1 11 ? 4.077 4.397 0.936 1.00 96.52 11 A 1 ATOM 88 C CB . SER A 1 11 ? 1.233 5.789 1.902 1.00 95.68 11 A 1 ATOM 89 O OG . SER A 1 11 ? 2.224 6.746 2.191 1.00 88.00 11 A 1 ATOM 90 N N . ILE A 1 12 ? 2.734 3.011 2.085 1.00 96.31 12 A 1 ATOM 91 C CA . ILE A 1 12 ? 3.829 2.182 2.591 1.00 96.41 12 A 1 ATOM 92 C C . ILE A 1 12 ? 4.528 1.464 1.433 1.00 97.06 12 A 1 ATOM 93 O O . ILE A 1 12 ? 5.762 1.418 1.375 1.00 96.77 12 A 1 ATOM 94 C CB . ILE A 1 12 ? 3.305 1.166 3.630 1.00 95.89 12 A 1 ATOM 95 C CG1 . ILE A 1 12 ? 2.840 1.899 4.902 1.00 94.50 12 A 1 ATOM 96 C CG2 . ILE A 1 12 ? 4.395 0.145 3.989 1.00 94.14 12 A 1 ATOM 97 C CD1 . ILE A 1 12 ? 2.008 1.028 5.830 1.00 90.30 12 A 1 ATOM 98 N N . ILE A 1 13 ? 3.747 0.916 0.502 1.00 96.58 13 A 1 ATOM 99 C CA . ILE A 1 13 ? 4.296 0.207 -0.652 1.00 96.62 13 A 1 ATOM 100 C C . ILE A 1 13 ? 5.115 1.169 -1.519 1.00 97.16 13 A 1 ATOM 101 O O . ILE A 1 13 ? 6.241 0.850 -1.922 1.00 96.92 13 A 1 ATOM 102 C CB . ILE A 1 13 ? 3.163 -0.452 -1.467 1.00 96.25 13 A 1 ATOM 103 C CG1 . ILE A 1 13 ? 2.516 -1.592 -0.660 1.00 95.41 13 A 1 ATOM 104 C CG2 . ILE A 1 13 ? 3.701 -1.002 -2.797 1.00 94.97 13 A 1 ATOM 105 C CD1 . ILE A 1 13 ? 1.170 -2.038 -1.214 1.00 91.97 13 A 1 ATOM 106 N N . LEU A 1 14 ? 4.579 2.348 -1.798 1.00 96.92 14 A 1 ATOM 107 C CA . LEU A 1 14 ? 5.275 3.345 -2.607 1.00 96.92 14 A 1 ATOM 108 C C . LEU A 1 14 ? 6.563 3.799 -1.922 1.00 97.27 14 A 1 ATOM 109 O O . LEU A 1 14 ? 7.595 3.959 -2.578 1.00 97.13 14 A 1 ATOM 110 C CB . LEU A 1 14 ? 4.356 4.547 -2.851 1.00 96.56 14 A 1 ATOM 111 C CG . LEU A 1 14 ? 3.183 4.264 -3.796 1.00 94.80 14 A 1 ATOM 112 C CD1 . LEU A 1 14 ? 2.220 5.441 -3.802 1.00 93.46 14 A 1 ATOM 113 C CD2 . LEU A 1 14 ? 3.685 4.003 -5.215 1.00 93.62 14 A 1 ATOM 114 N N . LEU A 1 15 ? 6.513 3.996 -0.613 1.00 97.14 15 A 1 ATOM 115 C CA . LEU A 1 15 ? 7.689 4.394 0.157 1.00 96.89 15 A 1 ATOM 116 C C . LEU A 1 15 ? 8.764 3.310 0.101 1.00 97.20 15 A 1 ATOM 117 O O . LEU A 1 15 ? 9.939 3.613 -0.106 1.00 96.53 15 A 1 ATOM 118 C CB . LEU A 1 15 ? 7.284 4.671 1.609 1.00 96.31 15 A 1 ATOM 119 C CG . LEU A 1 15 ? 8.436 5.108 2.517 1.00 92.45 15 A 1 ATOM 120 C CD1 . LEU A 1 15 ? 9.011 6.450 2.066 1.00 91.21 15 A 1 ATOM 121 C CD2 . LEU A 1 15 ? 7.949 5.219 3.957 1.00 91.72 15 A 1 ATOM 122 N N . ALA A 1 16 ? 8.357 2.052 0.263 1.00 97.84 16 A 1 ATOM 123 C CA . ALA A 1 16 ? 9.288 0.928 0.222 1.00 97.81 16 A 1 ATOM 124 C C . ALA A 1 16 ? 9.969 0.830 -1.145 1.00 97.96 16 A 1 ATOM 125 O O . ALA A 1 16 ? 11.186 0.659 -1.223 1.00 97.38 16 A 1 ATOM 126 C CB . ALA A 1 16 ? 8.545 -0.366 0.556 1.00 97.34 16 A 1 ATOM 127 N N . ILE A 1 17 ? 9.196 0.967 -2.225 1.00 98.15 17 A 1 ATOM 128 C CA . ILE A 1 17 ? 9.734 0.894 -3.582 1.00 97.97 17 A 1 ATOM 129 C C . ILE A 1 17 ? 10.701 2.052 -3.846 1.00 98.04 17 A 1 ATOM 130 O O . ILE A 1 17 ? 11.782 1.850 -4.404 1.00 97.49 17 A 1 ATOM 131 C CB . ILE A 1 17 ? 8.586 0.888 -4.615 1.00 97.50 17 A 1 ATOM 132 C CG1 . ILE A 1 17 ? 7.770 -0.411 -4.500 1.00 95.81 17 A 1 ATOM 133 C CG2 . ILE A 1 17 ? 9.142 1.033 -6.039 1.00 95.43 17 A 1 ATOM 134 C CD1 . ILE A 1 17 ? 6.441 -0.360 -5.244 1.00 94.59 17 A 1 ATOM 135 N N . ASN A 1 18 ? 10.329 3.260 -3.439 1.00 97.82 18 A 1 ATOM 136 C CA . ASN A 1 18 ? 11.163 4.437 -3.673 1.00 97.65 18 A 1 ATOM 137 C C . ASN A 1 18 ? 12.420 4.460 -2.794 1.00 97.61 18 A 1 ATOM 138 O O . ASN A 1 18 ? 13.420 5.072 -3.163 1.00 96.56 18 A 1 ATOM 139 C CB . ASN A 1 18 ? 10.335 5.705 -3.441 1.00 97.07 18 A 1 ATOM 140 C CG . ASN A 1 18 ? 9.457 6.031 -4.634 1.00 93.36 18 A 1 ATOM 141 O OD1 . ASN A 1 18 ? 9.903 6.624 -5.602 1.00 87.37 18 A 1 ATOM 142 N ND2 . ASN A 1 18 ? 8.199 5.651 -4.582 1.00 86.95 18 A 1 ATOM 143 N N . THR A 1 19 ? 12.365 3.813 -1.631 1.00 97.71 19 A 1 ATOM 144 C CA . THR A 1 19 ? 13.500 3.789 -0.700 1.00 97.43 19 A 1 ATOM 145 C C . THR A 1 19 ? 14.430 2.603 -0.967 1.00 97.13 19 A 1 ATOM 146 O O . THR A 1 19 ? 15.641 2.708 -0.767 1.00 95.63 19 A 1 ATOM 147 C CB . THR A 1 19 ? 12.997 3.731 0.753 1.00 96.62 19 A 1 ATOM 148 O OG1 . THR A 1 19 ? 12.100 4.807 0.999 1.00 92.22 19 A 1 ATOM 149 C CG2 . THR A 1 19 ? 14.143 3.838 1.753 1.00 89.64 19 A 1 ATOM 150 N N . ASP A 1 20 ? 13.855 1.489 -1.412 1.00 94.55 20 A 1 ATOM 151 C CA . ASP A 1 20 ? 14.618 0.258 -1.638 1.00 94.56 20 A 1 ATOM 152 C C . ASP A 1 20 ? 15.182 0.176 -3.059 1.00 93.43 20 A 1 ATOM 153 O O . ASP A 1 20 ? 16.134 -0.566 -3.313 1.00 88.57 20 A 1 ATOM 154 C CB . ASP A 1 20 ? 13.716 -0.953 -1.349 1.00 91.96 20 A 1 ATOM 155 C CG . ASP A 1 20 ? 14.488 -2.208 -0.976 1.00 83.34 20 A 1 ATOM 156 O OD1 . ASP A 1 20 ? 15.696 -2.113 -0.706 1.00 79.97 20 A 1 ATOM 157 O OD2 . ASP A 1 20 ? 13.869 -3.293 -0.942 1.00 80.52 20 A 1 ATOM 158 N N . ALA A 1 21 ? 14.611 0.932 -3.986 1.00 94.53 21 A 1 ATOM 159 C CA . ALA A 1 21 ? 15.030 0.909 -5.383 1.00 93.16 21 A 1 ATOM 160 C C . ALA A 1 21 ? 16.027 2.026 -5.708 1.00 89.73 21 A 1 ATOM 161 O O . ALA A 1 21 ? 15.898 3.127 -5.151 1.00 84.84 21 A 1 ATOM 162 C CB . ALA A 1 21 ? 13.809 0.993 -6.297 1.00 89.56 21 A 1 ATOM 163 O OXT . ALA A 1 21 ? 16.912 1.797 -6.567 1.00 79.32 21 A 1 #