# 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_spkb34655 # _entry.id spkb34655 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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 LYS 2 1 n LYS 3 1 n LEU 4 1 n ALA 5 1 n ILE 6 1 n THR 7 1 n CYS 8 1 n ALA 9 1 n LEU 10 1 n LEU 11 1 n SER 12 1 n GLY 13 1 n MET 14 1 n VAL 15 1 n VAL 16 1 n SER 17 1 n GLN 18 1 n VAL 19 1 n TRP 20 1 n ALA 21 # _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 05:46:19)" _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 93.11 _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 87.06 1 1 A LYS 2 2 87.66 1 2 A LYS 3 2 89.69 1 3 A LEU 4 2 91.71 1 4 A ALA 5 2 97.27 1 5 A ILE 6 2 95.70 1 6 A THR 7 2 95.26 1 7 A CYS 8 2 95.10 1 8 A ALA 9 2 97.19 1 9 A LEU 10 2 94.84 1 10 A LEU 11 2 94.42 1 11 A SER 12 2 95.05 1 12 A GLY 13 2 96.58 1 13 A MET 14 2 91.73 1 14 A VAL 15 2 96.40 1 15 A VAL 16 2 96.39 1 16 A SER 17 2 95.21 1 17 A GLN 18 2 91.68 1 18 A VAL 19 2 95.46 1 19 A TRP 20 2 91.21 1 20 A ALA 21 2 89.24 1 21 # _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 LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n TRP . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -15.667 6.051 6.059 1.00 92.67 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.187 6.091 6.149 1.00 94.65 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.495 4.936 5.416 1.00 95.60 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.280 4.839 5.430 1.00 93.02 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.746 6.117 7.614 1.00 90.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.296 7.323 8.368 1.00 85.38 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.524 7.492 9.982 1.00 77.67 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.880 8.111 10.950 1.00 66.60 1 A 1 ATOM 9 N N . LYS A 1 2 ? -14.253 4.072 4.759 1.00 94.85 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -13.703 2.893 4.061 1.00 95.95 2 A 1 ATOM 11 C C . LYS A 1 2 ? -12.761 3.273 2.916 1.00 96.40 2 A 1 ATOM 12 O O . LYS A 1 2 ? -11.789 2.567 2.659 1.00 95.19 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -14.854 2.018 3.544 1.00 94.42 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -15.683 1.420 4.686 1.00 85.88 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -16.764 0.489 4.146 1.00 83.71 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -17.571 -0.112 5.289 1.00 74.72 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -18.626 -1.041 4.800 1.00 67.82 2 A 1 ATOM 18 N N . LYS A 1 3 ? -13.002 4.403 2.251 1.00 96.63 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -12.175 4.871 1.127 1.00 97.28 3 A 1 ATOM 20 C C . LYS A 1 3 ? -10.747 5.205 1.568 1.00 97.42 3 A 1 ATOM 21 O O . LYS A 1 3 ? -9.797 4.892 0.852 1.00 96.53 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -12.872 6.065 0.468 1.00 96.67 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -12.358 6.294 -0.952 1.00 90.72 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -13.128 7.420 -1.638 1.00 85.83 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -12.636 7.602 -3.074 1.00 77.12 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -13.329 8.715 -3.765 1.00 69.04 3 A 1 ATOM 27 N N . LEU A 1 4 ? -10.575 5.780 2.761 1.00 95.93 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -9.264 6.108 3.325 1.00 96.39 4 A 1 ATOM 29 C C . LEU A 1 4 ? -8.444 4.852 3.618 1.00 97.25 4 A 1 ATOM 30 O O . LEU A 1 4 ? -7.256 4.809 3.310 1.00 96.78 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -9.463 6.950 4.594 1.00 95.76 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -9.127 8.429 4.373 1.00 87.40 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -9.806 9.288 5.431 1.00 81.88 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -7.622 8.651 4.445 1.00 82.27 4 A 1 ATOM 35 N N . ALA A 1 5 ? -9.072 3.811 4.151 1.00 96.75 5 A 1 ATOM 36 C CA . ALA A 1 5 ? -8.406 2.545 4.444 1.00 97.48 5 A 1 ATOM 37 C C . ALA A 1 5 ? -7.897 1.861 3.166 1.00 97.73 5 A 1 ATOM 38 O O . ALA A 1 5 ? -6.775 1.366 3.138 1.00 97.33 5 A 1 ATOM 39 C CB . ALA A 1 5 ? -9.379 1.650 5.210 1.00 97.04 5 A 1 ATOM 40 N N . ILE A 1 6 ? -8.687 1.884 2.091 1.00 97.35 6 A 1 ATOM 41 C CA . ILE A 1 6 ? -8.303 1.309 0.797 1.00 97.22 6 A 1 ATOM 42 C C . ILE A 1 6 ? -7.127 2.076 0.197 1.00 97.10 6 A 1 ATOM 43 O O . ILE A 1 6 ? -6.156 1.464 -0.246 1.00 96.70 6 A 1 ATOM 44 C CB . ILE A 1 6 ? -9.512 1.293 -0.156 1.00 97.33 6 A 1 ATOM 45 C CG1 . ILE A 1 6 ? -10.618 0.366 0.387 1.00 94.89 6 A 1 ATOM 46 C CG2 . ILE A 1 6 ? -9.089 0.830 -1.559 1.00 94.55 6 A 1 ATOM 47 C CD1 . ILE A 1 6 ? -11.964 0.564 -0.309 1.00 90.43 6 A 1 ATOM 48 N N . THR A 1 7 ? -7.169 3.400 0.213 1.00 97.71 7 A 1 ATOM 49 C CA . THR A 1 7 ? -6.094 4.241 -0.327 1.00 97.44 7 A 1 ATOM 50 C C . THR A 1 7 ? -4.793 4.047 0.449 1.00 97.41 7 A 1 ATOM 51 O O . THR A 1 7 ? -3.732 3.932 -0.158 1.00 96.91 7 A 1 ATOM 52 C CB . THR A 1 7 ? -6.504 5.719 -0.295 1.00 97.26 7 A 1 ATOM 53 O OG1 . THR A 1 7 ? -7.768 5.888 -0.900 1.00 91.58 7 A 1 ATOM 54 C CG2 . THR A 1 7 ? -5.535 6.594 -1.076 1.00 88.54 7 A 1 ATOM 55 N N . CYS A 1 8 ? -4.859 3.960 1.765 1.00 97.29 8 A 1 ATOM 56 C CA . CYS A 1 8 ? -3.682 3.745 2.606 1.00 96.90 8 A 1 ATOM 57 C C . CYS A 1 8 ? -3.066 2.354 2.374 1.00 96.90 8 A 1 ATOM 58 O O . CYS A 1 8 ? -1.852 2.227 2.249 1.00 96.07 8 A 1 ATOM 59 C CB . CYS A 1 8 ? -4.090 3.953 4.070 1.00 95.88 8 A 1 ATOM 60 S SG . CYS A 1 8 ? -2.630 4.304 5.069 1.00 87.53 8 A 1 ATOM 61 N N . ALA A 1 9 ? -3.890 1.323 2.254 1.00 97.04 9 A 1 ATOM 62 C CA . ALA A 1 9 ? -3.433 -0.036 1.974 1.00 97.21 9 A 1 ATOM 63 C C . ALA A 1 9 ? -2.789 -0.152 0.583 1.00 97.65 9 A 1 ATOM 64 O O . ALA A 1 9 ? -1.757 -0.804 0.440 1.00 97.16 9 A 1 ATOM 65 C CB . ALA A 1 9 ? -4.623 -0.990 2.116 1.00 96.89 9 A 1 ATOM 66 N N . LEU A 1 10 ? -3.362 0.504 -0.430 1.00 97.69 10 A 1 ATOM 67 C CA . LEU A 1 10 ? -2.803 0.543 -1.782 1.00 97.55 10 A 1 ATOM 68 C C . LEU A 1 10 ? -1.439 1.216 -1.807 1.00 97.64 10 A 1 ATOM 69 O O . LEU A 1 10 ? -0.515 0.683 -2.418 1.00 97.27 10 A 1 ATOM 70 C CB . LEU A 1 10 ? -3.780 1.277 -2.708 1.00 97.60 10 A 1 ATOM 71 C CG . LEU A 1 10 ? -4.668 0.309 -3.492 1.00 92.28 10 A 1 ATOM 72 C CD1 . LEU A 1 10 ? -5.954 0.994 -3.931 1.00 88.45 10 A 1 ATOM 73 C CD2 . LEU A 1 10 ? -3.934 -0.187 -4.738 1.00 90.22 10 A 1 ATOM 74 N N . LEU A 1 11 ? -1.292 2.346 -1.128 1.00 97.87 11 A 1 ATOM 75 C CA . LEU A 1 11 ? -0.031 3.077 -1.084 1.00 97.52 11 A 1 ATOM 76 C C . LEU A 1 11 ? 1.060 2.263 -0.391 1.00 97.51 11 A 1 ATOM 77 O O . LEU A 1 11 ? 2.147 2.103 -0.943 1.00 97.05 11 A 1 ATOM 78 C CB . LEU A 1 11 ? -0.245 4.427 -0.385 1.00 97.40 11 A 1 ATOM 79 C CG . LEU A 1 11 ? 0.591 5.537 -1.032 1.00 92.84 11 A 1 ATOM 80 C CD1 . LEU A 1 11 ? -0.263 6.321 -2.032 1.00 86.51 11 A 1 ATOM 81 C CD2 . LEU A 1 11 ? 1.112 6.504 0.021 1.00 88.67 11 A 1 ATOM 82 N N . SER A 1 12 ? 0.781 1.706 0.777 1.00 97.74 12 A 1 ATOM 83 C CA . SER A 1 12 ? 1.748 0.896 1.524 1.00 97.37 12 A 1 ATOM 84 C C . SER A 1 12 ? 2.133 -0.384 0.779 1.00 97.36 12 A 1 ATOM 85 O O . SER A 1 12 ? 3.307 -0.735 0.731 1.00 95.92 12 A 1 ATOM 86 C CB . SER A 1 12 ? 1.185 0.542 2.901 1.00 96.29 12 A 1 ATOM 87 O OG . SER A 1 12 ? 1.226 1.660 3.753 1.00 85.59 12 A 1 ATOM 88 N N . GLY A 1 13 ? 1.172 -1.066 0.173 1.00 96.51 13 A 1 ATOM 89 C CA . GLY A 1 13 ? 1.436 -2.279 -0.605 1.00 96.42 13 A 1 ATOM 90 C C . GLY A 1 13 ? 2.260 -2.006 -1.865 1.00 97.08 13 A 1 ATOM 91 O O . GLY A 1 13 ? 3.184 -2.755 -2.173 1.00 96.29 13 A 1 ATOM 92 N N . MET A 1 14 ? 1.963 -0.918 -2.583 1.00 96.88 14 A 1 ATOM 93 C CA . MET A 1 14 ? 2.708 -0.528 -3.784 1.00 96.93 14 A 1 ATOM 94 C C . MET A 1 14 ? 4.153 -0.154 -3.476 1.00 97.43 14 A 1 ATOM 95 O O . MET A 1 14 ? 5.043 -0.545 -4.220 1.00 96.27 14 A 1 ATOM 96 C CB . MET A 1 14 ? 2.013 0.648 -4.474 1.00 96.41 14 A 1 ATOM 97 C CG . MET A 1 14 ? 1.120 0.178 -5.605 1.00 91.23 14 A 1 ATOM 98 S SD . MET A 1 14 ? 2.059 -0.285 -7.065 1.00 83.30 14 A 1 ATOM 99 C CE . MET A 1 14 ? 0.870 0.142 -8.354 1.00 75.43 14 A 1 ATOM 100 N N . VAL A 1 15 ? 4.407 0.564 -2.393 1.00 97.82 15 A 1 ATOM 101 C CA . VAL A 1 15 ? 5.767 0.970 -2.012 1.00 97.59 15 A 1 ATOM 102 C C . VAL A 1 15 ? 6.645 -0.251 -1.755 1.00 97.69 15 A 1 ATOM 103 O O . VAL A 1 15 ? 7.743 -0.335 -2.297 1.00 97.15 15 A 1 ATOM 104 C CB . VAL A 1 15 ? 5.733 1.901 -0.788 1.00 97.03 15 A 1 ATOM 105 C CG1 . VAL A 1 15 ? 7.122 2.163 -0.217 1.00 93.39 15 A 1 ATOM 106 C CG2 . VAL A 1 15 ? 5.136 3.254 -1.165 1.00 94.14 15 A 1 ATOM 107 N N . VAL A 1 16 ? 6.164 -1.220 -0.986 1.00 97.98 16 A 1 ATOM 108 C CA . VAL A 1 16 ? 6.927 -2.442 -0.689 1.00 97.60 16 A 1 ATOM 109 C C . VAL A 1 16 ? 7.173 -3.253 -1.964 1.00 97.58 16 A 1 ATOM 110 O O . VAL A 1 16 ? 8.285 -3.724 -2.185 1.00 97.09 16 A 1 ATOM 111 C CB . VAL A 1 16 ? 6.202 -3.281 0.374 1.00 97.03 16 A 1 ATOM 112 C CG1 . VAL A 1 16 ? 6.925 -4.595 0.655 1.00 93.13 16 A 1 ATOM 113 C CG2 . VAL A 1 16 ? 6.106 -2.515 1.690 1.00 94.31 16 A 1 ATOM 114 N N . SER A 1 17 ? 6.171 -3.383 -2.823 1.00 97.75 17 A 1 ATOM 115 C CA . SER A 1 17 ? 6.289 -4.137 -4.072 1.00 97.57 17 A 1 ATOM 116 C C . SER A 1 17 ? 7.235 -3.466 -5.069 1.00 97.65 17 A 1 ATOM 117 O O . SER A 1 17 ? 8.010 -4.152 -5.726 1.00 97.02 17 A 1 ATOM 118 C CB . SER A 1 17 ? 4.909 -4.320 -4.693 1.00 96.99 17 A 1 ATOM 119 O OG . SER A 1 17 ? 4.959 -5.338 -5.666 1.00 84.27 17 A 1 ATOM 120 N N . GLN A 1 18 ? 7.217 -2.143 -5.182 1.00 97.19 18 A 1 ATOM 121 C CA . GLN A 1 18 ? 8.093 -1.412 -6.108 1.00 97.19 18 A 1 ATOM 122 C C . GLN A 1 18 ? 9.547 -1.393 -5.647 1.00 97.49 18 A 1 ATOM 123 O O . GLN A 1 18 ? 10.443 -1.454 -6.481 1.00 96.03 18 A 1 ATOM 124 C CB . GLN A 1 18 ? 7.598 0.021 -6.292 1.00 96.69 18 A 1 ATOM 125 C CG . GLN A 1 18 ? 6.463 0.095 -7.304 1.00 91.15 18 A 1 ATOM 126 C CD . GLN A 1 18 ? 6.145 1.542 -7.654 1.00 86.48 18 A 1 ATOM 127 O OE1 . GLN A 1 18 ? 6.883 2.231 -8.340 1.00 81.88 18 A 1 ATOM 128 N NE2 . GLN A 1 18 ? 5.041 2.068 -7.187 1.00 81.03 18 A 1 ATOM 129 N N . VAL A 1 19 ? 9.803 -1.329 -4.349 1.00 96.94 19 A 1 ATOM 130 C CA . VAL A 1 19 ? 11.178 -1.339 -3.814 1.00 96.90 19 A 1 ATOM 131 C C . VAL A 1 19 ? 11.827 -2.712 -3.994 1.00 97.18 19 A 1 ATOM 132 O O . VAL A 1 19 ? 13.032 -2.795 -4.224 1.00 96.46 19 A 1 ATOM 133 C CB . VAL A 1 19 ? 11.172 -0.908 -2.338 1.00 96.17 19 A 1 ATOM 134 C CG1 . VAL A 1 19 ? 12.527 -1.093 -1.659 1.00 92.05 19 A 1 ATOM 135 C CG2 . VAL A 1 19 ? 10.817 0.577 -2.221 1.00 92.52 19 A 1 ATOM 136 N N . TRP A 1 20 ? 11.040 -3.788 -3.898 1.00 96.12 20 A 1 ATOM 137 C CA . TRP A 1 20 ? 11.554 -5.154 -4.008 1.00 95.76 20 A 1 ATOM 138 C C . TRP A 1 20 ? 11.581 -5.686 -5.443 1.00 96.02 20 A 1 ATOM 139 O O . TRP A 1 20 ? 12.320 -6.618 -5.727 1.00 95.14 20 A 1 ATOM 140 C CB . TRP A 1 20 ? 10.738 -6.065 -3.091 1.00 95.28 20 A 1 ATOM 141 C CG . TRP A 1 20 ? 11.547 -6.643 -1.980 1.00 92.48 20 A 1 ATOM 142 C CD1 . TRP A 1 20 ? 11.614 -6.165 -0.722 1.00 88.02 20 A 1 ATOM 143 C CD2 . TRP A 1 20 ? 12.422 -7.812 -2.014 1.00 91.21 20 A 1 ATOM 144 N NE1 . TRP A 1 20 ? 12.471 -6.959 0.034 1.00 89.28 20 A 1 ATOM 145 C CE2 . TRP A 1 20 ? 12.985 -7.982 -0.722 1.00 91.65 20 A 1 ATOM 146 C CE3 . TRP A 1 20 ? 12.788 -8.738 -3.010 1.00 89.10 20 A 1 ATOM 147 C CZ2 . TRP A 1 20 ? 13.877 -9.034 -0.433 1.00 88.46 20 A 1 ATOM 148 C CZ3 . TRP A 1 20 ? 13.673 -9.783 -2.724 1.00 83.90 20 A 1 ATOM 149 C CH2 . TRP A 1 20 ? 14.214 -9.931 -1.451 1.00 84.52 20 A 1 ATOM 150 N N . ALA A 1 21 ? 10.803 -5.098 -6.341 1.00 94.02 21 A 1 ATOM 151 C CA . ALA A 1 21 ? 10.732 -5.509 -7.749 1.00 93.09 21 A 1 ATOM 152 C C . ALA A 1 21 ? 11.887 -4.924 -8.566 1.00 91.21 21 A 1 ATOM 153 O O . ALA A 1 21 ? 12.405 -5.643 -9.442 1.00 87.49 21 A 1 ATOM 154 C CB . ALA A 1 21 ? 9.377 -5.093 -8.322 1.00 89.77 21 A 1 ATOM 155 O OXT . ALA A 1 21 ? 12.249 -3.750 -8.348 1.00 79.86 21 A 1 #