# 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_spkb22393 # _entry.id spkb22393 # 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 "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" "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 ASP 2 1 n THR 3 1 n LEU 4 1 n CYS 5 1 n TYR 6 1 n THR 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n THR 12 1 n THR 13 1 n PRO 14 1 n SER 15 1 n TRP 16 1 n VAL 17 1 n LEU 18 1 n SER 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 @ 2025-07-03 15:29:43)" _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 86.10 _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 73.62 1 1 A ASP 2 2 79.43 1 2 A THR 3 2 85.95 1 3 A LEU 4 2 87.66 1 4 A CYS 5 2 89.09 1 5 A TYR 6 2 85.64 1 6 A THR 7 2 88.10 1 7 A LEU 8 2 88.28 1 8 A LEU 9 2 89.22 1 9 A LEU 10 2 89.09 1 10 A LEU 11 2 89.58 1 11 A THR 12 2 90.58 1 12 A THR 13 2 88.53 1 13 A PRO 14 2 89.30 1 14 A SER 15 2 86.88 1 15 A TRP 16 2 85.60 1 16 A VAL 17 2 87.04 1 17 A LEU 18 2 83.66 1 18 A SER 19 2 81.19 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 ASP . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n PRO . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n TRP . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n SER . 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 ? -4.626 14.407 -3.301 1.00 78.39 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.526 14.381 -2.315 1.00 81.29 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.745 13.068 -2.391 1.00 81.50 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.273 12.057 -2.835 1.00 79.04 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.082 14.545 -0.897 1.00 76.51 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.588 15.948 -0.617 1.00 70.63 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.178 16.121 1.065 1.00 64.23 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.452 17.875 1.131 1.00 57.40 1 A 1 ATOM 9 N N . ASP A 1 2 ? -1.502 13.094 -1.937 1.00 82.17 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -0.648 11.904 -1.936 1.00 87.28 2 A 1 ATOM 11 C C . ASP A 1 2 ? -1.107 10.894 -0.889 1.00 89.32 2 A 1 ATOM 12 O O . ASP A 1 2 ? -0.975 9.682 -1.082 1.00 86.61 2 A 1 ATOM 13 C CB . ASP A 1 2 ? 0.798 12.312 -1.650 1.00 81.04 2 A 1 ATOM 14 C CG . ASP A 1 2 ? 1.338 13.289 -2.671 1.00 71.88 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? 0.952 14.461 -2.627 1.00 68.85 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? 2.162 12.864 -3.502 1.00 68.30 2 A 1 ATOM 17 N N . THR A 1 3 ? -1.634 11.380 0.214 1.00 87.36 3 A 1 ATOM 18 C CA . THR A 1 3 ? -2.114 10.527 1.308 1.00 90.48 3 A 1 ATOM 19 C C . THR A 1 3 ? -3.268 9.640 0.849 1.00 91.30 3 A 1 ATOM 20 O O . THR A 1 3 ? -3.322 8.457 1.185 1.00 89.32 3 A 1 ATOM 21 C CB . THR A 1 3 ? -2.565 11.379 2.506 1.00 87.99 3 A 1 ATOM 22 O OG1 . THR A 1 3 ? -1.562 12.345 2.816 1.00 78.69 3 A 1 ATOM 23 C CG2 . THR A 1 3 ? -2.815 10.512 3.727 1.00 76.52 3 A 1 ATOM 24 N N . LEU A 1 4 ? -4.173 10.209 0.079 1.00 90.32 4 A 1 ATOM 25 C CA . LEU A 1 4 ? -5.325 9.465 -0.427 1.00 91.47 4 A 1 ATOM 26 C C . LEU A 1 4 ? -4.878 8.341 -1.354 1.00 92.54 4 A 1 ATOM 27 O O . LEU A 1 4 ? -5.406 7.231 -1.312 1.00 92.27 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -6.284 10.414 -1.157 1.00 90.32 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -7.477 10.891 -0.332 1.00 85.37 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? -8.399 9.723 -0.035 1.00 79.43 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? -7.024 11.558 0.955 1.00 79.58 4 A 1 ATOM 32 N N . CYS A 1 5 ? -3.904 8.644 -2.193 1.00 89.40 5 A 1 ATOM 33 C CA . CYS A 1 5 ? -3.360 7.663 -3.131 1.00 90.86 5 A 1 ATOM 34 C C . CYS A 1 5 ? -2.664 6.524 -2.386 1.00 91.50 5 A 1 ATOM 35 O O . CYS A 1 5 ? -2.801 5.355 -2.750 1.00 89.86 5 A 1 ATOM 36 C CB . CYS A 1 5 ? -2.381 8.341 -4.090 1.00 88.62 5 A 1 ATOM 37 S SG . CYS A 1 5 ? -1.875 7.258 -5.438 1.00 84.29 5 A 1 ATOM 38 N N . TYR A 1 6 ? -1.929 6.873 -1.339 1.00 88.49 6 A 1 ATOM 39 C CA . TYR A 1 6 ? -1.209 5.880 -0.539 1.00 89.85 6 A 1 ATOM 40 C C . TYR A 1 6 ? -2.178 4.978 0.221 1.00 91.33 6 A 1 ATOM 41 O O . TYR A 1 6 ? -1.940 3.776 0.362 1.00 90.56 6 A 1 ATOM 42 C CB . TYR A 1 6 ? -0.273 6.586 0.443 1.00 88.84 6 A 1 ATOM 43 C CG . TYR A 1 6 ? 0.662 5.630 1.148 1.00 86.89 6 A 1 ATOM 44 C CD1 . TYR A 1 6 ? 1.797 5.143 0.504 1.00 83.48 6 A 1 ATOM 45 C CD2 . TYR A 1 6 ? 0.406 5.218 2.446 1.00 83.11 6 A 1 ATOM 46 C CE1 . TYR A 1 6 ? 2.655 4.264 1.144 1.00 81.56 6 A 1 ATOM 47 C CE2 . TYR A 1 6 ? 1.262 4.334 3.096 1.00 81.96 6 A 1 ATOM 48 C CZ . TYR A 1 6 ? 2.382 3.863 2.438 1.00 81.45 6 A 1 ATOM 49 O OH . TYR A 1 6 ? 3.227 2.989 3.078 1.00 80.12 6 A 1 ATOM 50 N N . THR A 1 7 ? -3.254 5.556 0.698 1.00 89.54 7 A 1 ATOM 51 C CA . THR A 1 7 ? -4.272 4.799 1.431 1.00 90.25 7 A 1 ATOM 52 C C . THR A 1 7 ? -4.884 3.725 0.540 1.00 91.42 7 A 1 ATOM 53 O O . THR A 1 7 ? -5.095 2.590 0.970 1.00 90.40 7 A 1 ATOM 54 C CB . THR A 1 7 ? -5.378 5.730 1.945 1.00 89.38 7 A 1 ATOM 55 O OG1 . THR A 1 7 ? -4.798 6.771 2.722 1.00 83.64 7 A 1 ATOM 56 C CG2 . THR A 1 7 ? -6.368 4.970 2.813 1.00 82.08 7 A 1 ATOM 57 N N . LEU A 1 8 ? -5.155 4.088 -0.688 1.00 90.65 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -5.717 3.149 -1.656 1.00 91.04 8 A 1 ATOM 59 C C . LEU A 1 8 ? -4.722 2.036 -1.970 1.00 92.06 8 A 1 ATOM 60 O O . LEU A 1 8 ? -5.103 0.871 -2.105 1.00 90.93 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -6.089 3.895 -2.939 1.00 90.40 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -6.952 3.086 -3.898 1.00 86.26 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -8.395 3.048 -3.421 1.00 82.12 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -6.877 3.676 -5.296 1.00 82.79 8 A 1 ATOM 65 N N . LEU A 1 9 ? -3.461 2.397 -2.078 1.00 91.89 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -2.390 1.438 -2.358 1.00 91.70 9 A 1 ATOM 67 C C . LEU A 1 9 ? -2.246 0.437 -1.217 1.00 92.47 9 A 1 ATOM 68 O O . LEU A 1 9 ? -2.044 -0.755 -1.446 1.00 91.56 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -1.067 2.181 -2.572 1.00 90.88 9 A 1 ATOM 70 C CG . LEU A 1 9 ? 0.068 1.325 -3.142 1.00 87.07 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -0.183 0.983 -4.608 1.00 83.94 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? 1.391 2.052 -2.997 1.00 84.27 9 A 1 ATOM 73 N N . LEU A 1 10 ? -2.352 0.917 0.005 1.00 91.58 10 A 1 ATOM 74 C CA . LEU A 1 10 ? -2.242 0.070 1.190 1.00 91.68 10 A 1 ATOM 75 C C . LEU A 1 10 ? -3.427 -0.885 1.292 1.00 92.16 10 A 1 ATOM 76 O O . LEU A 1 10 ? -3.276 -2.028 1.726 1.00 91.20 10 A 1 ATOM 77 C CB . LEU A 1 10 ? -2.165 0.940 2.446 1.00 90.72 10 A 1 ATOM 78 C CG . LEU A 1 10 ? -1.734 0.195 3.704 1.00 86.53 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? -0.247 -0.138 3.647 1.00 84.19 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? -2.033 1.025 4.942 1.00 84.65 10 A 1 ATOM 81 N N . LEU A 1 11 ? -4.584 -0.419 0.890 1.00 92.06 11 A 1 ATOM 82 C CA . LEU A 1 11 ? -5.800 -1.226 0.925 1.00 91.82 11 A 1 ATOM 83 C C . LEU A 1 11 ? -5.724 -2.370 -0.081 1.00 92.21 11 A 1 ATOM 84 O O . LEU A 1 11 ? -6.197 -3.478 0.174 1.00 90.55 11 A 1 ATOM 85 C CB . LEU A 1 11 ? -7.015 -0.336 0.629 1.00 91.01 11 A 1 ATOM 86 C CG . LEU A 1 11 ? -8.266 -0.661 1.436 1.00 88.44 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? -8.755 -2.068 1.164 1.00 84.99 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? -8.004 -0.451 2.918 1.00 85.60 11 A 1 ATOM 89 N N . THR A 1 12 ? -5.124 -2.099 -1.224 1.00 93.62 12 A 1 ATOM 90 C CA . THR A 1 12 ? -4.988 -3.104 -2.278 1.00 93.19 12 A 1 ATOM 91 C C . THR A 1 12 ? -3.887 -4.111 -1.968 1.00 92.92 12 A 1 ATOM 92 O O . THR A 1 12 ? -3.818 -5.171 -2.593 1.00 89.84 12 A 1 ATOM 93 C CB . THR A 1 12 ? -4.696 -2.447 -3.636 1.00 91.33 12 A 1 ATOM 94 O OG1 . THR A 1 12 ? -3.580 -1.579 -3.551 1.00 87.07 12 A 1 ATOM 95 C CG2 . THR A 1 12 ? -5.905 -1.679 -4.133 1.00 86.08 12 A 1 ATOM 96 N N . THR A 1 13 ? -3.036 -3.782 -1.029 1.00 91.69 13 A 1 ATOM 97 C CA . THR A 1 13 ? -1.926 -4.659 -0.652 1.00 91.50 13 A 1 ATOM 98 C C . THR A 1 13 ? -2.394 -5.759 0.304 1.00 91.13 13 A 1 ATOM 99 O O . THR A 1 13 ? -2.894 -5.461 1.384 1.00 89.20 13 A 1 ATOM 100 C CB . THR A 1 13 ? -0.805 -3.851 0.012 1.00 89.48 13 A 1 ATOM 101 O OG1 . THR A 1 13 ? -0.418 -2.780 -0.848 1.00 83.16 13 A 1 ATOM 102 C CG2 . THR A 1 13 ? 0.413 -4.725 0.272 1.00 83.53 13 A 1 ATOM 103 N N . PRO A 1 14 ? -2.212 -7.040 -0.063 1.00 91.87 14 A 1 ATOM 104 C CA . PRO A 1 14 ? -2.593 -8.171 0.784 1.00 90.59 14 A 1 ATOM 105 C C . PRO A 1 14 ? -1.675 -8.316 2.000 1.00 91.15 14 A 1 ATOM 106 O O . PRO A 1 14 ? -0.604 -7.712 2.047 1.00 88.36 14 A 1 ATOM 107 C CB . PRO A 1 14 ? -2.460 -9.379 -0.151 1.00 88.09 14 A 1 ATOM 108 C CG . PRO A 1 14 ? -1.504 -8.953 -1.207 1.00 86.38 14 A 1 ATOM 109 C CD . PRO A 1 14 ? -1.675 -7.456 -1.354 1.00 88.66 14 A 1 ATOM 110 N N . SER A 1 15 ? -2.090 -9.130 2.959 1.00 89.77 15 A 1 ATOM 111 C CA . SER A 1 15 ? -1.326 -9.319 4.191 1.00 89.56 15 A 1 ATOM 112 C C . SER A 1 15 ? -0.015 -10.065 3.970 1.00 89.75 15 A 1 ATOM 113 O O . SER A 1 15 ? 0.956 -9.849 4.690 1.00 87.19 15 A 1 ATOM 114 C CB . SER A 1 15 ? -2.173 -10.078 5.201 1.00 86.63 15 A 1 ATOM 115 O OG . SER A 1 15 ? -2.577 -11.306 4.635 1.00 78.35 15 A 1 ATOM 116 N N . TRP A 1 16 ? 0.008 -10.950 2.967 1.00 90.36 16 A 1 ATOM 117 C CA . TRP A 1 16 ? 1.204 -11.746 2.685 1.00 90.89 16 A 1 ATOM 118 C C . TRP A 1 16 ? 2.355 -10.893 2.160 1.00 91.59 16 A 1 ATOM 119 O O . TRP A 1 16 ? 3.517 -11.241 2.353 1.00 88.61 16 A 1 ATOM 120 C CB . TRP A 1 16 ? 0.885 -12.862 1.684 1.00 89.59 16 A 1 ATOM 121 C CG . TRP A 1 16 ? 0.550 -12.392 0.302 1.00 87.14 16 A 1 ATOM 122 C CD1 . TRP A 1 16 ? -0.692 -12.157 -0.191 1.00 84.37 16 A 1 ATOM 123 C CD2 . TRP A 1 16 ? 1.457 -12.114 -0.769 1.00 86.35 16 A 1 ATOM 124 N NE1 . TRP A 1 16 ? -0.613 -11.743 -1.502 1.00 82.18 16 A 1 ATOM 125 C CE2 . TRP A 1 16 ? 0.706 -11.708 -1.890 1.00 85.33 16 A 1 ATOM 126 C CE3 . TRP A 1 16 ? 2.849 -12.177 -0.898 1.00 81.88 16 A 1 ATOM 127 C CZ2 . TRP A 1 16 ? 1.288 -11.360 -3.106 1.00 83.37 16 A 1 ATOM 128 C CZ3 . TRP A 1 16 ? 3.438 -11.827 -2.108 1.00 79.07 16 A 1 ATOM 129 C CH2 . TRP A 1 16 ? 2.661 -11.423 -3.198 1.00 77.68 16 A 1 ATOM 130 N N . VAL A 1 17 ? 2.029 -9.798 1.503 1.00 90.46 17 A 1 ATOM 131 C CA . VAL A 1 17 ? 3.048 -8.894 0.962 1.00 89.33 17 A 1 ATOM 132 C C . VAL A 1 17 ? 3.775 -8.157 2.080 1.00 89.07 17 A 1 ATOM 133 O O . VAL A 1 17 ? 4.992 -7.953 2.016 1.00 87.63 17 A 1 ATOM 134 C CB . VAL A 1 17 ? 2.440 -7.866 -0.017 1.00 87.54 17 A 1 ATOM 135 C CG1 . VAL A 1 17 ? 3.496 -6.878 -0.492 1.00 82.34 17 A 1 ATOM 136 C CG2 . VAL A 1 17 ? 1.828 -8.564 -1.217 1.00 82.89 17 A 1 ATOM 137 N N . LEU A 1 18 ? 3.030 -7.760 3.099 1.00 89.46 18 A 1 ATOM 138 C CA . LEU A 1 18 ? 3.604 -7.039 4.236 1.00 88.30 18 A 1 ATOM 139 C C . LEU A 1 18 ? 4.405 -7.962 5.148 1.00 88.23 18 A 1 ATOM 140 O O . LEU A 1 18 ? 5.295 -7.510 5.871 1.00 86.11 18 A 1 ATOM 141 C CB . LEU A 1 18 ? 2.492 -6.362 5.031 1.00 86.08 18 A 1 ATOM 142 C CG . LEU A 1 18 ? 2.980 -5.386 6.078 1.00 81.44 18 A 1 ATOM 143 C CD1 . LEU A 1 18 ? 3.611 -4.156 5.431 1.00 75.61 18 A 1 ATOM 144 C CD2 . LEU A 1 18 ? 1.830 -4.971 6.980 1.00 74.01 18 A 1 ATOM 145 N N . SER A 1 19 ? 4.091 -9.240 5.115 1.00 87.07 19 A 1 ATOM 146 C CA . SER A 1 19 ? 4.757 -10.231 5.952 1.00 85.88 19 A 1 ATOM 147 C C . SER A 1 19 ? 6.255 -10.317 5.672 1.00 82.95 19 A 1 ATOM 148 O O . SER A 1 19 ? 6.666 -10.088 4.526 1.00 78.92 19 A 1 ATOM 149 C CB . SER A 1 19 ? 4.130 -11.608 5.759 1.00 81.65 19 A 1 ATOM 150 O OG . SER A 1 19 ? 4.701 -12.541 6.643 1.00 75.35 19 A 1 ATOM 151 O OXT . SER A 1 19 ? 7.025 -10.612 6.595 1.00 76.48 19 A 1 #