# 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_spkb32862 # _entry.id spkb32862 # 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" "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" "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" "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 ILE 3 1 n VAL 4 1 n TYR 5 1 n LEU 6 1 n LEU 7 1 n ILE 8 1 n PRO 9 1 n PHE 10 1 n PHE 11 1 n LEU 12 1 n LEU 13 1 n PHE 14 1 n LEU 15 1 n GLN 16 1 n GLY 17 1 n ALA 18 1 n ALA 19 1 n GLY 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 @ 2025-07-12 09:14:17)" _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 93.73 _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 85.03 1 1 A ARG 2 2 83.79 1 2 A ILE 3 2 93.55 1 3 A VAL 4 2 96.52 1 4 A TYR 5 2 94.82 1 5 A LEU 6 2 94.90 1 6 A LEU 7 2 94.73 1 7 A ILE 8 2 96.71 1 8 A PRO 9 2 97.79 1 9 A PHE 10 2 95.45 1 10 A PHE 11 2 95.21 1 11 A LEU 12 2 96.65 1 12 A LEU 13 2 96.08 1 13 A PHE 14 2 95.73 1 14 A LEU 15 2 96.27 1 15 A GLN 16 2 92.83 1 16 A GLY 17 2 95.77 1 17 A ALA 18 2 95.24 1 18 A ALA 19 2 93.33 1 19 A GLY 20 2 84.46 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 ARG . 2 A 2 A 3 1 n ILE . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n GLY . 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 ? -13.894 -3.691 -9.196 1.00 93.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.845 -4.110 -8.243 1.00 93.72 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.039 -2.900 -7.782 1.00 93.34 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.651 -2.071 -8.599 1.00 87.25 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.912 -5.119 -8.914 1.00 88.13 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.563 -6.490 -9.027 1.00 80.84 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.551 -7.650 -9.956 1.00 76.68 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.396 -9.183 -9.572 1.00 66.71 1 A 1 ATOM 9 N N . ARG A 1 2 ? -11.805 -2.812 -6.486 1.00 94.45 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -11.062 -1.690 -5.906 1.00 94.86 2 A 1 ATOM 11 C C . ARG A 1 2 ? -9.666 -2.136 -5.452 1.00 95.66 2 A 1 ATOM 12 O O . ARG A 1 2 ? -9.254 -1.864 -4.329 1.00 93.20 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -11.847 -1.104 -4.742 1.00 92.01 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -13.246 -0.635 -5.127 1.00 83.72 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -13.180 0.566 -6.073 1.00 82.60 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -14.510 1.084 -6.380 1.00 76.61 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -14.779 1.903 -7.390 1.00 72.45 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -13.832 2.297 -8.214 1.00 67.96 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -16.007 2.323 -7.575 1.00 68.21 2 A 1 ATOM 20 N N . ILE A 1 3 ? -8.955 -2.799 -6.328 1.00 96.50 3 A 1 ATOM 21 C CA . ILE A 1 3 ? -7.611 -3.288 -6.011 1.00 96.96 3 A 1 ATOM 22 C C . ILE A 1 3 ? -6.664 -2.126 -5.730 1.00 97.59 3 A 1 ATOM 23 O O . ILE A 1 3 ? -5.764 -2.233 -4.896 1.00 97.02 3 A 1 ATOM 24 C CB . ILE A 1 3 ? -7.080 -4.158 -7.163 1.00 96.11 3 A 1 ATOM 25 C CG1 . ILE A 1 3 ? -7.972 -5.390 -7.349 1.00 90.81 3 A 1 ATOM 26 C CG2 . ILE A 1 3 ? -5.642 -4.596 -6.881 1.00 89.82 3 A 1 ATOM 27 C CD1 . ILE A 1 3 ? -7.714 -6.117 -8.658 1.00 83.59 3 A 1 ATOM 28 N N . VAL A 1 4 ? -6.879 -1.007 -6.422 1.00 97.92 4 A 1 ATOM 29 C CA . VAL A 1 4 ? -6.041 0.182 -6.228 1.00 98.02 4 A 1 ATOM 30 C C . VAL A 1 4 ? -6.132 0.669 -4.784 1.00 98.19 4 A 1 ATOM 31 O O . VAL A 1 4 ? -5.132 1.082 -4.194 1.00 97.75 4 A 1 ATOM 32 C CB . VAL A 1 4 ? -6.458 1.304 -7.195 1.00 97.41 4 A 1 ATOM 33 C CG1 . VAL A 1 4 ? -5.548 2.512 -7.050 1.00 93.50 4 A 1 ATOM 34 C CG2 . VAL A 1 4 ? -6.421 0.808 -8.633 1.00 92.83 4 A 1 ATOM 35 N N . TYR A 1 5 ? -7.326 0.602 -4.214 1.00 97.99 5 A 1 ATOM 36 C CA . TYR A 1 5 ? -7.547 1.052 -2.837 1.00 97.87 5 A 1 ATOM 37 C C . TYR A 1 5 ? -6.903 0.090 -1.837 1.00 97.97 5 A 1 ATOM 38 O O . TYR A 1 5 ? -6.627 0.467 -0.702 1.00 97.70 5 A 1 ATOM 39 C CB . TYR A 1 5 ? -9.048 1.166 -2.569 1.00 97.56 5 A 1 ATOM 40 C CG . TYR A 1 5 ? -9.688 2.289 -3.360 1.00 94.83 5 A 1 ATOM 41 C CD1 . TYR A 1 5 ? -10.042 2.115 -4.692 1.00 92.45 5 A 1 ATOM 42 C CD2 . TYR A 1 5 ? -9.930 3.524 -2.758 1.00 92.74 5 A 1 ATOM 43 C CE1 . TYR A 1 5 ? -10.620 3.149 -5.418 1.00 92.12 5 A 1 ATOM 44 C CE2 . TYR A 1 5 ? -10.514 4.563 -3.478 1.00 92.20 5 A 1 ATOM 45 C CZ . TYR A 1 5 ? -10.855 4.367 -4.808 1.00 93.00 5 A 1 ATOM 46 O OH . TYR A 1 5 ? -11.432 5.389 -5.523 1.00 91.41 5 A 1 ATOM 47 N N . LEU A 1 6 ? -6.660 -1.133 -2.260 1.00 98.05 6 A 1 ATOM 48 C CA . LEU A 1 6 ? -6.002 -2.126 -1.411 1.00 98.04 6 A 1 ATOM 49 C C . LEU A 1 6 ? -4.485 -2.053 -1.563 1.00 98.31 6 A 1 ATOM 50 O O . LEU A 1 6 ? -3.743 -2.386 -0.638 1.00 97.92 6 A 1 ATOM 51 C CB . LEU A 1 6 ? -6.497 -3.529 -1.780 1.00 97.67 6 A 1 ATOM 52 C CG . LEU A 1 6 ? -7.097 -4.282 -0.602 1.00 91.90 6 A 1 ATOM 53 C CD1 . LEU A 1 6 ? -8.605 -4.443 -0.776 1.00 88.46 6 A 1 ATOM 54 C CD2 . LEU A 1 6 ? -6.443 -5.643 -0.453 1.00 88.82 6 A 1 ATOM 55 N N . LEU A 1 7 ? -4.043 -1.614 -2.729 1.00 97.72 7 A 1 ATOM 56 C CA . LEU A 1 7 ? -2.614 -1.520 -3.019 1.00 97.91 7 A 1 ATOM 57 C C . LEU A 1 7 ? -1.946 -0.426 -2.194 1.00 98.22 7 A 1 ATOM 58 O O . LEU A 1 7 ? -0.787 -0.564 -1.799 1.00 98.05 7 A 1 ATOM 59 C CB . LEU A 1 7 ? -2.414 -1.250 -4.514 1.00 97.57 7 A 1 ATOM 60 C CG . LEU A 1 7 ? -1.079 -1.763 -5.045 1.00 91.16 7 A 1 ATOM 61 C CD1 . LEU A 1 7 ? -1.293 -2.895 -6.047 1.00 88.37 7 A 1 ATOM 62 C CD2 . LEU A 1 7 ? -0.293 -0.638 -5.699 1.00 88.87 7 A 1 ATOM 63 N N . ILE A 1 8 ? -2.667 0.655 -1.936 1.00 98.37 8 A 1 ATOM 64 C CA . ILE A 1 8 ? -2.127 1.784 -1.172 1.00 98.28 8 A 1 ATOM 65 C C . ILE A 1 8 ? -1.641 1.342 0.214 1.00 98.40 8 A 1 ATOM 66 O O . ILE A 1 8 ? -0.470 1.538 0.546 1.00 98.22 8 A 1 ATOM 67 C CB . ILE A 1 8 ? -3.172 2.912 -1.075 1.00 97.96 8 A 1 ATOM 68 C CG1 . ILE A 1 8 ? -3.466 3.516 -2.468 1.00 95.95 8 A 1 ATOM 69 C CG2 . ILE A 1 8 ? -2.697 4.006 -0.121 1.00 95.46 8 A 1 ATOM 70 C CD1 . ILE A 1 8 ? -2.333 4.366 -3.017 1.00 91.01 8 A 1 ATOM 71 N N . PRO A 1 9 ? -2.512 0.766 1.044 1.00 98.26 9 A 1 ATOM 72 C CA . PRO A 1 9 ? -2.084 0.337 2.384 1.00 98.13 9 A 1 ATOM 73 C C . PRO A 1 9 ? -1.075 -0.804 2.330 1.00 98.32 9 A 1 ATOM 74 O O . PRO A 1 9 ? -0.162 -0.865 3.155 1.00 98.02 9 A 1 ATOM 75 C CB . PRO A 1 9 ? -3.387 -0.108 3.057 1.00 97.54 9 A 1 ATOM 76 C CG . PRO A 1 9 ? -4.301 -0.443 1.926 1.00 96.49 9 A 1 ATOM 77 C CD . PRO A 1 9 ? -3.925 0.508 0.817 1.00 97.74 9 A 1 ATOM 78 N N . PHE A 1 10 ? -1.220 -1.688 1.358 1.00 97.90 10 A 1 ATOM 79 C CA . PHE A 1 10 ? -0.291 -2.808 1.207 1.00 97.93 10 A 1 ATOM 80 C C . PHE A 1 10 ? 1.109 -2.299 0.868 1.00 98.14 10 A 1 ATOM 81 O O . PHE A 1 10 ? 2.103 -2.774 1.419 1.00 97.91 10 A 1 ATOM 82 C CB . PHE A 1 10 ? -0.797 -3.739 0.110 1.00 97.68 10 A 1 ATOM 83 C CG . PHE A 1 10 ? -0.267 -5.140 0.264 1.00 96.04 10 A 1 ATOM 84 C CD1 . PHE A 1 10 ? 0.949 -5.503 -0.295 1.00 92.87 10 A 1 ATOM 85 C CD2 . PHE A 1 10 ? -0.998 -6.084 0.978 1.00 93.72 10 A 1 ATOM 86 C CE1 . PHE A 1 10 ? 1.444 -6.794 -0.144 1.00 92.38 10 A 1 ATOM 87 C CE2 . PHE A 1 10 ? -0.508 -7.376 1.131 1.00 92.44 10 A 1 ATOM 88 C CZ . PHE A 1 10 ? 0.714 -7.730 0.573 1.00 92.93 10 A 1 ATOM 89 N N . PHE A 1 11 ? 1.186 -1.322 -0.035 1.00 97.85 11 A 1 ATOM 90 C CA . PHE A 1 11 ? 2.462 -0.744 -0.439 1.00 97.77 11 A 1 ATOM 91 C C . PHE A 1 11 ? 3.097 0.026 0.717 1.00 97.99 11 A 1 ATOM 92 O O . PHE A 1 11 ? 4.316 -0.002 0.894 1.00 97.75 11 A 1 ATOM 93 C CB . PHE A 1 11 ? 2.250 0.178 -1.638 1.00 97.53 11 A 1 ATOM 94 C CG . PHE A 1 11 ? 3.529 0.457 -2.385 1.00 95.96 11 A 1 ATOM 95 C CD1 . PHE A 1 11 ? 4.126 -0.529 -3.153 1.00 92.35 11 A 1 ATOM 96 C CD2 . PHE A 1 11 ? 4.124 1.710 -2.309 1.00 93.25 11 A 1 ATOM 97 C CE1 . PHE A 1 11 ? 5.308 -0.275 -3.841 1.00 91.92 11 A 1 ATOM 98 C CE2 . PHE A 1 11 ? 5.309 1.971 -2.992 1.00 92.06 11 A 1 ATOM 99 C CZ . PHE A 1 11 ? 5.902 0.977 -3.758 1.00 92.84 11 A 1 ATOM 100 N N . LEU A 1 12 ? 2.276 0.711 1.502 1.00 98.21 12 A 1 ATOM 101 C CA . LEU A 1 12 ? 2.777 1.464 2.654 1.00 98.16 12 A 1 ATOM 102 C C . LEU A 1 12 ? 3.435 0.527 3.663 1.00 98.22 12 A 1 ATOM 103 O O . LEU A 1 12 ? 4.488 0.846 4.218 1.00 97.95 12 A 1 ATOM 104 C CB . LEU A 1 12 ? 1.621 2.222 3.309 1.00 97.99 12 A 1 ATOM 105 C CG . LEU A 1 12 ? 1.227 3.490 2.556 1.00 95.93 12 A 1 ATOM 106 C CD1 . LEU A 1 12 ? -0.114 4.001 3.059 1.00 93.17 12 A 1 ATOM 107 C CD2 . LEU A 1 12 ? 2.292 4.569 2.743 1.00 93.58 12 A 1 ATOM 108 N N . LEU A 1 13 ? 2.829 -0.628 3.888 1.00 98.18 13 A 1 ATOM 109 C CA . LEU A 1 13 ? 3.388 -1.616 4.806 1.00 98.07 13 A 1 ATOM 110 C C . LEU A 1 13 ? 4.707 -2.158 4.264 1.00 98.17 13 A 1 ATOM 111 O O . LEU A 1 13 ? 5.659 -2.367 5.017 1.00 97.94 13 A 1 ATOM 112 C CB . LEU A 1 13 ? 2.392 -2.758 5.007 1.00 97.84 13 A 1 ATOM 113 C CG . LEU A 1 13 ? 1.216 -2.399 5.912 1.00 94.64 13 A 1 ATOM 114 C CD1 . LEU A 1 13 ? 0.128 -3.459 5.803 1.00 91.61 13 A 1 ATOM 115 C CD2 . LEU A 1 13 ? 1.678 -2.282 7.364 1.00 92.21 13 A 1 ATOM 116 N N . PHE A 1 14 ? 4.766 -2.371 2.958 1.00 98.30 14 A 1 ATOM 117 C CA . PHE A 1 14 ? 5.979 -2.858 2.309 1.00 98.15 14 A 1 ATOM 118 C C . PHE A 1 14 ? 7.113 -1.844 2.468 1.00 98.19 14 A 1 ATOM 119 O O . PHE A 1 14 ? 8.245 -2.215 2.784 1.00 97.86 14 A 1 ATOM 120 C CB . PHE A 1 14 ? 5.694 -3.115 0.832 1.00 97.88 14 A 1 ATOM 121 C CG . PHE A 1 14 ? 6.905 -3.621 0.092 1.00 96.28 14 A 1 ATOM 122 C CD1 . PHE A 1 14 ? 7.714 -2.742 -0.615 1.00 92.97 14 A 1 ATOM 123 C CD2 . PHE A 1 14 ? 7.231 -4.972 0.125 1.00 93.50 14 A 1 ATOM 124 C CE1 . PHE A 1 14 ? 8.839 -3.209 -1.286 1.00 93.21 14 A 1 ATOM 125 C CE2 . PHE A 1 14 ? 8.358 -5.437 -0.543 1.00 93.36 14 A 1 ATOM 126 C CZ . PHE A 1 14 ? 9.162 -4.555 -1.250 1.00 93.38 14 A 1 ATOM 127 N N . LEU A 1 15 ? 6.797 -0.566 2.268 1.00 98.30 15 A 1 ATOM 128 C CA . LEU A 1 15 ? 7.793 0.492 2.409 1.00 98.14 15 A 1 ATOM 129 C C . LEU A 1 15 ? 8.279 0.584 3.849 1.00 98.04 15 A 1 ATOM 130 O O . LEU A 1 15 ? 9.469 0.786 4.095 1.00 97.52 15 A 1 ATOM 131 C CB . LEU A 1 15 ? 7.190 1.827 1.968 1.00 97.89 15 A 1 ATOM 132 C CG . LEU A 1 15 ? 7.136 2.010 0.452 1.00 96.04 15 A 1 ATOM 133 C CD1 . LEU A 1 15 ? 6.287 3.225 0.105 1.00 92.25 15 A 1 ATOM 134 C CD2 . LEU A 1 15 ? 8.541 2.180 -0.119 1.00 91.94 15 A 1 ATOM 135 N N . GLN A 1 16 ? 7.374 0.435 4.804 1.00 98.35 16 A 1 ATOM 136 C CA . GLN A 1 16 ? 7.736 0.484 6.221 1.00 98.08 16 A 1 ATOM 137 C C . GLN A 1 16 ? 8.688 -0.650 6.580 1.00 98.01 16 A 1 ATOM 138 O O . GLN A 1 16 ? 9.638 -0.445 7.335 1.00 95.91 16 A 1 ATOM 139 C CB . GLN A 1 16 ? 6.480 0.405 7.083 1.00 97.30 16 A 1 ATOM 140 C CG . GLN A 1 16 ? 5.847 1.775 7.272 1.00 92.74 16 A 1 ATOM 141 C CD . GLN A 1 16 ? 4.714 1.736 8.276 1.00 89.26 16 A 1 ATOM 142 O OE1 . GLN A 1 16 ? 4.072 0.708 8.471 1.00 83.88 16 A 1 ATOM 143 N NE2 . GLN A 1 16 ? 4.442 2.845 8.935 1.00 81.91 16 A 1 ATOM 144 N N . GLY A 1 17 ? 8.449 -1.822 6.028 1.00 97.32 17 A 1 ATOM 145 C CA . GLY A 1 17 ? 9.317 -2.966 6.291 1.00 96.66 17 A 1 ATOM 146 C C . GLY A 1 17 ? 10.703 -2.783 5.710 1.00 96.04 17 A 1 ATOM 147 O O . GLY A 1 17 ? 11.688 -3.272 6.265 1.00 93.06 17 A 1 ATOM 148 N N . ALA A 1 18 ? 10.796 -2.079 4.585 1.00 96.83 18 A 1 ATOM 149 C CA . ALA A 1 18 ? 12.079 -1.834 3.929 1.00 96.08 18 A 1 ATOM 150 C C . ALA A 1 18 ? 12.791 -0.620 4.515 1.00 95.56 18 A 1 ATOM 151 O O . ALA A 1 18 ? 14.018 -0.607 4.623 1.00 92.74 18 A 1 ATOM 152 C CB . ALA A 1 18 ? 11.862 -1.646 2.430 1.00 94.99 18 A 1 ATOM 153 N N . ALA A 1 19 ? 12.038 0.396 4.888 1.00 95.51 19 A 1 ATOM 154 C CA . ALA A 1 19 ? 12.604 1.633 5.431 1.00 94.48 19 A 1 ATOM 155 C C . ALA A 1 19 ? 12.986 1.479 6.901 1.00 93.91 19 A 1 ATOM 156 O O . ALA A 1 19 ? 13.898 2.146 7.384 1.00 90.09 19 A 1 ATOM 157 C CB . ALA A 1 19 ? 11.618 2.784 5.254 1.00 92.65 19 A 1 ATOM 158 N N . GLY A 1 20 ? 12.289 0.616 7.624 1.00 93.17 20 A 1 ATOM 159 C CA . GLY A 1 20 ? 12.552 0.406 9.035 1.00 88.65 20 A 1 ATOM 160 C C . GLY A 1 20 ? 11.351 -0.148 9.774 1.00 83.51 20 A 1 ATOM 161 O O . GLY A 1 20 ? 10.239 -0.134 9.233 1.00 74.71 20 A 1 ATOM 162 O OXT . GLY A 1 20 ? 11.532 -0.604 10.931 1.00 82.26 20 A 1 #