# 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_spkb12043 # _entry.id spkb12043 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "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" "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 GLY 2 1 n THR 3 1 n ALA 4 1 n GLY 5 1 n ALA 6 1 n MET 7 1 n GLN 8 1 n LEU 9 1 n CYS 10 1 n TRP 11 1 n VAL 12 1 n ILE 13 1 n LEU 14 1 n GLY 15 1 n PHE 16 1 n LEU 17 1 n LEU 18 1 n PHE 19 1 n ARG 20 1 n GLY 21 1 n HIS 22 1 n ASN 23 1 n SER 24 # _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 14:30:09)" _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 88.61 _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 68.52 1 1 A GLY 2 2 83.77 1 2 A THR 3 2 84.29 1 3 A ALA 4 2 92.08 1 4 A GLY 5 2 93.67 1 5 A ALA 6 2 94.90 1 6 A MET 7 2 88.43 1 7 A GLN 8 2 88.73 1 8 A LEU 9 2 92.16 1 9 A CYS 10 2 94.58 1 10 A TRP 11 2 91.23 1 11 A VAL 12 2 95.75 1 12 A ILE 13 2 94.41 1 13 A LEU 14 2 92.81 1 14 A GLY 15 2 95.81 1 15 A PHE 16 2 89.76 1 16 A LEU 17 2 93.23 1 17 A LEU 18 2 93.00 1 18 A PHE 19 2 90.91 1 19 A ARG 20 2 85.73 1 20 A GLY 21 2 92.53 1 21 A HIS 22 2 81.23 1 22 A ASN 23 2 81.66 1 23 A SER 24 2 76.79 1 24 # _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 GLY . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n MET . 7 A 7 A 8 1 n GLN . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n TRP . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n HIS . 22 A 22 A 23 1 n ASN . 23 A 23 A 24 1 n SER . 24 A 24 # _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 ? -2.593 6.446 23.960 1.00 75.11 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.333 5.823 23.509 1.00 76.41 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.485 5.417 22.054 1.00 77.86 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.354 4.619 21.746 1.00 68.31 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.010 4.596 24.369 1.00 69.14 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.416 4.998 25.716 1.00 65.85 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.162 3.573 26.795 1.00 61.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.860 4.312 28.074 1.00 53.94 1 A 1 ATOM 9 N N . GLY A 1 2 ? -0.688 5.987 21.167 1.00 82.08 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -0.672 5.651 19.748 1.00 84.67 2 A 1 ATOM 11 C C . GLY A 1 2 ? 0.770 5.527 19.275 1.00 86.13 2 A 1 ATOM 12 O O . GLY A 1 2 ? 1.634 6.270 19.733 1.00 82.20 2 A 1 ATOM 13 N N . THR A 1 3 ? 1.039 4.588 18.372 1.00 87.41 3 A 1 ATOM 14 C CA . THR A 1 3 ? 2.375 4.404 17.801 1.00 89.79 3 A 1 ATOM 15 C C . THR A 1 3 ? 2.417 4.997 16.397 1.00 90.74 3 A 1 ATOM 16 O O . THR A 1 3 ? 1.654 4.601 15.521 1.00 87.59 3 A 1 ATOM 17 C CB . THR A 1 3 ? 2.784 2.934 17.843 1.00 85.55 3 A 1 ATOM 18 O OG1 . THR A 1 3 ? 4.099 2.814 17.337 1.00 75.22 3 A 1 ATOM 19 C CG2 . THR A 1 3 ? 1.887 1.993 17.065 1.00 73.73 3 A 1 ATOM 20 N N . ALA A 1 4 ? 3.309 5.945 16.178 1.00 91.55 4 A 1 ATOM 21 C CA . ALA A 1 4 ? 3.509 6.557 14.864 1.00 92.96 4 A 1 ATOM 22 C C . ALA A 1 4 ? 4.039 5.543 13.838 1.00 94.04 4 A 1 ATOM 23 O O . ALA A 1 4 ? 3.750 5.654 12.651 1.00 91.71 4 A 1 ATOM 24 C CB . ALA A 1 4 ? 4.468 7.738 15.031 1.00 90.15 4 A 1 ATOM 25 N N . GLY A 1 5 ? 4.749 4.520 14.292 1.00 92.91 5 A 1 ATOM 26 C CA . GLY A 1 5 ? 5.278 3.466 13.420 1.00 93.26 5 A 1 ATOM 27 C C . GLY A 1 5 ? 4.188 2.674 12.701 1.00 94.77 5 A 1 ATOM 28 O O . GLY A 1 5 ? 4.338 2.349 11.524 1.00 93.74 5 A 1 ATOM 29 N N . ALA A 1 6 ? 3.054 2.408 13.355 1.00 94.41 6 A 1 ATOM 30 C CA . ALA A 1 6 ? 1.929 1.708 12.731 1.00 95.15 6 A 1 ATOM 31 C C . ALA A 1 6 ? 1.305 2.535 11.599 1.00 96.09 6 A 1 ATOM 32 O O . ALA A 1 6 ? 0.985 1.993 10.543 1.00 95.18 6 A 1 ATOM 33 C CB . ALA A 1 6 ? 0.895 1.372 13.808 1.00 93.68 6 A 1 ATOM 34 N N . MET A 1 7 ? 1.166 3.844 11.783 1.00 94.44 7 A 1 ATOM 35 C CA . MET A 1 7 ? 0.658 4.743 10.739 1.00 95.05 7 A 1 ATOM 36 C C . MET A 1 7 ? 1.595 4.783 9.531 1.00 95.71 7 A 1 ATOM 37 O O . MET A 1 7 ? 1.132 4.777 8.393 1.00 94.81 7 A 1 ATOM 38 C CB . MET A 1 7 ? 0.468 6.154 11.298 1.00 94.17 7 A 1 ATOM 39 C CG . MET A 1 7 ? -0.734 6.236 12.231 1.00 86.35 7 A 1 ATOM 40 S SD . MET A 1 7 ? -1.053 7.924 12.794 1.00 78.68 7 A 1 ATOM 41 C CE . MET A 1 7 ? -2.676 7.704 13.521 1.00 68.20 7 A 1 ATOM 42 N N . GLN A 1 8 ? 2.888 4.773 9.762 1.00 96.24 8 A 1 ATOM 43 C CA . GLN A 1 8 ? 3.885 4.778 8.690 1.00 96.65 8 A 1 ATOM 44 C C . GLN A 1 8 ? 3.820 3.492 7.856 1.00 97.42 8 A 1 ATOM 45 O O . GLN A 1 8 ? 3.866 3.555 6.627 1.00 96.64 8 A 1 ATOM 46 C CB . GLN A 1 8 ? 5.266 4.981 9.313 1.00 95.85 8 A 1 ATOM 47 C CG . GLN A 1 8 ? 6.285 5.403 8.254 1.00 86.82 8 A 1 ATOM 48 C CD . GLN A 1 8 ? 7.646 5.727 8.863 1.00 81.91 8 A 1 ATOM 49 O OE1 . GLN A 1 8 ? 8.006 5.284 9.942 1.00 75.29 8 A 1 ATOM 50 N NE2 . GLN A 1 8 ? 8.457 6.515 8.192 1.00 71.74 8 A 1 ATOM 51 N N . LEU A 1 9 ? 3.652 2.336 8.487 1.00 95.81 9 A 1 ATOM 52 C CA . LEU A 1 9 ? 3.481 1.057 7.795 1.00 96.02 9 A 1 ATOM 53 C C . LEU A 1 9 ? 2.221 1.053 6.930 1.00 96.87 9 A 1 ATOM 54 O O . LEU A 1 9 ? 2.283 0.663 5.764 1.00 96.52 9 A 1 ATOM 55 C CB . LEU A 1 9 ? 3.435 -0.071 8.836 1.00 95.36 9 A 1 ATOM 56 C CG . LEU A 1 9 ? 4.820 -0.664 9.105 1.00 88.17 9 A 1 ATOM 57 C CD1 . LEU A 1 9 ? 4.857 -1.323 10.477 1.00 84.37 9 A 1 ATOM 58 C CD2 . LEU A 1 9 ? 5.164 -1.706 8.049 1.00 84.19 9 A 1 ATOM 59 N N . CYS A 1 10 ? 1.093 1.542 7.451 1.00 96.22 10 A 1 ATOM 60 C CA . CYS A 1 10 ? -0.141 1.673 6.678 1.00 96.41 10 A 1 ATOM 61 C C . CYS A 1 10 ? 0.057 2.575 5.457 1.00 96.91 10 A 1 ATOM 62 O O . CYS A 1 10 ? -0.437 2.264 4.381 1.00 95.89 10 A 1 ATOM 63 C CB . CYS A 1 10 ? -1.247 2.232 7.575 1.00 95.51 10 A 1 ATOM 64 S SG . CYS A 1 10 ? -1.849 0.963 8.713 1.00 86.57 10 A 1 ATOM 65 N N . TRP A 1 11 ? 0.808 3.657 5.608 1.00 95.98 11 A 1 ATOM 66 C CA . TRP A 1 11 ? 1.075 4.615 4.523 1.00 96.20 11 A 1 ATOM 67 C C . TRP A 1 11 ? 1.856 3.965 3.379 1.00 96.97 11 A 1 ATOM 68 O O . TRP A 1 11 ? 1.509 4.141 2.210 1.00 96.44 11 A 1 ATOM 69 C CB . TRP A 1 11 ? 1.830 5.819 5.117 1.00 95.69 11 A 1 ATOM 70 C CG . TRP A 1 11 ? 1.528 7.129 4.441 1.00 92.92 11 A 1 ATOM 71 C CD1 . TRP A 1 11 ? 2.271 8.240 4.600 1.00 88.40 11 A 1 ATOM 72 C CD2 . TRP A 1 11 ? 0.437 7.518 3.557 1.00 90.58 11 A 1 ATOM 73 N NE1 . TRP A 1 11 ? 1.717 9.284 3.889 1.00 86.94 11 A 1 ATOM 74 C CE2 . TRP A 1 11 ? 0.604 8.891 3.231 1.00 89.72 11 A 1 ATOM 75 C CE3 . TRP A 1 11 ? -0.666 6.861 2.999 1.00 87.42 11 A 1 ATOM 76 C CZ2 . TRP A 1 11 ? -0.279 9.583 2.382 1.00 89.94 11 A 1 ATOM 77 C CZ3 . TRP A 1 11 ? -1.550 7.547 2.146 1.00 84.82 11 A 1 ATOM 78 C CH2 . TRP A 1 11 ? -1.345 8.886 1.839 1.00 85.27 11 A 1 ATOM 79 N N . VAL A 1 12 ? 2.864 3.180 3.692 1.00 97.11 12 A 1 ATOM 80 C CA . VAL A 1 12 ? 3.678 2.476 2.689 1.00 97.03 12 A 1 ATOM 81 C C . VAL A 1 12 ? 2.847 1.421 1.955 1.00 97.22 12 A 1 ATOM 82 O O . VAL A 1 12 ? 2.896 1.346 0.727 1.00 96.37 12 A 1 ATOM 83 C CB . VAL A 1 12 ? 4.918 1.849 3.348 1.00 96.37 12 A 1 ATOM 84 C CG1 . VAL A 1 12 ? 5.728 1.001 2.366 1.00 93.29 12 A 1 ATOM 85 C CG2 . VAL A 1 12 ? 5.844 2.937 3.895 1.00 92.85 12 A 1 ATOM 86 N N . ILE A 1 13 ? 2.062 0.637 2.673 1.00 96.83 13 A 1 ATOM 87 C CA . ILE A 1 13 ? 1.232 -0.424 2.090 1.00 96.42 13 A 1 ATOM 88 C C . ILE A 1 13 ? 0.155 0.176 1.178 1.00 96.37 13 A 1 ATOM 89 O O . ILE A 1 13 ? 0.002 -0.268 0.038 1.00 95.81 13 A 1 ATOM 90 C CB . ILE A 1 13 ? 0.623 -1.301 3.201 1.00 96.22 13 A 1 ATOM 91 C CG1 . ILE A 1 13 ? 1.728 -2.079 3.949 1.00 94.09 13 A 1 ATOM 92 C CG2 . ILE A 1 13 ? -0.392 -2.303 2.613 1.00 93.06 13 A 1 ATOM 93 C CD1 . ILE A 1 13 ? 1.262 -2.669 5.280 1.00 86.45 13 A 1 ATOM 94 N N . LEU A 1 14 ? -0.569 1.192 1.638 1.00 96.55 14 A 1 ATOM 95 C CA . LEU A 1 14 ? -1.591 1.859 0.829 1.00 96.18 14 A 1 ATOM 96 C C . LEU A 1 14 ? -0.983 2.517 -0.405 1.00 96.45 14 A 1 ATOM 97 O O . LEU A 1 14 ? -1.531 2.391 -1.497 1.00 95.87 14 A 1 ATOM 98 C CB . LEU A 1 14 ? -2.342 2.913 1.654 1.00 95.59 14 A 1 ATOM 99 C CG . LEU A 1 14 ? -3.736 2.452 2.102 1.00 89.44 14 A 1 ATOM 100 C CD1 . LEU A 1 14 ? -3.682 1.662 3.398 1.00 86.48 14 A 1 ATOM 101 C CD2 . LEU A 1 14 ? -4.653 3.651 2.278 1.00 85.93 14 A 1 ATOM 102 N N . GLY A 1 15 ? 0.138 3.200 -0.249 1.00 96.41 15 A 1 ATOM 103 C CA . GLY A 1 15 ? 0.829 3.843 -1.368 1.00 95.80 15 A 1 ATOM 104 C C . GLY A 1 15 ? 1.240 2.836 -2.439 1.00 96.04 15 A 1 ATOM 105 O O . GLY A 1 15 ? 1.012 3.065 -3.628 1.00 94.99 15 A 1 ATOM 106 N N . PHE A 1 16 ? 1.778 1.680 -2.040 1.00 95.60 16 A 1 ATOM 107 C CA . PHE A 1 16 ? 2.170 0.620 -2.968 1.00 94.92 16 A 1 ATOM 108 C C . PHE A 1 16 ? 0.957 0.001 -3.675 1.00 95.17 16 A 1 ATOM 109 O O . PHE A 1 16 ? 1.002 -0.223 -4.884 1.00 94.21 16 A 1 ATOM 110 C CB . PHE A 1 16 ? 2.958 -0.442 -2.199 1.00 94.45 16 A 1 ATOM 111 C CG . PHE A 1 16 ? 3.623 -1.431 -3.122 1.00 89.77 16 A 1 ATOM 112 C CD1 . PHE A 1 16 ? 3.002 -2.649 -3.431 1.00 86.29 16 A 1 ATOM 113 C CD2 . PHE A 1 16 ? 4.864 -1.116 -3.699 1.00 86.16 16 A 1 ATOM 114 C CE1 . PHE A 1 16 ? 3.613 -3.549 -4.313 1.00 83.72 16 A 1 ATOM 115 C CE2 . PHE A 1 16 ? 5.476 -2.017 -4.579 1.00 83.52 16 A 1 ATOM 116 C CZ . PHE A 1 16 ? 4.852 -3.232 -4.889 1.00 83.54 16 A 1 ATOM 117 N N . LEU A 1 17 ? -0.142 -0.238 -2.958 1.00 95.75 17 A 1 ATOM 118 C CA . LEU A 1 17 ? -1.377 -0.769 -3.536 1.00 95.48 17 A 1 ATOM 119 C C . LEU A 1 17 ? -1.967 0.178 -4.581 1.00 95.52 17 A 1 ATOM 120 O O . LEU A 1 17 ? -2.328 -0.265 -5.671 1.00 94.57 17 A 1 ATOM 121 C CB . LEU A 1 17 ? -2.393 -1.026 -2.408 1.00 95.46 17 A 1 ATOM 122 C CG . LEU A 1 17 ? -2.312 -2.458 -1.870 1.00 92.26 17 A 1 ATOM 123 C CD1 . LEU A 1 17 ? -2.811 -2.522 -0.430 1.00 88.60 17 A 1 ATOM 124 C CD2 . LEU A 1 17 ? -3.167 -3.389 -2.722 1.00 88.18 17 A 1 ATOM 125 N N . LEU A 1 18 ? -2.030 1.471 -4.285 1.00 96.30 18 A 1 ATOM 126 C CA . LEU A 1 18 ? -2.548 2.481 -5.208 1.00 95.83 18 A 1 ATOM 127 C C . LEU A 1 18 ? -1.656 2.604 -6.444 1.00 95.69 18 A 1 ATOM 128 O O . LEU A 1 18 ? -2.159 2.610 -7.569 1.00 94.63 18 A 1 ATOM 129 C CB . LEU A 1 18 ? -2.650 3.827 -4.478 1.00 95.56 18 A 1 ATOM 130 C CG . LEU A 1 18 ? -3.817 3.896 -3.481 1.00 91.74 18 A 1 ATOM 131 C CD1 . LEU A 1 18 ? -3.654 5.118 -2.578 1.00 87.44 18 A 1 ATOM 132 C CD2 . LEU A 1 18 ? -5.162 4.005 -4.206 1.00 86.77 18 A 1 ATOM 133 N N . PHE A 1 19 ? -0.343 2.642 -6.254 1.00 95.69 19 A 1 ATOM 134 C CA . PHE A 1 19 ? 0.605 2.737 -7.364 1.00 94.69 19 A 1 ATOM 135 C C . PHE A 1 19 ? 0.530 1.504 -8.269 1.00 94.64 19 A 1 ATOM 136 O O . PHE A 1 19 ? 0.472 1.636 -9.490 1.00 93.34 19 A 1 ATOM 137 C CB . PHE A 1 19 ? 2.013 2.920 -6.797 1.00 94.07 19 A 1 ATOM 138 C CG . PHE A 1 19 ? 3.026 3.211 -7.875 1.00 91.30 19 A 1 ATOM 139 C CD1 . PHE A 1 19 ? 3.800 2.178 -8.421 1.00 87.98 19 A 1 ATOM 140 C CD2 . PHE A 1 19 ? 3.166 4.515 -8.363 1.00 87.85 19 A 1 ATOM 141 C CE1 . PHE A 1 19 ? 4.715 2.453 -9.445 1.00 86.76 19 A 1 ATOM 142 C CE2 . PHE A 1 19 ? 4.081 4.788 -9.389 1.00 87.20 19 A 1 ATOM 143 C CZ . PHE A 1 19 ? 4.854 3.758 -9.928 1.00 86.47 19 A 1 ATOM 144 N N . ARG A 1 20 ? 0.457 0.312 -7.691 1.00 95.09 20 A 1 ATOM 145 C CA . ARG A 1 20 ? 0.344 -0.932 -8.460 1.00 94.44 20 A 1 ATOM 146 C C . ARG A 1 20 ? -0.993 -1.020 -9.196 1.00 93.73 20 A 1 ATOM 147 O O . ARG A 1 20 ? -1.021 -1.457 -10.337 1.00 90.46 20 A 1 ATOM 148 C CB . ARG A 1 20 ? 0.548 -2.129 -7.522 1.00 92.71 20 A 1 ATOM 149 C CG . ARG A 1 20 ? 0.797 -3.401 -8.330 1.00 86.27 20 A 1 ATOM 150 C CD . ARG A 1 20 ? 1.083 -4.584 -7.410 1.00 84.84 20 A 1 ATOM 151 N NE . ARG A 1 20 ? -0.162 -5.119 -6.829 1.00 81.00 20 A 1 ATOM 152 C CZ . ARG A 1 20 ? -0.259 -6.275 -6.189 1.00 78.28 20 A 1 ATOM 153 N NH1 . ARG A 1 20 ? 0.789 -7.028 -5.969 1.00 72.30 20 A 1 ATOM 154 N NH2 . ARG A 1 20 ? -1.420 -6.694 -5.764 1.00 73.87 20 A 1 ATOM 155 N N . GLY A 1 21 ? -2.078 -0.594 -8.570 1.00 93.68 21 A 1 ATOM 156 C CA . GLY A 1 21 ? -3.401 -0.579 -9.202 1.00 92.94 21 A 1 ATOM 157 C C . GLY A 1 21 ? -3.474 0.389 -10.381 1.00 92.75 21 A 1 ATOM 158 O O . GLY A 1 21 ? -4.105 0.083 -11.389 1.00 90.73 21 A 1 ATOM 159 N N . HIS A 1 22 ? -2.802 1.530 -10.283 1.00 93.33 22 A 1 ATOM 160 C CA . HIS A 1 22 ? -2.779 2.525 -11.367 1.00 91.66 22 A 1 ATOM 161 C C . HIS A 1 22 ? -1.843 2.121 -12.514 1.00 91.03 22 A 1 ATOM 162 O O . HIS A 1 22 ? -2.090 2.479 -13.667 1.00 85.94 22 A 1 ATOM 163 C CB . HIS A 1 22 ? -2.368 3.882 -10.784 1.00 89.02 22 A 1 ATOM 164 C CG . HIS A 1 22 ? -2.539 5.002 -11.772 1.00 81.47 22 A 1 ATOM 165 N ND1 . HIS A 1 22 ? -1.575 5.461 -12.633 1.00 70.67 22 A 1 ATOM 166 C CD2 . HIS A 1 22 ? -3.668 5.740 -12.019 1.00 70.86 22 A 1 ATOM 167 C CE1 . HIS A 1 22 ? -2.111 6.449 -13.376 1.00 68.28 22 A 1 ATOM 168 N NE2 . HIS A 1 22 ? -3.382 6.646 -13.029 1.00 70.06 22 A 1 ATOM 169 N N . ASN A 1 23 ? -0.792 1.379 -12.224 1.00 88.89 23 A 1 ATOM 170 C CA . ASN A 1 23 ? 0.173 0.932 -13.236 1.00 87.38 23 A 1 ATOM 171 C C . ASN A 1 23 ? -0.296 -0.321 -13.994 1.00 86.30 23 A 1 ATOM 172 O O . ASN A 1 23 ? 0.219 -0.622 -15.066 1.00 81.97 23 A 1 ATOM 173 C CB . ASN A 1 23 ? 1.520 0.690 -12.531 1.00 83.91 23 A 1 ATOM 174 C CG . ASN A 1 23 ? 2.661 0.511 -13.512 1.00 79.51 23 A 1 ATOM 175 O OD1 . ASN A 1 23 ? 2.609 0.863 -14.671 1.00 73.60 23 A 1 ATOM 176 N ND2 . ASN A 1 23 ? 3.761 -0.047 -13.062 1.00 71.68 23 A 1 ATOM 177 N N . SER A 1 24 ? -1.253 -1.064 -13.453 1.00 85.88 24 A 1 ATOM 178 C CA . SER A 1 24 ? -1.779 -2.280 -14.079 1.00 84.36 24 A 1 ATOM 179 C C . SER A 1 24 ? -2.678 -1.996 -15.277 1.00 80.55 24 A 1 ATOM 180 O O . SER A 1 24 ? -3.214 -0.874 -15.386 1.00 73.21 24 A 1 ATOM 181 C CB . SER A 1 24 ? -2.515 -3.132 -13.049 1.00 76.73 24 A 1 ATOM 182 O OG . SER A 1 24 ? -2.738 -4.436 -13.589 1.00 68.49 24 A 1 ATOM 183 O OXT . SER A 1 24 ? -2.845 -2.924 -16.101 1.00 68.33 24 A 1 #