# 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_spkb22328 # _entry.id spkb22328 # 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 "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "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" "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" "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 SER 3 1 n LEU 4 1 n ARG 5 1 n VAL 6 1 n LEU 7 1 n LEU 8 1 n VAL 9 1 n ILE 10 1 n LEU 11 1 n TRP 12 1 n LEU 13 1 n GLN 14 1 n LEU 15 1 n SER 16 1 n TRP 17 1 n VAL 18 1 n TRP 19 1 n SER 20 # _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 @ 2025-07-06 17:02:01)" _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 91.33 _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 85.65 1 1 A LYS 2 2 85.50 1 2 A SER 3 2 91.89 1 3 A LEU 4 2 91.65 1 4 A ARG 5 2 85.22 1 5 A VAL 6 2 95.97 1 6 A LEU 7 2 92.71 1 7 A LEU 8 2 93.48 1 8 A VAL 9 2 96.34 1 9 A ILE 10 2 95.37 1 10 A LEU 11 2 93.51 1 11 A TRP 12 2 90.64 1 12 A LEU 13 2 95.89 1 13 A GLN 14 2 92.32 1 14 A LEU 15 2 94.75 1 15 A SER 16 2 95.83 1 16 A TRP 17 2 91.24 1 17 A VAL 18 2 95.18 1 18 A TRP 19 2 88.60 1 19 A SER 20 2 82.29 1 20 # _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 SER . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n ILE . 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 GLN . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n TRP . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n TRP . 19 A 19 A 20 1 n SER . 20 A 20 # _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 ? -5.632 12.145 13.264 1.00 90.72 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.280 11.235 12.292 1.00 92.94 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.433 9.981 12.089 1.00 93.23 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.622 9.909 11.168 1.00 90.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.463 11.932 10.943 1.00 89.27 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.350 13.154 11.039 1.00 82.26 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.550 13.961 9.443 1.00 77.87 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.522 15.365 9.927 1.00 68.50 1 A 1 ATOM 9 N N . LYS A 1 2 ? -5.620 8.994 12.938 1.00 92.26 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -4.855 7.750 12.845 1.00 93.23 2 A 1 ATOM 11 C C . LYS A 1 2 ? -5.264 6.933 11.619 1.00 93.55 2 A 1 ATOM 12 O O . LYS A 1 2 ? -4.429 6.267 11.011 1.00 91.13 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -5.044 6.922 14.116 1.00 90.99 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -4.417 7.577 15.338 1.00 83.02 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -4.589 6.704 16.564 1.00 81.91 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -3.938 7.337 17.778 1.00 75.07 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -4.121 6.486 18.979 1.00 68.31 2 A 1 ATOM 18 N N . SER A 1 3 ? -6.545 6.992 11.258 1.00 93.50 3 A 1 ATOM 19 C CA . SER A 1 3 ? -7.063 6.252 10.110 1.00 95.28 3 A 1 ATOM 20 C C . SER A 1 3 ? -6.359 6.662 8.822 1.00 96.12 3 A 1 ATOM 21 O O . SER A 1 3 ? -5.986 5.812 8.013 1.00 94.10 3 A 1 ATOM 22 C CB . SER A 1 3 ? -8.571 6.473 9.967 1.00 92.44 3 A 1 ATOM 23 O OG . SER A 1 3 ? -9.248 6.158 11.158 1.00 79.91 3 A 1 ATOM 24 N N . LEU A 1 4 ? -6.160 7.957 8.643 1.00 94.99 4 A 1 ATOM 25 C CA . LEU A 1 4 ? -5.485 8.476 7.456 1.00 95.81 4 A 1 ATOM 26 C C . LEU A 1 4 ? -4.045 7.982 7.394 1.00 96.61 4 A 1 ATOM 27 O O . LEU A 1 4 ? -3.549 7.620 6.324 1.00 95.92 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -5.527 10.007 7.465 1.00 95.56 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -4.891 10.658 6.234 1.00 89.56 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? -5.634 10.260 4.963 1.00 82.19 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? -4.895 12.173 6.394 1.00 82.53 4 A 1 ATOM 32 N N . ARG A 1 5 ? -3.379 7.961 8.544 1.00 96.34 5 A 1 ATOM 33 C CA . ARG A 1 5 ? -1.990 7.516 8.624 1.00 96.53 5 A 1 ATOM 34 C C . ARG A 1 5 ? -1.869 6.047 8.239 1.00 96.99 5 A 1 ATOM 35 O O . ARG A 1 5 ? -0.966 5.672 7.492 1.00 95.93 5 A 1 ATOM 36 C CB . ARG A 1 5 ? -1.467 7.740 10.047 1.00 95.75 5 A 1 ATOM 37 C CG . ARG A 1 5 ? 0.030 7.497 10.173 1.00 88.58 5 A 1 ATOM 38 C CD . ARG A 1 5 ? 0.827 8.609 9.520 1.00 84.98 5 A 1 ATOM 39 N NE . ARG A 1 5 ? 2.271 8.332 9.557 1.00 77.96 5 A 1 ATOM 40 C CZ . ARG A 1 5 ? 2.921 7.640 8.620 1.00 73.20 5 A 1 ATOM 41 N NH1 . ARG A 1 5 ? 2.277 7.150 7.584 1.00 66.66 5 A 1 ATOM 42 N NH2 . ARG A 1 5 ? 4.219 7.433 8.730 1.00 64.46 5 A 1 ATOM 43 N N . VAL A 1 6 ? -2.778 5.222 8.739 1.00 96.92 6 A 1 ATOM 44 C CA . VAL A 1 6 ? -2.782 3.788 8.439 1.00 97.03 6 A 1 ATOM 45 C C . VAL A 1 6 ? -3.035 3.553 6.952 1.00 97.38 6 A 1 ATOM 46 O O . VAL A 1 6 ? -2.359 2.735 6.323 1.00 96.88 6 A 1 ATOM 47 C CB . VAL A 1 6 ? -3.840 3.055 9.282 1.00 96.35 6 A 1 ATOM 48 C CG1 . VAL A 1 6 ? -3.931 1.589 8.888 1.00 93.57 6 A 1 ATOM 49 C CG2 . VAL A 1 6 ? -3.503 3.179 10.758 1.00 93.64 6 A 1 ATOM 50 N N . LEU A 1 7 ? -3.992 4.271 6.391 1.00 96.13 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -4.315 4.141 4.972 1.00 96.14 7 A 1 ATOM 52 C C . LEU A 1 7 ? -3.116 4.507 4.103 1.00 96.76 7 A 1 ATOM 53 O O . LEU A 1 7 ? -2.865 3.864 3.082 1.00 96.84 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -5.504 5.042 4.621 1.00 96.45 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -6.838 4.569 5.197 1.00 88.61 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -7.901 5.646 5.019 1.00 83.86 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -7.293 3.286 4.518 1.00 86.87 7 A 1 ATOM 58 N N . LEU A 1 8 ? -2.383 5.515 4.507 1.00 96.73 8 A 1 ATOM 59 C CA . LEU A 1 8 ? -1.198 5.956 3.779 1.00 96.90 8 A 1 ATOM 60 C C . LEU A 1 8 ? -0.136 4.863 3.758 1.00 97.27 8 A 1 ATOM 61 O O . LEU A 1 8 ? 0.479 4.610 2.720 1.00 97.40 8 A 1 ATOM 62 C CB . LEU A 1 8 ? -0.642 7.222 4.425 1.00 96.91 8 A 1 ATOM 63 C CG . LEU A 1 8 ? 0.544 7.822 3.677 1.00 90.05 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? 0.129 8.307 2.292 1.00 84.96 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? 1.126 8.975 4.483 1.00 87.59 8 A 1 ATOM 66 N N . VAL A 1 9 ? 0.075 4.208 4.885 1.00 97.30 9 A 1 ATOM 67 C CA . VAL A 1 9 ? 1.061 3.130 4.991 1.00 97.21 9 A 1 ATOM 68 C C . VAL A 1 9 ? 0.664 1.946 4.116 1.00 97.54 9 A 1 ATOM 69 O O . VAL A 1 9 ? 1.505 1.371 3.420 1.00 97.12 9 A 1 ATOM 70 C CB . VAL A 1 9 ? 1.223 2.679 6.450 1.00 96.75 9 A 1 ATOM 71 C CG1 . VAL A 1 9 ? 2.157 1.478 6.541 1.00 94.37 9 A 1 ATOM 72 C CG2 . VAL A 1 9 ? 1.769 3.821 7.291 1.00 94.06 9 A 1 ATOM 73 N N . ILE A 1 10 ? -0.602 1.589 4.147 1.00 96.98 10 A 1 ATOM 74 C CA . ILE A 1 10 ? -1.101 0.472 3.344 1.00 96.74 10 A 1 ATOM 75 C C . ILE A 1 10 ? -0.932 0.774 1.856 1.00 96.95 10 A 1 ATOM 76 O O . ILE A 1 10 ? -0.502 -0.087 1.082 1.00 96.57 10 A 1 ATOM 77 C CB . ILE A 1 10 ? -2.581 0.182 3.676 1.00 96.59 10 A 1 ATOM 78 C CG1 . ILE A 1 10 ? -2.717 -0.302 5.123 1.00 94.97 10 A 1 ATOM 79 C CG2 . ILE A 1 10 ? -3.146 -0.870 2.719 1.00 94.46 10 A 1 ATOM 80 C CD1 . ILE A 1 10 ? -4.157 -0.356 5.608 1.00 89.67 10 A 1 ATOM 81 N N . LEU A 1 11 ? -1.266 1.978 1.466 1.00 96.96 11 A 1 ATOM 82 C CA . LEU A 1 11 ? -1.139 2.398 0.073 1.00 96.59 11 A 1 ATOM 83 C C . LEU A 1 11 ? 0.316 2.334 -0.378 1.00 96.96 11 A 1 ATOM 84 O O . LEU A 1 11 ? 0.616 1.839 -1.467 1.00 97.07 11 A 1 ATOM 85 C CB . LEU A 1 11 ? -1.680 3.822 -0.081 1.00 96.65 11 A 1 ATOM 86 C CG . LEU A 1 11 ? -1.636 4.352 -1.516 1.00 90.65 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? -2.534 3.520 -2.430 1.00 85.07 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? -2.079 5.808 -1.537 1.00 88.10 11 A 1 ATOM 89 N N . TRP A 1 12 ? 1.218 2.820 0.462 1.00 97.23 12 A 1 ATOM 90 C CA . TRP A 1 12 ? 2.649 2.812 0.155 1.00 97.39 12 A 1 ATOM 91 C C . TRP A 1 12 ? 3.180 1.386 0.057 1.00 97.54 12 A 1 ATOM 92 O O . TRP A 1 12 ? 3.999 1.086 -0.814 1.00 96.77 12 A 1 ATOM 93 C CB . TRP A 1 12 ? 3.410 3.589 1.227 1.00 97.16 12 A 1 ATOM 94 C CG . TRP A 1 12 ? 4.829 3.845 0.843 1.00 93.75 12 A 1 ATOM 95 C CD1 . TRP A 1 12 ? 5.284 4.864 0.073 1.00 86.76 12 A 1 ATOM 96 C CD2 . TRP A 1 12 ? 5.979 3.060 1.187 1.00 90.93 12 A 1 ATOM 97 N NE1 . TRP A 1 12 ? 6.645 4.761 -0.082 1.00 85.57 12 A 1 ATOM 98 C CE2 . TRP A 1 12 ? 7.108 3.663 0.593 1.00 90.73 12 A 1 ATOM 99 C CE3 . TRP A 1 12 ? 6.166 1.897 1.947 1.00 86.26 12 A 1 ATOM 100 C CZ2 . TRP A 1 12 ? 8.394 3.138 0.739 1.00 87.46 12 A 1 ATOM 101 C CZ3 . TRP A 1 12 ? 7.450 1.372 2.094 1.00 80.68 12 A 1 ATOM 102 C CH2 . TRP A 1 12 ? 8.547 1.994 1.491 1.00 80.71 12 A 1 ATOM 103 N N . LEU A 1 13 ? 2.712 0.516 0.921 1.00 98.00 13 A 1 ATOM 104 C CA . LEU A 1 13 ? 3.136 -0.880 0.921 1.00 97.76 13 A 1 ATOM 105 C C . LEU A 1 13 ? 2.737 -1.564 -0.384 1.00 97.83 13 A 1 ATOM 106 O O . LEU A 1 13 ? 3.543 -2.265 -0.995 1.00 97.22 13 A 1 ATOM 107 C CB . LEU A 1 13 ? 2.512 -1.608 2.111 1.00 97.57 13 A 1 ATOM 108 C CG . LEU A 1 13 ? 2.940 -3.068 2.242 1.00 95.41 13 A 1 ATOM 109 C CD1 . LEU A 1 13 ? 4.435 -3.181 2.489 1.00 91.21 13 A 1 ATOM 110 C CD2 . LEU A 1 13 ? 2.169 -3.727 3.377 1.00 92.11 13 A 1 ATOM 111 N N . GLN A 1 14 ? 1.511 -1.363 -0.811 1.00 97.80 14 A 1 ATOM 112 C CA . GLN A 1 14 ? 1.021 -1.960 -2.052 1.00 97.66 14 A 1 ATOM 113 C C . GLN A 1 14 ? 1.779 -1.414 -3.254 1.00 97.80 14 A 1 ATOM 114 O O . GLN A 1 14 ? 2.162 -2.167 -4.152 1.00 96.42 14 A 1 ATOM 115 C CB . GLN A 1 14 ? -0.475 -1.677 -2.207 1.00 97.13 14 A 1 ATOM 116 C CG . GLN A 1 14 ? -1.317 -2.442 -1.196 1.00 92.79 14 A 1 ATOM 117 C CD . GLN A 1 14 ? -2.788 -2.127 -1.349 1.00 88.17 14 A 1 ATOM 118 O OE1 . GLN A 1 14 ? -3.530 -2.853 -1.995 1.00 83.60 14 A 1 ATOM 119 N NE2 . GLN A 1 14 ? -3.228 -1.028 -0.774 1.00 79.55 14 A 1 ATOM 120 N N . LEU A 1 15 ? 2.006 -0.125 -3.268 1.00 97.57 15 A 1 ATOM 121 C CA . LEU A 1 15 ? 2.729 0.520 -4.355 1.00 97.26 15 A 1 ATOM 122 C C . LEU A 1 15 ? 4.159 -0.003 -4.438 1.00 97.35 15 A 1 ATOM 123 O O . LEU A 1 15 ? 4.645 -0.328 -5.524 1.00 96.74 15 A 1 ATOM 124 C CB . LEU A 1 15 ? 2.725 2.034 -4.141 1.00 97.01 15 A 1 ATOM 125 C CG . LEU A 1 15 ? 3.293 2.821 -5.318 1.00 94.11 15 A 1 ATOM 126 C CD1 . LEU A 1 15 ? 2.406 2.684 -6.550 1.00 88.47 15 A 1 ATOM 127 C CD2 . LEU A 1 15 ? 3.425 4.289 -4.929 1.00 89.51 15 A 1 ATOM 128 N N . SER A 1 16 ? 4.829 -0.103 -3.308 1.00 97.84 16 A 1 ATOM 129 C CA . SER A 1 16 ? 6.201 -0.595 -3.249 1.00 97.62 16 A 1 ATOM 130 C C . SER A 1 16 ? 6.281 -2.065 -3.644 1.00 97.62 16 A 1 ATOM 131 O O . SER A 1 16 ? 7.217 -2.480 -4.321 1.00 96.53 16 A 1 ATOM 132 C CB . SER A 1 16 ? 6.762 -0.409 -1.845 1.00 96.87 16 A 1 ATOM 133 O OG . SER A 1 16 ? 6.791 0.962 -1.513 1.00 88.49 16 A 1 ATOM 134 N N . TRP A 1 17 ? 5.289 -2.853 -3.236 1.00 97.01 17 A 1 ATOM 135 C CA . TRP A 1 17 ? 5.254 -4.281 -3.550 1.00 96.88 17 A 1 ATOM 136 C C . TRP A 1 17 ? 5.163 -4.514 -5.058 1.00 97.09 17 A 1 ATOM 137 O O . TRP A 1 17 ? 5.778 -5.441 -5.584 1.00 95.65 17 A 1 ATOM 138 C CB . TRP A 1 17 ? 4.071 -4.939 -2.841 1.00 96.14 17 A 1 ATOM 139 C CG . TRP A 1 17 ? 4.130 -6.429 -2.855 1.00 92.91 17 A 1 ATOM 140 C CD1 . TRP A 1 17 ? 4.911 -7.209 -2.065 1.00 87.45 17 A 1 ATOM 141 C CD2 . TRP A 1 17 ? 3.400 -7.329 -3.705 1.00 90.63 17 A 1 ATOM 142 N NE1 . TRP A 1 17 ? 4.709 -8.538 -2.369 1.00 88.41 17 A 1 ATOM 143 C CE2 . TRP A 1 17 ? 3.784 -8.648 -3.372 1.00 91.13 17 A 1 ATOM 144 C CE3 . TRP A 1 17 ? 2.450 -7.147 -4.720 1.00 88.52 17 A 1 ATOM 145 C CZ2 . TRP A 1 17 ? 3.250 -9.764 -4.020 1.00 88.13 17 A 1 ATOM 146 C CZ3 . TRP A 1 17 ? 1.918 -8.262 -5.367 1.00 83.80 17 A 1 ATOM 147 C CH2 . TRP A 1 17 ? 2.318 -9.554 -5.017 1.00 83.55 17 A 1 ATOM 148 N N . VAL A 1 18 ? 4.427 -3.665 -5.747 1.00 97.34 18 A 1 ATOM 149 C CA . VAL A 1 18 ? 4.271 -3.784 -7.198 1.00 97.00 18 A 1 ATOM 150 C C . VAL A 1 18 ? 5.484 -3.221 -7.940 1.00 97.14 18 A 1 ATOM 151 O O . VAL A 1 18 ? 5.971 -3.833 -8.893 1.00 96.24 18 A 1 ATOM 152 C CB . VAL A 1 18 ? 2.996 -3.069 -7.665 1.00 96.11 18 A 1 ATOM 153 C CG1 . VAL A 1 18 ? 2.875 -3.136 -9.183 1.00 91.40 18 A 1 ATOM 154 C CG2 . VAL A 1 18 ? 1.771 -3.690 -7.026 1.00 91.06 18 A 1 ATOM 155 N N . TRP A 1 19 ? 5.950 -2.061 -7.513 1.00 96.05 19 A 1 ATOM 156 C CA . TRP A 1 19 ? 7.081 -1.399 -8.167 1.00 95.69 19 A 1 ATOM 157 C C . TRP A 1 19 ? 8.442 -1.870 -7.656 1.00 95.28 19 A 1 ATOM 158 O O . TRP A 1 19 ? 9.460 -1.542 -8.254 1.00 93.01 19 A 1 ATOM 159 C CB . TRP A 1 19 ? 6.951 0.115 -8.006 1.00 94.70 19 A 1 ATOM 160 C CG . TRP A 1 19 ? 6.319 0.774 -9.196 1.00 89.80 19 A 1 ATOM 161 C CD1 . TRP A 1 19 ? 6.965 1.427 -10.189 1.00 85.00 19 A 1 ATOM 162 C CD2 . TRP A 1 19 ? 4.932 0.834 -9.537 1.00 88.68 19 A 1 ATOM 163 N NE1 . TRP A 1 19 ? 6.073 1.892 -11.123 1.00 85.21 19 A 1 ATOM 164 C CE2 . TRP A 1 19 ? 4.811 1.547 -10.760 1.00 88.85 19 A 1 ATOM 165 C CE3 . TRP A 1 19 ? 3.773 0.356 -8.932 1.00 84.56 19 A 1 ATOM 166 C CZ2 . TRP A 1 19 ? 3.579 1.785 -11.365 1.00 84.44 19 A 1 ATOM 167 C CZ3 . TRP A 1 19 ? 2.548 0.590 -9.538 1.00 79.79 19 A 1 ATOM 168 C CH2 . TRP A 1 19 ? 2.451 1.297 -10.736 1.00 79.27 19 A 1 ATOM 169 N N . SER A 1 20 ? 8.468 -2.629 -6.587 1.00 91.63 20 A 1 ATOM 170 C CA . SER A 1 20 ? 9.719 -3.105 -6.010 1.00 88.80 20 A 1 ATOM 171 C C . SER A 1 20 ? 9.799 -4.624 -6.060 1.00 84.07 20 A 1 ATOM 172 O O . SER A 1 20 ? 10.061 -5.259 -5.020 1.00 77.93 20 A 1 ATOM 173 C CB . SER A 1 20 ? 9.881 -2.618 -4.579 1.00 83.18 20 A 1 ATOM 174 O OG . SER A 1 20 ? 11.142 -3.005 -4.068 1.00 74.09 20 A 1 ATOM 175 O OXT . SER A 1 20 ? 9.597 -5.177 -7.179 1.00 76.33 20 A 1 #