# 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_spkb44958 # _entry.id spkb44958 # 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" "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" "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 ALA 2 1 n HIS 3 1 n PHE 4 1 n MET 5 1 n LYS 6 1 n LEU 7 1 n LEU 8 1 n VAL 9 1 n THR 10 1 n ILE 11 1 n ALA 12 1 n LEU 13 1 n THR 14 1 n THR 15 1 n VAL 16 1 n VAL 17 1 n THR 18 1 n ILE 19 1 n ALA 20 # _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 @ 2025-07-03 09:57:30)" _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 95.22 _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 83.58 1 1 A ALA 2 2 95.89 1 2 A HIS 3 2 91.98 1 3 A PHE 4 2 94.35 1 4 A MET 5 2 93.30 1 5 A LYS 6 2 93.86 1 6 A LEU 7 2 96.44 1 7 A LEU 8 2 95.99 1 8 A VAL 9 2 97.99 1 9 A THR 10 2 97.29 1 10 A ILE 11 2 97.63 1 11 A ALA 12 2 98.49 1 12 A LEU 13 2 96.70 1 13 A THR 14 2 97.05 1 14 A THR 15 2 96.96 1 15 A VAL 16 2 97.76 1 16 A VAL 17 2 97.83 1 17 A THR 18 2 96.82 1 18 A ILE 19 2 95.69 1 19 A ALA 20 2 92.98 1 20 # _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 HIS . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -14.670 -3.708 9.931 1.00 90.33 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.201 -3.732 10.083 1.00 90.94 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.531 -2.624 9.273 1.00 91.62 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.948 -2.331 8.156 1.00 90.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.652 -5.073 9.605 1.00 85.89 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.910 -6.178 10.623 1.00 77.99 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.664 -6.218 11.904 1.00 75.02 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.174 -7.709 12.760 1.00 66.42 1 A 1 ATOM 9 N N . ALA A 1 2 ? -11.495 -2.025 9.843 1.00 94.00 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -10.757 -0.959 9.169 1.00 96.54 2 A 1 ATOM 11 C C . ALA A 1 2 ? -9.302 -1.369 8.940 1.00 97.43 2 A 1 ATOM 12 O O . ALA A 1 2 ? -8.451 -0.535 8.636 1.00 96.65 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -10.822 0.319 9.995 1.00 94.82 2 A 1 ATOM 14 N N . HIS A 1 3 ? -9.031 -2.658 9.096 1.00 97.68 3 A 1 ATOM 15 C CA . HIS A 1 3 ? -7.671 -3.172 8.941 1.00 97.92 3 A 1 ATOM 16 C C . HIS A 1 3 ? -7.330 -3.398 7.474 1.00 98.22 3 A 1 ATOM 17 O O . HIS A 1 3 ? -6.169 -3.333 7.077 1.00 97.77 3 A 1 ATOM 18 C CB . HIS A 1 3 ? -7.505 -4.479 9.721 1.00 97.15 3 A 1 ATOM 19 C CG . HIS A 1 3 ? -6.065 -4.841 9.933 1.00 94.01 3 A 1 ATOM 20 N ND1 . HIS A 1 3 ? -5.355 -5.637 9.077 1.00 84.63 3 A 1 ATOM 21 C CD2 . HIS A 1 3 ? -5.208 -4.495 10.919 1.00 82.38 3 A 1 ATOM 22 C CE1 . HIS A 1 3 ? -4.115 -5.768 9.531 1.00 85.04 3 A 1 ATOM 23 N NE2 . HIS A 1 3 ? -3.994 -5.084 10.653 1.00 85.00 3 A 1 ATOM 24 N N . PHE A 1 4 ? -8.363 -3.652 6.679 1.00 97.69 4 A 1 ATOM 25 C CA . PHE A 1 4 ? -8.161 -3.883 5.246 1.00 98.00 4 A 1 ATOM 26 C C . PHE A 1 4 ? -7.608 -2.637 4.570 1.00 98.31 4 A 1 ATOM 27 O O . PHE A 1 4 ? -6.730 -2.717 3.712 1.00 98.07 4 A 1 ATOM 28 C CB . PHE A 1 4 ? -9.480 -4.297 4.591 1.00 97.52 4 A 1 ATOM 29 C CG . PHE A 1 4 ? -9.755 -5.768 4.753 1.00 94.93 4 A 1 ATOM 30 C CD1 . PHE A 1 4 ? -10.257 -6.267 5.940 1.00 92.07 4 A 1 ATOM 31 C CD2 . PHE A 1 4 ? -9.496 -6.647 3.715 1.00 91.55 4 A 1 ATOM 32 C CE1 . PHE A 1 4 ? -10.496 -7.624 6.098 1.00 90.57 4 A 1 ATOM 33 C CE2 . PHE A 1 4 ? -9.735 -8.004 3.861 1.00 90.07 4 A 1 ATOM 34 C CZ . PHE A 1 4 ? -10.238 -8.493 5.054 1.00 89.12 4 A 1 ATOM 35 N N . MET A 1 5 ? -8.122 -1.475 4.953 1.00 97.86 5 A 1 ATOM 36 C CA . MET A 1 5 ? -7.656 -0.216 4.380 1.00 98.03 5 A 1 ATOM 37 C C . MET A 1 5 ? -6.199 0.037 4.747 1.00 98.28 5 A 1 ATOM 38 O O . MET A 1 5 ? -5.418 0.508 3.925 1.00 98.12 5 A 1 ATOM 39 C CB . MET A 1 5 ? -8.521 0.940 4.869 1.00 97.69 5 A 1 ATOM 40 C CG . MET A 1 5 ? -9.881 0.965 4.214 1.00 93.84 5 A 1 ATOM 41 S SD . MET A 1 5 ? -10.761 2.509 4.487 1.00 86.39 5 A 1 ATOM 42 C CE . MET A 1 5 ? -11.150 2.352 6.221 1.00 76.19 5 A 1 ATOM 43 N N . LYS A 1 6 ? -5.845 -0.287 5.983 1.00 98.34 6 A 1 ATOM 44 C CA . LYS A 1 6 ? -4.472 -0.090 6.447 1.00 98.44 6 A 1 ATOM 45 C C . LYS A 1 6 ? -3.507 -0.939 5.635 1.00 98.54 6 A 1 ATOM 46 O O . LYS A 1 6 ? -2.396 -0.509 5.323 1.00 98.40 6 A 1 ATOM 47 C CB . LYS A 1 6 ? -4.358 -0.434 7.932 1.00 98.23 6 A 1 ATOM 48 C CG . LYS A 1 6 ? -2.973 -0.130 8.488 1.00 94.59 6 A 1 ATOM 49 C CD . LYS A 1 6 ? -2.872 -0.473 9.966 1.00 91.04 6 A 1 ATOM 50 C CE . LYS A 1 6 ? -1.468 -0.190 10.493 1.00 86.58 6 A 1 ATOM 51 N NZ . LYS A 1 6 ? -1.357 -0.486 11.948 1.00 80.61 6 A 1 ATOM 52 N N . LEU A 1 7 ? -3.940 -2.136 5.294 1.00 98.31 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -3.109 -3.040 4.502 1.00 98.35 7 A 1 ATOM 54 C C . LEU A 1 7 ? -2.818 -2.446 3.128 1.00 98.51 7 A 1 ATOM 55 O O . LEU A 1 7 ? -1.671 -2.425 2.680 1.00 98.38 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -3.813 -4.390 4.346 1.00 98.21 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -2.964 -5.446 3.642 1.00 94.83 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -1.769 -5.833 4.507 1.00 92.17 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -3.802 -6.679 3.340 1.00 92.79 7 A 1 ATOM 60 N N . LEU A 1 8 ? -3.864 -1.956 2.476 1.00 98.36 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -3.714 -1.364 1.153 1.00 98.39 8 A 1 ATOM 62 C C . LEU A 1 8 ? -2.908 -0.077 1.218 1.00 98.48 8 A 1 ATOM 63 O O . LEU A 1 8 ? -2.067 0.185 0.355 1.00 98.39 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -5.093 -1.084 0.552 1.00 98.20 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -5.885 -2.344 0.208 1.00 93.17 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -7.307 -1.981 -0.186 1.00 91.32 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -5.206 -3.106 -0.923 1.00 91.62 8 A 1 ATOM 68 N N . VAL A 1 9 ? -3.159 0.721 2.239 1.00 98.60 9 A 1 ATOM 69 C CA . VAL A 1 9 ? -2.448 1.987 2.415 1.00 98.60 9 A 1 ATOM 70 C C . VAL A 1 9 ? -0.960 1.736 2.635 1.00 98.64 9 A 1 ATOM 71 O O . VAL A 1 9 ? -0.110 2.438 2.083 1.00 98.50 9 A 1 ATOM 72 C CB . VAL A 1 9 ? -3.026 2.783 3.594 1.00 98.37 9 A 1 ATOM 73 C CG1 . VAL A 1 9 ? -2.173 4.009 3.892 1.00 96.72 9 A 1 ATOM 74 C CG2 . VAL A 1 9 ? -4.452 3.212 3.287 1.00 96.53 9 A 1 ATOM 75 N N . THR A 1 10 ? -0.654 0.740 3.434 1.00 98.56 10 A 1 ATOM 76 C CA . THR A 1 10 ? 0.736 0.405 3.727 1.00 98.51 10 A 1 ATOM 77 C C . THR A 1 10 ? 1.451 -0.067 2.466 1.00 98.60 10 A 1 ATOM 78 O O . THR A 1 10 ? 2.583 0.335 2.189 1.00 98.41 10 A 1 ATOM 79 C CB . THR A 1 10 ? 0.818 -0.695 4.791 1.00 98.20 10 A 1 ATOM 80 O OG1 . THR A 1 10 ? 0.153 -0.268 5.981 1.00 94.95 10 A 1 ATOM 81 C CG2 . THR A 1 10 ? 2.268 -1.009 5.126 1.00 93.80 10 A 1 ATOM 82 N N . ILE A 1 11 ? 0.793 -0.920 1.705 1.00 98.65 11 A 1 ATOM 83 C CA . ILE A 1 11 ? 1.367 -1.437 0.466 1.00 98.54 11 A 1 ATOM 84 C C . ILE A 1 11 ? 1.556 -0.312 -0.542 1.00 98.58 11 A 1 ATOM 85 O O . ILE A 1 11 ? 2.585 -0.235 -1.219 1.00 98.41 11 A 1 ATOM 86 C CB . ILE A 1 11 ? 0.467 -2.531 -0.138 1.00 98.36 11 A 1 ATOM 87 C CG1 . ILE A 1 11 ? 0.415 -3.744 0.800 1.00 97.03 11 A 1 ATOM 88 C CG2 . ILE A 1 11 ? 1.001 -2.958 -1.507 1.00 96.55 11 A 1 ATOM 89 C CD1 . ILE A 1 11 ? -0.650 -4.748 0.417 1.00 94.93 11 A 1 ATOM 90 N N . ALA A 1 12 ? 0.550 0.544 -0.653 1.00 98.61 12 A 1 ATOM 91 C CA . ALA A 1 12 ? 0.615 1.657 -1.590 1.00 98.57 12 A 1 ATOM 92 C C . ALA A 1 12 ? 1.741 2.614 -1.216 1.00 98.59 12 A 1 ATOM 93 O O . ALA A 1 12 ? 2.470 3.098 -2.082 1.00 98.27 12 A 1 ATOM 94 C CB . ALA A 1 12 ? -0.715 2.399 -1.615 1.00 98.41 12 A 1 ATOM 95 N N . LEU A 1 13 ? 1.883 2.872 0.072 1.00 98.69 13 A 1 ATOM 96 C CA . LEU A 1 13 ? 2.915 3.781 0.557 1.00 98.62 13 A 1 ATOM 97 C C . LEU A 1 13 ? 4.300 3.220 0.287 1.00 98.65 13 A 1 ATOM 98 O O . LEU A 1 13 ? 5.175 3.920 -0.227 1.00 98.37 13 A 1 ATOM 99 C CB . LEU A 1 13 ? 2.735 4.027 2.053 1.00 98.38 13 A 1 ATOM 100 C CG . LEU A 1 13 ? 3.712 5.049 2.636 1.00 94.56 13 A 1 ATOM 101 C CD1 . LEU A 1 13 ? 3.442 6.430 2.066 1.00 93.07 13 A 1 ATOM 102 C CD2 . LEU A 1 13 ? 3.604 5.079 4.154 1.00 93.27 13 A 1 ATOM 103 N N . THR A 1 14 ? 4.506 1.963 0.623 1.00 98.64 14 A 1 ATOM 104 C CA . THR A 1 14 ? 5.803 1.327 0.423 1.00 98.56 14 A 1 ATOM 105 C C . THR A 1 14 ? 6.128 1.205 -1.060 1.00 98.64 14 A 1 ATOM 106 O O . THR A 1 14 ? 7.290 1.284 -1.457 1.00 98.20 14 A 1 ATOM 107 C CB . THR A 1 14 ? 5.837 -0.062 1.081 1.00 98.10 14 A 1 ATOM 108 O OG1 . THR A 1 14 ? 7.175 -0.566 1.043 1.00 93.74 14 A 1 ATOM 109 C CG2 . THR A 1 14 ? 4.929 -1.040 0.375 1.00 93.50 14 A 1 ATOM 110 N N . THR A 1 15 ? 5.099 1.027 -1.879 1.00 98.62 15 A 1 ATOM 111 C CA . THR A 1 15 ? 5.288 0.917 -3.323 1.00 98.54 15 A 1 ATOM 112 C C . THR A 1 15 ? 5.811 2.231 -3.888 1.00 98.63 15 A 1 ATOM 113 O O . THR A 1 15 ? 6.739 2.245 -4.698 1.00 98.22 15 A 1 ATOM 114 C CB . THR A 1 15 ? 3.973 0.554 -4.018 1.00 98.12 15 A 1 ATOM 115 O OG1 . THR A 1 15 ? 3.495 -0.694 -3.520 1.00 93.59 15 A 1 ATOM 116 C CG2 . THR A 1 15 ? 4.176 0.431 -5.524 1.00 93.01 15 A 1 ATOM 117 N N . VAL A 1 16 ? 5.210 3.334 -3.468 1.00 98.64 16 A 1 ATOM 118 C CA . VAL A 1 16 ? 5.620 4.653 -3.940 1.00 98.57 16 A 1 ATOM 119 C C . VAL A 1 16 ? 7.032 4.976 -3.469 1.00 98.59 16 A 1 ATOM 120 O O . VAL A 1 16 ? 7.844 5.511 -4.227 1.00 98.14 16 A 1 ATOM 121 C CB . VAL A 1 16 ? 4.648 5.738 -3.458 1.00 98.17 16 A 1 ATOM 122 C CG1 . VAL A 1 16 ? 5.139 7.120 -3.866 1.00 95.97 16 A 1 ATOM 123 C CG2 . VAL A 1 16 ? 3.260 5.485 -4.021 1.00 96.27 16 A 1 ATOM 124 N N . VAL A 1 17 ? 7.324 4.662 -2.221 1.00 98.71 17 A 1 ATOM 125 C CA . VAL A 1 17 ? 8.639 4.933 -1.650 1.00 98.66 17 A 1 ATOM 126 C C . VAL A 1 17 ? 9.709 4.064 -2.300 1.00 98.69 17 A 1 ATOM 127 O O . VAL A 1 17 ? 10.833 4.516 -2.536 1.00 98.34 17 A 1 ATOM 128 C CB . VAL A 1 17 ? 8.636 4.698 -0.134 1.00 98.29 17 A 1 ATOM 129 C CG1 . VAL A 1 17 ? 10.030 4.903 0.446 1.00 95.94 17 A 1 ATOM 130 C CG2 . VAL A 1 17 ? 7.653 5.635 0.540 1.00 96.21 17 A 1 ATOM 131 N N . THR A 1 18 ? 9.364 2.828 -2.592 1.00 98.63 18 A 1 ATOM 132 C CA . THR A 1 18 ? 10.308 1.897 -3.204 1.00 98.55 18 A 1 ATOM 133 C C . THR A 1 18 ? 10.585 2.258 -4.657 1.00 98.59 18 A 1 ATOM 134 O O . THR A 1 18 ? 11.735 2.277 -5.095 1.00 98.04 18 A 1 ATOM 135 C CB . THR A 1 18 ? 9.771 0.465 -3.142 1.00 97.99 18 A 1 ATOM 136 O OG1 . THR A 1 18 ? 9.525 0.105 -1.784 1.00 93.48 18 A 1 ATOM 137 C CG2 . THR A 1 18 ? 10.779 -0.505 -3.730 1.00 92.44 18 A 1 ATOM 138 N N . ILE A 1 19 ? 9.526 2.521 -5.411 1.00 98.34 19 A 1 ATOM 139 C CA . ILE A 1 19 ? 9.661 2.862 -6.821 1.00 98.15 19 A 1 ATOM 140 C C . ILE A 1 19 ? 10.211 4.272 -6.994 1.00 98.21 19 A 1 ATOM 141 O O . ILE A 1 19 ? 11.140 4.494 -7.778 1.00 97.63 19 A 1 ATOM 142 C CB . ILE A 1 19 ? 8.308 2.737 -7.550 1.00 97.48 19 A 1 ATOM 143 C CG1 . ILE A 1 19 ? 7.823 1.289 -7.506 1.00 94.11 19 A 1 ATOM 144 C CG2 . ILE A 1 19 ? 8.443 3.203 -8.993 1.00 92.78 19 A 1 ATOM 145 C CD1 . ILE A 1 19 ? 6.416 1.114 -8.051 1.00 88.82 19 A 1 ATOM 146 N N . ALA A 1 20 ? 9.610 5.207 -6.279 1.00 97.08 20 A 1 ATOM 147 C CA . ALA A 1 20 ? 10.020 6.604 -6.372 1.00 96.02 20 A 1 ATOM 148 C C . ALA A 1 20 ? 11.252 6.839 -5.503 1.00 94.62 20 A 1 ATOM 149 O O . ALA A 1 20 ? 12.366 6.503 -5.935 1.00 91.20 20 A 1 ATOM 150 C CB . ALA A 1 20 ? 8.878 7.524 -5.955 1.00 93.58 20 A 1 ATOM 151 O OXT . ALA A 1 20 ? 11.103 7.328 -4.392 1.00 85.35 20 A 1 #