# 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_spkb27077 # _entry.id spkb27077 # 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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[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" "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 LYS 2 1 n TYR 3 1 n THR 4 1 n SER 5 1 n TYR 6 1 n ILE 7 1 n LEU 8 1 n ALA 9 1 n LEU 10 1 n GLN 11 1 n LEU 12 1 n CYS 13 1 n VAL 14 1 n LEU 15 1 n LEU 16 1 n GLY 17 1 n PHE 18 1 n SER 19 1 n GLY 20 1 n SER 21 1 n TYR 22 1 n GLY 23 # _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 04:02:03)" _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 91.26 _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 86.97 1 1 A LYS 2 2 88.31 1 2 A TYR 3 2 91.59 1 3 A THR 4 2 94.70 1 4 A SER 5 2 95.21 1 5 A TYR 6 2 94.06 1 6 A ILE 7 2 95.88 1 7 A LEU 8 2 94.57 1 8 A ALA 9 2 97.51 1 9 A LEU 10 2 94.25 1 10 A GLN 11 2 92.21 1 11 A LEU 12 2 94.18 1 12 A CYS 13 2 95.57 1 13 A VAL 14 2 96.81 1 14 A LEU 15 2 95.15 1 15 A LEU 16 2 95.26 1 16 A GLY 17 2 96.14 1 17 A PHE 18 2 89.06 1 18 A SER 19 2 88.97 1 19 A GLY 20 2 87.88 1 20 A SER 21 2 86.52 1 21 A TYR 22 2 79.23 1 22 A GLY 23 2 71.57 1 23 # _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 TYR . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLN . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n TYR . 22 A 22 A 23 1 n GLY . 23 A 23 # _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 ? -5.731 0.675 -17.447 1.00 93.88 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.523 -0.271 -16.328 1.00 95.44 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.362 0.126 -15.401 1.00 95.90 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.767 -0.730 -14.770 1.00 92.43 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.311 -1.695 -16.874 1.00 91.06 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.561 -2.262 -17.547 1.00 84.30 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.243 -3.899 -18.255 1.00 76.67 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.878 -4.347 -18.807 1.00 66.06 1 A 1 ATOM 9 N N . LYS A 1 2 ? -4.008 1.404 -15.327 1.00 95.62 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -2.851 1.844 -14.521 1.00 95.65 2 A 1 ATOM 11 C C . LYS A 1 2 ? -3.195 1.963 -13.034 1.00 95.96 2 A 1 ATOM 12 O O . LYS A 1 2 ? -2.402 1.574 -12.188 1.00 95.54 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -2.281 3.153 -15.087 1.00 93.53 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -1.617 2.940 -16.456 1.00 85.59 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -0.983 4.233 -16.979 1.00 83.90 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -0.290 3.986 -18.318 1.00 77.30 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 0.330 5.228 -18.863 1.00 71.68 2 A 1 ATOM 18 N N . TYR A 1 3 ? -4.398 2.435 -12.721 1.00 96.49 3 A 1 ATOM 19 C CA . TYR A 1 3 ? -4.817 2.692 -11.338 1.00 96.99 3 A 1 ATOM 20 C C . TYR A 1 3 ? -4.913 1.423 -10.482 1.00 97.23 3 A 1 ATOM 21 O O . TYR A 1 3 ? -4.558 1.459 -9.308 1.00 96.95 3 A 1 ATOM 22 C CB . TYR A 1 3 ? -6.150 3.443 -11.355 1.00 96.67 3 A 1 ATOM 23 C CG . TYR A 1 3 ? -6.048 4.786 -12.038 1.00 89.47 3 A 1 ATOM 24 C CD1 . TYR A 1 3 ? -5.416 5.857 -11.374 1.00 88.31 3 A 1 ATOM 25 C CD2 . TYR A 1 3 ? -6.547 4.971 -13.335 1.00 88.14 3 A 1 ATOM 26 C CE1 . TYR A 1 3 ? -5.287 7.098 -12.006 1.00 87.64 3 A 1 ATOM 27 C CE2 . TYR A 1 3 ? -6.420 6.214 -13.981 1.00 88.81 3 A 1 ATOM 28 C CZ . TYR A 1 3 ? -5.787 7.276 -13.307 1.00 88.18 3 A 1 ATOM 29 O OH . TYR A 1 3 ? -5.657 8.494 -13.926 1.00 84.20 3 A 1 ATOM 30 N N . THR A 1 4 ? -5.303 0.293 -11.057 1.00 97.62 4 A 1 ATOM 31 C CA . THR A 1 4 ? -5.418 -0.983 -10.334 1.00 97.70 4 A 1 ATOM 32 C C . THR A 1 4 ? -4.071 -1.450 -9.779 1.00 97.85 4 A 1 ATOM 33 O O . THR A 1 4 ? -4.004 -1.914 -8.643 1.00 97.34 4 A 1 ATOM 34 C CB . THR A 1 4 ? -5.995 -2.066 -11.254 1.00 97.26 4 A 1 ATOM 35 O OG1 . THR A 1 4 ? -7.012 -1.526 -12.078 1.00 89.27 4 A 1 ATOM 36 C CG2 . THR A 1 4 ? -6.603 -3.220 -10.466 1.00 85.86 4 A 1 ATOM 37 N N . SER A 1 5 ? -2.990 -1.270 -10.529 1.00 97.61 5 A 1 ATOM 38 C CA . SER A 1 5 ? -1.638 -1.609 -10.076 1.00 97.45 5 A 1 ATOM 39 C C . SER A 1 5 ? -1.173 -0.693 -8.940 1.00 97.75 5 A 1 ATOM 40 O O . SER A 1 5 ? -0.553 -1.162 -7.993 1.00 97.41 5 A 1 ATOM 41 C CB . SER A 1 5 ? -0.653 -1.525 -11.238 1.00 96.43 5 A 1 ATOM 42 O OG . SER A 1 5 ? -1.070 -2.367 -12.295 1.00 84.60 5 A 1 ATOM 43 N N . TYR A 1 6 ? -1.519 0.602 -8.998 1.00 97.70 6 A 1 ATOM 44 C CA . TYR A 1 6 ? -1.201 1.546 -7.925 1.00 97.79 6 A 1 ATOM 45 C C . TYR A 1 6 ? -1.967 1.231 -6.638 1.00 97.87 6 A 1 ATOM 46 O O . TYR A 1 6 ? -1.387 1.299 -5.559 1.00 97.59 6 A 1 ATOM 47 C CB . TYR A 1 6 ? -1.489 2.977 -8.373 1.00 97.64 6 A 1 ATOM 48 C CG . TYR A 1 6 ? -0.512 3.492 -9.409 1.00 94.15 6 A 1 ATOM 49 C CD1 . TYR A 1 6 ? 0.828 3.719 -9.053 1.00 90.49 6 A 1 ATOM 50 C CD2 . TYR A 1 6 ? -0.935 3.748 -10.721 1.00 91.62 6 A 1 ATOM 51 C CE1 . TYR A 1 6 ? 1.745 4.187 -10.007 1.00 90.81 6 A 1 ATOM 52 C CE2 . TYR A 1 6 ? -0.025 4.217 -11.684 1.00 91.49 6 A 1 ATOM 53 C CZ . TYR A 1 6 ? 1.316 4.432 -11.320 1.00 91.71 6 A 1 ATOM 54 O OH . TYR A 1 6 ? 2.210 4.881 -12.255 1.00 89.86 6 A 1 ATOM 55 N N . ILE A 1 7 ? -3.230 0.837 -6.736 1.00 98.22 7 A 1 ATOM 56 C CA . ILE A 1 7 ? -4.044 0.431 -5.582 1.00 98.03 7 A 1 ATOM 57 C C . ILE A 1 7 ? -3.439 -0.798 -4.901 1.00 98.02 7 A 1 ATOM 58 O O . ILE A 1 7 ? -3.303 -0.824 -3.679 1.00 97.76 7 A 1 ATOM 59 C CB . ILE A 1 7 ? -5.502 0.185 -6.017 1.00 97.91 7 A 1 ATOM 60 C CG1 . ILE A 1 7 ? -6.200 1.490 -6.472 1.00 95.58 7 A 1 ATOM 61 C CG2 . ILE A 1 7 ? -6.317 -0.493 -4.906 1.00 94.48 7 A 1 ATOM 62 C CD1 . ILE A 1 7 ? -6.561 2.475 -5.352 1.00 87.03 7 A 1 ATOM 63 N N . LEU A 1 8 ? -3.027 -1.798 -5.679 1.00 98.04 8 A 1 ATOM 64 C CA . LEU A 1 8 ? -2.392 -3.002 -5.146 1.00 97.76 8 A 1 ATOM 65 C C . LEU A 1 8 ? -1.064 -2.679 -4.444 1.00 97.88 8 A 1 ATOM 66 O O . LEU A 1 8 ? -0.809 -3.155 -3.337 1.00 97.82 8 A 1 ATOM 67 C CB . LEU A 1 8 ? -2.176 -3.998 -6.298 1.00 97.48 8 A 1 ATOM 68 C CG . LEU A 1 8 ? -1.961 -5.434 -5.791 1.00 91.58 8 A 1 ATOM 69 C CD1 . LEU A 1 8 ? -3.302 -6.122 -5.531 1.00 87.48 8 A 1 ATOM 70 C CD2 . LEU A 1 8 ? -1.190 -6.250 -6.826 1.00 88.51 8 A 1 ATOM 71 N N . ALA A 1 9 ? -0.234 -1.833 -5.059 1.00 97.83 9 A 1 ATOM 72 C CA . ALA A 1 9 ? 1.032 -1.392 -4.476 1.00 97.64 9 A 1 ATOM 73 C C . ALA A 1 9 ? 0.810 -0.595 -3.183 1.00 97.74 9 A 1 ATOM 74 O O . ALA A 1 9 ? 1.543 -0.776 -2.211 1.00 97.14 9 A 1 ATOM 75 C CB . ALA A 1 9 ? 1.788 -0.565 -5.522 1.00 97.22 9 A 1 ATOM 76 N N . LEU A 1 10 ? -0.225 0.252 -3.149 1.00 97.81 10 A 1 ATOM 77 C CA . LEU A 1 10 ? -0.574 1.045 -1.975 1.00 97.59 10 A 1 ATOM 78 C C . LEU A 1 10 ? -1.047 0.156 -0.824 1.00 97.66 10 A 1 ATOM 79 O O . LEU A 1 10 ? -0.633 0.368 0.314 1.00 97.26 10 A 1 ATOM 80 C CB . LEU A 1 10 ? -1.626 2.084 -2.387 1.00 97.20 10 A 1 ATOM 81 C CG . LEU A 1 10 ? -1.717 3.251 -1.395 1.00 91.30 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? -1.523 4.580 -2.124 1.00 87.18 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? -3.072 3.277 -0.696 1.00 88.01 10 A 1 ATOM 84 N N . GLN A 1 11 ? -1.848 -0.870 -1.099 1.00 96.91 11 A 1 ATOM 85 C CA . GLN A 1 11 ? -2.278 -1.842 -0.088 1.00 97.01 11 A 1 ATOM 86 C C . GLN A 1 11 ? -1.084 -2.560 0.549 1.00 97.35 11 A 1 ATOM 87 O O . GLN A 1 11 ? -0.996 -2.633 1.776 1.00 96.16 11 A 1 ATOM 88 C CB . GLN A 1 11 ? -3.222 -2.871 -0.719 1.00 96.57 11 A 1 ATOM 89 C CG . GLN A 1 11 ? -4.622 -2.292 -0.942 1.00 91.86 11 A 1 ATOM 90 C CD . GLN A 1 11 ? -5.567 -3.294 -1.602 1.00 89.05 11 A 1 ATOM 91 O OE1 . GLN A 1 11 ? -5.185 -4.361 -2.059 1.00 83.34 11 A 1 ATOM 92 N NE2 . GLN A 1 11 ? -6.843 -2.993 -1.670 1.00 81.68 11 A 1 ATOM 93 N N . LEU A 1 12 ? -0.139 -3.027 -0.260 1.00 97.36 12 A 1 ATOM 94 C CA . LEU A 1 12 ? 1.076 -3.670 0.238 1.00 97.19 12 A 1 ATOM 95 C C . LEU A 1 12 ? 1.929 -2.703 1.063 1.00 97.57 12 A 1 ATOM 96 O O . LEU A 1 12 ? 2.419 -3.074 2.130 1.00 97.31 12 A 1 ATOM 97 C CB . LEU A 1 12 ? 1.879 -4.212 -0.955 1.00 96.78 12 A 1 ATOM 98 C CG . LEU A 1 12 ? 1.259 -5.464 -1.597 1.00 91.48 12 A 1 ATOM 99 C CD1 . LEU A 1 12 ? 1.941 -5.742 -2.937 1.00 87.10 12 A 1 ATOM 100 C CD2 . LEU A 1 12 ? 1.425 -6.693 -0.706 1.00 88.62 12 A 1 ATOM 101 N N . CYS A 1 13 ? 2.069 -1.457 0.622 1.00 96.96 13 A 1 ATOM 102 C CA . CYS A 1 13 ? 2.838 -0.438 1.335 1.00 96.74 13 A 1 ATOM 103 C C . CYS A 1 13 ? 2.216 -0.110 2.700 1.00 97.10 13 A 1 ATOM 104 O O . CYS A 1 13 ? 2.932 -0.015 3.692 1.00 96.11 13 A 1 ATOM 105 C CB . CYS A 1 13 ? 2.942 0.805 0.445 1.00 95.71 13 A 1 ATOM 106 S SG . CYS A 1 13 ? 4.130 1.969 1.151 1.00 90.78 13 A 1 ATOM 107 N N . VAL A 1 14 ? 0.898 0.016 2.773 1.00 97.55 14 A 1 ATOM 108 C CA . VAL A 1 14 ? 0.174 0.259 4.031 1.00 97.47 14 A 1 ATOM 109 C C . VAL A 1 14 ? 0.324 -0.930 4.979 1.00 97.71 14 A 1 ATOM 110 O O . VAL A 1 14 ? 0.595 -0.731 6.161 1.00 97.33 14 A 1 ATOM 111 C CB . VAL A 1 14 ? -1.308 0.574 3.755 1.00 96.93 14 A 1 ATOM 112 C CG1 . VAL A 1 14 ? -2.148 0.622 5.031 1.00 95.61 14 A 1 ATOM 113 C CG2 . VAL A 1 14 ? -1.443 1.940 3.074 1.00 95.04 14 A 1 ATOM 114 N N . LEU A 1 15 ? 0.210 -2.156 4.483 1.00 97.67 15 A 1 ATOM 115 C CA . LEU A 1 15 ? 0.370 -3.374 5.283 1.00 97.31 15 A 1 ATOM 116 C C . LEU A 1 15 ? 1.782 -3.482 5.867 1.00 97.43 15 A 1 ATOM 117 O O . LEU A 1 15 ? 1.944 -3.743 7.063 1.00 97.15 15 A 1 ATOM 118 C CB . LEU A 1 15 ? 0.019 -4.586 4.404 1.00 96.80 15 A 1 ATOM 119 C CG . LEU A 1 15 ? -1.033 -5.501 5.048 1.00 93.59 15 A 1 ATOM 120 C CD1 . LEU A 1 15 ? -2.116 -5.860 4.031 1.00 89.95 15 A 1 ATOM 121 C CD2 . LEU A 1 15 ? -0.396 -6.785 5.559 1.00 91.32 15 A 1 ATOM 122 N N . LEU A 1 16 ? 2.802 -3.214 5.058 1.00 97.80 16 A 1 ATOM 123 C CA . LEU A 1 16 ? 4.198 -3.206 5.493 1.00 97.62 16 A 1 ATOM 124 C C . LEU A 1 16 ? 4.477 -2.064 6.474 1.00 97.71 16 A 1 ATOM 125 O O . LEU A 1 16 ? 5.130 -2.281 7.494 1.00 96.91 16 A 1 ATOM 126 C CB . LEU A 1 16 ? 5.108 -3.095 4.259 1.00 97.15 16 A 1 ATOM 127 C CG . LEU A 1 16 ? 5.165 -4.379 3.416 1.00 95.10 16 A 1 ATOM 128 C CD1 . LEU A 1 16 ? 5.831 -4.079 2.069 1.00 89.81 16 A 1 ATOM 129 C CD2 . LEU A 1 16 ? 5.967 -5.476 4.112 1.00 90.00 16 A 1 ATOM 130 N N . GLY A 1 17 ? 3.950 -0.876 6.219 1.00 96.69 17 A 1 ATOM 131 C CA . GLY A 1 17 ? 4.092 0.279 7.106 1.00 96.45 17 A 1 ATOM 132 C C . GLY A 1 17 ? 3.438 0.052 8.469 1.00 96.50 17 A 1 ATOM 133 O O . GLY A 1 17 ? 4.029 0.377 9.498 1.00 94.93 17 A 1 ATOM 134 N N . PHE A 1 18 ? 2.259 -0.572 8.501 1.00 95.70 18 A 1 ATOM 135 C CA . PHE A 1 18 ? 1.568 -0.918 9.743 1.00 95.08 18 A 1 ATOM 136 C C . PHE A 1 18 ? 2.332 -1.985 10.530 1.00 95.84 18 A 1 ATOM 137 O O . PHE A 1 18 ? 2.508 -1.844 11.738 1.00 94.51 18 A 1 ATOM 138 C CB . PHE A 1 18 ? 0.146 -1.379 9.419 1.00 93.65 18 A 1 ATOM 139 C CG . PHE A 1 18 ? -0.737 -1.436 10.643 1.00 88.58 18 A 1 ATOM 140 C CD1 . PHE A 1 18 ? -0.908 -2.630 11.349 1.00 84.28 18 A 1 ATOM 141 C CD2 . PHE A 1 18 ? -1.372 -0.269 11.091 1.00 84.38 18 A 1 ATOM 142 C CE1 . PHE A 1 18 ? -1.710 -2.666 12.496 1.00 83.32 18 A 1 ATOM 143 C CE2 . PHE A 1 18 ? -2.174 -0.302 12.242 1.00 82.01 18 A 1 ATOM 144 C CZ . PHE A 1 18 ? -2.342 -1.500 12.943 1.00 82.30 18 A 1 ATOM 145 N N . SER A 1 19 ? 2.859 -3.000 9.847 1.00 93.17 19 A 1 ATOM 146 C CA . SER A 1 19 ? 3.701 -4.026 10.476 1.00 92.47 19 A 1 ATOM 147 C C . SER A 1 19 ? 4.995 -3.434 11.045 1.00 91.22 19 A 1 ATOM 148 O O . SER A 1 19 ? 5.413 -3.807 12.136 1.00 86.63 19 A 1 ATOM 149 C CB . SER A 1 19 ? 4.022 -5.120 9.459 1.00 90.97 19 A 1 ATOM 150 O OG . SER A 1 19 ? 4.673 -6.201 10.098 1.00 79.33 19 A 1 ATOM 151 N N . GLY A 1 20 ? 5.618 -2.488 10.354 1.00 90.84 20 A 1 ATOM 152 C CA . GLY A 1 20 ? 6.818 -1.788 10.830 1.00 88.50 20 A 1 ATOM 153 C C . GLY A 1 20 ? 6.547 -0.831 11.992 1.00 88.15 20 A 1 ATOM 154 O O . GLY A 1 20 ? 7.436 -0.599 12.807 1.00 84.04 20 A 1 ATOM 155 N N . SER A 1 21 ? 5.327 -0.296 12.105 1.00 89.95 21 A 1 ATOM 156 C CA . SER A 1 21 ? 4.927 0.563 13.228 1.00 89.75 21 A 1 ATOM 157 C C . SER A 1 21 ? 4.599 -0.227 14.497 1.00 88.76 21 A 1 ATOM 158 O O . SER A 1 21 ? 4.557 0.355 15.577 1.00 85.26 21 A 1 ATOM 159 C CB . SER A 1 21 ? 3.722 1.414 12.829 1.00 87.41 21 A 1 ATOM 160 O OG . SER A 1 21 ? 3.462 2.375 13.836 1.00 78.01 21 A 1 ATOM 161 N N . TYR A 1 22 ? 4.340 -1.525 14.380 1.00 88.45 22 A 1 ATOM 162 C CA . TYR A 1 22 ? 4.033 -2.410 15.513 1.00 87.43 22 A 1 ATOM 163 C C . TYR A 1 22 ? 5.277 -3.090 16.108 1.00 86.74 22 A 1 ATOM 164 O O . TYR A 1 22 ? 5.178 -3.734 17.148 1.00 81.67 22 A 1 ATOM 165 C CB . TYR A 1 22 ? 2.976 -3.442 15.071 1.00 84.56 22 A 1 ATOM 166 C CG . TYR A 1 22 ? 1.765 -3.471 15.977 1.00 79.55 22 A 1 ATOM 167 C CD1 . TYR A 1 22 ? 1.736 -4.325 17.091 1.00 76.54 22 A 1 ATOM 168 C CD2 . TYR A 1 22 ? 0.670 -2.637 15.711 1.00 75.41 22 A 1 ATOM 169 C CE1 . TYR A 1 22 ? 0.614 -4.352 17.930 1.00 70.13 22 A 1 ATOM 170 C CE2 . TYR A 1 22 ? -0.462 -2.656 16.548 1.00 74.77 22 A 1 ATOM 171 C CZ . TYR A 1 22 ? -0.489 -3.521 17.654 1.00 74.09 22 A 1 ATOM 172 O OH . TYR A 1 22 ? -1.593 -3.548 18.463 1.00 71.45 22 A 1 ATOM 173 N N . GLY A 1 23 ? 6.434 -2.961 15.440 1.00 80.82 23 A 1 ATOM 174 C CA . GLY A 1 23 ? 7.705 -3.559 15.836 1.00 76.13 23 A 1 ATOM 175 C C . GLY A 1 23 ? 8.724 -2.534 16.296 1.00 70.10 23 A 1 ATOM 176 O O . GLY A 1 23 ? 8.634 -1.362 15.872 1.00 63.48 23 A 1 ATOM 177 O OXT . GLY A 1 23 ? 9.655 -2.945 17.066 1.00 67.30 23 A 1 #