# 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_340 # _entry.id 340 # 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" "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 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 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" "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" # _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 THR 2 1 n CYS 3 1 n SER 4 1 n PRO 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n THR 9 1 n LEU 10 1 n LEU 11 1 n ILE 12 1 n HIS 13 1 n CYS 14 1 n THR 15 1 n GLY 16 1 n SER 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 18:46:41)" _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 84.34 _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 69.31 1 1 A THR 2 2 74.87 1 2 A CYS 3 2 79.06 1 3 A SER 4 2 85.37 1 4 A PRO 5 2 89.84 1 5 A LEU 6 2 87.92 1 6 A LEU 7 2 88.81 1 7 A LEU 8 2 89.01 1 8 A THR 9 2 90.14 1 9 A LEU 10 2 89.22 1 10 A LEU 11 2 88.54 1 11 A ILE 12 2 89.84 1 12 A HIS 13 2 84.70 1 13 A CYS 14 2 88.15 1 14 A THR 15 2 87.71 1 15 A GLY 16 2 89.74 1 16 A SER 17 2 84.00 1 17 A TRP 18 2 76.54 1 18 A ALA 19 2 76.67 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 THR . 2 A 2 A 3 1 n CYS . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n HIS . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n SER . 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 ? -3.703 15.974 8.309 1.00 74.33 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.986 14.890 7.613 1.00 75.16 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.006 13.920 7.034 1.00 77.26 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.711 13.254 7.788 1.00 73.38 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.049 14.146 8.573 1.00 70.88 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.938 15.043 9.101 1.00 67.36 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.109 14.211 10.313 1.00 61.11 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.237 15.539 10.714 1.00 55.01 1 A 1 ATOM 9 N N . THR A 1 2 ? -4.123 13.888 5.725 1.00 78.51 2 A 1 ATOM 10 C CA . THR A 1 2 ? -5.075 13.006 5.054 1.00 79.79 2 A 1 ATOM 11 C C . THR A 1 2 ? -4.353 11.752 4.570 1.00 80.07 2 A 1 ATOM 12 O O . THR A 1 2 ? -3.457 11.823 3.729 1.00 75.20 2 A 1 ATOM 13 C CB . THR A 1 2 ? -5.750 13.719 3.874 1.00 76.07 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -4.792 14.427 3.104 1.00 67.87 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -6.793 14.708 4.362 1.00 66.55 2 A 1 ATOM 16 N N . CYS A 1 3 ? -4.731 10.611 5.122 1.00 80.54 3 A 1 ATOM 17 C CA . CYS A 1 3 ? -4.178 9.335 4.685 1.00 81.71 3 A 1 ATOM 18 C C . CYS A 1 3 ? -4.936 8.876 3.440 1.00 84.43 3 A 1 ATOM 19 O O . CYS A 1 3 ? -6.135 8.607 3.511 1.00 79.81 3 A 1 ATOM 20 C CB . CYS A 1 3 ? -4.283 8.301 5.807 1.00 77.24 3 A 1 ATOM 21 S SG . CYS A 1 3 ? -3.356 6.808 5.406 1.00 70.60 3 A 1 ATOM 22 N N . SER A 1 4 ? -4.264 8.834 2.311 1.00 84.59 4 A 1 ATOM 23 C CA . SER A 1 4 ? -4.884 8.403 1.063 1.00 87.34 4 A 1 ATOM 24 C C . SER A 1 4 ? -5.197 6.907 1.133 1.00 89.05 4 A 1 ATOM 25 O O . SER A 1 4 ? -4.311 6.114 1.465 1.00 88.87 4 A 1 ATOM 26 C CB . SER A 1 4 ? -3.968 8.698 -0.122 1.00 85.34 4 A 1 ATOM 27 O OG . SER A 1 4 ? -4.583 8.310 -1.335 1.00 77.00 4 A 1 ATOM 28 N N . PRO A 1 5 ? -6.442 6.503 0.815 1.00 89.97 5 A 1 ATOM 29 C CA . PRO A 1 5 ? -6.828 5.089 0.862 1.00 91.23 5 A 1 ATOM 30 C C . PRO A 1 5 ? -6.004 4.234 -0.098 1.00 92.70 5 A 1 ATOM 31 O O . PRO A 1 5 ? -5.743 3.064 0.180 1.00 90.83 5 A 1 ATOM 32 C CB . PRO A 1 5 ? -8.317 5.094 0.487 1.00 88.39 5 A 1 ATOM 33 C CG . PRO A 1 5 ? -8.525 6.380 -0.260 1.00 86.33 5 A 1 ATOM 34 C CD . PRO A 1 5 ? -7.540 7.349 0.362 1.00 89.40 5 A 1 ATOM 35 N N . LEU A 1 6 ? -5.561 4.822 -1.205 1.00 90.64 6 A 1 ATOM 36 C CA . LEU A 1 6 ? -4.728 4.120 -2.179 1.00 91.24 6 A 1 ATOM 37 C C . LEU A 1 6 ? -3.348 3.805 -1.603 1.00 93.12 6 A 1 ATOM 38 O O . LEU A 1 6 ? -2.845 2.691 -1.758 1.00 91.98 6 A 1 ATOM 39 C CB . LEU A 1 6 ? -4.598 4.957 -3.455 1.00 90.35 6 A 1 ATOM 40 C CG . LEU A 1 6 ? -5.915 5.177 -4.213 1.00 85.01 6 A 1 ATOM 41 C CD1 . LEU A 1 6 ? -5.677 6.104 -5.402 1.00 80.95 6 A 1 ATOM 42 C CD2 . LEU A 1 6 ? -6.503 3.861 -4.700 1.00 80.10 6 A 1 ATOM 43 N N . LEU A 1 7 ? -2.748 4.774 -0.918 1.00 91.75 7 A 1 ATOM 44 C CA . LEU A 1 7 ? -1.443 4.576 -0.285 1.00 91.36 7 A 1 ATOM 45 C C . LEU A 1 7 ? -1.535 3.573 0.859 1.00 92.48 7 A 1 ATOM 46 O O . LEU A 1 7 ? -0.646 2.740 1.029 1.00 92.16 7 A 1 ATOM 47 C CB . LEU A 1 7 ? -0.892 5.913 0.226 1.00 91.31 7 A 1 ATOM 48 C CG . LEU A 1 7 ? -0.469 6.887 -0.880 1.00 85.79 7 A 1 ATOM 49 C CD1 . LEU A 1 7 ? -0.032 8.211 -0.266 1.00 82.73 7 A 1 ATOM 50 C CD2 . LEU A 1 7 ? 0.666 6.316 -1.721 1.00 82.94 7 A 1 ATOM 51 N N . LEU A 1 8 ? -2.617 3.633 1.626 1.00 92.38 8 A 1 ATOM 52 C CA . LEU A 1 8 ? -2.851 2.693 2.720 1.00 91.70 8 A 1 ATOM 53 C C . LEU A 1 8 ? -2.987 1.268 2.186 1.00 92.43 8 A 1 ATOM 54 O O . LEU A 1 8 ? -2.358 0.342 2.699 1.00 92.20 8 A 1 ATOM 55 C CB . LEU A 1 8 ? -4.105 3.105 3.498 1.00 91.61 8 A 1 ATOM 56 C CG . LEU A 1 8 ? -4.409 2.234 4.716 1.00 85.53 8 A 1 ATOM 57 C CD1 . LEU A 1 8 ? -3.304 2.345 5.766 1.00 82.79 8 A 1 ATOM 58 C CD2 . LEU A 1 8 ? -5.743 2.636 5.324 1.00 83.41 8 A 1 ATOM 59 N N . THR A 1 9 ? -3.775 1.099 1.135 1.00 91.97 9 A 1 ATOM 60 C CA . THR A 1 9 ? -3.975 -0.208 0.502 1.00 91.23 9 A 1 ATOM 61 C C . THR A 1 9 ? -2.658 -0.745 -0.056 1.00 91.51 9 A 1 ATOM 62 O O . THR A 1 9 ? -2.331 -1.919 0.133 1.00 90.55 9 A 1 ATOM 63 C CB . THR A 1 9 ? -5.015 -0.104 -0.621 1.00 91.34 9 A 1 ATOM 64 O OG1 . THR A 1 9 ? -6.249 0.359 -0.088 1.00 87.78 9 A 1 ATOM 65 C CG2 . THR A 1 9 ? -5.272 -1.453 -1.275 1.00 86.59 9 A 1 ATOM 66 N N . LEU A 1 10 ? -1.886 0.114 -0.703 1.00 92.35 10 A 1 ATOM 67 C CA . LEU A 1 10 ? -0.581 -0.258 -1.242 1.00 91.28 10 A 1 ATOM 68 C C . LEU A 1 10 ? 0.359 -0.712 -0.126 1.00 92.01 10 A 1 ATOM 69 O O . LEU A 1 10 ? 1.037 -1.730 -0.260 1.00 90.74 10 A 1 ATOM 70 C CB . LEU A 1 10 ? 0.021 0.933 -2.003 1.00 91.29 10 A 1 ATOM 71 C CG . LEU A 1 10 ? 1.352 0.636 -2.698 1.00 86.92 10 A 1 ATOM 72 C CD1 . LEU A 1 10 ? 1.166 -0.348 -3.851 1.00 84.01 10 A 1 ATOM 73 C CD2 . LEU A 1 10 ? 1.967 1.925 -3.222 1.00 85.19 10 A 1 ATOM 74 N N . LEU A 1 11 ? 0.380 0.026 0.982 1.00 91.71 11 A 1 ATOM 75 C CA . LEU A 1 11 ? 1.223 -0.298 2.129 1.00 90.85 11 A 1 ATOM 76 C C . LEU A 1 11 ? 0.840 -1.653 2.719 1.00 91.17 11 A 1 ATOM 77 O O . LEU A 1 11 ? 1.713 -2.470 3.023 1.00 90.29 11 A 1 ATOM 78 C CB . LEU A 1 11 ? 1.121 0.830 3.169 1.00 90.70 11 A 1 ATOM 79 C CG . LEU A 1 11 ? 2.143 0.745 4.305 1.00 86.41 11 A 1 ATOM 80 C CD1 . LEU A 1 11 ? 2.575 2.148 4.734 1.00 83.53 11 A 1 ATOM 81 C CD2 . LEU A 1 11 ? 1.566 0.015 5.509 1.00 83.65 11 A 1 ATOM 82 N N . ILE A 1 12 ? -0.460 -1.914 2.861 1.00 92.29 12 A 1 ATOM 83 C CA . ILE A 1 12 ? -0.955 -3.191 3.374 1.00 91.18 12 A 1 ATOM 84 C C . ILE A 1 12 ? -0.557 -4.334 2.438 1.00 90.91 12 A 1 ATOM 85 O O . ILE A 1 12 ? -0.082 -5.377 2.889 1.00 89.10 12 A 1 ATOM 86 C CB . ILE A 1 12 ? -2.483 -3.141 3.578 1.00 91.22 12 A 1 ATOM 87 C CG1 . ILE A 1 12 ? -2.833 -2.179 4.724 1.00 89.58 12 A 1 ATOM 88 C CG2 . ILE A 1 12 ? -3.040 -4.539 3.884 1.00 89.04 12 A 1 ATOM 89 C CD1 . ILE A 1 12 ? -4.306 -1.800 4.773 1.00 85.42 12 A 1 ATOM 90 N N . HIS A 1 13 ? -0.716 -4.132 1.132 1.00 91.41 13 A 1 ATOM 91 C CA . HIS A 1 13 ? -0.353 -5.147 0.147 1.00 89.83 13 A 1 ATOM 92 C C . HIS A 1 13 ? 1.150 -5.416 0.157 1.00 90.69 13 A 1 ATOM 93 O O . HIS A 1 13 ? 1.577 -6.575 0.128 1.00 89.19 13 A 1 ATOM 94 C CB . HIS A 1 13 ? -0.803 -4.710 -1.251 1.00 89.17 13 A 1 ATOM 95 C CG . HIS A 1 13 ? -2.285 -4.822 -1.473 1.00 84.57 13 A 1 ATOM 96 N ND1 . HIS A 1 13 ? -2.907 -4.419 -2.635 1.00 75.49 13 A 1 ATOM 97 C CD2 . HIS A 1 13 ? -3.268 -5.315 -0.673 1.00 78.59 13 A 1 ATOM 98 C CE1 . HIS A 1 13 ? -4.207 -4.666 -2.532 1.00 77.94 13 A 1 ATOM 99 N NE2 . HIS A 1 13 ? -4.462 -5.211 -1.349 1.00 80.10 13 A 1 ATOM 100 N N . CYS A 1 14 ? 1.965 -4.361 0.234 1.00 89.55 14 A 1 ATOM 101 C CA . CYS A 1 14 ? 3.412 -4.504 0.301 1.00 89.60 14 A 1 ATOM 102 C C . CYS A 1 14 ? 3.834 -5.240 1.572 1.00 90.15 14 A 1 ATOM 103 O O . CYS A 1 14 ? 4.663 -6.144 1.523 1.00 87.50 14 A 1 ATOM 104 C CB . CYS A 1 14 ? 4.081 -3.126 0.224 1.00 88.10 14 A 1 ATOM 105 S SG . CYS A 1 14 ? 3.957 -2.407 -1.430 1.00 83.98 14 A 1 ATOM 106 N N . THR A 1 15 ? 3.236 -4.879 2.704 1.00 91.03 15 A 1 ATOM 107 C CA . THR A 1 15 ? 3.524 -5.531 3.982 1.00 90.84 15 A 1 ATOM 108 C C . THR A 1 15 ? 3.085 -6.997 3.951 1.00 90.43 15 A 1 ATOM 109 O O . THR A 1 15 ? 3.807 -7.876 4.420 1.00 87.83 15 A 1 ATOM 110 C CB . THR A 1 15 ? 2.825 -4.792 5.134 1.00 89.26 15 A 1 ATOM 111 O OG1 . THR A 1 15 ? 3.216 -3.423 5.132 1.00 83.07 15 A 1 ATOM 112 C CG2 . THR A 1 15 ? 3.199 -5.386 6.485 1.00 81.51 15 A 1 ATOM 113 N N . GLY A 1 16 ? 1.914 -7.262 3.378 1.00 90.25 16 A 1 ATOM 114 C CA . GLY A 1 16 ? 1.396 -8.622 3.238 1.00 89.55 16 A 1 ATOM 115 C C . GLY A 1 16 ? 2.248 -9.492 2.325 1.00 90.61 16 A 1 ATOM 116 O O . GLY A 1 16 ? 2.305 -10.709 2.505 1.00 88.53 16 A 1 ATOM 117 N N . SER A 1 17 ? 2.930 -8.881 1.357 1.00 86.79 17 A 1 ATOM 118 C CA . SER A 1 17 ? 3.818 -9.602 0.439 1.00 87.29 17 A 1 ATOM 119 C C . SER A 1 17 ? 5.049 -10.168 1.153 1.00 87.75 17 A 1 ATOM 120 O O . SER A 1 17 ? 5.657 -11.127 0.680 1.00 83.86 17 A 1 ATOM 121 C CB . SER A 1 17 ? 4.260 -8.679 -0.698 1.00 84.52 17 A 1 ATOM 122 O OG . SER A 1 17 ? 4.979 -9.408 -1.671 1.00 73.77 17 A 1 ATOM 123 N N . TRP A 1 18 ? 5.421 -9.573 2.299 1.00 86.08 18 A 1 ATOM 124 C CA . TRP A 1 18 ? 6.537 -10.050 3.117 1.00 85.15 18 A 1 ATOM 125 C C . TRP A 1 18 ? 6.092 -11.078 4.164 1.00 86.01 18 A 1 ATOM 126 O O . TRP A 1 18 ? 6.935 -11.644 4.862 1.00 82.44 18 A 1 ATOM 127 C CB . TRP A 1 18 ? 7.243 -8.873 3.793 1.00 81.19 18 A 1 ATOM 128 C CG . TRP A 1 18 ? 7.900 -7.921 2.836 1.00 76.11 18 A 1 ATOM 129 C CD1 . TRP A 1 18 ? 7.395 -6.746 2.396 1.00 73.67 18 A 1 ATOM 130 C CD2 . TRP A 1 18 ? 9.199 -8.056 2.206 1.00 76.74 18 A 1 ATOM 131 N NE1 . TRP A 1 18 ? 8.283 -6.143 1.528 1.00 71.01 18 A 1 ATOM 132 C CE2 . TRP A 1 18 ? 9.405 -6.926 1.387 1.00 75.26 18 A 1 ATOM 133 C CE3 . TRP A 1 18 ? 10.206 -9.031 2.270 1.00 70.63 18 A 1 ATOM 134 C CZ2 . TRP A 1 18 ? 10.578 -6.752 0.636 1.00 71.59 18 A 1 ATOM 135 C CZ3 . TRP A 1 18 ? 11.372 -8.861 1.523 1.00 68.34 18 A 1 ATOM 136 C CH2 . TRP A 1 18 ? 11.551 -7.730 0.712 1.00 67.38 18 A 1 ATOM 137 N N . ALA A 1 19 ? 4.784 -11.310 4.283 1.00 82.53 19 A 1 ATOM 138 C CA . ALA A 1 19 ? 4.225 -12.243 5.254 1.00 81.33 19 A 1 ATOM 139 C C . ALA A 1 19 ? 4.050 -13.638 4.648 1.00 79.24 19 A 1 ATOM 140 O O . ALA A 1 19 ? 3.856 -13.751 3.423 1.00 74.25 19 A 1 ATOM 141 C CB . ALA A 1 19 ? 2.904 -11.700 5.797 1.00 74.86 19 A 1 ATOM 142 O OXT . ALA A 1 19 ? 4.094 -14.632 5.409 1.00 67.81 19 A 1 #