# 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_spkb30738 # _entry.id spkb30738 # 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 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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" "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 ALA 2 1 n ARG 3 1 n LEU 4 1 n SER 5 1 n THR 6 1 n GLY 7 1 n LYS 8 1 n ALA 9 1 n ALA 10 1 n CYS 11 1 n GLN 12 1 n VAL 13 1 n VAL 14 1 n LEU 15 1 n GLY 16 1 n LEU 17 1 n LEU 18 1 n ILE 19 1 n THR 20 1 n SER 21 1 n LEU 22 1 n THR 23 1 n GLU 24 1 n SER 25 # _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 @ 2025-07-13 04:09:47)" _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 89.03 _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 73.90 1 1 A ALA 2 2 84.26 1 2 A ARG 3 2 74.07 1 3 A LEU 4 2 80.11 1 4 A SER 5 2 86.35 1 5 A THR 6 2 89.63 1 6 A GLY 7 2 94.37 1 7 A LYS 8 2 87.32 1 8 A ALA 9 2 95.82 1 9 A ALA 10 2 96.09 1 10 A CYS 11 2 94.23 1 11 A GLN 12 2 88.77 1 12 A VAL 13 2 95.53 1 13 A VAL 14 2 96.03 1 14 A LEU 15 2 93.34 1 15 A GLY 16 2 97.23 1 16 A LEU 17 2 93.86 1 17 A LEU 18 2 93.27 1 18 A ILE 19 2 94.93 1 19 A THR 20 2 93.22 1 20 A SER 21 2 94.08 1 21 A LEU 22 2 93.01 1 22 A THR 23 2 92.72 1 23 A GLU 24 2 82.36 1 24 A SER 25 2 81.90 1 25 # _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 ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n GLN . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n THR . 23 A 23 A 24 1 n GLU . 24 A 24 A 25 1 n SER . 25 A 25 # _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 ? -18.578 4.888 -5.727 1.00 78.92 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.759 3.660 -5.819 1.00 83.28 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.243 3.893 -5.701 1.00 84.23 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.517 2.932 -5.542 1.00 79.14 1 A 1 ATOM 5 C CB . MET A 1 1 ? -18.097 2.889 -7.105 1.00 76.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? -19.369 2.045 -6.922 1.00 68.99 1 A 1 ATOM 7 S SD . MET A 1 1 ? -19.898 1.247 -8.452 1.00 64.09 1 A 1 ATOM 8 C CE . MET A 1 1 ? -21.126 0.089 -7.813 1.00 56.58 1 A 1 ATOM 9 N N . ALA A 1 2 ? -15.758 5.117 -5.723 1.00 84.20 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -14.315 5.389 -5.733 1.00 85.68 2 A 1 ATOM 11 C C . ALA A 1 2 ? -13.616 5.218 -4.370 1.00 86.81 2 A 1 ATOM 12 O O . ALA A 1 2 ? -12.511 4.693 -4.315 1.00 82.91 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -14.109 6.792 -6.303 1.00 81.72 2 A 1 ATOM 14 N N . ARG A 1 3 ? -14.254 5.623 -3.236 1.00 84.40 3 A 1 ATOM 15 C CA . ARG A 1 3 ? -13.590 5.684 -1.917 1.00 86.75 3 A 1 ATOM 16 C C . ARG A 1 3 ? -13.126 4.326 -1.390 1.00 87.99 3 A 1 ATOM 17 O O . ARG A 1 3 ? -12.039 4.241 -0.827 1.00 83.99 3 A 1 ATOM 18 C CB . ARG A 1 3 ? -14.505 6.374 -0.882 1.00 83.80 3 A 1 ATOM 19 C CG . ARG A 1 3 ? -14.605 7.882 -1.128 1.00 74.32 3 A 1 ATOM 20 C CD . ARG A 1 3 ? -15.596 8.554 -0.157 1.00 73.29 3 A 1 ATOM 21 N NE . ARG A 1 3 ? -15.089 8.599 1.227 1.00 65.80 3 A 1 ATOM 22 C CZ . ARG A 1 3 ? -15.750 9.079 2.282 1.00 62.32 3 A 1 ATOM 23 N NH1 . ARG A 1 3 ? -16.968 9.539 2.183 1.00 56.04 3 A 1 ATOM 24 N NH2 . ARG A 1 3 ? -15.191 9.095 3.461 1.00 56.06 3 A 1 ATOM 25 N N . LEU A 1 4 ? -13.916 3.256 -1.582 1.00 86.18 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -13.555 1.902 -1.144 1.00 86.58 4 A 1 ATOM 27 C C . LEU A 1 4 ? -12.446 1.305 -2.009 1.00 89.53 4 A 1 ATOM 28 O O . LEU A 1 4 ? -11.510 0.706 -1.483 1.00 86.20 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -14.816 1.021 -1.159 1.00 83.78 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -15.586 1.086 0.168 1.00 72.67 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -17.076 0.839 -0.060 1.00 67.47 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -15.064 0.027 1.135 1.00 68.48 4 A 1 ATOM 33 N N . SER A 1 5 ? -12.508 1.509 -3.321 1.00 89.13 5 A 1 ATOM 34 C CA . SER A 1 5 ? -11.482 1.039 -4.255 1.00 89.99 5 A 1 ATOM 35 C C . SER A 1 5 ? -10.160 1.772 -4.048 1.00 90.85 5 A 1 ATOM 36 O O . SER A 1 5 ? -9.115 1.133 -4.013 1.00 88.71 5 A 1 ATOM 37 C CB . SER A 1 5 ? -11.963 1.208 -5.695 1.00 86.92 5 A 1 ATOM 38 O OG . SER A 1 5 ? -13.181 0.504 -5.878 1.00 72.48 5 A 1 ATOM 39 N N . THR A 1 6 ? -10.190 3.089 -3.823 1.00 93.77 6 A 1 ATOM 40 C CA . THR A 1 6 ? -8.993 3.894 -3.538 1.00 94.32 6 A 1 ATOM 41 C C . THR A 1 6 ? -8.364 3.509 -2.201 1.00 94.85 6 A 1 ATOM 42 O O . THR A 1 6 ? -7.150 3.387 -2.122 1.00 93.20 6 A 1 ATOM 43 C CB . THR A 1 6 ? -9.326 5.390 -3.539 1.00 92.35 6 A 1 ATOM 44 O OG1 . THR A 1 6 ? -9.996 5.735 -4.732 1.00 80.98 6 A 1 ATOM 45 C CG2 . THR A 1 6 ? -8.086 6.272 -3.459 1.00 77.93 6 A 1 ATOM 46 N N . GLY A 1 7 ? -9.166 3.261 -1.159 1.00 93.83 7 A 1 ATOM 47 C CA . GLY A 1 7 ? -8.660 2.804 0.136 1.00 93.98 7 A 1 ATOM 48 C C . GLY A 1 7 ? -7.968 1.445 0.039 1.00 95.29 7 A 1 ATOM 49 O O . GLY A 1 7 ? -6.849 1.287 0.522 1.00 94.36 7 A 1 ATOM 50 N N . LYS A 1 8 ? -8.589 0.480 -0.651 1.00 94.59 8 A 1 ATOM 51 C CA . LYS A 1 8 ? -7.994 -0.844 -0.872 1.00 95.16 8 A 1 ATOM 52 C C . LYS A 1 8 ? -6.718 -0.765 -1.710 1.00 95.71 8 A 1 ATOM 53 O O . LYS A 1 8 ? -5.728 -1.402 -1.356 1.00 95.47 8 A 1 ATOM 54 C CB . LYS A 1 8 ? -9.041 -1.774 -1.496 1.00 94.60 8 A 1 ATOM 55 C CG . LYS A 1 8 ? -8.539 -3.221 -1.550 1.00 87.01 8 A 1 ATOM 56 C CD . LYS A 1 8 ? -9.649 -4.171 -2.008 1.00 82.07 8 A 1 ATOM 57 C CE . LYS A 1 8 ? -9.119 -5.608 -2.009 1.00 74.61 8 A 1 ATOM 58 N NZ . LYS A 1 8 ? -10.180 -6.592 -2.341 1.00 66.62 8 A 1 ATOM 59 N N . ALA A 1 9 ? -6.714 0.039 -2.767 1.00 95.51 9 A 1 ATOM 60 C CA . ALA A 1 9 ? -5.537 0.265 -3.596 1.00 95.93 9 A 1 ATOM 61 C C . ALA A 1 9 ? -4.410 0.932 -2.797 1.00 96.91 9 A 1 ATOM 62 O O . ALA A 1 9 ? -3.272 0.480 -2.865 1.00 96.15 9 A 1 ATOM 63 C CB . ALA A 1 9 ? -5.936 1.104 -4.815 1.00 94.62 9 A 1 ATOM 64 N N . ALA A 1 10 ? -4.717 1.939 -1.973 1.00 95.72 10 A 1 ATOM 65 C CA . ALA A 1 10 ? -3.741 2.589 -1.108 1.00 96.19 10 A 1 ATOM 66 C C . ALA A 1 10 ? -3.137 1.607 -0.093 1.00 97.02 10 A 1 ATOM 67 O O . ALA A 1 10 ? -1.920 1.564 0.052 1.00 96.45 10 A 1 ATOM 68 C CB . ALA A 1 10 ? -4.403 3.782 -0.412 1.00 95.06 10 A 1 ATOM 69 N N . CYS A 1 11 ? -3.956 0.756 0.549 1.00 96.18 11 A 1 ATOM 70 C CA . CYS A 1 11 ? -3.455 -0.287 1.443 1.00 96.68 11 A 1 ATOM 71 C C . CYS A 1 11 ? -2.536 -1.276 0.720 1.00 97.20 11 A 1 ATOM 72 O O . CYS A 1 11 ? -1.504 -1.646 1.261 1.00 96.50 11 A 1 ATOM 73 C CB . CYS A 1 11 ? -4.627 -1.037 2.078 1.00 95.43 11 A 1 ATOM 74 S SG . CYS A 1 11 ? -5.479 0.006 3.291 1.00 83.42 11 A 1 ATOM 75 N N . GLN A 1 12 ? -2.883 -1.680 -0.503 1.00 96.26 12 A 1 ATOM 76 C CA . GLN A 1 12 ? -2.042 -2.577 -1.301 1.00 96.60 12 A 1 ATOM 77 C C . GLN A 1 12 ? -0.713 -1.925 -1.688 1.00 97.38 12 A 1 ATOM 78 O O . GLN A 1 12 ? 0.321 -2.585 -1.613 1.00 96.60 12 A 1 ATOM 79 C CB . GLN A 1 12 ? -2.790 -3.025 -2.560 1.00 95.57 12 A 1 ATOM 80 C CG . GLN A 1 12 ? -3.888 -4.039 -2.228 1.00 86.47 12 A 1 ATOM 81 C CD . GLN A 1 12 ? -4.625 -4.499 -3.483 1.00 81.70 12 A 1 ATOM 82 O OE1 . GLN A 1 12 ? -5.144 -3.734 -4.279 1.00 75.48 12 A 1 ATOM 83 N NE2 . GLN A 1 12 ? -4.704 -5.793 -3.716 1.00 72.85 12 A 1 ATOM 84 N N . VAL A 1 13 ? -0.721 -0.641 -2.048 1.00 96.82 13 A 1 ATOM 85 C CA . VAL A 1 13 ? 0.505 0.109 -2.357 1.00 97.11 13 A 1 ATOM 86 C C . VAL A 1 13 ? 1.391 0.231 -1.119 1.00 97.66 13 A 1 ATOM 87 O O . VAL A 1 13 ? 2.582 -0.048 -1.199 1.00 97.16 13 A 1 ATOM 88 C CB . VAL A 1 13 ? 0.173 1.490 -2.943 1.00 96.26 13 A 1 ATOM 89 C CG1 . VAL A 1 13 ? 1.410 2.381 -3.093 1.00 91.74 13 A 1 ATOM 90 C CG2 . VAL A 1 13 ? -0.455 1.347 -4.336 1.00 91.95 13 A 1 ATOM 91 N N . VAL A 1 14 ? 0.816 0.589 0.033 1.00 97.43 14 A 1 ATOM 92 C CA . VAL A 1 14 ? 1.562 0.702 1.294 1.00 97.30 14 A 1 ATOM 93 C C . VAL A 1 14 ? 2.137 -0.652 1.716 1.00 97.57 14 A 1 ATOM 94 O O . VAL A 1 14 ? 3.311 -0.729 2.063 1.00 96.98 14 A 1 ATOM 95 C CB . VAL A 1 14 ? 0.677 1.300 2.401 1.00 96.52 14 A 1 ATOM 96 C CG1 . VAL A 1 14 ? 1.347 1.266 3.777 1.00 93.02 14 A 1 ATOM 97 C CG2 . VAL A 1 14 ? 0.351 2.765 2.089 1.00 93.41 14 A 1 ATOM 98 N N . LEU A 1 15 ? 1.346 -1.723 1.644 1.00 97.48 15 A 1 ATOM 99 C CA . LEU A 1 15 ? 1.826 -3.073 1.941 1.00 97.17 15 A 1 ATOM 100 C C . LEU A 1 15 ? 2.932 -3.503 0.977 1.00 97.35 15 A 1 ATOM 101 O O . LEU A 1 15 ? 3.945 -4.032 1.425 1.00 96.91 15 A 1 ATOM 102 C CB . LEU A 1 15 ? 0.653 -4.065 1.879 1.00 96.50 15 A 1 ATOM 103 C CG . LEU A 1 15 ? -0.264 -4.016 3.113 1.00 89.95 15 A 1 ATOM 104 C CD1 . LEU A 1 15 ? -1.539 -4.810 2.830 1.00 85.43 15 A 1 ATOM 105 C CD2 . LEU A 1 15 ? 0.414 -4.622 4.342 1.00 85.94 15 A 1 ATOM 106 N N . GLY A 1 16 ? 2.766 -3.249 -0.317 1.00 97.37 16 A 1 ATOM 107 C CA . GLY A 1 16 ? 3.793 -3.537 -1.320 1.00 97.19 16 A 1 ATOM 108 C C . GLY A 1 16 ? 5.091 -2.786 -1.040 1.00 97.53 16 A 1 ATOM 109 O O . GLY A 1 16 ? 6.161 -3.393 -1.053 1.00 96.81 16 A 1 ATOM 110 N N . LEU A 1 17 ? 4.996 -1.495 -0.695 1.00 97.41 17 A 1 ATOM 111 C CA . LEU A 1 17 ? 6.153 -0.672 -0.346 1.00 97.03 17 A 1 ATOM 112 C C . LEU A 1 17 ? 6.847 -1.176 0.925 1.00 97.16 17 A 1 ATOM 113 O O . LEU A 1 17 ? 8.071 -1.277 0.954 1.00 96.08 17 A 1 ATOM 114 C CB . LEU A 1 17 ? 5.687 0.784 -0.190 1.00 96.53 17 A 1 ATOM 115 C CG . LEU A 1 17 ? 6.839 1.777 0.033 1.00 91.31 17 A 1 ATOM 116 C CD1 . LEU A 1 17 ? 7.706 1.920 -1.220 1.00 87.36 17 A 1 ATOM 117 C CD2 . LEU A 1 17 ? 6.270 3.151 0.383 1.00 87.99 17 A 1 ATOM 118 N N . LEU A 1 18 ? 6.075 -1.533 1.962 1.00 97.39 18 A 1 ATOM 119 C CA . LEU A 1 18 ? 6.618 -2.090 3.201 1.00 96.99 18 A 1 ATOM 120 C C . LEU A 1 18 ? 7.333 -3.419 2.957 1.00 97.01 18 A 1 ATOM 121 O O . LEU A 1 18 ? 8.450 -3.602 3.438 1.00 96.16 18 A 1 ATOM 122 C CB . LEU A 1 18 ? 5.489 -2.282 4.223 1.00 96.45 18 A 1 ATOM 123 C CG . LEU A 1 18 ? 4.999 -0.979 4.874 1.00 90.24 18 A 1 ATOM 124 C CD1 . LEU A 1 18 ? 3.728 -1.259 5.678 1.00 85.82 18 A 1 ATOM 125 C CD2 . LEU A 1 18 ? 6.046 -0.392 5.824 1.00 86.06 18 A 1 ATOM 126 N N . ILE A 1 19 ? 6.721 -4.327 2.188 1.00 97.23 19 A 1 ATOM 127 C CA . ILE A 1 19 ? 7.333 -5.613 1.841 1.00 96.79 19 A 1 ATOM 128 C C . ILE A 1 19 ? 8.620 -5.387 1.051 1.00 96.75 19 A 1 ATOM 129 O O . ILE A 1 19 ? 9.645 -5.975 1.391 1.00 95.91 19 A 1 ATOM 130 C CB . ILE A 1 19 ? 6.332 -6.498 1.079 1.00 96.33 19 A 1 ATOM 131 C CG1 . ILE A 1 19 ? 5.186 -6.946 2.016 1.00 94.42 19 A 1 ATOM 132 C CG2 . ILE A 1 19 ? 7.027 -7.748 0.489 1.00 93.47 19 A 1 ATOM 133 C CD1 . ILE A 1 19 ? 3.960 -7.478 1.267 1.00 88.54 19 A 1 ATOM 134 N N . THR A 1 20 ? 8.591 -4.515 0.044 1.00 97.03 20 A 1 ATOM 135 C CA . THR A 1 20 ? 9.781 -4.192 -0.753 1.00 96.31 20 A 1 ATOM 136 C C . THR A 1 20 ? 10.883 -3.608 0.128 1.00 96.42 20 A 1 ATOM 137 O O . THR A 1 20 ? 12.017 -4.071 0.067 1.00 95.30 20 A 1 ATOM 138 C CB . THR A 1 20 ? 9.435 -3.224 -1.888 1.00 95.20 20 A 1 ATOM 139 O OG1 . THR A 1 20 ? 8.408 -3.771 -2.690 1.00 86.99 20 A 1 ATOM 140 C CG2 . THR A 1 20 ? 10.620 -2.966 -2.820 1.00 85.31 20 A 1 ATOM 141 N N . SER A 1 21 ? 10.547 -2.667 1.016 1.00 96.65 21 A 1 ATOM 142 C CA . SER A 1 21 ? 11.519 -2.056 1.930 1.00 96.31 21 A 1 ATOM 143 C C . SER A 1 21 ? 12.114 -3.073 2.913 1.00 96.47 21 A 1 ATOM 144 O O . SER A 1 21 ? 13.292 -2.993 3.242 1.00 94.89 21 A 1 ATOM 145 C CB . SER A 1 21 ? 10.873 -0.919 2.724 1.00 95.40 21 A 1 ATOM 146 O OG . SER A 1 21 ? 10.327 0.071 1.866 1.00 84.75 21 A 1 ATOM 147 N N . LEU A 1 22 ? 11.311 -4.040 3.384 1.00 97.35 22 A 1 ATOM 148 C CA . LEU A 1 22 ? 11.775 -5.098 4.290 1.00 96.98 22 A 1 ATOM 149 C C . LEU A 1 22 ? 12.601 -6.169 3.574 1.00 97.09 22 A 1 ATOM 150 O O . LEU A 1 22 ? 13.448 -6.802 4.200 1.00 96.19 22 A 1 ATOM 151 C CB . LEU A 1 22 ? 10.561 -5.748 4.969 1.00 96.52 22 A 1 ATOM 152 C CG . LEU A 1 22 ? 9.881 -4.870 6.034 1.00 90.37 22 A 1 ATOM 153 C CD1 . LEU A 1 22 ? 8.551 -5.508 6.451 1.00 84.31 22 A 1 ATOM 154 C CD2 . LEU A 1 22 ? 10.747 -4.724 7.289 1.00 85.25 22 A 1 ATOM 155 N N . THR A 1 23 ? 12.340 -6.409 2.287 1.00 96.71 23 A 1 ATOM 156 C CA . THR A 1 23 ? 13.090 -7.400 1.498 1.00 96.39 23 A 1 ATOM 157 C C . THR A 1 23 ? 14.365 -6.833 0.884 1.00 95.72 23 A 1 ATOM 158 O O . THR A 1 23 ? 15.290 -7.599 0.615 1.00 93.91 23 A 1 ATOM 159 C CB . THR A 1 23 ? 12.226 -8.013 0.389 1.00 95.09 23 A 1 ATOM 160 O OG1 . THR A 1 23 ? 11.504 -7.045 -0.326 1.00 87.25 23 A 1 ATOM 161 C CG2 . THR A 1 23 ? 11.209 -9.004 0.952 1.00 83.95 23 A 1 ATOM 162 N N . GLU A 1 24 ? 14.420 -5.518 0.671 1.00 93.76 24 A 1 ATOM 163 C CA . GLU A 1 24 ? 15.601 -4.839 0.119 1.00 92.71 24 A 1 ATOM 164 C C . GLU A 1 24 ? 16.585 -4.382 1.216 1.00 90.85 24 A 1 ATOM 165 O O . GLU A 1 24 ? 17.757 -4.144 0.933 1.00 83.45 24 A 1 ATOM 166 C CB . GLU A 1 24 ? 15.124 -3.669 -0.755 1.00 89.95 24 A 1 ATOM 167 C CG . GLU A 1 24 ? 16.226 -3.118 -1.665 1.00 80.52 24 A 1 ATOM 168 C CD . GLU A 1 24 ? 15.679 -2.045 -2.612 1.00 75.26 24 A 1 ATOM 169 O OE1 . GLU A 1 24 ? 15.921 -0.850 -2.351 1.00 65.85 24 A 1 ATOM 170 O OE2 . GLU A 1 24 ? 15.010 -2.414 -3.600 1.00 68.90 24 A 1 ATOM 171 N N . SER A 1 25 ? 16.117 -4.284 2.471 1.00 92.28 25 A 1 ATOM 172 C CA . SER A 1 25 ? 16.931 -3.871 3.621 1.00 90.92 25 A 1 ATOM 173 C C . SER A 1 25 ? 17.395 -5.029 4.495 1.00 85.00 25 A 1 ATOM 174 O O . SER A 1 25 ? 16.700 -6.064 4.548 1.00 76.39 25 A 1 ATOM 175 C CB . SER A 1 25 ? 16.175 -2.835 4.453 1.00 85.14 25 A 1 ATOM 176 O OG . SER A 1 25 ? 17.073 -2.197 5.344 1.00 72.53 25 A 1 ATOM 177 O OXT . SER A 1 25 ? 18.441 -4.865 5.150 1.00 71.01 25 A 1 #