# 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_320 # _entry.id 320 # 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" "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" "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 ASN 2 1 n SER 3 1 n LEU 4 1 n LEU 5 1 n ILE 6 1 n ILE 7 1 n THR 8 1 n ALA 9 1 n CYS 10 1 n PHE 11 1 n ALA 12 1 n LEU 13 1 n VAL 14 1 n GLY 15 1 n THR 16 1 n VAL 17 1 n TRP 18 1 n ALA 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 @ 2025-05-31 19:40:30)" _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 94.00 _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 78.49 1 1 A ASN 2 2 87.70 1 2 A SER 3 2 94.98 1 3 A LEU 4 2 93.55 1 4 A LEU 5 2 94.09 1 5 A ILE 6 2 95.91 1 6 A ILE 7 2 96.00 1 7 A THR 8 2 96.08 1 8 A ALA 9 2 97.61 1 9 A CYS 10 2 96.96 1 10 A PHE 11 2 95.11 1 11 A ALA 12 2 98.15 1 12 A LEU 13 2 96.06 1 13 A VAL 14 2 97.06 1 14 A GLY 15 2 98.01 1 15 A THR 16 2 96.42 1 16 A VAL 17 2 96.65 1 17 A TRP 18 2 93.15 1 18 A ALA 19 2 90.54 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 ASN . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n TRP . 18 A 18 A 19 1 n ALA . 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 ? -16.062 -1.043 -2.254 1.00 84.02 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.711 -1.619 -2.431 1.00 85.96 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.678 -0.820 -1.634 1.00 87.41 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.921 -0.033 -2.199 1.00 84.03 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.332 -1.599 -3.913 1.00 79.77 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.117 -2.624 -4.705 1.00 75.86 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.842 -2.438 -6.468 1.00 68.91 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.210 -4.092 -7.019 1.00 61.95 1 A 1 ATOM 9 N N . ASN A 1 2 ? -13.665 -1.013 -0.325 1.00 90.42 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -12.720 -0.314 0.546 1.00 92.73 2 A 1 ATOM 11 C C . ASN A 1 2 ? -11.490 -1.171 0.854 1.00 94.06 2 A 1 ATOM 12 O O . ASN A 1 2 ? -10.398 -0.643 1.058 1.00 92.83 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -13.433 0.095 1.838 1.00 89.08 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -14.312 -1.013 2.386 1.00 84.17 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -13.927 -2.165 2.425 1.00 80.42 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -15.510 -0.660 2.805 1.00 77.93 2 A 1 ATOM 17 N N . SER A 1 3 ? -11.651 -2.490 0.871 1.00 96.23 3 A 1 ATOM 18 C CA . SER A 1 3 ? -10.549 -3.408 1.168 1.00 96.76 3 A 1 ATOM 19 C C . SER A 1 3 ? -9.467 -3.348 0.093 1.00 97.41 3 A 1 ATOM 20 O O . SER A 1 3 ? -8.277 -3.362 0.401 1.00 96.45 3 A 1 ATOM 21 C CB . SER A 1 3 ? -11.077 -4.835 1.294 1.00 95.25 3 A 1 ATOM 22 O OG . SER A 1 3 ? -12.063 -4.908 2.302 1.00 87.80 3 A 1 ATOM 23 N N . LEU A 1 4 ? -9.883 -3.266 -1.173 1.00 96.22 4 A 1 ATOM 24 C CA . LEU A 1 4 ? -8.935 -3.188 -2.289 1.00 96.60 4 A 1 ATOM 25 C C . LEU A 1 4 ? -8.077 -1.932 -2.194 1.00 97.41 4 A 1 ATOM 26 O O . LEU A 1 4 ? -6.875 -1.971 -2.448 1.00 97.15 4 A 1 ATOM 27 C CB . LEU A 1 4 ? -9.702 -3.206 -3.613 1.00 96.07 4 A 1 ATOM 28 C CG . LEU A 1 4 ? -9.858 -4.613 -4.187 1.00 90.88 4 A 1 ATOM 29 C CD1 . LEU A 1 4 ? -11.003 -4.655 -5.193 1.00 87.32 4 A 1 ATOM 30 C CD2 . LEU A 1 4 ? -8.564 -5.044 -4.862 1.00 86.74 4 A 1 ATOM 31 N N . LEU A 1 5 ? -8.697 -0.817 -1.805 1.00 96.43 5 A 1 ATOM 32 C CA . LEU A 1 5 ? -7.979 0.450 -1.657 1.00 96.79 5 A 1 ATOM 33 C C . LEU A 1 5 ? -6.939 0.358 -0.544 1.00 97.52 5 A 1 ATOM 34 O O . LEU A 1 5 ? -5.821 0.845 -0.693 1.00 97.58 5 A 1 ATOM 35 C CB . LEU A 1 5 ? -8.980 1.568 -1.361 1.00 96.52 5 A 1 ATOM 36 C CG . LEU A 1 5 ? -9.682 2.093 -2.613 1.00 91.49 5 A 1 ATOM 37 C CD1 . LEU A 1 5 ? -10.949 2.847 -2.237 1.00 88.34 5 A 1 ATOM 38 C CD2 . LEU A 1 5 ? -8.744 3.016 -3.384 1.00 88.08 5 A 1 ATOM 39 N N . ILE A 1 6 ? -7.303 -0.280 0.560 1.00 97.00 6 A 1 ATOM 40 C CA . ILE A 1 6 ? -6.397 -0.435 1.702 1.00 97.26 6 A 1 ATOM 41 C C . ILE A 1 6 ? -5.211 -1.320 1.325 1.00 97.74 6 A 1 ATOM 42 O O . ILE A 1 6 ? -4.062 -1.001 1.643 1.00 97.71 6 A 1 ATOM 43 C CB . ILE A 1 6 ? -7.149 -1.023 2.905 1.00 97.02 6 A 1 ATOM 44 C CG1 . ILE A 1 6 ? -8.229 -0.048 3.388 1.00 95.55 6 A 1 ATOM 45 C CG2 . ILE A 1 6 ? -6.172 -1.325 4.044 1.00 94.87 6 A 1 ATOM 46 C CD1 . ILE A 1 6 ? -9.264 -0.706 4.288 1.00 90.17 6 A 1 ATOM 47 N N . ILE A 1 7 ? -5.483 -2.427 0.649 1.00 96.94 7 A 1 ATOM 48 C CA . ILE A 1 7 ? -4.429 -3.358 0.238 1.00 97.08 7 A 1 ATOM 49 C C . ILE A 1 7 ? -3.467 -2.674 -0.729 1.00 97.58 7 A 1 ATOM 50 O O . ILE A 1 7 ? -2.245 -2.782 -0.585 1.00 97.61 7 A 1 ATOM 51 C CB . ILE A 1 7 ? -5.044 -4.615 -0.406 1.00 96.92 7 A 1 ATOM 52 C CG1 . ILE A 1 7 ? -5.846 -5.404 0.639 1.00 95.51 7 A 1 ATOM 53 C CG2 . ILE A 1 7 ? -3.948 -5.508 -0.994 1.00 95.15 7 A 1 ATOM 54 C CD1 . ILE A 1 7 ? -6.819 -6.391 0.018 1.00 91.18 7 A 1 ATOM 55 N N . THR A 1 8 ? -4.012 -1.969 -1.699 1.00 97.35 8 A 1 ATOM 56 C CA . THR A 1 8 ? -3.189 -1.270 -2.689 1.00 97.40 8 A 1 ATOM 57 C C . THR A 1 8 ? -2.342 -0.190 -2.018 1.00 97.86 8 A 1 ATOM 58 O O . THR A 1 8 ? -1.153 -0.045 -2.317 1.00 97.73 8 A 1 ATOM 59 C CB . THR A 1 8 ? -4.076 -0.636 -3.765 1.00 96.81 8 A 1 ATOM 60 O OG1 . THR A 1 8 ? -4.932 -1.627 -4.323 1.00 93.13 8 A 1 ATOM 61 C CG2 . THR A 1 8 ? -3.237 -0.045 -4.889 1.00 92.30 8 A 1 ATOM 62 N N . ALA A 1 9 ? -2.943 0.559 -1.101 1.00 97.59 9 A 1 ATOM 63 C CA . ALA A 1 9 ? -2.235 1.620 -0.385 1.00 97.64 9 A 1 ATOM 64 C C . ALA A 1 9 ? -1.113 1.040 0.475 1.00 97.86 9 A 1 ATOM 65 O O . ALA A 1 9 ? -0.013 1.590 0.526 1.00 97.53 9 A 1 ATOM 66 C CB . ALA A 1 9 ? -3.218 2.401 0.482 1.00 97.41 9 A 1 ATOM 67 N N . CYS A 1 10 ? -1.391 -0.076 1.134 1.00 97.47 10 A 1 ATOM 68 C CA . CYS A 1 10 ? -0.396 -0.739 1.982 1.00 97.51 10 A 1 ATOM 69 C C . CYS A 1 10 ? 0.789 -1.222 1.145 1.00 97.65 10 A 1 ATOM 70 O O . CYS A 1 10 ? 1.946 -1.042 1.521 1.00 97.10 10 A 1 ATOM 71 C CB . CYS A 1 10 ? -1.048 -1.914 2.717 1.00 97.08 10 A 1 ATOM 72 S SG . CYS A 1 10 ? 0.037 -2.581 3.987 1.00 94.97 10 A 1 ATOM 73 N N . PHE A 1 11 ? 0.493 -1.831 -0.003 1.00 97.64 11 A 1 ATOM 74 C CA . PHE A 1 11 ? 1.540 -2.327 -0.897 1.00 97.45 11 A 1 ATOM 75 C C . PHE A 1 11 ? 2.384 -1.171 -1.428 1.00 97.81 11 A 1 ATOM 76 O O . PHE A 1 11 ? 3.607 -1.283 -1.535 1.00 97.55 11 A 1 ATOM 77 C CB . PHE A 1 11 ? 0.901 -3.096 -2.050 1.00 96.84 11 A 1 ATOM 78 C CG . PHE A 1 11 ? 1.841 -4.111 -2.643 1.00 95.35 11 A 1 ATOM 79 C CD1 . PHE A 1 11 ? 2.058 -5.330 -2.006 1.00 92.61 11 A 1 ATOM 80 C CD2 . PHE A 1 11 ? 2.504 -3.842 -3.835 1.00 93.24 11 A 1 ATOM 81 C CE1 . PHE A 1 11 ? 2.930 -6.267 -2.549 1.00 92.37 11 A 1 ATOM 82 C CE2 . PHE A 1 11 ? 3.381 -4.776 -4.378 1.00 92.20 11 A 1 ATOM 83 C CZ . PHE A 1 11 ? 3.595 -5.990 -3.735 1.00 93.10 11 A 1 ATOM 84 N N . ALA A 1 12 ? 1.739 -0.062 -1.741 1.00 98.24 12 A 1 ATOM 85 C CA . ALA A 1 12 ? 2.446 1.123 -2.231 1.00 98.25 12 A 1 ATOM 86 C C . ALA A 1 12 ? 3.385 1.675 -1.158 1.00 98.36 12 A 1 ATOM 87 O O . ALA A 1 12 ? 4.515 2.062 -1.451 1.00 97.92 12 A 1 ATOM 88 C CB . ALA A 1 12 ? 1.437 2.184 -2.652 1.00 97.97 12 A 1 ATOM 89 N N . LEU A 1 13 ? 2.914 1.685 0.085 1.00 98.13 13 A 1 ATOM 90 C CA . LEU A 1 13 ? 3.711 2.175 1.211 1.00 97.93 13 A 1 ATOM 91 C C . LEU A 1 13 ? 4.957 1.316 1.403 1.00 98.09 13 A 1 ATOM 92 O O . LEU A 1 13 ? 6.066 1.833 1.554 1.00 97.72 13 A 1 ATOM 93 C CB . LEU A 1 13 ? 2.858 2.167 2.482 1.00 97.62 13 A 1 ATOM 94 C CG . LEU A 1 13 ? 2.723 3.540 3.141 1.00 94.66 13 A 1 ATOM 95 C CD1 . LEU A 1 13 ? 1.533 3.557 4.095 1.00 91.98 13 A 1 ATOM 96 C CD2 . LEU A 1 13 ? 3.994 3.907 3.882 1.00 92.32 13 A 1 ATOM 97 N N . VAL A 1 14 ? 4.778 -0.004 1.377 1.00 98.20 14 A 1 ATOM 98 C CA . VAL A 1 14 ? 5.902 -0.931 1.527 1.00 97.99 14 A 1 ATOM 99 C C . VAL A 1 14 ? 6.886 -0.754 0.374 1.00 98.10 14 A 1 ATOM 100 O O . VAL A 1 14 ? 8.103 -0.761 0.578 1.00 97.69 14 A 1 ATOM 101 C CB . VAL A 1 14 ? 5.395 -2.381 1.590 1.00 97.19 14 A 1 ATOM 102 C CG1 . VAL A 1 14 ? 6.555 -3.361 1.650 1.00 94.99 14 A 1 ATOM 103 C CG2 . VAL A 1 14 ? 4.498 -2.574 2.804 1.00 95.24 14 A 1 ATOM 104 N N . GLY A 1 15 ? 6.365 -0.582 -0.827 1.00 98.15 15 A 1 ATOM 105 C CA . GLY A 1 15 ? 7.207 -0.386 -2.005 1.00 97.98 15 A 1 ATOM 106 C C . GLY A 1 15 ? 8.052 0.870 -1.902 1.00 98.21 15 A 1 ATOM 107 O O . GLY A 1 15 ? 9.231 0.863 -2.258 1.00 97.69 15 A 1 ATOM 108 N N . THR A 1 16 ? 7.474 1.947 -1.390 1.00 98.24 16 A 1 ATOM 109 C CA . THR A 1 16 ? 8.208 3.209 -1.239 1.00 98.16 16 A 1 ATOM 110 C C . THR A 1 16 ? 9.310 3.076 -0.191 1.00 98.22 16 A 1 ATOM 111 O O . THR A 1 16 ? 10.388 3.644 -0.351 1.00 97.25 16 A 1 ATOM 112 C CB . THR A 1 16 ? 7.264 4.348 -0.838 1.00 97.52 16 A 1 ATOM 113 O OG1 . THR A 1 16 ? 6.511 3.988 0.307 1.00 93.39 16 A 1 ATOM 114 C CG2 . THR A 1 16 ? 6.321 4.700 -1.972 1.00 92.14 16 A 1 ATOM 115 N N . VAL A 1 17 ? 9.048 2.331 0.869 1.00 98.10 17 A 1 ATOM 116 C CA . VAL A 1 17 ? 10.042 2.112 1.929 1.00 97.92 17 A 1 ATOM 117 C C . VAL A 1 17 ? 11.205 1.273 1.405 1.00 98.01 17 A 1 ATOM 118 O O . VAL A 1 17 ? 12.363 1.517 1.753 1.00 97.42 17 A 1 ATOM 119 C CB . VAL A 1 17 ? 9.399 1.429 3.147 1.00 97.22 17 A 1 ATOM 120 C CG1 . VAL A 1 17 ? 10.447 1.078 4.196 1.00 94.17 17 A 1 ATOM 121 C CG2 . VAL A 1 17 ? 8.348 2.330 3.769 1.00 93.74 17 A 1 ATOM 122 N N . TRP A 1 18 ? 10.896 0.277 0.575 1.00 97.24 18 A 1 ATOM 123 C CA . TRP A 1 18 ? 11.922 -0.594 0.000 1.00 97.01 18 A 1 ATOM 124 C C . TRP A 1 18 ? 12.660 0.065 -1.161 1.00 97.23 18 A 1 ATOM 125 O O . TRP A 1 18 ? 13.700 -0.430 -1.586 1.00 96.76 18 A 1 ATOM 126 C CB . TRP A 1 18 ? 11.288 -1.910 -0.461 1.00 96.19 18 A 1 ATOM 127 C CG . TRP A 1 18 ? 11.001 -2.840 0.677 1.00 94.13 18 A 1 ATOM 128 C CD1 . TRP A 1 18 ? 9.782 -3.261 1.093 1.00 91.27 18 A 1 ATOM 129 C CD2 . TRP A 1 18 ? 11.955 -3.473 1.545 1.00 93.22 18 A 1 ATOM 130 N NE1 . TRP A 1 18 ? 9.917 -4.116 2.159 1.00 91.17 18 A 1 ATOM 131 C CE2 . TRP A 1 18 ? 11.241 -4.271 2.470 1.00 92.60 18 A 1 ATOM 132 C CE3 . TRP A 1 18 ? 13.358 -3.448 1.634 1.00 90.78 18 A 1 ATOM 133 C CZ2 . TRP A 1 18 ? 11.880 -5.021 3.457 1.00 90.63 18 A 1 ATOM 134 C CZ3 . TRP A 1 18 ? 13.991 -4.193 2.610 1.00 87.78 18 A 1 ATOM 135 C CH2 . TRP A 1 18 ? 13.258 -4.971 3.517 1.00 88.11 18 A 1 ATOM 136 N N . ALA A 1 19 ? 12.143 1.170 -1.656 1.00 94.84 19 A 1 ATOM 137 C CA . ALA A 1 19 ? 12.754 1.861 -2.790 1.00 93.82 19 A 1 ATOM 138 C C . ALA A 1 19 ? 14.079 2.519 -2.395 1.00 92.18 19 A 1 ATOM 139 O O . ALA A 1 19 ? 14.228 2.902 -1.220 1.00 88.88 19 A 1 ATOM 140 C CB . ALA A 1 19 ? 11.790 2.892 -3.355 1.00 90.92 19 A 1 ATOM 141 O OXT . ALA A 1 19 ? 14.952 2.646 -3.256 1.00 82.61 19 A 1 #