# 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_spkb10076 # _entry.id spkb10076 # 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" "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 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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 ILE 2 1 n LEU 3 1 n PHE 4 1 n ASN 5 1 n ARG 6 1 n VAL 7 1 n GLY 8 1 n TYR 9 1 n PHE 10 1 n VAL 11 1 n SER 12 1 n LEU 13 1 n PHE 14 1 n ALA 15 1 n THR 16 1 n VAL 17 1 n SER 18 1 n CYS 19 # _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 @ 2025-07-09 17:18:39)" _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 92.83 _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 87.30 1 1 A ILE 2 2 91.38 1 2 A LEU 3 2 92.83 1 3 A PHE 4 2 91.01 1 4 A ASN 5 2 93.83 1 5 A ARG 6 2 90.77 1 6 A VAL 7 2 96.56 1 7 A GLY 8 2 96.33 1 8 A TYR 9 2 92.76 1 9 A PHE 10 2 93.65 1 10 A VAL 11 2 96.10 1 11 A SER 12 2 95.61 1 12 A LEU 13 2 94.53 1 13 A PHE 14 2 94.12 1 14 A ALA 15 2 97.55 1 15 A THR 16 2 94.65 1 16 A VAL 17 2 95.37 1 17 A SER 18 2 91.43 1 18 A CYS 19 2 82.70 1 19 # _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 ILE . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n TYR . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n CYS . 19 A 19 # _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 ? -14.076 -3.869 -1.876 1.00 92.02 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.819 -3.692 -0.428 1.00 93.79 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.194 -2.326 -0.150 1.00 93.80 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.250 -1.930 -0.827 1.00 91.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.878 -4.782 0.077 1.00 89.07 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.108 -5.126 1.533 1.00 82.71 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.522 -6.775 1.920 1.00 81.09 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.372 -7.054 3.486 1.00 74.53 1 A 1 ATOM 9 N N . ILE A 1 2 ? -13.741 -1.630 0.823 1.00 93.35 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -13.242 -0.303 1.186 1.00 94.78 2 A 1 ATOM 11 C C . ILE A 1 2 ? -11.964 -0.378 2.022 1.00 96.00 2 A 1 ATOM 12 O O . ILE A 1 2 ? -10.967 0.276 1.702 1.00 95.13 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -14.303 0.490 1.968 1.00 93.31 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -15.301 -0.444 2.653 1.00 88.45 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -15.005 1.465 1.019 1.00 87.35 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -16.138 0.253 3.690 1.00 82.66 2 A 1 ATOM 17 N N . LEU A 1 3 ? -12.010 -1.174 3.097 1.00 95.72 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -10.848 -1.318 3.969 1.00 96.14 3 A 1 ATOM 19 C C . LEU A 1 3 ? -9.670 -1.928 3.220 1.00 96.73 3 A 1 ATOM 20 O O . LEU A 1 3 ? -8.528 -1.504 3.379 1.00 96.46 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -11.216 -2.165 5.195 1.00 95.83 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -11.715 -3.565 4.868 1.00 89.76 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -10.633 -4.594 5.201 1.00 86.48 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -12.976 -3.866 5.660 1.00 85.49 3 A 1 ATOM 25 N N . PHE A 1 4 ? -9.946 -2.916 2.384 1.00 95.88 4 A 1 ATOM 26 C CA . PHE A 1 4 ? -8.897 -3.559 1.601 1.00 96.00 4 A 1 ATOM 27 C C . PHE A 1 4 ? -8.378 -2.618 0.525 1.00 96.62 4 A 1 ATOM 28 O O . PHE A 1 4 ? -7.197 -2.642 0.178 1.00 95.90 4 A 1 ATOM 29 C CB . PHE A 1 4 ? -9.437 -4.837 0.958 1.00 94.75 4 A 1 ATOM 30 C CG . PHE A 1 4 ? -8.804 -6.078 1.527 1.00 90.89 4 A 1 ATOM 31 C CD1 . PHE A 1 4 ? -7.517 -6.434 1.161 1.00 87.83 4 A 1 ATOM 32 C CD2 . PHE A 1 4 ? -9.493 -6.873 2.431 1.00 86.58 4 A 1 ATOM 33 C CE1 . PHE A 1 4 ? -6.925 -7.574 1.688 1.00 85.99 4 A 1 ATOM 34 C CE2 . PHE A 1 4 ? -8.906 -8.012 2.960 1.00 84.99 4 A 1 ATOM 35 C CZ . PHE A 1 4 ? -7.619 -8.365 2.586 1.00 85.64 4 A 1 ATOM 36 N N . ASN A 1 5 ? -9.272 -1.789 0.014 1.00 97.29 5 A 1 ATOM 37 C CA . ASN A 1 5 ? -8.886 -0.820 -1.009 1.00 97.29 5 A 1 ATOM 38 C C . ASN A 1 5 ? -7.910 0.193 -0.414 1.00 97.55 5 A 1 ATOM 39 O O . ASN A 1 5 ? -6.904 0.541 -1.030 1.00 96.94 5 A 1 ATOM 40 C CB . ASN A 1 5 ? -10.127 -0.101 -1.540 1.00 96.48 5 A 1 ATOM 41 C CG . ASN A 1 5 ? -9.880 0.464 -2.926 1.00 91.81 5 A 1 ATOM 42 O OD1 . ASN A 1 5 ? -8.761 0.777 -3.297 1.00 87.62 5 A 1 ATOM 43 N ND2 . ASN A 1 5 ? -10.934 0.604 -3.714 1.00 85.65 5 A 1 ATOM 44 N N . ARG A 1 6 ? -8.215 0.629 0.792 1.00 97.32 6 A 1 ATOM 45 C CA . ARG A 1 6 ? -7.348 1.585 1.485 1.00 97.43 6 A 1 ATOM 46 C C . ARG A 1 6 ? -6.029 0.913 1.848 1.00 97.62 6 A 1 ATOM 47 O O . ARG A 1 6 ? -4.957 1.487 1.654 1.00 96.87 6 A 1 ATOM 48 C CB . ARG A 1 6 ? -8.051 2.097 2.747 1.00 96.91 6 A 1 ATOM 49 C CG . ARG A 1 6 ? -7.544 3.468 3.162 1.00 92.56 6 A 1 ATOM 50 C CD . ARG A 1 6 ? -6.300 3.368 4.017 1.00 90.28 6 A 1 ATOM 51 N NE . ARG A 1 6 ? -6.639 2.928 5.374 1.00 87.23 6 A 1 ATOM 52 C CZ . ARG A 1 6 ? -6.980 3.760 6.354 1.00 83.65 6 A 1 ATOM 53 N NH1 . ARG A 1 6 ? -6.984 5.062 6.172 1.00 79.81 6 A 1 ATOM 54 N NH2 . ARG A 1 6 ? -7.324 3.270 7.534 1.00 78.75 6 A 1 ATOM 55 N N . VAL A 1 7 ? -6.109 -0.296 2.361 1.00 97.69 7 A 1 ATOM 56 C CA . VAL A 1 7 ? -4.915 -1.053 2.731 1.00 97.65 7 A 1 ATOM 57 C C . VAL A 1 7 ? -4.067 -1.333 1.497 1.00 97.82 7 A 1 ATOM 58 O O . VAL A 1 7 ? -2.840 -1.277 1.545 1.00 97.42 7 A 1 ATOM 59 C CB . VAL A 1 7 ? -5.298 -2.378 3.414 1.00 97.07 7 A 1 ATOM 60 C CG1 . VAL A 1 7 ? -4.059 -3.224 3.671 1.00 94.09 7 A 1 ATOM 61 C CG2 . VAL A 1 7 ? -6.024 -2.106 4.723 1.00 94.18 7 A 1 ATOM 62 N N . GLY A 1 8 ? -4.728 -1.633 0.407 1.00 96.39 8 A 1 ATOM 63 C CA . GLY A 1 8 ? -4.026 -1.893 -0.845 1.00 96.03 8 A 1 ATOM 64 C C . GLY A 1 8 ? -3.227 -0.683 -1.290 1.00 96.71 8 A 1 ATOM 65 O O . GLY A 1 8 ? -2.127 -0.810 -1.827 1.00 96.19 8 A 1 ATOM 66 N N . TYR A 1 9 ? -3.796 0.488 -1.052 1.00 95.62 9 A 1 ATOM 67 C CA . TYR A 1 9 ? -3.124 1.738 -1.406 1.00 95.81 9 A 1 ATOM 68 C C . TYR A 1 9 ? -1.855 1.906 -0.575 1.00 96.53 9 A 1 ATOM 69 O O . TYR A 1 9 ? -0.809 2.299 -1.088 1.00 96.05 9 A 1 ATOM 70 C CB . TYR A 1 9 ? -4.068 2.911 -1.155 1.00 95.27 9 A 1 ATOM 71 C CG . TYR A 1 9 ? -3.502 4.223 -1.657 1.00 92.86 9 A 1 ATOM 72 C CD1 . TYR A 1 9 ? -3.494 4.519 -3.019 1.00 90.73 9 A 1 ATOM 73 C CD2 . TYR A 1 9 ? -2.979 5.151 -0.769 1.00 91.04 9 A 1 ATOM 74 C CE1 . TYR A 1 9 ? -2.975 5.717 -3.480 1.00 89.72 9 A 1 ATOM 75 C CE2 . TYR A 1 9 ? -2.451 6.357 -1.226 1.00 89.55 9 A 1 ATOM 76 C CZ . TYR A 1 9 ? -2.454 6.632 -2.581 1.00 90.58 9 A 1 ATOM 77 O OH . TYR A 1 9 ? -1.935 7.821 -3.032 1.00 89.40 9 A 1 ATOM 78 N N . PHE A 1 10 ? -1.965 1.589 0.713 1.00 95.99 10 A 1 ATOM 79 C CA . PHE A 1 10 ? -0.828 1.694 1.617 1.00 96.07 10 A 1 ATOM 80 C C . PHE A 1 10 ? 0.226 0.653 1.267 1.00 96.68 10 A 1 ATOM 81 O O . PHE A 1 10 ? 1.422 0.938 1.256 1.00 96.24 10 A 1 ATOM 82 C CB . PHE A 1 10 ? -1.292 1.489 3.058 1.00 95.88 10 A 1 ATOM 83 C CG . PHE A 1 10 ? -0.978 2.673 3.936 1.00 93.85 10 A 1 ATOM 84 C CD1 . PHE A 1 10 ? 0.322 3.126 4.068 1.00 90.96 10 A 1 ATOM 85 C CD2 . PHE A 1 10 ? -1.995 3.320 4.624 1.00 91.95 10 A 1 ATOM 86 C CE1 . PHE A 1 10 ? 0.615 4.216 4.874 1.00 90.54 10 A 1 ATOM 87 C CE2 . PHE A 1 10 ? -1.709 4.407 5.433 1.00 90.93 10 A 1 ATOM 88 C CZ . PHE A 1 10 ? -0.404 4.855 5.559 1.00 91.06 10 A 1 ATOM 89 N N . VAL A 1 11 ? -0.224 -0.554 0.988 1.00 97.21 11 A 1 ATOM 90 C CA . VAL A 1 11 ? 0.683 -1.644 0.630 1.00 97.05 11 A 1 ATOM 91 C C . VAL A 1 11 ? 1.434 -1.303 -0.650 1.00 97.34 11 A 1 ATOM 92 O O . VAL A 1 11 ? 2.639 -1.533 -0.757 1.00 97.01 11 A 1 ATOM 93 C CB . VAL A 1 11 ? -0.089 -2.959 0.442 1.00 96.46 11 A 1 ATOM 94 C CG1 . VAL A 1 11 ? 0.842 -4.061 -0.046 1.00 93.78 11 A 1 ATOM 95 C CG2 . VAL A 1 11 ? -0.739 -3.376 1.752 1.00 93.83 11 A 1 ATOM 96 N N . SER A 1 12 ? 0.719 -0.766 -1.601 1.00 97.26 12 A 1 ATOM 97 C CA . SER A 1 12 ? 1.326 -0.383 -2.871 1.00 97.22 12 A 1 ATOM 98 C C . SER A 1 12 ? 2.331 0.745 -2.664 1.00 97.60 12 A 1 ATOM 99 O O . SER A 1 12 ? 3.402 0.755 -3.265 1.00 96.97 12 A 1 ATOM 100 C CB . SER A 1 12 ? 0.247 0.061 -3.851 1.00 96.39 12 A 1 ATOM 101 O OG . SER A 1 12 ? 0.782 0.141 -5.150 1.00 88.24 12 A 1 ATOM 102 N N . LEU A 1 13 ? 1.965 1.671 -1.797 1.00 96.66 13 A 1 ATOM 103 C CA . LEU A 1 13 ? 2.831 2.802 -1.483 1.00 96.68 13 A 1 ATOM 104 C C . LEU A 1 13 ? 4.101 2.312 -0.800 1.00 97.20 13 A 1 ATOM 105 O O . LEU A 1 13 ? 5.212 2.694 -1.161 1.00 97.09 13 A 1 ATOM 106 C CB . LEU A 1 13 ? 2.088 3.782 -0.568 1.00 96.52 13 A 1 ATOM 107 C CG . LEU A 1 13 ? 2.178 5.248 -0.988 1.00 92.32 13 A 1 ATOM 108 C CD1 . LEU A 1 13 ? 1.631 6.134 0.113 1.00 89.77 13 A 1 ATOM 109 C CD2 . LEU A 1 13 ? 3.604 5.644 -1.313 1.00 90.04 13 A 1 ATOM 110 N N . PHE A 1 14 ? 3.923 1.457 0.202 1.00 97.09 14 A 1 ATOM 111 C CA . PHE A 1 14 ? 5.049 0.914 0.953 1.00 96.87 14 A 1 ATOM 112 C C . PHE A 1 14 ? 5.921 0.047 0.054 1.00 97.24 14 A 1 ATOM 113 O O . PHE A 1 14 ? 7.144 0.077 0.154 1.00 96.96 14 A 1 ATOM 114 C CB . PHE A 1 14 ? 4.530 0.088 2.131 1.00 96.42 14 A 1 ATOM 115 C CG . PHE A 1 14 ? 5.596 -0.200 3.154 1.00 93.75 14 A 1 ATOM 116 C CD1 . PHE A 1 14 ? 6.040 0.794 4.011 1.00 91.37 14 A 1 ATOM 117 C CD2 . PHE A 1 14 ? 6.153 -1.468 3.249 1.00 92.18 14 A 1 ATOM 118 C CE1 . PHE A 1 14 ? 7.023 0.534 4.955 1.00 90.82 14 A 1 ATOM 119 C CE2 . PHE A 1 14 ? 7.142 -1.734 4.188 1.00 91.23 14 A 1 ATOM 120 C CZ . PHE A 1 14 ? 7.575 -0.732 5.042 1.00 91.44 14 A 1 ATOM 121 N N . ALA A 1 15 ? 5.295 -0.722 -0.805 1.00 97.90 15 A 1 ATOM 122 C CA . ALA A 1 15 ? 6.027 -1.602 -1.714 1.00 97.73 15 A 1 ATOM 123 C C . ALA A 1 15 ? 6.926 -0.798 -2.647 1.00 97.92 15 A 1 ATOM 124 O O . ALA A 1 15 ? 8.052 -1.195 -2.929 1.00 97.16 15 A 1 ATOM 125 C CB . ALA A 1 15 ? 5.044 -2.438 -2.526 1.00 97.02 15 A 1 ATOM 126 N N . THR A 1 16 ? 6.421 0.316 -3.115 1.00 97.32 16 A 1 ATOM 127 C CA . THR A 1 16 ? 7.185 1.172 -4.020 1.00 97.02 16 A 1 ATOM 128 C C . THR A 1 16 ? 8.296 1.908 -3.280 1.00 97.10 16 A 1 ATOM 129 O O . THR A 1 16 ? 9.425 1.995 -3.763 1.00 95.61 16 A 1 ATOM 130 C CB . THR A 1 16 ? 6.263 2.197 -4.691 1.00 95.94 16 A 1 ATOM 131 O OG1 . THR A 1 16 ? 5.208 1.517 -5.360 1.00 90.40 16 A 1 ATOM 132 C CG2 . THR A 1 16 ? 7.031 3.021 -5.710 1.00 89.14 16 A 1 ATOM 133 N N . VAL A 1 17 ? 7.957 2.436 -2.120 1.00 97.52 17 A 1 ATOM 134 C CA . VAL A 1 17 ? 8.927 3.180 -1.311 1.00 97.18 17 A 1 ATOM 135 C C . VAL A 1 17 ? 9.963 2.247 -0.691 1.00 97.24 17 A 1 ATOM 136 O O . VAL A 1 17 ? 11.127 2.619 -0.535 1.00 96.24 17 A 1 ATOM 137 C CB . VAL A 1 17 ? 8.214 3.966 -0.195 1.00 96.14 17 A 1 ATOM 138 C CG1 . VAL A 1 17 ? 9.227 4.703 0.668 1.00 91.68 17 A 1 ATOM 139 C CG2 . VAL A 1 17 ? 7.228 4.952 -0.797 1.00 91.58 17 A 1 ATOM 140 N N . SER A 1 18 ? 9.537 1.047 -0.339 1.00 95.66 18 A 1 ATOM 141 C CA . SER A 1 18 ? 10.426 0.068 0.289 1.00 94.37 18 A 1 ATOM 142 C C . SER A 1 18 ? 11.505 -0.409 -0.678 1.00 92.92 18 A 1 ATOM 143 O O . SER A 1 18 ? 12.597 -0.795 -0.268 1.00 89.03 18 A 1 ATOM 144 C CB . SER A 1 18 ? 9.623 -1.132 0.791 1.00 92.15 18 A 1 ATOM 145 O OG . SER A 1 18 ? 10.431 -1.984 1.560 1.00 84.45 18 A 1 ATOM 146 N N . CYS A 1 19 ? 11.219 -0.371 -1.942 1.00 92.44 19 A 1 ATOM 147 C CA . CYS A 1 19 ? 12.166 -0.831 -2.962 1.00 89.19 19 A 1 ATOM 148 C C . CYS A 1 19 ? 13.282 0.190 -3.178 1.00 88.08 19 A 1 ATOM 149 O O . CYS A 1 19 ? 13.170 1.043 -4.060 1.00 83.02 19 A 1 ATOM 150 C CB . CYS A 1 19 ? 11.439 -1.097 -4.268 1.00 81.59 19 A 1 ATOM 151 S SG . CYS A 1 19 ? 12.440 -2.072 -5.415 1.00 73.33 19 A 1 ATOM 152 O OXT . CYS A 1 19 ? 14.281 0.121 -2.429 1.00 71.27 19 A 1 #