# 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_spkb40299 # _entry.id spkb40299 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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 ALA 2 1 n PHE 3 1 n SER 4 1 n ASN 5 1 n ALA 6 1 n LEU 7 1 n VAL 8 1 n LEU 9 1 n CYS 10 1 n PHE 11 1 n LEU 12 1 n LEU 13 1 n ALA 14 1 n ILE 15 1 n ILE 16 1 n ASN 17 1 n MET 18 1 n ALA 19 1 n LEU 20 1 n PRO 21 1 n SER 22 1 n LEU 23 1 n ALA 24 # _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 12:12:26)" _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 93.13 _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 87.23 1 1 A ALA 2 2 94.96 1 2 A PHE 3 2 93.39 1 3 A SER 4 2 95.35 1 4 A ASN 5 2 95.56 1 5 A ALA 6 2 98.04 1 6 A LEU 7 2 95.63 1 7 A VAL 8 2 97.50 1 8 A LEU 9 2 95.79 1 9 A CYS 10 2 97.16 1 10 A PHE 11 2 95.47 1 11 A LEU 12 2 95.38 1 12 A LEU 13 2 94.65 1 13 A ALA 14 2 97.28 1 14 A ILE 15 2 95.47 1 15 A ILE 16 2 95.09 1 16 A ASN 17 2 92.49 1 17 A MET 18 2 89.50 1 18 A ALA 19 2 94.78 1 19 A LEU 20 2 89.04 1 20 A PRO 21 2 92.01 1 21 A SER 22 2 89.20 1 22 A LEU 23 2 85.72 1 23 A ALA 24 2 79.90 1 24 # _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 PHE . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n PRO . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n ALA . 24 A 24 # _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 ? 5.867 -6.482 16.557 1.00 93.19 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.855 -5.408 16.547 1.00 94.21 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.066 -5.452 15.241 1.00 95.02 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.506 -4.932 14.222 1.00 93.54 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.544 -4.058 16.701 1.00 90.48 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.998 -3.838 18.132 1.00 83.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.303 -2.628 18.255 1.00 78.04 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.654 -2.715 20.002 1.00 69.56 1 A 1 ATOM 9 N N . ALA A 1 2 ? 2.917 -6.096 15.296 1.00 92.58 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 2.079 -6.280 14.114 1.00 95.71 2 A 1 ATOM 11 C C . ALA A 1 2 ? 1.370 -4.994 13.704 1.00 96.62 2 A 1 ATOM 12 O O . ALA A 1 2 ? 0.853 -4.894 12.594 1.00 95.97 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 1.053 -7.377 14.381 1.00 93.90 2 A 1 ATOM 14 N N . PHE A 1 3 ? 1.349 -4.034 14.598 1.00 97.26 3 A 1 ATOM 15 C CA . PHE A 1 3 ? 0.690 -2.760 14.311 1.00 97.25 3 A 1 ATOM 16 C C . PHE A 1 3 ? 1.331 -2.078 13.106 1.00 97.64 3 A 1 ATOM 17 O O . PHE A 1 3 ? 0.636 -1.575 12.220 1.00 97.45 3 A 1 ATOM 18 C CB . PHE A 1 3 ? 0.767 -1.852 15.535 1.00 96.62 3 A 1 ATOM 19 C CG . PHE A 1 3 ? -0.076 -0.619 15.377 1.00 93.68 3 A 1 ATOM 20 C CD1 . PHE A 1 3 ? -1.456 -0.697 15.475 1.00 91.27 3 A 1 ATOM 21 C CD2 . PHE A 1 3 ? 0.516 0.607 15.125 1.00 90.30 3 A 1 ATOM 22 C CE1 . PHE A 1 3 ? -2.243 0.432 15.325 1.00 88.92 3 A 1 ATOM 23 C CE2 . PHE A 1 3 ? -0.265 1.746 14.969 1.00 88.58 3 A 1 ATOM 24 C CZ . PHE A 1 3 ? -1.645 1.657 15.071 1.00 88.28 3 A 1 ATOM 25 N N . SER A 1 4 ? 2.651 -2.095 13.069 1.00 96.61 4 A 1 ATOM 26 C CA . SER A 1 4 ? 3.381 -1.503 11.950 1.00 97.12 4 A 1 ATOM 27 C C . SER A 1 4 ? 3.096 -2.254 10.658 1.00 97.61 4 A 1 ATOM 28 O O . SER A 1 4 ? 2.970 -1.656 9.591 1.00 97.11 4 A 1 ATOM 29 C CB . SER A 1 4 ? 4.874 -1.508 12.238 1.00 95.81 4 A 1 ATOM 30 O OG . SER A 1 4 ? 5.209 -0.417 13.069 1.00 87.86 4 A 1 ATOM 31 N N . ASN A 1 5 ? 2.993 -3.571 10.763 1.00 97.51 5 A 1 ATOM 32 C CA . ASN A 1 5 ? 2.692 -4.410 9.604 1.00 97.76 5 A 1 ATOM 33 C C . ASN A 1 5 ? 1.330 -4.065 9.023 1.00 98.01 5 A 1 ATOM 34 O O . ASN A 1 5 ? 1.158 -3.979 7.808 1.00 97.81 5 A 1 ATOM 35 C CB . ASN A 1 5 ? 2.731 -5.888 10.008 1.00 97.19 5 A 1 ATOM 36 C CG . ASN A 1 5 ? 3.853 -6.621 9.311 1.00 94.18 5 A 1 ATOM 37 O OD1 . ASN A 1 5 ? 4.995 -6.553 9.724 1.00 91.44 5 A 1 ATOM 38 N ND2 . ASN A 1 5 ? 3.535 -7.331 8.250 1.00 90.62 5 A 1 ATOM 39 N N . ALA A 1 6 ? 0.357 -3.878 9.893 1.00 98.05 6 A 1 ATOM 40 C CA . ALA A 1 6 ? -0.993 -3.528 9.460 1.00 98.13 6 A 1 ATOM 41 C C . ALA A 1 6 ? -1.009 -2.163 8.779 1.00 98.33 6 A 1 ATOM 42 O O . ALA A 1 6 ? -1.705 -1.961 7.784 1.00 97.90 6 A 1 ATOM 43 C CB . ALA A 1 6 ? -1.937 -3.533 10.658 1.00 97.78 6 A 1 ATOM 44 N N . LEU A 1 7 ? -0.225 -1.249 9.314 1.00 97.97 7 A 1 ATOM 45 C CA . LEU A 1 7 ? -0.133 0.097 8.754 1.00 97.89 7 A 1 ATOM 46 C C . LEU A 1 7 ? 0.475 0.058 7.358 1.00 98.09 7 A 1 ATOM 47 O O . LEU A 1 7 ? -0.012 0.711 6.433 1.00 97.98 7 A 1 ATOM 48 C CB . LEU A 1 7 ? 0.702 0.979 9.682 1.00 97.52 7 A 1 ATOM 49 C CG . LEU A 1 7 ? -0.044 2.201 10.191 1.00 93.28 7 A 1 ATOM 50 C CD1 . LEU A 1 7 ? 0.609 2.740 11.454 1.00 91.24 7 A 1 ATOM 51 C CD2 . LEU A 1 7 ? -0.076 3.274 9.115 1.00 91.06 7 A 1 ATOM 52 N N . VAL A 1 8 ? 1.530 -0.732 7.215 1.00 98.14 8 A 1 ATOM 53 C CA . VAL A 1 8 ? 2.198 -0.886 5.921 1.00 98.17 8 A 1 ATOM 54 C C . VAL A 1 8 ? 1.258 -1.513 4.901 1.00 98.27 8 A 1 ATOM 55 O O . VAL A 1 8 ? 1.224 -1.112 3.737 1.00 98.04 8 A 1 ATOM 56 C CB . VAL A 1 8 ? 3.459 -1.746 6.063 1.00 97.82 8 A 1 ATOM 57 C CG1 . VAL A 1 8 ? 4.069 -2.036 4.698 1.00 96.05 8 A 1 ATOM 58 C CG2 . VAL A 1 8 ? 4.473 -1.049 6.948 1.00 96.03 8 A 1 ATOM 59 N N . LEU A 1 9 ? 0.509 -2.501 5.340 1.00 97.91 9 A 1 ATOM 60 C CA . LEU A 1 9 ? -0.443 -3.174 4.461 1.00 97.61 9 A 1 ATOM 61 C C . LEU A 1 9 ? -1.510 -2.197 3.977 1.00 97.84 9 A 1 ATOM 62 O O . LEU A 1 9 ? -1.865 -2.179 2.801 1.00 97.92 9 A 1 ATOM 63 C CB . LEU A 1 9 ? -1.099 -4.337 5.210 1.00 97.29 9 A 1 ATOM 64 C CG . LEU A 1 9 ? -1.876 -5.286 4.299 1.00 93.42 9 A 1 ATOM 65 C CD1 . LEU A 1 9 ? -0.914 -6.124 3.464 1.00 91.85 9 A 1 ATOM 66 C CD2 . LEU A 1 9 ? -2.783 -6.181 5.118 1.00 92.45 9 A 1 ATOM 67 N N . CYS A 1 10 ? -2.012 -1.394 4.878 1.00 97.94 10 A 1 ATOM 68 C CA . CYS A 1 10 ? -3.022 -0.390 4.543 1.00 97.92 10 A 1 ATOM 69 C C . CYS A 1 10 ? -2.455 0.626 3.556 1.00 98.06 10 A 1 ATOM 70 O O . CYS A 1 10 ? -3.132 1.057 2.623 1.00 97.74 10 A 1 ATOM 71 C CB . CYS A 1 10 ? -3.494 0.305 5.822 1.00 97.56 10 A 1 ATOM 72 S SG . CYS A 1 10 ? -5.111 1.078 5.617 1.00 93.74 10 A 1 ATOM 73 N N . PHE A 1 11 ? -1.207 0.985 3.771 1.00 97.60 11 A 1 ATOM 74 C CA . PHE A 1 11 ? -0.517 1.929 2.893 1.00 97.55 11 A 1 ATOM 75 C C . PHE A 1 11 ? -0.371 1.354 1.488 1.00 97.78 11 A 1 ATOM 76 O O . PHE A 1 11 ? -0.620 2.038 0.496 1.00 97.70 11 A 1 ATOM 77 C CB . PHE A 1 11 ? 0.853 2.253 3.483 1.00 97.52 11 A 1 ATOM 78 C CG . PHE A 1 11 ? 1.681 3.130 2.584 1.00 96.01 11 A 1 ATOM 79 C CD1 . PHE A 1 11 ? 1.261 4.413 2.269 1.00 93.20 11 A 1 ATOM 80 C CD2 . PHE A 1 11 ? 2.879 2.664 2.065 1.00 93.99 11 A 1 ATOM 81 C CE1 . PHE A 1 11 ? 2.022 5.228 1.441 1.00 92.65 11 A 1 ATOM 82 C CE2 . PHE A 1 11 ? 3.645 3.473 1.233 1.00 92.79 11 A 1 ATOM 83 C CZ . PHE A 1 11 ? 3.218 4.754 0.918 1.00 93.33 11 A 1 ATOM 84 N N . LEU A 1 12 ? 0.025 0.093 1.417 1.00 97.55 12 A 1 ATOM 85 C CA . LEU A 1 12 ? 0.188 -0.582 0.133 1.00 97.35 12 A 1 ATOM 86 C C . LEU A 1 12 ? -1.139 -0.648 -0.614 1.00 97.47 12 A 1 ATOM 87 O O . LEU A 1 12 ? -1.201 -0.431 -1.823 1.00 97.35 12 A 1 ATOM 88 C CB . LEU A 1 12 ? 0.729 -1.994 0.358 1.00 97.19 12 A 1 ATOM 89 C CG . LEU A 1 12 ? 1.728 -2.434 -0.712 1.00 92.57 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? 3.116 -1.894 -0.397 1.00 91.41 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? 1.762 -3.948 -0.820 1.00 92.13 12 A 1 ATOM 92 N N . LEU A 1 13 ? -2.186 -0.951 0.108 1.00 97.33 13 A 1 ATOM 93 C CA . LEU A 1 13 ? -3.521 -1.037 -0.476 1.00 96.87 13 A 1 ATOM 94 C C . LEU A 1 13 ? -3.954 0.314 -1.032 1.00 97.00 13 A 1 ATOM 95 O O . LEU A 1 13 ? -4.551 0.397 -2.106 1.00 96.85 13 A 1 ATOM 96 C CB . LEU A 1 13 ? -4.510 -1.519 0.586 1.00 96.49 13 A 1 ATOM 97 C CG . LEU A 1 13 ? -5.684 -2.302 0.003 1.00 91.74 13 A 1 ATOM 98 C CD1 . LEU A 1 13 ? -5.993 -3.510 0.874 1.00 90.30 13 A 1 ATOM 99 C CD2 . LEU A 1 13 ? -6.908 -1.422 -0.116 1.00 90.60 13 A 1 ATOM 100 N N . ALA A 1 14 ? -3.649 1.360 -0.301 1.00 97.57 14 A 1 ATOM 101 C CA . ALA A 1 14 ? -3.982 2.715 -0.732 1.00 97.37 14 A 1 ATOM 102 C C . ALA A 1 14 ? -3.224 3.080 -2.002 1.00 97.56 14 A 1 ATOM 103 O O . ALA A 1 14 ? -3.761 3.756 -2.880 1.00 96.95 14 A 1 ATOM 104 C CB . ALA A 1 14 ? -3.657 3.703 0.382 1.00 96.97 14 A 1 ATOM 105 N N . ILE A 1 15 ? -1.988 2.626 -2.099 1.00 96.95 15 A 1 ATOM 106 C CA . ILE A 1 15 ? -1.165 2.893 -3.275 1.00 96.41 15 A 1 ATOM 107 C C . ILE A 1 15 ? -1.777 2.252 -4.512 1.00 96.45 15 A 1 ATOM 108 O O . ILE A 1 15 ? -1.911 2.891 -5.554 1.00 95.82 15 A 1 ATOM 109 C CB . ILE A 1 15 ? 0.269 2.377 -3.066 1.00 96.03 15 A 1 ATOM 110 C CG1 . ILE A 1 15 ? 1.014 3.287 -2.087 1.00 95.19 15 A 1 ATOM 111 C CG2 . ILE A 1 15 ? 1.020 2.330 -4.399 1.00 94.62 15 A 1 ATOM 112 C CD1 . ILE A 1 15 ? 2.391 2.772 -1.734 1.00 92.25 15 A 1 ATOM 113 N N . ILE A 1 16 ? -2.150 0.997 -4.393 1.00 96.54 16 A 1 ATOM 114 C CA . ILE A 1 16 ? -2.740 0.279 -5.520 1.00 95.83 16 A 1 ATOM 115 C C . ILE A 1 16 ? -4.061 0.921 -5.938 1.00 95.78 16 A 1 ATOM 116 O O . ILE A 1 16 ? -4.417 0.936 -7.117 1.00 95.46 16 A 1 ATOM 117 C CB . ILE A 1 16 ? -2.954 -1.197 -5.157 1.00 95.53 16 A 1 ATOM 118 C CG1 . ILE A 1 16 ? -1.609 -1.869 -4.867 1.00 94.84 16 A 1 ATOM 119 C CG2 . ILE A 1 16 ? -3.663 -1.929 -6.299 1.00 94.33 16 A 1 ATOM 120 C CD1 . ILE A 1 16 ? -1.759 -3.218 -4.199 1.00 92.45 16 A 1 ATOM 121 N N . ASN A 1 17 ? -4.769 1.443 -4.972 1.00 96.14 17 A 1 ATOM 122 C CA . ASN A 1 17 ? -6.055 2.076 -5.237 1.00 95.75 17 A 1 ATOM 123 C C . ASN A 1 17 ? -5.889 3.471 -5.834 1.00 95.86 17 A 1 ATOM 124 O O . ASN A 1 17 ? -6.762 3.956 -6.547 1.00 95.33 17 A 1 ATOM 125 C CB . ASN A 1 17 ? -6.865 2.161 -3.943 1.00 94.96 17 A 1 ATOM 126 C CG . ASN A 1 17 ? -8.293 1.717 -4.162 1.00 91.26 17 A 1 ATOM 127 O OD1 . ASN A 1 17 ? -9.134 2.488 -4.593 1.00 85.59 17 A 1 ATOM 128 N ND2 . ASN A 1 17 ? -8.585 0.470 -3.865 1.00 85.03 17 A 1 ATOM 129 N N . MET A 1 18 ? -4.775 4.107 -5.543 1.00 95.52 18 A 1 ATOM 130 C CA . MET A 1 18 ? -4.509 5.463 -6.025 1.00 94.42 18 A 1 ATOM 131 C C . MET A 1 18 ? -3.528 5.482 -7.194 1.00 94.61 18 A 1 ATOM 132 O O . MET A 1 18 ? -3.642 6.309 -8.092 1.00 93.08 18 A 1 ATOM 133 C CB . MET A 1 18 ? -3.971 6.329 -4.884 1.00 92.64 18 A 1 ATOM 134 C CG . MET A 1 18 ? -5.067 6.848 -3.983 1.00 88.13 18 A 1 ATOM 135 S SD . MET A 1 18 ? -4.687 8.458 -3.289 1.00 82.69 18 A 1 ATOM 136 C CE . MET A 1 18 ? -3.528 7.992 -2.012 1.00 74.91 18 A 1 ATOM 137 N N . ALA A 1 19 ? -2.561 4.575 -7.165 1.00 95.52 19 A 1 ATOM 138 C CA . ALA A 1 19 ? -1.538 4.532 -8.204 1.00 95.00 19 A 1 ATOM 139 C C . ALA A 1 19 ? -2.029 3.797 -9.444 1.00 95.37 19 A 1 ATOM 140 O O . ALA A 1 19 ? -1.573 4.070 -10.554 1.00 94.12 19 A 1 ATOM 141 C CB . ALA A 1 19 ? -0.268 3.882 -7.666 1.00 93.87 19 A 1 ATOM 142 N N . LEU A 1 20 ? -2.962 2.870 -9.252 1.00 94.22 20 A 1 ATOM 143 C CA . LEU A 1 20 ? -3.478 2.080 -10.363 1.00 93.78 20 A 1 ATOM 144 C C . LEU A 1 20 ? -5.006 2.109 -10.419 1.00 94.10 20 A 1 ATOM 145 O O . LEU A 1 20 ? -5.654 1.062 -10.401 1.00 93.05 20 A 1 ATOM 146 C CB . LEU A 1 20 ? -2.974 0.646 -10.233 1.00 91.77 20 A 1 ATOM 147 C CG . LEU A 1 20 ? -2.751 -0.047 -11.570 1.00 84.67 20 A 1 ATOM 148 C CD1 . LEU A 1 20 ? -1.359 0.255 -12.098 1.00 81.44 20 A 1 ATOM 149 C CD2 . LEU A 1 20 ? -2.943 -1.553 -11.413 1.00 79.30 20 A 1 ATOM 150 N N . PRO A 1 21 ? -5.587 3.297 -10.503 1.00 93.54 21 A 1 ATOM 151 C CA . PRO A 1 21 ? -7.043 3.417 -10.548 1.00 93.24 21 A 1 ATOM 152 C C . PRO A 1 21 ? -7.585 3.401 -11.970 1.00 93.60 21 A 1 ATOM 153 O O . PRO A 1 21 ? -8.769 3.149 -12.190 1.00 91.31 21 A 1 ATOM 154 C CB . PRO A 1 21 ? -7.300 4.769 -9.882 1.00 90.94 21 A 1 ATOM 155 C CG . PRO A 1 21 ? -6.066 5.578 -10.209 1.00 89.39 21 A 1 ATOM 156 C CD . PRO A 1 21 ? -4.935 4.591 -10.494 1.00 92.08 21 A 1 ATOM 157 N N . SER A 1 22 ? -6.731 3.657 -12.946 1.00 92.47 22 A 1 ATOM 158 C CA . SER A 1 22 ? -7.138 3.722 -14.343 1.00 92.44 22 A 1 ATOM 159 C C . SER A 1 22 ? -6.543 2.583 -15.154 1.00 92.32 22 A 1 ATOM 160 O O . SER A 1 22 ? -5.486 2.060 -14.818 1.00 89.41 22 A 1 ATOM 161 C CB . SER A 1 22 ? -6.717 5.055 -14.954 1.00 89.93 22 A 1 ATOM 162 O OG . SER A 1 22 ? -5.317 5.184 -14.968 1.00 78.66 22 A 1 ATOM 163 N N . LEU A 1 23 ? -7.216 2.231 -16.231 1.00 92.19 23 A 1 ATOM 164 C CA . LEU A 1 23 ? -6.765 1.161 -17.114 1.00 91.29 23 A 1 ATOM 165 C C . LEU A 1 23 ? -6.717 -0.185 -16.412 1.00 91.58 23 A 1 ATOM 166 O O . LEU A 1 23 ? -7.581 -1.033 -16.604 1.00 89.27 23 A 1 ATOM 167 C CB . LEU A 1 23 ? -5.387 1.513 -17.692 1.00 89.26 23 A 1 ATOM 168 C CG . LEU A 1 23 ? -5.028 0.763 -18.971 1.00 82.61 23 A 1 ATOM 169 C CD1 . LEU A 1 23 ? -6.046 1.057 -20.058 1.00 75.71 23 A 1 ATOM 170 C CD2 . LEU A 1 23 ? -3.631 1.152 -19.434 1.00 73.81 23 A 1 ATOM 171 N N . ALA A 1 24 ? -5.698 -0.364 -15.609 1.00 86.63 24 A 1 ATOM 172 C CA . ALA A 1 24 ? -5.512 -1.610 -14.869 1.00 84.48 24 A 1 ATOM 173 C C . ALA A 1 24 ? -5.943 -1.426 -13.424 1.00 81.44 24 A 1 ATOM 174 O O . ALA A 1 24 ? -6.893 -2.103 -12.992 1.00 77.48 24 A 1 ATOM 175 C CB . ALA A 1 24 ? -4.052 -2.058 -14.940 1.00 78.15 24 A 1 ATOM 176 O OXT . ALA A 1 24 ? -5.327 -0.607 -12.750 1.00 71.19 24 A 1 #