# 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_spkb34895 # _entry.id spkb34895 # 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" "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 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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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" # _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 LYS 2 1 n GLY 3 1 n PHE 4 1 n THR 5 1 n LYS 6 1 n HIS 7 1 n SER 8 1 n ILE 9 1 n LEU 10 1 n MET 11 1 n ALA 12 1 n CYS 13 1 n SER 14 1 n ILE 15 1 n GLY 16 1 n LEU 17 1 n ALA 18 1 n ILE 19 1 n ASN 20 1 n ALA 21 1 n THR 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 @ 2025-07-11 12:41:58)" _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 88.61 _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 73.86 1 1 A LYS 2 2 74.34 1 2 A GLY 3 2 88.58 1 3 A PHE 4 2 79.87 1 4 A THR 5 2 86.83 1 5 A LYS 6 2 84.23 1 6 A HIS 7 2 87.15 1 7 A SER 8 2 91.46 1 8 A ILE 9 2 92.46 1 9 A LEU 10 2 91.63 1 10 A MET 11 2 88.73 1 11 A ALA 12 2 95.32 1 12 A CYS 13 2 93.79 1 13 A SER 14 2 92.62 1 14 A ILE 15 2 93.75 1 15 A GLY 16 2 95.98 1 16 A LEU 17 2 93.19 1 17 A ALA 18 2 96.52 1 18 A ILE 19 2 94.32 1 19 A ASN 20 2 90.79 1 20 A ALA 21 2 95.37 1 21 A THR 22 2 91.07 1 22 A ALA 23 2 86.33 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 LYS . 2 A 2 A 3 1 n GLY . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n HIS . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n ASN . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n THR . 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 ? 2.444 4.640 15.543 1.00 78.77 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.091 3.318 15.607 1.00 81.73 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.066 2.201 15.800 1.00 83.12 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.290 1.091 15.339 1.00 76.49 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.134 3.294 16.721 1.00 74.67 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.202 4.380 16.535 1.00 71.66 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.792 5.007 18.107 1.00 65.22 1 A 1 ATOM 8 C CE . MET A 1 1 ? 6.862 6.331 17.562 1.00 59.21 1 A 1 ATOM 9 N N . LYS A 1 2 ? 0.922 2.489 16.412 1.00 81.46 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -0.192 1.537 16.505 1.00 84.70 2 A 1 ATOM 11 C C . LYS A 1 2 ? -0.999 1.573 15.202 1.00 86.32 2 A 1 ATOM 12 O O . LYS A 1 2 ? -1.468 2.631 14.800 1.00 81.37 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -1.040 1.853 17.746 1.00 79.01 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -1.218 0.645 18.666 1.00 71.79 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -1.973 1.021 19.939 1.00 68.61 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -2.128 -0.186 20.861 1.00 61.13 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -2.810 0.175 22.130 1.00 54.69 2 A 1 ATOM 18 N N . GLY A 1 3 ? -1.134 0.436 14.512 1.00 86.17 3 A 1 ATOM 19 C CA . GLY A 1 3 ? -1.887 0.344 13.254 1.00 88.74 3 A 1 ATOM 20 C C . GLY A 1 3 ? -1.125 0.817 12.018 1.00 90.72 3 A 1 ATOM 21 O O . GLY A 1 3 ? -1.705 0.850 10.933 1.00 88.69 3 A 1 ATOM 22 N N . PHE A 1 4 ? 0.160 1.143 12.148 1.00 87.14 4 A 1 ATOM 23 C CA . PHE A 1 4 ? 1.005 1.574 11.027 1.00 88.06 4 A 1 ATOM 24 C C . PHE A 1 4 ? 1.073 0.495 9.947 1.00 90.56 4 A 1 ATOM 25 O O . PHE A 1 4 ? 1.022 0.789 8.755 1.00 88.89 4 A 1 ATOM 26 C CB . PHE A 1 4 ? 2.398 1.912 11.564 1.00 85.43 4 A 1 ATOM 27 C CG . PHE A 1 4 ? 3.129 2.920 10.714 1.00 78.72 4 A 1 ATOM 28 C CD1 . PHE A 1 4 ? 2.931 4.292 10.933 1.00 75.61 4 A 1 ATOM 29 C CD2 . PHE A 1 4 ? 4.008 2.505 9.712 1.00 74.11 4 A 1 ATOM 30 C CE1 . PHE A 1 4 ? 3.599 5.238 10.149 1.00 70.42 4 A 1 ATOM 31 C CE2 . PHE A 1 4 ? 4.679 3.448 8.918 1.00 71.67 4 A 1 ATOM 32 C CZ . PHE A 1 4 ? 4.473 4.818 9.142 1.00 67.92 4 A 1 ATOM 33 N N . THR A 1 5 ? 1.082 -0.767 10.356 1.00 87.93 5 A 1 ATOM 34 C CA . THR A 1 5 ? 1.069 -1.921 9.454 1.00 90.15 5 A 1 ATOM 35 C C . THR A 1 5 ? -0.223 -1.990 8.640 1.00 91.42 5 A 1 ATOM 36 O O . THR A 1 5 ? -0.185 -2.305 7.453 1.00 90.29 5 A 1 ATOM 37 C CB . THR A 1 5 ? 1.241 -3.224 10.251 1.00 88.21 5 A 1 ATOM 38 O OG1 . THR A 1 5 ? 1.965 -2.996 11.442 1.00 81.11 5 A 1 ATOM 39 C CG2 . THR A 1 5 ? 1.983 -4.279 9.453 1.00 78.73 5 A 1 ATOM 40 N N . LYS A 1 6 ? -1.367 -1.644 9.230 1.00 91.51 6 A 1 ATOM 41 C CA . LYS A 1 6 ? -2.649 -1.591 8.513 1.00 92.30 6 A 1 ATOM 42 C C . LYS A 1 6 ? -2.656 -0.485 7.456 1.00 92.55 6 A 1 ATOM 43 O O . LYS A 1 6 ? -3.110 -0.718 6.338 1.00 91.56 6 A 1 ATOM 44 C CB . LYS A 1 6 ? -3.819 -1.398 9.486 1.00 91.15 6 A 1 ATOM 45 C CG . LYS A 1 6 ? -4.439 -2.724 9.921 1.00 84.33 6 A 1 ATOM 46 C CD . LYS A 1 6 ? -5.746 -2.487 10.675 1.00 79.35 6 A 1 ATOM 47 C CE . LYS A 1 6 ? -6.517 -3.791 10.856 1.00 70.78 6 A 1 ATOM 48 N NZ . LYS A 1 6 ? -7.856 -3.560 11.459 1.00 64.53 6 A 1 ATOM 49 N N . HIS A 1 7 ? -2.128 0.694 7.778 1.00 92.64 7 A 1 ATOM 50 C CA . HIS A 1 7 ? -2.000 1.790 6.820 1.00 92.68 7 A 1 ATOM 51 C C . HIS A 1 7 ? -1.046 1.431 5.684 1.00 94.10 7 A 1 ATOM 52 O O . HIS A 1 7 ? -1.324 1.753 4.530 1.00 93.32 7 A 1 ATOM 53 C CB . HIS A 1 7 ? -1.542 3.061 7.541 1.00 91.90 7 A 1 ATOM 54 C CG . HIS A 1 7 ? -2.676 4.021 7.752 1.00 87.76 7 A 1 ATOM 55 N ND1 . HIS A 1 7 ? -3.439 4.127 8.886 1.00 77.56 7 A 1 ATOM 56 C CD2 . HIS A 1 7 ? -3.161 4.938 6.861 1.00 78.79 7 A 1 ATOM 57 C CE1 . HIS A 1 7 ? -4.357 5.083 8.681 1.00 80.39 7 A 1 ATOM 58 N NE2 . HIS A 1 7 ? -4.221 5.599 7.461 1.00 82.32 7 A 1 ATOM 59 N N . SER A 1 8 ? 0.037 0.712 5.979 1.00 92.71 8 A 1 ATOM 60 C CA . SER A 1 8 ? 0.985 0.235 4.971 1.00 93.01 8 A 1 ATOM 61 C C . SER A 1 8 ? 0.326 -0.759 4.011 1.00 94.31 8 A 1 ATOM 62 O O . SER A 1 8 ? 0.532 -0.674 2.804 1.00 94.05 8 A 1 ATOM 63 C CB . SER A 1 8 ? 2.189 -0.391 5.662 1.00 91.72 8 A 1 ATOM 64 O OG . SER A 1 8 ? 3.201 -0.640 4.722 1.00 82.99 8 A 1 ATOM 65 N N . ILE A 1 9 ? -0.517 -1.649 4.512 1.00 93.92 9 A 1 ATOM 66 C CA . ILE A 1 9 ? -1.276 -2.596 3.684 1.00 94.40 9 A 1 ATOM 67 C C . ILE A 1 9 ? -2.264 -1.849 2.781 1.00 94.98 9 A 1 ATOM 68 O O . ILE A 1 9 ? -2.370 -2.167 1.596 1.00 94.61 9 A 1 ATOM 69 C CB . ILE A 1 9 ? -1.990 -3.634 4.571 1.00 94.85 9 A 1 ATOM 70 C CG1 . ILE A 1 9 ? -0.961 -4.555 5.262 1.00 91.98 9 A 1 ATOM 71 C CG2 . ILE A 1 9 ? -2.968 -4.493 3.749 1.00 90.45 9 A 1 ATOM 72 C CD1 . ILE A 1 9 ? -1.541 -5.329 6.447 1.00 84.50 9 A 1 ATOM 73 N N . LEU A 1 10 ? -2.949 -0.839 3.300 1.00 94.59 10 A 1 ATOM 74 C CA . LEU A 1 10 ? -3.857 -0.006 2.507 1.00 94.81 10 A 1 ATOM 75 C C . LEU A 1 10 ? -3.116 0.739 1.394 1.00 95.41 10 A 1 ATOM 76 O O . LEU A 1 10 ? -3.589 0.759 0.257 1.00 95.80 10 A 1 ATOM 77 C CB . LEU A 1 10 ? -4.581 0.980 3.433 1.00 95.12 10 A 1 ATOM 78 C CG . LEU A 1 10 ? -5.824 0.376 4.095 1.00 88.15 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? -6.229 1.200 5.309 1.00 84.27 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? -7.000 0.340 3.121 1.00 84.90 10 A 1 ATOM 81 N N . MET A 1 11 ? -1.946 1.295 1.687 1.00 95.07 11 A 1 ATOM 82 C CA . MET A 1 11 ? -1.093 1.917 0.669 1.00 94.63 11 A 1 ATOM 83 C C . MET A 1 11 ? -0.655 0.909 -0.392 1.00 95.35 11 A 1 ATOM 84 O O . MET A 1 11 ? -0.775 1.187 -1.579 1.00 94.70 11 A 1 ATOM 85 C CB . MET A 1 11 ? 0.137 2.558 1.317 1.00 93.58 11 A 1 ATOM 86 C CG . MET A 1 11 ? -0.115 4.003 1.727 1.00 86.97 11 A 1 ATOM 87 S SD . MET A 1 11 ? 1.189 5.095 1.161 1.00 78.97 11 A 1 ATOM 88 C CE . MET A 1 11 ? 0.718 6.633 1.963 1.00 70.57 11 A 1 ATOM 89 N N . ALA A 1 12 ? -0.213 -0.270 0.018 1.00 94.89 12 A 1 ATOM 90 C CA . ALA A 1 12 ? 0.187 -1.323 -0.908 1.00 95.50 12 A 1 ATOM 91 C C . ALA A 1 12 ? -0.980 -1.768 -1.804 1.00 96.25 12 A 1 ATOM 92 O O . ALA A 1 12 ? -0.791 -1.975 -3.000 1.00 95.21 12 A 1 ATOM 93 C CB . ALA A 1 12 ? 0.752 -2.493 -0.102 1.00 94.75 12 A 1 ATOM 94 N N . CYS A 1 13 ? -2.192 -1.846 -1.262 1.00 95.16 13 A 1 ATOM 95 C CA . CYS A 1 13 ? -3.395 -2.163 -2.024 1.00 95.27 13 A 1 ATOM 96 C C . CYS A 1 13 ? -3.703 -1.068 -3.058 1.00 95.76 13 A 1 ATOM 97 O O . CYS A 1 13 ? -3.999 -1.375 -4.209 1.00 94.42 13 A 1 ATOM 98 C CB . CYS A 1 13 ? -4.556 -2.364 -1.044 1.00 94.35 13 A 1 ATOM 99 S SG . CYS A 1 13 ? -5.972 -3.074 -1.915 1.00 87.78 13 A 1 ATOM 100 N N . SER A 1 14 ? -3.572 0.196 -2.688 1.00 94.46 14 A 1 ATOM 101 C CA . SER A 1 14 ? -3.768 1.329 -3.597 1.00 94.69 14 A 1 ATOM 102 C C . SER A 1 14 ? -2.744 1.327 -4.734 1.00 95.34 14 A 1 ATOM 103 O O . SER A 1 14 ? -3.106 1.563 -5.884 1.00 94.51 14 A 1 ATOM 104 C CB . SER A 1 14 ? -3.681 2.645 -2.828 1.00 93.41 14 A 1 ATOM 105 O OG . SER A 1 14 ? -4.658 2.696 -1.813 1.00 83.34 14 A 1 ATOM 106 N N . ILE A 1 15 ? -1.486 1.021 -4.432 1.00 95.95 15 A 1 ATOM 107 C CA . ILE A 1 15 ? -0.422 0.902 -5.433 1.00 95.91 15 A 1 ATOM 108 C C . ILE A 1 15 ? -0.712 -0.272 -6.371 1.00 96.43 15 A 1 ATOM 109 O O . ILE A 1 15 ? -0.628 -0.116 -7.588 1.00 95.50 15 A 1 ATOM 110 C CB . ILE A 1 15 ? 0.947 0.762 -4.743 1.00 95.37 15 A 1 ATOM 111 C CG1 . ILE A 1 15 ? 1.312 2.061 -3.992 1.00 92.62 15 A 1 ATOM 112 C CG2 . ILE A 1 15 ? 2.049 0.433 -5.768 1.00 91.15 15 A 1 ATOM 113 C CD1 . ILE A 1 15 ? 2.440 1.879 -2.979 1.00 87.03 15 A 1 ATOM 114 N N . GLY A 1 16 ? -1.096 -1.415 -5.831 1.00 95.92 16 A 1 ATOM 115 C CA . GLY A 1 16 ? -1.455 -2.583 -6.635 1.00 95.65 16 A 1 ATOM 116 C C . GLY A 1 16 ? -2.619 -2.297 -7.586 1.00 96.42 16 A 1 ATOM 117 O O . GLY A 1 16 ? -2.571 -2.672 -8.755 1.00 95.93 16 A 1 ATOM 118 N N . LEU A 1 17 ? -3.627 -1.570 -7.117 1.00 96.58 17 A 1 ATOM 119 C CA . LEU A 1 17 ? -4.769 -1.168 -7.937 1.00 96.41 17 A 1 ATOM 120 C C . LEU A 1 17 ? -4.357 -0.171 -9.027 1.00 97.04 17 A 1 ATOM 121 O O . LEU A 1 17 ? -4.808 -0.292 -10.166 1.00 96.55 17 A 1 ATOM 122 C CB . LEU A 1 17 ? -5.858 -0.615 -7.009 1.00 95.84 17 A 1 ATOM 123 C CG . LEU A 1 17 ? -7.237 -0.568 -7.687 1.00 89.85 17 A 1 ATOM 124 C CD1 . LEU A 1 17 ? -8.311 -1.079 -6.730 1.00 85.77 17 A 1 ATOM 125 C CD2 . LEU A 1 17 ? -7.603 0.844 -8.115 1.00 87.47 17 A 1 ATOM 126 N N . ALA A 1 18 ? -3.469 0.772 -8.719 1.00 96.69 18 A 1 ATOM 127 C CA . ALA A 1 18 ? -2.938 1.716 -9.699 1.00 96.67 18 A 1 ATOM 128 C C . ALA A 1 18 ? -2.125 1.006 -10.790 1.00 97.13 18 A 1 ATOM 129 O O . ALA A 1 18 ? -2.297 1.304 -11.970 1.00 96.27 18 A 1 ATOM 130 C CB . ALA A 1 18 ? -2.096 2.769 -8.974 1.00 95.84 18 A 1 ATOM 131 N N . ILE A 1 19 ? -1.287 0.041 -10.416 1.00 96.34 19 A 1 ATOM 132 C CA . ILE A 1 19 ? -0.522 -0.767 -11.373 1.00 96.17 19 A 1 ATOM 133 C C . ILE A 1 19 ? -1.474 -1.570 -12.259 1.00 96.25 19 A 1 ATOM 134 O O . ILE A 1 19 ? -1.327 -1.560 -13.480 1.00 95.62 19 A 1 ATOM 135 C CB . ILE A 1 19 ? 0.478 -1.677 -10.635 1.00 95.79 19 A 1 ATOM 136 C CG1 . ILE A 1 19 ? 1.579 -0.829 -9.964 1.00 93.60 19 A 1 ATOM 137 C CG2 . ILE A 1 19 ? 1.126 -2.686 -11.602 1.00 92.34 19 A 1 ATOM 138 C CD1 . ILE A 1 19 ? 2.394 -1.599 -8.927 1.00 88.47 19 A 1 ATOM 139 N N . ASN A 1 20 ? -2.477 -2.205 -11.666 1.00 95.65 20 A 1 ATOM 140 C CA . ASN A 1 20 ? -3.452 -2.990 -12.419 1.00 95.25 20 A 1 ATOM 141 C C . ASN A 1 20 ? -4.278 -2.120 -13.375 1.00 95.14 20 A 1 ATOM 142 O O . ASN A 1 20 ? -4.613 -2.557 -14.469 1.00 94.68 20 A 1 ATOM 143 C CB . ASN A 1 20 ? -4.349 -3.732 -11.421 1.00 93.93 20 A 1 ATOM 144 C CG . ASN A 1 20 ? -5.167 -4.817 -12.090 1.00 88.73 20 A 1 ATOM 145 O OD1 . ASN A 1 20 ? -4.874 -5.307 -13.163 1.00 81.60 20 A 1 ATOM 146 N ND2 . ASN A 1 20 ? -6.223 -5.267 -11.453 1.00 81.32 20 A 1 ATOM 147 N N . ALA A 1 21 ? -4.584 -0.883 -13.000 1.00 95.76 21 A 1 ATOM 148 C CA . ALA A 1 21 ? -5.287 0.062 -13.867 1.00 95.55 21 A 1 ATOM 149 C C . ALA A 1 21 ? -4.409 0.586 -15.016 1.00 95.95 21 A 1 ATOM 150 O O . ALA A 1 21 ? -4.941 1.042 -16.027 1.00 94.88 21 A 1 ATOM 151 C CB . ALA A 1 21 ? -5.810 1.215 -13.007 1.00 94.71 21 A 1 ATOM 152 N N . THR A 1 22 ? -3.086 0.538 -14.864 1.00 94.57 22 A 1 ATOM 153 C CA . THR A 1 22 ? -2.123 0.992 -15.881 1.00 94.04 22 A 1 ATOM 154 C C . THR A 1 22 ? -1.659 -0.149 -16.792 1.00 93.90 22 A 1 ATOM 155 O O . THR A 1 22 ? -1.108 0.111 -17.857 1.00 91.94 22 A 1 ATOM 156 C CB . THR A 1 22 ? -0.915 1.660 -15.207 1.00 92.91 22 A 1 ATOM 157 O OG1 . THR A 1 22 ? -1.333 2.587 -14.222 1.00 86.27 22 A 1 ATOM 158 C CG2 . THR A 1 22 ? -0.052 2.456 -16.179 1.00 83.86 22 A 1 ATOM 159 N N . ALA A 1 23 ? -1.857 -1.389 -16.378 1.00 92.06 23 A 1 ATOM 160 C CA . ALA A 1 23 ? -1.477 -2.573 -17.137 1.00 90.28 23 A 1 ATOM 161 C C . ALA A 1 23 ? -2.486 -2.909 -18.244 1.00 87.71 23 A 1 ATOM 162 O O . ALA A 1 23 ? -3.680 -2.576 -18.103 1.00 84.60 23 A 1 ATOM 163 C CB . ALA A 1 23 ? -1.267 -3.741 -16.174 1.00 86.33 23 A 1 ATOM 164 O OXT . ALA A 1 23 ? -2.060 -3.532 -19.236 1.00 77.01 23 A 1 #