# 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_spkb09887 # _entry.id spkb09887 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 PRO 2 1 n PRO 3 1 n PRO 4 1 n ARG 5 1 n THR 6 1 n GLY 7 1 n ARG 8 1 n GLY 9 1 n LEU 10 1 n LEU 11 1 n TRP 12 1 n LEU 13 1 n GLY 14 1 n LEU 15 1 n VAL 16 1 n LEU 17 1 n SER 18 1 n SER 19 1 n VAL 20 1 n CYS 21 1 n VAL 22 1 n ALA 23 1 n LEU 24 1 n GLY 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 @ 2025-07-07 18:19:32)" _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 92.66 _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 81.01 1 1 A PRO 2 2 86.98 1 2 A PRO 3 2 86.47 1 3 A PRO 4 2 88.59 1 4 A ARG 5 2 79.69 1 5 A THR 6 2 88.82 1 6 A GLY 7 2 95.49 1 7 A ARG 8 2 84.82 1 8 A GLY 9 2 97.39 1 9 A LEU 10 2 95.01 1 10 A LEU 11 2 95.51 1 11 A TRP 12 2 93.88 1 12 A LEU 13 2 95.94 1 13 A GLY 14 2 98.53 1 14 A LEU 15 2 96.24 1 15 A VAL 16 2 98.24 1 16 A LEU 17 2 96.60 1 17 A SER 18 2 96.91 1 18 A SER 19 2 97.22 1 19 A VAL 20 2 98.43 1 20 A CYS 21 2 98.04 1 21 A VAL 22 2 98.20 1 22 A ALA 23 2 98.77 1 23 A LEU 24 2 96.49 1 24 A GLY 25 2 92.08 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 PRO . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n TRP . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n VAL . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n GLY . 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 ? -18.719 -4.771 15.639 1.00 85.74 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.642 -4.089 14.894 1.00 86.48 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.136 -5.014 13.790 1.00 87.83 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.960 -6.199 14.066 1.00 83.97 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.488 -3.709 15.833 1.00 83.46 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.887 -2.561 16.772 1.00 79.87 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.567 -2.136 17.936 1.00 75.07 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.240 -0.632 18.645 1.00 65.70 1 A 1 ATOM 9 N N . PRO A 1 2 ? -16.913 -4.536 12.549 1.00 88.15 2 A 1 ATOM 10 C CA . PRO A 1 2 ? -16.340 -5.369 11.489 1.00 89.02 2 A 1 ATOM 11 C C . PRO A 1 2 ? -14.884 -5.737 11.819 1.00 91.12 2 A 1 ATOM 12 O O . PRO A 1 2 ? -14.180 -4.946 12.460 1.00 87.21 2 A 1 ATOM 13 C CB . PRO A 1 2 ? -16.463 -4.514 10.221 1.00 84.94 2 A 1 ATOM 14 C CG . PRO A 1 2 ? -16.477 -3.085 10.741 1.00 82.67 2 A 1 ATOM 15 C CD . PRO A 1 2 ? -17.144 -3.181 12.106 1.00 85.76 2 A 1 ATOM 16 N N . PRO A 1 3 ? -14.396 -6.921 11.389 1.00 88.11 3 A 1 ATOM 17 C CA . PRO A 1 3 ? -13.025 -7.350 11.666 1.00 89.04 3 A 1 ATOM 18 C C . PRO A 1 3 ? -12.009 -6.410 10.998 1.00 91.17 3 A 1 ATOM 19 O O . PRO A 1 3 ? -12.237 -5.940 9.872 1.00 87.33 3 A 1 ATOM 20 C CB . PRO A 1 3 ? -12.940 -8.792 11.141 1.00 84.66 3 A 1 ATOM 21 C CG . PRO A 1 3 ? -14.030 -8.860 10.082 1.00 80.51 3 A 1 ATOM 22 C CD . PRO A 1 3 ? -15.103 -7.910 10.605 1.00 84.50 3 A 1 ATOM 23 N N . PRO A 1 4 ? -10.853 -6.115 11.652 1.00 90.45 4 A 1 ATOM 24 C CA . PRO A 1 4 ? -9.816 -5.250 11.100 1.00 91.38 4 A 1 ATOM 25 C C . PRO A 1 4 ? -9.194 -5.868 9.840 1.00 93.22 4 A 1 ATOM 26 O O . PRO A 1 4 ? -8.753 -7.016 9.825 1.00 89.38 4 A 1 ATOM 27 C CB . PRO A 1 4 ? -8.808 -5.052 12.245 1.00 87.27 4 A 1 ATOM 28 C CG . PRO A 1 4 ? -9.000 -6.269 13.137 1.00 82.71 4 A 1 ATOM 29 C CD . PRO A 1 4 ? -10.476 -6.602 12.979 1.00 85.70 4 A 1 ATOM 30 N N . ARG A 1 5 ? -9.131 -5.093 8.753 1.00 91.27 5 A 1 ATOM 31 C CA . ARG A 1 5 ? -8.600 -5.512 7.443 1.00 92.18 5 A 1 ATOM 32 C C . ARG A 1 5 ? -7.077 -5.346 7.381 1.00 94.39 5 A 1 ATOM 33 O O . ARG A 1 5 ? -6.558 -4.708 6.465 1.00 91.83 5 A 1 ATOM 34 C CB . ARG A 1 5 ? -9.327 -4.754 6.325 1.00 88.70 5 A 1 ATOM 35 C CG . ARG A 1 5 ? -10.818 -5.104 6.253 1.00 79.13 5 A 1 ATOM 36 C CD . ARG A 1 5 ? -11.485 -4.418 5.058 1.00 76.56 5 A 1 ATOM 37 N NE . ARG A 1 5 ? -11.608 -2.964 5.260 1.00 70.82 5 A 1 ATOM 38 C CZ . ARG A 1 5 ? -12.162 -2.108 4.406 1.00 67.18 5 A 1 ATOM 39 N NH1 . ARG A 1 5 ? -12.651 -2.495 3.262 1.00 62.31 5 A 1 ATOM 40 N NH2 . ARG A 1 5 ? -12.243 -0.843 4.699 1.00 62.23 5 A 1 ATOM 41 N N . THR A 1 6 ? -6.347 -5.906 8.340 1.00 92.98 6 A 1 ATOM 42 C CA . THR A 1 6 ? -4.899 -5.707 8.529 1.00 93.75 6 A 1 ATOM 43 C C . THR A 1 6 ? -4.079 -6.091 7.290 1.00 95.06 6 A 1 ATOM 44 O O . THR A 1 6 ? -3.159 -5.367 6.912 1.00 93.13 6 A 1 ATOM 45 C CB . THR A 1 6 ? -4.419 -6.510 9.745 1.00 91.12 6 A 1 ATOM 46 O OG1 . THR A 1 6 ? -5.346 -6.374 10.807 1.00 79.41 6 A 1 ATOM 47 C CG2 . THR A 1 6 ? -3.067 -6.042 10.254 1.00 76.27 6 A 1 ATOM 48 N N . GLY A 1 7 ? -4.426 -7.176 6.598 1.00 94.85 7 A 1 ATOM 49 C CA . GLY A 1 7 ? -3.698 -7.629 5.397 1.00 95.42 7 A 1 ATOM 50 C C . GLY A 1 7 ? -3.735 -6.628 4.236 1.00 96.39 7 A 1 ATOM 51 O O . GLY A 1 7 ? -2.717 -6.370 3.596 1.00 95.32 7 A 1 ATOM 52 N N . ARG A 1 8 ? -4.899 -6.003 3.973 1.00 95.55 8 A 1 ATOM 53 C CA . ARG A 1 8 ? -5.025 -4.989 2.912 1.00 96.22 8 A 1 ATOM 54 C C . ARG A 1 8 ? -4.295 -3.691 3.259 1.00 97.22 8 A 1 ATOM 55 O O . ARG A 1 8 ? -3.768 -3.052 2.357 1.00 96.24 8 A 1 ATOM 56 C CB . ARG A 1 8 ? -6.494 -4.722 2.591 1.00 94.58 8 A 1 ATOM 57 C CG . ARG A 1 8 ? -7.043 -5.796 1.660 1.00 87.02 8 A 1 ATOM 58 C CD . ARG A 1 8 ? -8.374 -5.373 1.049 1.00 83.26 8 A 1 ATOM 59 N NE . ARG A 1 8 ? -9.497 -5.597 1.975 1.00 76.32 8 A 1 ATOM 60 C CZ . ARG A 1 8 ? -10.767 -5.358 1.691 1.00 73.12 8 A 1 ATOM 61 N NH1 . ARG A 1 8 ? -11.140 -4.723 0.614 1.00 66.70 8 A 1 ATOM 62 N NH2 . ARG A 1 8 ? -11.704 -5.785 2.494 1.00 66.84 8 A 1 ATOM 63 N N . GLY A 1 9 ? -4.232 -3.307 4.528 1.00 96.97 9 A 1 ATOM 64 C CA . GLY A 1 9 ? -3.492 -2.126 4.977 1.00 97.29 9 A 1 ATOM 65 C C . GLY A 1 9 ? -1.990 -2.242 4.698 1.00 97.86 9 A 1 ATOM 66 O O . GLY A 1 9 ? -1.385 -1.297 4.201 1.00 97.45 9 A 1 ATOM 67 N N . LEU A 1 10 ? -1.395 -3.417 4.948 1.00 97.35 10 A 1 ATOM 68 C CA . LEU A 1 10 ? 0.027 -3.666 4.674 1.00 97.60 10 A 1 ATOM 69 C C . LEU A 1 10 ? 0.343 -3.638 3.172 1.00 97.99 10 A 1 ATOM 70 O O . LEU A 1 10 ? 1.353 -3.061 2.774 1.00 97.77 10 A 1 ATOM 71 C CB . LEU A 1 10 ? 0.436 -5.018 5.277 1.00 97.26 10 A 1 ATOM 72 C CG . LEU A 1 10 ? 0.480 -5.037 6.811 1.00 93.60 10 A 1 ATOM 73 C CD1 . LEU A 1 10 ? 0.743 -6.460 7.295 1.00 89.88 10 A 1 ATOM 74 C CD2 . LEU A 1 10 ? 1.578 -4.128 7.365 1.00 88.63 10 A 1 ATOM 75 N N . LEU A 1 11 ? -0.520 -4.205 2.330 1.00 97.74 11 A 1 ATOM 76 C CA . LEU A 1 11 ? -0.351 -4.163 0.870 1.00 97.84 11 A 1 ATOM 77 C C . LEU A 1 11 ? -0.415 -2.728 0.335 1.00 98.08 11 A 1 ATOM 78 O O . LEU A 1 11 ? 0.411 -2.340 -0.491 1.00 97.92 11 A 1 ATOM 79 C CB . LEU A 1 11 ? -1.432 -5.021 0.198 1.00 97.64 11 A 1 ATOM 80 C CG . LEU A 1 11 ? -1.247 -6.532 0.377 1.00 94.28 11 A 1 ATOM 81 C CD1 . LEU A 1 11 ? -2.463 -7.263 -0.193 1.00 90.64 11 A 1 ATOM 82 C CD2 . LEU A 1 11 ? 0.005 -7.040 -0.340 1.00 89.96 11 A 1 ATOM 83 N N . TRP A 1 12 ? -1.353 -1.917 0.844 1.00 97.94 12 A 1 ATOM 84 C CA . TRP A 1 12 ? -1.477 -0.508 0.459 1.00 97.94 12 A 1 ATOM 85 C C . TRP A 1 12 ? -0.250 0.294 0.902 1.00 98.35 12 A 1 ATOM 86 O O . TRP A 1 12 ? 0.306 1.049 0.102 1.00 98.19 12 A 1 ATOM 87 C CB . TRP A 1 12 ? -2.768 0.059 1.041 1.00 97.49 12 A 1 ATOM 88 C CG . TRP A 1 12 ? -3.074 1.421 0.528 1.00 94.90 12 A 1 ATOM 89 C CD1 . TRP A 1 12 ? -3.689 1.696 -0.648 1.00 90.80 12 A 1 ATOM 90 C CD2 . TRP A 1 12 ? -2.765 2.717 1.133 1.00 93.52 12 A 1 ATOM 91 N NE1 . TRP A 1 12 ? -3.778 3.073 -0.811 1.00 90.52 12 A 1 ATOM 92 C CE2 . TRP A 1 12 ? -3.225 3.733 0.260 1.00 93.44 12 A 1 ATOM 93 C CE3 . TRP A 1 12 ? -2.140 3.110 2.335 1.00 91.41 12 A 1 ATOM 94 C CZ2 . TRP A 1 12 ? -3.072 5.107 0.568 1.00 91.39 12 A 1 ATOM 95 C CZ3 . TRP A 1 12 ? -1.990 4.483 2.644 1.00 89.28 12 A 1 ATOM 96 C CH2 . TRP A 1 12 ? -2.451 5.466 1.762 1.00 89.21 12 A 1 ATOM 97 N N . LEU A 1 13 ? 0.235 0.075 2.137 1.00 98.29 13 A 1 ATOM 98 C CA . LEU A 1 13 ? 1.441 0.727 2.647 1.00 98.38 13 A 1 ATOM 99 C C . LEU A 1 13 ? 2.670 0.380 1.796 1.00 98.64 13 A 1 ATOM 100 O O . LEU A 1 13 ? 3.447 1.265 1.451 1.00 98.60 13 A 1 ATOM 101 C CB . LEU A 1 13 ? 1.646 0.307 4.110 1.00 98.09 13 A 1 ATOM 102 C CG . LEU A 1 13 ? 2.792 1.062 4.804 1.00 94.00 13 A 1 ATOM 103 C CD1 . LEU A 1 13 ? 2.417 2.524 5.083 1.00 90.44 13 A 1 ATOM 104 C CD2 . LEU A 1 13 ? 3.132 0.385 6.130 1.00 91.06 13 A 1 ATOM 105 N N . GLY A 1 14 ? 2.851 -0.886 1.427 1.00 98.43 14 A 1 ATOM 106 C CA . GLY A 1 14 ? 3.942 -1.323 0.550 1.00 98.47 14 A 1 ATOM 107 C C . GLY A 1 14 ? 3.894 -0.658 -0.825 1.00 98.67 14 A 1 ATOM 108 O O . GLY A 1 14 ? 4.928 -0.238 -1.345 1.00 98.56 14 A 1 ATOM 109 N N . LEU A 1 15 ? 2.703 -0.501 -1.403 1.00 98.57 15 A 1 ATOM 110 C CA . LEU A 1 15 ? 2.520 0.160 -2.694 1.00 98.61 15 A 1 ATOM 111 C C . LEU A 1 15 ? 2.867 1.654 -2.617 1.00 98.75 15 A 1 ATOM 112 O O . LEU A 1 15 ? 3.560 2.172 -3.497 1.00 98.64 15 A 1 ATOM 113 C CB . LEU A 1 15 ? 1.077 -0.103 -3.161 1.00 98.36 15 A 1 ATOM 114 C CG . LEU A 1 15 ? 0.898 0.033 -4.679 1.00 94.27 15 A 1 ATOM 115 C CD1 . LEU A 1 15 ? -0.211 -0.907 -5.159 1.00 91.25 15 A 1 ATOM 116 C CD2 . LEU A 1 15 ? 0.528 1.452 -5.089 1.00 91.47 15 A 1 ATOM 117 N N . VAL A 1 16 ? 2.457 2.344 -1.549 1.00 98.80 16 A 1 ATOM 118 C CA . VAL A 1 16 ? 2.797 3.756 -1.318 1.00 98.77 16 A 1 ATOM 119 C C . VAL A 1 16 ? 4.306 3.931 -1.133 1.00 98.82 16 A 1 ATOM 120 O O . VAL A 1 16 ? 4.902 4.790 -1.782 1.00 98.69 16 A 1 ATOM 121 C CB . VAL A 1 16 ? 2.021 4.319 -0.114 1.00 98.57 16 A 1 ATOM 122 C CG1 . VAL A 1 16 ? 2.486 5.720 0.279 1.00 96.96 16 A 1 ATOM 123 C CG2 . VAL A 1 16 ? 0.533 4.402 -0.440 1.00 97.06 16 A 1 ATOM 124 N N . LEU A 1 17 ? 4.949 3.097 -0.307 1.00 98.73 17 A 1 ATOM 125 C CA . LEU A 1 17 ? 6.399 3.144 -0.094 1.00 98.71 17 A 1 ATOM 126 C C . LEU A 1 17 ? 7.166 2.903 -1.397 1.00 98.78 17 A 1 ATOM 127 O O . LEU A 1 17 ? 8.106 3.641 -1.696 1.00 98.68 17 A 1 ATOM 128 C CB . LEU A 1 17 ? 6.799 2.106 0.963 1.00 98.51 17 A 1 ATOM 129 C CG . LEU A 1 17 ? 6.405 2.487 2.398 1.00 94.49 17 A 1 ATOM 130 C CD1 . LEU A 1 17 ? 6.628 1.291 3.323 1.00 92.19 17 A 1 ATOM 131 C CD2 . LEU A 1 17 ? 7.226 3.663 2.920 1.00 92.70 17 A 1 ATOM 132 N N . SER A 1 18 ? 6.751 1.935 -2.213 1.00 98.81 18 A 1 ATOM 133 C CA . SER A 1 18 ? 7.356 1.680 -3.524 1.00 98.74 18 A 1 ATOM 134 C C . SER A 1 18 ? 7.234 2.893 -4.454 1.00 98.79 18 A 1 ATOM 135 O O . SER A 1 18 ? 8.219 3.283 -5.082 1.00 98.55 18 A 1 ATOM 136 C CB . SER A 1 18 ? 6.701 0.452 -4.157 1.00 98.40 18 A 1 ATOM 137 O OG . SER A 1 18 ? 7.350 0.124 -5.365 1.00 88.17 18 A 1 ATOM 138 N N . SER A 1 19 ? 6.076 3.547 -4.494 1.00 98.80 19 A 1 ATOM 139 C CA . SER A 1 19 ? 5.864 4.755 -5.300 1.00 98.78 19 A 1 ATOM 140 C C . SER A 1 19 ? 6.764 5.913 -4.853 1.00 98.84 19 A 1 ATOM 141 O O . SER A 1 19 ? 7.352 6.598 -5.692 1.00 98.64 19 A 1 ATOM 142 C CB . SER A 1 19 ? 4.394 5.166 -5.217 1.00 98.55 19 A 1 ATOM 143 O OG . SER A 1 19 ? 4.140 6.249 -6.083 1.00 89.70 19 A 1 ATOM 144 N N . VAL A 1 20 ? 6.928 6.110 -3.531 1.00 98.87 20 A 1 ATOM 145 C CA . VAL A 1 20 ? 7.821 7.139 -2.973 1.00 98.84 20 A 1 ATOM 146 C C . VAL A 1 20 ? 9.284 6.839 -3.318 1.00 98.88 20 A 1 ATOM 147 O O . VAL A 1 20 ? 10.009 7.746 -3.733 1.00 98.75 20 A 1 ATOM 148 C CB . VAL A 1 20 ? 7.618 7.264 -1.452 1.00 98.68 20 A 1 ATOM 149 C CG1 . VAL A 1 20 ? 8.645 8.187 -0.798 1.00 97.46 20 A 1 ATOM 150 C CG2 . VAL A 1 20 ? 6.232 7.829 -1.140 1.00 97.51 20 A 1 ATOM 151 N N . CYS A 1 21 ? 9.729 5.580 -3.215 1.00 98.86 21 A 1 ATOM 152 C CA . CYS A 1 21 ? 11.089 5.187 -3.591 1.00 98.84 21 A 1 ATOM 153 C C . CYS A 1 21 ? 11.377 5.457 -5.077 1.00 98.85 21 A 1 ATOM 154 O O . CYS A 1 21 ? 12.444 5.962 -5.405 1.00 98.68 21 A 1 ATOM 155 C CB . CYS A 1 21 ? 11.304 3.705 -3.265 1.00 98.68 21 A 1 ATOM 156 S SG . CYS A 1 21 ? 11.394 3.430 -1.477 1.00 94.31 21 A 1 ATOM 157 N N . VAL A 1 22 ? 10.436 5.171 -5.972 1.00 98.88 22 A 1 ATOM 158 C CA . VAL A 1 22 ? 10.577 5.461 -7.411 1.00 98.82 22 A 1 ATOM 159 C C . VAL A 1 22 ? 10.623 6.969 -7.676 1.00 98.87 22 A 1 ATOM 160 O O . VAL A 1 22 ? 11.398 7.417 -8.521 1.00 98.71 22 A 1 ATOM 161 C CB . VAL A 1 22 ? 9.440 4.790 -8.204 1.00 98.55 22 A 1 ATOM 162 C CG1 . VAL A 1 22 ? 9.424 5.205 -9.676 1.00 96.54 22 A 1 ATOM 163 C CG2 . VAL A 1 22 ? 9.584 3.272 -8.157 1.00 97.03 22 A 1 ATOM 164 N N . ALA A 1 23 ? 9.845 7.767 -6.938 1.00 98.86 23 A 1 ATOM 165 C CA . ALA A 1 23 ? 9.833 9.225 -7.097 1.00 98.84 23 A 1 ATOM 166 C C . ALA A 1 23 ? 11.121 9.899 -6.584 1.00 98.86 23 A 1 ATOM 167 O O . ALA A 1 23 ? 11.478 10.975 -7.065 1.00 98.59 23 A 1 ATOM 168 C CB . ALA A 1 23 ? 8.596 9.782 -6.381 1.00 98.71 23 A 1 ATOM 169 N N . LEU A 1 24 ? 11.805 9.290 -5.600 1.00 98.70 24 A 1 ATOM 170 C CA . LEU A 1 24 ? 13.035 9.823 -5.003 1.00 98.60 24 A 1 ATOM 171 C C . LEU A 1 24 ? 14.311 9.301 -5.674 1.00 98.64 24 A 1 ATOM 172 O O . LEU A 1 24 ? 15.364 9.930 -5.528 1.00 98.13 24 A 1 ATOM 173 C CB . LEU A 1 24 ? 13.049 9.480 -3.500 1.00 98.21 24 A 1 ATOM 174 C CG . LEU A 1 24 ? 11.990 10.208 -2.651 1.00 95.79 24 A 1 ATOM 175 C CD1 . LEU A 1 24 ? 12.013 9.659 -1.223 1.00 92.49 24 A 1 ATOM 176 C CD2 . LEU A 1 24 ? 12.244 11.712 -2.586 1.00 91.38 24 A 1 ATOM 177 N N . GLY A 1 25 ? 14.237 8.168 -6.365 1.00 96.18 25 A 1 ATOM 178 C CA . GLY A 1 25 ? 15.386 7.531 -7.034 1.00 94.56 25 A 1 ATOM 179 C C . GLY A 1 25 ? 15.642 8.095 -8.417 1.00 92.46 25 A 1 ATOM 180 O O . GLY A 1 25 ? 16.824 8.237 -8.782 1.00 86.84 25 A 1 ATOM 181 O OXT . GLY A 1 25 ? 14.649 8.354 -9.145 1.00 90.35 25 A 1 #