# 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_spkb40843 # _entry.id spkb40843 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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 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" "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 MET 2 1 n LYS 3 1 n PRO 4 1 n HIS 5 1 n ASN 6 1 n LEU 7 1 n PHE 8 1 n GLN 9 1 n PHE 10 1 n LEU 11 1 n ALA 12 1 n VAL 13 1 n CYS 14 1 n SER 15 1 n LEU 16 1 n THR 17 1 n VAL 18 1 n ALA 19 1 n VAL 20 1 n ALA 21 1 n SER 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 @ 2025-07-04 20:34:04)" _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 90.30 _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 79.61 1 1 A MET 2 2 77.36 1 2 A LYS 3 2 79.38 1 3 A PRO 4 2 91.16 1 4 A HIS 5 2 83.50 1 5 A ASN 6 2 87.50 1 6 A LEU 7 2 90.56 1 7 A PHE 8 2 91.17 1 8 A GLN 9 2 89.64 1 9 A PHE 10 2 91.67 1 10 A LEU 11 2 91.98 1 11 A ALA 12 2 96.48 1 12 A VAL 13 2 94.60 1 13 A CYS 14 2 95.47 1 14 A SER 15 2 94.98 1 15 A LEU 16 2 94.51 1 16 A THR 17 2 95.28 1 17 A VAL 18 2 95.76 1 18 A ALA 19 2 97.61 1 19 A VAL 20 2 95.21 1 20 A ALA 21 2 96.74 1 21 A SER 22 2 92.95 1 22 A ALA 23 2 88.91 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 MET . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n HIS . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n GLN . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n SER . 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 ? -0.065 -17.241 1.301 1.00 87.14 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.637 -16.724 2.564 1.00 87.73 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.180 -15.278 2.725 1.00 87.66 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.944 -15.045 3.150 1.00 82.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.203 -17.632 3.727 1.00 82.48 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.063 -17.468 4.980 1.00 75.98 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.664 -18.737 6.211 1.00 70.73 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.866 -18.373 7.490 1.00 62.74 1 A 1 ATOM 9 N N . MET A 1 2 ? -0.976 -14.307 2.302 1.00 86.04 2 A 1 ATOM 10 C CA . MET A 1 2 ? -0.657 -12.891 2.502 1.00 85.24 2 A 1 ATOM 11 C C . MET A 1 2 ? -0.850 -12.549 3.976 1.00 86.60 2 A 1 ATOM 12 O O . MET A 1 2 ? -1.932 -12.748 4.527 1.00 82.53 2 A 1 ATOM 13 C CB . MET A 1 2 ? -1.506 -11.989 1.610 1.00 79.32 2 A 1 ATOM 14 C CG . MET A 1 2 ? -0.821 -11.706 0.278 1.00 72.64 2 A 1 ATOM 15 S SD . MET A 1 2 ? -1.755 -10.543 -0.741 1.00 65.59 2 A 1 ATOM 16 C CE . MET A 1 2 ? -0.630 -10.322 -2.114 1.00 60.90 2 A 1 ATOM 17 N N . LYS A 1 3 ? 0.204 -12.054 4.624 1.00 87.24 3 A 1 ATOM 18 C CA . LYS A 1 3 ? 0.088 -11.547 5.986 1.00 89.33 3 A 1 ATOM 19 C C . LYS A 1 3 ? -0.791 -10.286 5.986 1.00 90.22 3 A 1 ATOM 20 O O . LYS A 1 3 ? -0.723 -9.510 5.025 1.00 89.99 3 A 1 ATOM 21 C CB . LYS A 1 3 ? 1.477 -11.279 6.584 1.00 85.07 3 A 1 ATOM 22 C CG . LYS A 1 3 ? 2.118 -12.564 7.130 1.00 75.51 3 A 1 ATOM 23 C CD . LYS A 1 3 ? 3.439 -12.263 7.840 1.00 73.06 3 A 1 ATOM 24 C CE . LYS A 1 3 ? 3.989 -13.519 8.511 1.00 64.92 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? 5.246 -13.242 9.257 1.00 59.09 3 A 1 ATOM 26 N N . PRO A 1 4 ? -1.575 -10.037 7.050 1.00 91.58 4 A 1 ATOM 27 C CA . PRO A 1 4 ? -2.423 -8.840 7.158 1.00 93.74 4 A 1 ATOM 28 C C . PRO A 1 4 ? -1.624 -7.543 7.002 1.00 94.53 4 A 1 ATOM 29 O O . PRO A 1 4 ? -2.136 -6.561 6.469 1.00 91.89 4 A 1 ATOM 30 C CB . PRO A 1 4 ? -3.088 -8.949 8.538 1.00 90.32 4 A 1 ATOM 31 C CG . PRO A 1 4 ? -2.215 -9.916 9.317 1.00 86.67 4 A 1 ATOM 32 C CD . PRO A 1 4 ? -1.671 -10.845 8.247 1.00 89.38 4 A 1 ATOM 33 N N . HIS A 1 5 ? -0.339 -7.556 7.374 1.00 93.06 5 A 1 ATOM 34 C CA . HIS A 1 5 ? 0.568 -6.424 7.176 1.00 93.49 5 A 1 ATOM 35 C C . HIS A 1 5 ? 0.784 -6.094 5.691 1.00 94.31 5 A 1 ATOM 36 O O . HIS A 1 5 ? 0.925 -4.931 5.328 1.00 92.12 5 A 1 ATOM 37 C CB . HIS A 1 5 ? 1.899 -6.753 7.859 1.00 91.20 5 A 1 ATOM 38 C CG . HIS A 1 5 ? 2.742 -5.535 8.095 1.00 83.61 5 A 1 ATOM 39 N ND1 . HIS A 1 5 ? 4.044 -5.358 7.684 1.00 72.67 5 A 1 ATOM 40 C CD2 . HIS A 1 5 ? 2.371 -4.399 8.759 1.00 70.57 5 A 1 ATOM 41 C CE1 . HIS A 1 5 ? 4.444 -4.151 8.099 1.00 70.80 5 A 1 ATOM 42 N NE2 . HIS A 1 5 ? 3.454 -3.534 8.758 1.00 73.13 5 A 1 ATOM 43 N N . ASN A 1 6 ? 0.751 -7.099 4.809 1.00 91.32 6 A 1 ATOM 44 C CA . ASN A 1 6 ? 0.896 -6.899 3.366 1.00 92.73 6 A 1 ATOM 45 C C . ASN A 1 6 ? -0.365 -6.246 2.774 1.00 94.01 6 A 1 ATOM 46 O O . ASN A 1 6 ? -0.279 -5.422 1.873 1.00 93.33 6 A 1 ATOM 47 C CB . ASN A 1 6 ? 1.218 -8.259 2.731 1.00 90.94 6 A 1 ATOM 48 C CG . ASN A 1 6 ? 2.055 -8.120 1.473 1.00 84.38 6 A 1 ATOM 49 O OD1 . ASN A 1 6 ? 2.225 -7.070 0.897 1.00 76.90 6 A 1 ATOM 50 N ND2 . ASN A 1 6 ? 2.635 -9.206 1.014 1.00 76.42 6 A 1 ATOM 51 N N . LEU A 1 7 ? -1.531 -6.565 3.323 1.00 93.97 7 A 1 ATOM 52 C CA . LEU A 1 7 ? -2.791 -5.918 2.965 1.00 94.59 7 A 1 ATOM 53 C C . LEU A 1 7 ? -2.787 -4.441 3.370 1.00 95.24 7 A 1 ATOM 54 O O . LEU A 1 7 ? -3.241 -3.592 2.605 1.00 95.40 7 A 1 ATOM 55 C CB . LEU A 1 7 ? -3.936 -6.711 3.609 1.00 94.46 7 A 1 ATOM 56 C CG . LEU A 1 7 ? -5.306 -6.339 3.043 1.00 86.37 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? -6.152 -7.588 2.836 1.00 82.39 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? -6.062 -5.401 3.982 1.00 82.06 7 A 1 ATOM 59 N N . PHE A 1 8 ? -2.220 -4.116 4.535 1.00 95.18 8 A 1 ATOM 60 C CA . PHE A 1 8 ? -2.056 -2.735 4.988 1.00 95.17 8 A 1 ATOM 61 C C . PHE A 1 8 ? -1.127 -1.941 4.066 1.00 95.75 8 A 1 ATOM 62 O O . PHE A 1 8 ? -1.428 -0.802 3.720 1.00 95.66 8 A 1 ATOM 63 C CB . PHE A 1 8 ? -1.528 -2.735 6.428 1.00 95.03 8 A 1 ATOM 64 C CG . PHE A 1 8 ? -2.331 -1.831 7.329 1.00 91.76 8 A 1 ATOM 65 C CD1 . PHE A 1 8 ? -2.047 -0.458 7.393 1.00 87.48 8 A 1 ATOM 66 C CD2 . PHE A 1 8 ? -3.380 -2.362 8.094 1.00 87.13 8 A 1 ATOM 67 C CE1 . PHE A 1 8 ? -2.806 0.381 8.217 1.00 86.35 8 A 1 ATOM 68 C CE2 . PHE A 1 8 ? -4.140 -1.524 8.921 1.00 86.72 8 A 1 ATOM 69 C CZ . PHE A 1 8 ? -3.852 -0.155 8.985 1.00 86.64 8 A 1 ATOM 70 N N . GLN A 1 9 ? -0.028 -2.552 3.618 1.00 95.10 9 A 1 ATOM 71 C CA . GLN A 1 9 ? 0.885 -1.959 2.637 1.00 95.49 9 A 1 ATOM 72 C C . GLN A 1 9 ? 0.163 -1.685 1.315 1.00 96.28 9 A 1 ATOM 73 O O . GLN A 1 9 ? 0.301 -0.606 0.745 1.00 95.90 9 A 1 ATOM 74 C CB . GLN A 1 9 ? 2.069 -2.905 2.416 1.00 94.85 9 A 1 ATOM 75 C CG . GLN A 1 9 ? 3.101 -2.855 3.551 1.00 87.94 9 A 1 ATOM 76 C CD . GLN A 1 9 ? 4.186 -1.801 3.329 1.00 84.23 9 A 1 ATOM 77 O OE1 . GLN A 1 9 ? 4.017 -0.788 2.681 1.00 79.77 9 A 1 ATOM 78 N NE2 . GLN A 1 9 ? 5.374 -2.021 3.849 1.00 77.20 9 A 1 ATOM 79 N N . PHE A 1 10 ? -0.647 -2.628 0.836 1.00 93.91 10 A 1 ATOM 80 C CA . PHE A 1 10 ? -1.423 -2.461 -0.388 1.00 94.30 10 A 1 ATOM 81 C C . PHE A 1 10 ? -2.415 -1.296 -0.268 1.00 95.42 10 A 1 ATOM 82 O O . PHE A 1 10 ? -2.484 -0.453 -1.162 1.00 95.42 10 A 1 ATOM 83 C CB . PHE A 1 10 ? -2.133 -3.780 -0.706 1.00 94.38 10 A 1 ATOM 84 C CG . PHE A 1 10 ? -2.724 -3.785 -2.096 1.00 92.30 10 A 1 ATOM 85 C CD1 . PHE A 1 10 ? -4.066 -3.433 -2.298 1.00 88.99 10 A 1 ATOM 86 C CD2 . PHE A 1 10 ? -1.916 -4.114 -3.193 1.00 89.50 10 A 1 ATOM 87 C CE1 . PHE A 1 10 ? -4.601 -3.407 -3.592 1.00 87.98 10 A 1 ATOM 88 C CE2 . PHE A 1 10 ? -2.451 -4.089 -4.489 1.00 88.20 10 A 1 ATOM 89 C CZ . PHE A 1 10 ? -3.791 -3.736 -4.688 1.00 88.02 10 A 1 ATOM 90 N N . LEU A 1 11 ? -3.115 -1.194 0.857 1.00 95.32 11 A 1 ATOM 91 C CA . LEU A 1 11 ? -4.013 -0.074 1.130 1.00 95.43 11 A 1 ATOM 92 C C . LEU A 1 11 ? -3.266 1.263 1.180 1.00 96.15 11 A 1 ATOM 93 O O . LEU A 1 11 ? -3.753 2.255 0.644 1.00 96.38 11 A 1 ATOM 94 C CB . LEU A 1 11 ? -4.757 -0.308 2.456 1.00 95.28 11 A 1 ATOM 95 C CG . LEU A 1 11 ? -6.278 -0.276 2.280 1.00 88.20 11 A 1 ATOM 96 C CD1 . LEU A 1 11 ? -6.802 -1.626 1.804 1.00 84.27 11 A 1 ATOM 97 C CD2 . LEU A 1 11 ? -6.952 0.085 3.595 1.00 84.81 11 A 1 ATOM 98 N N . ALA A 1 12 ? -2.081 1.284 1.798 1.00 96.57 12 A 1 ATOM 99 C CA . ALA A 1 12 ? -1.247 2.478 1.876 1.00 96.61 12 A 1 ATOM 100 C C . ALA A 1 12 ? -0.812 2.951 0.480 1.00 97.12 12 A 1 ATOM 101 O O . ALA A 1 12 ? -0.887 4.143 0.195 1.00 96.36 12 A 1 ATOM 102 C CB . ALA A 1 12 ? -0.047 2.184 2.783 1.00 95.72 12 A 1 ATOM 103 N N . VAL A 1 13 ? -0.429 2.039 -0.409 1.00 95.95 13 A 1 ATOM 104 C CA . VAL A 1 13 ? -0.076 2.360 -1.798 1.00 95.99 13 A 1 ATOM 105 C C . VAL A 1 13 ? -1.285 2.912 -2.558 1.00 96.66 13 A 1 ATOM 106 O O . VAL A 1 13 ? -1.152 3.914 -3.261 1.00 96.07 13 A 1 ATOM 107 C CB . VAL A 1 13 ? 0.517 1.130 -2.510 1.00 94.93 13 A 1 ATOM 108 C CG1 . VAL A 1 13 ? 0.747 1.387 -4.003 1.00 91.14 13 A 1 ATOM 109 C CG2 . VAL A 1 13 ? 1.872 0.758 -1.904 1.00 91.47 13 A 1 ATOM 110 N N . CYS A 1 14 ? -2.458 2.330 -2.386 1.00 96.52 14 A 1 ATOM 111 C CA . CYS A 1 14 ? -3.681 2.849 -2.995 1.00 96.59 14 A 1 ATOM 112 C C . CYS A 1 14 ? -3.985 4.277 -2.520 1.00 97.01 14 A 1 ATOM 113 O O . CYS A 1 14 ? -4.265 5.150 -3.336 1.00 96.15 14 A 1 ATOM 114 C CB . CYS A 1 14 ? -4.852 1.913 -2.666 1.00 95.64 14 A 1 ATOM 115 S SG . CYS A 1 14 ? -4.686 0.344 -3.556 1.00 90.89 14 A 1 ATOM 116 N N . SER A 1 15 ? -3.869 4.534 -1.223 1.00 96.86 15 A 1 ATOM 117 C CA . SER A 1 15 ? -4.082 5.864 -0.646 1.00 96.86 15 A 1 ATOM 118 C C . SER A 1 15 ? -3.047 6.875 -1.152 1.00 97.12 15 A 1 ATOM 119 O O . SER A 1 15 ? -3.408 8.006 -1.477 1.00 96.23 15 A 1 ATOM 120 C CB . SER A 1 15 ? -4.023 5.793 0.882 1.00 95.80 15 A 1 ATOM 121 O OG . SER A 1 15 ? -5.001 4.904 1.379 1.00 87.00 15 A 1 ATOM 122 N N . LEU A 1 16 ? -1.784 6.467 -1.264 1.00 97.47 16 A 1 ATOM 123 C CA . LEU A 1 16 ? -0.718 7.304 -1.812 1.00 97.25 16 A 1 ATOM 124 C C . LEU A 1 16 ? -0.991 7.660 -3.274 1.00 97.66 16 A 1 ATOM 125 O O . LEU A 1 16 ? -0.834 8.815 -3.660 1.00 97.03 16 A 1 ATOM 126 C CB . LEU A 1 16 ? 0.619 6.561 -1.661 1.00 96.58 16 A 1 ATOM 127 C CG . LEU A 1 16 ? 1.837 7.413 -2.056 1.00 91.89 16 A 1 ATOM 128 C CD1 . LEU A 1 16 ? 2.139 8.483 -1.012 1.00 88.64 16 A 1 ATOM 129 C CD2 . LEU A 1 16 ? 3.067 6.520 -2.211 1.00 89.56 16 A 1 ATOM 130 N N . THR A 1 17 ? -1.435 6.706 -4.070 1.00 97.32 17 A 1 ATOM 131 C CA . THR A 1 17 ? -1.772 6.933 -5.480 1.00 97.23 17 A 1 ATOM 132 C C . THR A 1 17 ? -2.887 7.972 -5.619 1.00 97.48 17 A 1 ATOM 133 O O . THR A 1 17 ? -2.778 8.879 -6.444 1.00 96.59 17 A 1 ATOM 134 C CB . THR A 1 17 ? -2.188 5.615 -6.149 1.00 96.49 17 A 1 ATOM 135 O OG1 . THR A 1 17 ? -1.170 4.648 -6.024 1.00 91.50 17 A 1 ATOM 136 C CG2 . THR A 1 17 ? -2.427 5.785 -7.651 1.00 90.36 17 A 1 ATOM 137 N N . VAL A 1 18 ? -3.918 7.890 -4.792 1.00 97.55 18 A 1 ATOM 138 C CA . VAL A 1 18 ? -5.003 8.881 -4.772 1.00 97.24 18 A 1 ATOM 139 C C . VAL A 1 18 ? -4.485 10.253 -4.335 1.00 97.46 18 A 1 ATOM 140 O O . VAL A 1 18 ? -4.846 11.259 -4.942 1.00 96.77 18 A 1 ATOM 141 C CB . VAL A 1 18 ? -6.152 8.408 -3.861 1.00 96.11 18 A 1 ATOM 142 C CG1 . VAL A 1 18 ? -7.246 9.468 -3.714 1.00 92.37 18 A 1 ATOM 143 C CG2 . VAL A 1 18 ? -6.810 7.150 -4.437 1.00 92.83 18 A 1 ATOM 144 N N . ALA A 1 19 ? -3.615 10.297 -3.317 1.00 98.02 19 A 1 ATOM 145 C CA . ALA A 1 19 ? -3.022 11.549 -2.854 1.00 97.84 19 A 1 ATOM 146 C C . ALA A 1 19 ? -2.179 12.218 -3.951 1.00 98.00 19 A 1 ATOM 147 O O . ALA A 1 19 ? -2.332 13.413 -4.186 1.00 97.10 19 A 1 ATOM 148 C CB . ALA A 1 19 ? -2.196 11.268 -1.593 1.00 97.10 19 A 1 ATOM 149 N N . VAL A 1 20 ? -1.349 11.460 -4.661 1.00 97.33 20 A 1 ATOM 150 C CA . VAL A 1 20 ? -0.533 11.967 -5.775 1.00 97.09 20 A 1 ATOM 151 C C . VAL A 1 20 ? -1.410 12.416 -6.947 1.00 97.22 20 A 1 ATOM 152 O O . VAL A 1 20 ? -1.142 13.457 -7.539 1.00 96.43 20 A 1 ATOM 153 C CB . VAL A 1 20 ? 0.492 10.909 -6.224 1.00 95.91 20 A 1 ATOM 154 C CG1 . VAL A 1 20 ? 1.256 11.331 -7.479 1.00 90.81 20 A 1 ATOM 155 C CG2 . VAL A 1 20 ? 1.526 10.661 -5.124 1.00 91.65 20 A 1 ATOM 156 N N . ALA A 1 21 ? -2.467 11.690 -7.245 1.00 97.46 21 A 1 ATOM 157 C CA . ALA A 1 21 ? -3.404 12.075 -8.302 1.00 97.05 21 A 1 ATOM 158 C C . ALA A 1 21 ? -4.208 13.344 -7.965 1.00 97.06 21 A 1 ATOM 159 O O . ALA A 1 21 ? -4.744 13.985 -8.870 1.00 95.89 21 A 1 ATOM 160 C CB . ALA A 1 21 ? -4.337 10.887 -8.566 1.00 96.23 21 A 1 ATOM 161 N N . SER A 1 22 ? -4.308 13.689 -6.688 1.00 96.69 22 A 1 ATOM 162 C CA . SER A 1 22 ? -5.034 14.871 -6.206 1.00 96.18 22 A 1 ATOM 163 C C . SER A 1 22 ? -4.127 16.087 -5.982 1.00 95.57 22 A 1 ATOM 164 O O . SER A 1 22 ? -4.640 17.147 -5.619 1.00 92.98 22 A 1 ATOM 165 C CB . SER A 1 22 ? -5.783 14.539 -4.907 1.00 94.31 22 A 1 ATOM 166 O OG . SER A 1 22 ? -6.623 13.405 -5.068 1.00 81.98 22 A 1 ATOM 167 N N . ALA A 1 23 ? -2.810 15.923 -6.176 1.00 94.86 23 A 1 ATOM 168 C CA . ALA A 1 23 ? -1.824 16.994 -6.001 1.00 92.94 23 A 1 ATOM 169 C C . ALA A 1 23 ? -1.643 17.802 -7.293 1.00 90.65 23 A 1 ATOM 170 O O . ALA A 1 23 ? -1.550 19.042 -7.204 1.00 85.93 23 A 1 ATOM 171 C CB . ALA A 1 23 ? -0.504 16.372 -5.532 1.00 89.43 23 A 1 ATOM 172 O OXT . ALA A 1 23 ? -1.581 17.170 -8.370 1.00 79.63 23 A 1 #