# 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_spkb43344 # _entry.id spkb43344 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[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" "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 ARG 2 1 n PRO 3 1 n VAL 4 1 n SER 5 1 n VAL 6 1 n ILE 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n ALA 11 1 n LEU 12 1 n ILE 13 1 n ALA 14 1 n LEU 15 1 n ILE 16 1 n TYR 17 1 n ALA 18 # _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 @ 2025-07-08 20:09:05)" _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 96.22 _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 89.25 1 1 A ARG 2 2 89.15 1 2 A PRO 3 2 97.24 1 3 A VAL 4 2 97.36 1 4 A SER 5 2 97.25 1 5 A VAL 6 2 98.24 1 6 A ILE 7 2 97.84 1 7 A LEU 8 2 96.94 1 8 A PHE 9 2 97.11 1 9 A LEU 10 2 97.04 1 10 A ALA 11 2 98.73 1 11 A LEU 12 2 97.07 1 12 A ILE 13 2 97.64 1 13 A ALA 14 2 98.81 1 14 A LEU 15 2 97.49 1 15 A ILE 16 2 97.73 1 16 A TYR 17 2 96.09 1 17 A ALA 18 2 95.94 1 18 # _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 ARG . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n TYR . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -14.031 -1.153 9.512 1.00 94.49 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.927 -0.950 8.566 1.00 94.54 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.327 -2.287 8.141 1.00 95.25 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.621 -3.327 8.731 1.00 92.60 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.831 -0.098 9.203 1.00 91.56 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.323 1.278 9.620 1.00 88.71 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.035 2.232 10.436 1.00 83.67 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.910 3.754 10.734 1.00 73.16 1 A 1 ATOM 9 N N . ARG A 1 2 ? -11.469 -2.260 7.118 1.00 95.36 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -10.808 -3.468 6.626 1.00 96.95 2 A 1 ATOM 11 C C . ARG A 1 2 ? -9.287 -3.304 6.727 1.00 97.69 2 A 1 ATOM 12 O O . ARG A 1 2 ? -8.696 -2.578 5.927 1.00 97.06 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -11.221 -3.738 5.183 1.00 95.28 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -12.719 -3.909 5.017 1.00 89.87 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -13.079 -4.247 3.583 1.00 88.18 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -12.685 -5.609 3.236 1.00 83.85 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -12.842 -6.140 2.022 1.00 82.26 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -13.367 -5.436 1.042 1.00 77.30 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -12.463 -7.390 1.802 1.00 76.89 2 A 1 ATOM 20 N N . PRO A 1 3 ? -8.646 -3.960 7.691 1.00 97.38 3 A 1 ATOM 21 C CA . PRO A 1 3 ? -7.198 -3.841 7.919 1.00 97.99 3 A 1 ATOM 22 C C . PRO A 1 3 ? -6.358 -4.344 6.750 1.00 98.42 3 A 1 ATOM 23 O O . PRO A 1 3 ? -5.240 -3.865 6.538 1.00 98.06 3 A 1 ATOM 24 C CB . PRO A 1 3 ? -6.957 -4.682 9.180 1.00 97.06 3 A 1 ATOM 25 C CG . PRO A 1 3 ? -8.083 -5.659 9.200 1.00 95.10 3 A 1 ATOM 26 C CD . PRO A 1 3 ? -9.260 -4.926 8.607 1.00 96.65 3 A 1 ATOM 27 N N . VAL A 1 4 ? -6.887 -5.295 5.978 1.00 98.16 4 A 1 ATOM 28 C CA . VAL A 1 4 ? -6.157 -5.850 4.835 1.00 98.36 4 A 1 ATOM 29 C C . VAL A 1 4 ? -5.813 -4.760 3.822 1.00 98.54 4 A 1 ATOM 30 O O . VAL A 1 4 ? -4.686 -4.693 3.324 1.00 98.21 4 A 1 ATOM 31 C CB . VAL A 1 4 ? -6.977 -6.957 4.157 1.00 97.96 4 A 1 ATOM 32 C CG1 . VAL A 1 4 ? -6.227 -7.510 2.955 1.00 95.37 4 A 1 ATOM 33 C CG2 . VAL A 1 4 ? -7.280 -8.068 5.146 1.00 94.93 4 A 1 ATOM 34 N N . SER A 1 5 ? -6.760 -3.893 3.526 1.00 98.43 5 A 1 ATOM 35 C CA . SER A 1 5 ? -6.549 -2.814 2.565 1.00 98.58 5 A 1 ATOM 36 C C . SER A 1 5 ? -5.494 -1.830 3.059 1.00 98.70 5 A 1 ATOM 37 O O . SER A 1 5 ? -4.681 -1.340 2.279 1.00 98.53 5 A 1 ATOM 38 C CB . SER A 1 5 ? -7.856 -2.079 2.306 1.00 98.24 5 A 1 ATOM 39 O OG . SER A 1 5 ? -8.820 -2.968 1.778 1.00 90.99 5 A 1 ATOM 40 N N . VAL A 1 6 ? -5.499 -1.545 4.358 1.00 98.67 6 A 1 ATOM 41 C CA . VAL A 1 6 ? -4.535 -0.619 4.955 1.00 98.72 6 A 1 ATOM 42 C C . VAL A 1 6 ? -3.113 -1.164 4.827 1.00 98.77 6 A 1 ATOM 43 O O . VAL A 1 6 ? -2.181 -0.431 4.497 1.00 98.64 6 A 1 ATOM 44 C CB . VAL A 1 6 ? -4.866 -0.361 6.428 1.00 98.52 6 A 1 ATOM 45 C CG1 . VAL A 1 6 ? -3.833 0.565 7.053 1.00 97.34 6 A 1 ATOM 46 C CG2 . VAL A 1 6 ? -6.255 0.235 6.556 1.00 97.05 6 A 1 ATOM 47 N N . ILE A 1 7 ? -2.950 -2.449 5.094 1.00 98.73 7 A 1 ATOM 48 C CA . ILE A 1 7 ? -1.635 -3.083 5.019 1.00 98.71 7 A 1 ATOM 49 C C . ILE A 1 7 ? -1.095 -3.022 3.590 1.00 98.73 7 A 1 ATOM 50 O O . ILE A 1 7 ? 0.073 -2.689 3.371 1.00 98.61 7 A 1 ATOM 51 C CB . ILE A 1 7 ? -1.708 -4.545 5.498 1.00 98.61 7 A 1 ATOM 52 C CG1 . ILE A 1 7 ? -2.067 -4.590 6.990 1.00 97.65 7 A 1 ATOM 53 C CG2 . ILE A 1 7 ? -0.371 -5.253 5.262 1.00 97.42 7 A 1 ATOM 54 C CD1 . ILE A 1 7 ? -2.439 -5.975 7.472 1.00 94.25 7 A 1 ATOM 55 N N . LEU A 1 8 ? -1.936 -3.337 2.619 1.00 98.66 8 A 1 ATOM 56 C CA . LEU A 1 8 ? -1.529 -3.315 1.216 1.00 98.64 8 A 1 ATOM 57 C C . LEU A 1 8 ? -1.187 -1.896 0.771 1.00 98.68 8 A 1 ATOM 58 O O . LEU A 1 8 ? -0.208 -1.679 0.053 1.00 98.60 8 A 1 ATOM 59 C CB . LEU A 1 8 ? -2.649 -3.882 0.338 1.00 98.51 8 A 1 ATOM 60 C CG . LEU A 1 8 ? -2.895 -5.380 0.524 1.00 95.08 8 A 1 ATOM 61 C CD1 . LEU A 1 8 ? -4.149 -5.801 -0.234 1.00 93.21 8 A 1 ATOM 62 C CD2 . LEU A 1 8 ? -1.699 -6.184 0.031 1.00 94.12 8 A 1 ATOM 63 N N . PHE A 1 9 ? -1.977 -0.932 1.205 1.00 98.61 9 A 1 ATOM 64 C CA . PHE A 1 9 ? -1.752 0.464 0.851 1.00 98.64 9 A 1 ATOM 65 C C . PHE A 1 9 ? -0.425 0.955 1.420 1.00 98.71 9 A 1 ATOM 66 O O . PHE A 1 9 ? 0.355 1.615 0.734 1.00 98.63 9 A 1 ATOM 67 C CB . PHE A 1 9 ? -2.906 1.318 1.371 1.00 98.50 9 A 1 ATOM 68 C CG . PHE A 1 9 ? -3.115 2.567 0.557 1.00 97.61 9 A 1 ATOM 69 C CD1 . PHE A 1 9 ? -3.783 2.510 -0.655 1.00 95.81 9 A 1 ATOM 70 C CD2 . PHE A 1 9 ? -2.643 3.785 1.009 1.00 96.14 9 A 1 ATOM 71 C CE1 . PHE A 1 9 ? -3.976 3.656 -1.412 1.00 95.09 9 A 1 ATOM 72 C CE2 . PHE A 1 9 ? -2.828 4.940 0.253 1.00 95.10 9 A 1 ATOM 73 C CZ . PHE A 1 9 ? -3.496 4.874 -0.957 1.00 95.33 9 A 1 ATOM 74 N N . LEU A 1 10 ? -0.166 0.634 2.683 1.00 98.61 10 A 1 ATOM 75 C CA . LEU A 1 10 ? 1.078 1.032 3.337 1.00 98.58 10 A 1 ATOM 76 C C . LEU A 1 10 ? 2.277 0.388 2.649 1.00 98.70 10 A 1 ATOM 77 O O . LEU A 1 10 ? 3.335 1.008 2.514 1.00 98.66 10 A 1 ATOM 78 C CB . LEU A 1 10 ? 1.040 0.631 4.811 1.00 98.35 10 A 1 ATOM 79 C CG . LEU A 1 10 ? 2.254 1.086 5.613 1.00 95.18 10 A 1 ATOM 80 C CD1 . LEU A 1 10 ? 2.375 2.604 5.601 1.00 93.78 10 A 1 ATOM 81 C CD2 . LEU A 1 10 ? 2.155 0.583 7.044 1.00 94.43 10 A 1 ATOM 82 N N . ALA A 1 11 ? 2.123 -0.864 2.212 1.00 98.74 11 A 1 ATOM 83 C CA . ALA A 1 11 ? 3.193 -1.576 1.521 1.00 98.76 11 A 1 ATOM 84 C C . ALA A 1 11 ? 3.547 -0.886 0.202 1.00 98.82 11 A 1 ATOM 85 O O . ALA A 1 11 ? 4.723 -0.767 -0.146 1.00 98.69 11 A 1 ATOM 86 C CB . ALA A 1 11 ? 2.775 -3.022 1.266 1.00 98.62 11 A 1 ATOM 87 N N . LEU A 1 12 ? 2.540 -0.415 -0.520 1.00 98.77 12 A 1 ATOM 88 C CA . LEU A 1 12 ? 2.763 0.282 -1.783 1.00 98.77 12 A 1 ATOM 89 C C . LEU A 1 12 ? 3.502 1.595 -1.552 1.00 98.84 12 A 1 ATOM 90 O O . LEU A 1 12 ? 4.418 1.943 -2.299 1.00 98.74 12 A 1 ATOM 91 C CB . LEU A 1 12 ? 1.424 0.551 -2.472 1.00 98.60 12 A 1 ATOM 92 C CG . LEU A 1 12 ? 0.749 -0.700 -3.032 1.00 95.56 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? -0.679 -0.382 -3.467 1.00 93.16 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? 1.542 -1.243 -4.220 1.00 94.14 12 A 1 ATOM 95 N N . ILE A 1 13 ? 3.119 2.324 -0.511 1.00 98.74 13 A 1 ATOM 96 C CA . ILE A 1 13 ? 3.760 3.590 -0.172 1.00 98.68 13 A 1 ATOM 97 C C . ILE A 1 13 ? 5.229 3.349 0.170 1.00 98.77 13 A 1 ATOM 98 O O . ILE A 1 13 ? 6.113 4.080 -0.282 1.00 98.66 13 A 1 ATOM 99 C CB . ILE A 1 13 ? 3.040 4.265 1.005 1.00 98.38 13 A 1 ATOM 100 C CG1 . ILE A 1 13 ? 1.624 4.675 0.589 1.00 97.03 13 A 1 ATOM 101 C CG2 . ILE A 1 13 ? 3.828 5.494 1.471 1.00 97.06 13 A 1 ATOM 102 C CD1 . ILE A 1 13 ? 0.754 5.104 1.753 1.00 93.82 13 A 1 ATOM 103 N N . ALA A 1 14 ? 5.490 2.320 0.972 1.00 98.86 14 A 1 ATOM 104 C CA . ALA A 1 14 ? 6.855 1.986 1.365 1.00 98.85 14 A 1 ATOM 105 C C . ALA A 1 14 ? 7.709 1.643 0.145 1.00 98.88 14 A 1 ATOM 106 O O . ALA A 1 14 ? 8.885 1.998 0.085 1.00 98.75 14 A 1 ATOM 107 C CB . ALA A 1 14 ? 6.842 0.815 2.340 1.00 98.73 14 A 1 ATOM 108 N N . LEU A 1 15 ? 7.121 0.966 -0.826 1.00 98.86 15 A 1 ATOM 109 C CA . LEU A 1 15 ? 7.831 0.585 -2.045 1.00 98.85 15 A 1 ATOM 110 C C . LEU A 1 15 ? 8.254 1.813 -2.847 1.00 98.86 15 A 1 ATOM 111 O O . LEU A 1 15 ? 9.362 1.861 -3.385 1.00 98.68 15 A 1 ATOM 112 C CB . LEU A 1 15 ? 6.944 -0.322 -2.898 1.00 98.71 15 A 1 ATOM 113 C CG . LEU A 1 15 ? 7.608 -0.843 -4.171 1.00 97.05 15 A 1 ATOM 114 C CD1 . LEU A 1 15 ? 8.802 -1.726 -3.833 1.00 94.20 15 A 1 ATOM 115 C CD2 . LEU A 1 15 ? 6.600 -1.624 -5.002 1.00 94.73 15 A 1 ATOM 116 N N . ILE A 1 16 ? 7.384 2.802 -2.925 1.00 98.79 16 A 1 ATOM 117 C CA . ILE A 1 16 ? 7.664 4.028 -3.673 1.00 98.71 16 A 1 ATOM 118 C C . ILE A 1 16 ? 8.642 4.927 -2.923 1.00 98.74 16 A 1 ATOM 119 O O . ILE A 1 16 ? 9.511 5.560 -3.531 1.00 98.45 16 A 1 ATOM 120 C CB . ILE A 1 16 ? 6.356 4.783 -3.962 1.00 98.44 16 A 1 ATOM 121 C CG1 . ILE A 1 16 ? 5.449 3.940 -4.863 1.00 97.15 16 A 1 ATOM 122 C CG2 . ILE A 1 16 ? 6.651 6.129 -4.621 1.00 96.75 16 A 1 ATOM 123 C CD1 . ILE A 1 16 ? 4.027 4.455 -4.931 1.00 94.84 16 A 1 ATOM 124 N N . TYR A 1 17 ? 8.493 4.986 -1.608 1.00 98.71 17 A 1 ATOM 125 C CA . TYR A 1 17 ? 9.317 5.861 -0.779 1.00 98.65 17 A 1 ATOM 126 C C . TYR A 1 17 ? 10.595 5.174 -0.281 1.00 98.67 17 A 1 ATOM 127 O O . TYR A 1 17 ? 11.243 5.670 0.639 1.00 98.38 17 A 1 ATOM 128 C CB . TYR A 1 17 ? 8.496 6.371 0.413 1.00 98.38 17 A 1 ATOM 129 C CG . TYR A 1 17 ? 7.501 7.448 0.032 1.00 96.66 17 A 1 ATOM 130 C CD1 . TYR A 1 17 ? 6.315 7.128 -0.607 1.00 94.65 17 A 1 ATOM 131 C CD2 . TYR A 1 17 ? 7.760 8.783 0.329 1.00 94.64 17 A 1 ATOM 132 C CE1 . TYR A 1 17 ? 5.405 8.115 -0.959 1.00 94.17 17 A 1 ATOM 133 C CE2 . TYR A 1 17 ? 6.854 9.778 -0.014 1.00 93.73 17 A 1 ATOM 134 C CZ . TYR A 1 17 ? 5.677 9.438 -0.662 1.00 93.98 17 A 1 ATOM 135 O OH . TYR A 1 17 ? 4.780 10.416 -1.007 1.00 92.49 17 A 1 ATOM 136 N N . ALA A 1 18 ? 10.967 4.047 -0.878 1.00 98.25 18 A 1 ATOM 137 C CA . ALA A 1 18 ? 12.156 3.301 -0.465 1.00 97.77 18 A 1 ATOM 138 C C . ALA A 1 18 ? 12.903 2.731 -1.666 1.00 97.26 18 A 1 ATOM 139 O O . ALA A 1 18 ? 13.879 1.989 -1.467 1.00 95.50 18 A 1 ATOM 140 C CB . ALA A 1 18 ? 11.761 2.184 0.499 1.00 96.71 18 A 1 ATOM 141 O OXT . ALA A 1 18 ? 12.548 3.043 -2.829 1.00 90.18 18 A 1 #