# 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_spkb18680 # _entry.id spkb18680 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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 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" "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" # _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 THR 2 1 n TRP 3 1 n ASP 4 1 n GLY 5 1 n LEU 6 1 n PRO 7 1 n THR 8 1 n GLN 9 1 n PRO 10 1 n LEU 11 1 n LEU 12 1 n MET 13 1 n LEU 14 1 n LEU 15 1 n MET 16 1 n LEU 17 1 n LEU 18 1 n PHE 19 1 n ALA 20 1 n ALA 21 1 n GLY 22 1 n SER 23 1 n GLY 24 1 n SER 25 # _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 12:01:52)" _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 78.97 _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 66.79 1 1 A THR 2 2 68.90 1 2 A TRP 3 2 61.44 1 3 A ASP 4 2 71.05 1 4 A GLY 5 2 78.18 1 5 A LEU 6 2 73.81 1 6 A PRO 7 2 80.97 1 7 A THR 8 2 80.56 1 8 A GLN 9 2 78.54 1 9 A PRO 10 2 88.88 1 10 A LEU 11 2 85.12 1 11 A LEU 12 2 86.43 1 12 A MET 13 2 84.37 1 13 A LEU 14 2 86.85 1 14 A LEU 15 2 86.32 1 15 A MET 16 2 83.84 1 16 A LEU 17 2 87.36 1 17 A LEU 18 2 87.58 1 18 A PHE 19 2 84.97 1 19 A ALA 20 2 89.63 1 20 A ALA 21 2 88.35 1 21 A GLY 22 2 83.73 1 22 A SER 23 2 74.82 1 23 A GLY 24 2 68.43 1 24 A SER 25 2 59.60 1 25 # _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 THR . 2 A 2 A 3 1 n TRP . 3 A 3 A 4 1 n ASP . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n GLN . 9 A 9 A 10 1 n PRO . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n MET . 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 ALA . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n GLY . 24 A 24 A 25 1 n SER . 25 A 25 # _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 ? -18.438 9.876 1.474 1.00 71.79 1 A 1 ATOM 2 C CA . MET A 1 1 ? -17.434 8.948 0.913 1.00 73.63 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.307 7.773 1.873 1.00 74.21 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.710 7.925 2.930 1.00 68.85 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.075 9.647 0.742 1.00 69.06 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.068 10.607 -0.457 1.00 64.33 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.552 11.605 -0.527 1.00 59.37 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.791 12.446 -2.096 1.00 53.10 1 A 1 ATOM 9 N N . THR A 1 2 ? -17.949 6.657 1.568 1.00 72.65 2 A 1 ATOM 10 C CA . THR A 1 2 ? -17.912 5.442 2.396 1.00 73.08 2 A 1 ATOM 11 C C . THR A 1 2 ? -16.704 4.602 1.979 1.00 73.18 2 A 1 ATOM 12 O O . THR A 1 2 ? -16.734 3.929 0.957 1.00 70.35 2 A 1 ATOM 13 C CB . THR A 1 2 ? -19.229 4.664 2.265 1.00 69.50 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -19.780 4.835 0.977 1.00 61.61 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -20.271 5.163 3.259 1.00 61.91 2 A 1 ATOM 16 N N . TRP A 1 3 ? -15.628 4.675 2.753 1.00 70.80 3 A 1 ATOM 17 C CA . TRP A 1 3 ? -14.410 3.876 2.574 1.00 70.67 3 A 1 ATOM 18 C C . TRP A 1 3 ? -14.505 2.512 3.279 1.00 71.74 3 A 1 ATOM 19 O O . TRP A 1 3 ? -13.485 1.886 3.547 1.00 67.43 3 A 1 ATOM 20 C CB . TRP A 1 3 ? -13.206 4.686 3.055 1.00 67.00 3 A 1 ATOM 21 C CG . TRP A 1 3 ? -12.940 5.950 2.290 1.00 62.97 3 A 1 ATOM 22 C CD1 . TRP A 1 3 ? -13.348 7.183 2.648 1.00 59.32 3 A 1 ATOM 23 C CD2 . TRP A 1 3 ? -12.187 6.112 1.045 1.00 59.52 3 A 1 ATOM 24 N NE1 . TRP A 1 3 ? -12.891 8.110 1.718 1.00 56.01 3 A 1 ATOM 25 C CE2 . TRP A 1 3 ? -12.169 7.493 0.721 1.00 59.36 3 A 1 ATOM 26 C CE3 . TRP A 1 3 ? -11.510 5.216 0.189 1.00 54.82 3 A 1 ATOM 27 C CZ2 . TRP A 1 3 ? -11.505 7.980 -0.421 1.00 54.51 3 A 1 ATOM 28 C CZ3 . TRP A 1 3 ? -10.854 5.702 -0.946 1.00 53.49 3 A 1 ATOM 29 C CH2 . TRP A 1 3 ? -10.844 7.064 -1.253 1.00 52.54 3 A 1 ATOM 30 N N . ASP A 1 4 ? -15.731 2.037 3.566 1.00 76.42 4 A 1 ATOM 31 C CA . ASP A 1 4 ? -15.994 0.797 4.318 1.00 77.07 4 A 1 ATOM 32 C C . ASP A 1 4 ? -15.516 -0.487 3.619 1.00 77.72 4 A 1 ATOM 33 O O . ASP A 1 4 ? -15.518 -1.554 4.228 1.00 72.51 4 A 1 ATOM 34 C CB . ASP A 1 4 ? -17.501 0.705 4.598 1.00 73.34 4 A 1 ATOM 35 C CG . ASP A 1 4 ? -17.862 1.445 5.879 1.00 66.68 4 A 1 ATOM 36 O OD1 . ASP A 1 4 ? -17.636 0.849 6.952 1.00 62.59 4 A 1 ATOM 37 O OD2 . ASP A 1 4 ? -18.343 2.584 5.779 1.00 62.10 4 A 1 ATOM 38 N N . GLY A 1 5 ? -15.116 -0.422 2.347 1.00 78.10 5 A 1 ATOM 39 C CA . GLY A 1 5 ? -14.745 -1.603 1.557 1.00 78.46 5 A 1 ATOM 40 C C . GLY A 1 5 ? -13.263 -1.717 1.222 1.00 79.83 5 A 1 ATOM 41 O O . GLY A 1 5 ? -12.867 -2.716 0.620 1.00 76.33 5 A 1 ATOM 42 N N . LEU A 1 6 ? -12.423 -0.718 1.555 1.00 78.94 6 A 1 ATOM 43 C CA . LEU A 1 6 ? -10.995 -0.783 1.253 1.00 79.37 6 A 1 ATOM 44 C C . LEU A 1 6 ? -10.257 -1.466 2.402 1.00 81.48 6 A 1 ATOM 45 O O . LEU A 1 6 ? -10.151 -0.890 3.485 1.00 78.28 6 A 1 ATOM 46 C CB . LEU A 1 6 ? -10.445 0.617 0.946 1.00 74.95 6 A 1 ATOM 47 C CG . LEU A 1 6 ? -10.556 0.952 -0.545 1.00 68.91 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? -10.479 2.456 -0.764 1.00 65.52 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -9.425 0.297 -1.341 1.00 63.01 6 A 1 ATOM 50 N N . PRO A 1 7 ? -9.730 -2.676 2.179 1.00 82.53 7 A 1 ATOM 51 C CA . PRO A 1 7 ? -8.875 -3.316 3.156 1.00 83.77 7 A 1 ATOM 52 C C . PRO A 1 7 ? -7.592 -2.487 3.274 1.00 85.08 7 A 1 ATOM 53 O O . PRO A 1 7 ? -6.707 -2.542 2.424 1.00 80.61 7 A 1 ATOM 54 C CB . PRO A 1 7 ? -8.672 -4.738 2.626 1.00 79.89 7 A 1 ATOM 55 C CG . PRO A 1 7 ? -8.836 -4.621 1.122 1.00 75.87 7 A 1 ATOM 56 C CD . PRO A 1 7 ? -9.819 -3.472 0.959 1.00 79.04 7 A 1 ATOM 57 N N . THR A 1 8 ? -7.492 -1.669 4.319 1.00 83.53 8 A 1 ATOM 58 C CA . THR A 1 8 ? -6.328 -0.824 4.603 1.00 84.79 8 A 1 ATOM 59 C C . THR A 1 8 ? -5.088 -1.651 4.948 1.00 86.38 8 A 1 ATOM 60 O O . THR A 1 8 ? -3.966 -1.184 4.756 1.00 83.88 8 A 1 ATOM 61 C CB . THR A 1 8 ? -6.648 0.141 5.749 1.00 81.35 8 A 1 ATOM 62 O OG1 . THR A 1 8 ? -7.290 -0.544 6.798 1.00 73.19 8 A 1 ATOM 63 C CG2 . THR A 1 8 ? -7.583 1.258 5.299 1.00 70.78 8 A 1 ATOM 64 N N . GLN A 1 9 ? -5.272 -2.891 5.381 1.00 84.28 9 A 1 ATOM 65 C CA . GLN A 1 9 ? -4.195 -3.819 5.740 1.00 86.06 9 A 1 ATOM 66 C C . GLN A 1 9 ? -3.277 -4.156 4.547 1.00 88.04 9 A 1 ATOM 67 O O . GLN A 1 9 ? -2.067 -3.967 4.668 1.00 86.48 9 A 1 ATOM 68 C CB . GLN A 1 9 ? -4.801 -5.084 6.367 1.00 83.50 9 A 1 ATOM 69 C CG . GLN A 1 9 ? -5.496 -4.836 7.716 1.00 76.88 9 A 1 ATOM 70 C CD . GLN A 1 9 ? -4.513 -4.700 8.883 1.00 71.99 9 A 1 ATOM 71 O OE1 . GLN A 1 9 ? -3.365 -4.334 8.737 1.00 66.28 9 A 1 ATOM 72 N NE2 . GLN A 1 9 ? -4.937 -5.007 10.085 1.00 63.35 9 A 1 ATOM 73 N N . PRO A 1 10 ? -3.774 -4.606 3.373 1.00 89.54 10 A 1 ATOM 74 C CA . PRO A 1 10 ? -2.912 -4.899 2.227 1.00 90.55 10 A 1 ATOM 75 C C . PRO A 1 10 ? -2.261 -3.646 1.643 1.00 91.85 10 A 1 ATOM 76 O O . PRO A 1 10 ? -1.135 -3.728 1.160 1.00 88.93 10 A 1 ATOM 77 C CB . PRO A 1 10 ? -3.812 -5.606 1.207 1.00 88.04 10 A 1 ATOM 78 C CG . PRO A 1 10 ? -5.206 -5.172 1.574 1.00 85.15 10 A 1 ATOM 79 C CD . PRO A 1 10 ? -5.133 -5.008 3.084 1.00 88.10 10 A 1 ATOM 80 N N . LEU A 1 11 ? -2.905 -2.483 1.726 1.00 89.53 11 A 1 ATOM 81 C CA . LEU A 1 11 ? -2.301 -1.217 1.307 1.00 89.95 11 A 1 ATOM 82 C C . LEU A 1 11 ? -1.102 -0.851 2.184 1.00 91.10 11 A 1 ATOM 83 O O . LEU A 1 11 ? -0.065 -0.447 1.665 1.00 90.03 11 A 1 ATOM 84 C CB . LEU A 1 11 ? -3.359 -0.102 1.344 1.00 88.77 11 A 1 ATOM 85 C CG . LEU A 1 11 ? -4.219 -0.044 0.079 1.00 80.06 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? -5.425 0.851 0.306 1.00 76.28 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? -3.415 0.526 -1.098 1.00 75.23 11 A 1 ATOM 88 N N . LEU A 1 12 ? -1.221 -1.033 3.497 1.00 91.19 12 A 1 ATOM 89 C CA . LEU A 1 12 ? -0.119 -0.823 4.438 1.00 91.10 12 A 1 ATOM 90 C C . LEU A 1 12 ? 1.044 -1.784 4.172 1.00 91.73 12 A 1 ATOM 91 O O . LEU A 1 12 ? 2.196 -1.355 4.150 1.00 91.28 12 A 1 ATOM 92 C CB . LEU A 1 12 ? -0.645 -0.977 5.873 1.00 90.20 12 A 1 ATOM 93 C CG . LEU A 1 12 ? -0.871 0.377 6.558 1.00 80.85 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? -1.884 0.242 7.683 1.00 77.67 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? 0.439 0.907 7.132 1.00 77.43 12 A 1 ATOM 96 N N . MET A 1 13 ? 0.758 -3.060 3.909 1.00 91.07 13 A 1 ATOM 97 C CA . MET A 1 13 ? 1.784 -4.049 3.547 1.00 90.82 13 A 1 ATOM 98 C C . MET A 1 13 ? 2.497 -3.685 2.246 1.00 91.63 13 A 1 ATOM 99 O O . MET A 1 13 ? 3.718 -3.764 2.182 1.00 90.43 13 A 1 ATOM 100 C CB . MET A 1 13 ? 1.171 -5.445 3.426 1.00 89.54 13 A 1 ATOM 101 C CG . MET A 1 13 ? 1.358 -6.241 4.709 1.00 83.06 13 A 1 ATOM 102 S SD . MET A 1 13 ? 1.512 -8.007 4.399 1.00 73.47 13 A 1 ATOM 103 C CE . MET A 1 13 ? 2.158 -8.571 5.976 1.00 64.96 13 A 1 ATOM 104 N N . LEU A 1 14 ? 1.760 -3.247 1.234 1.00 90.64 14 A 1 ATOM 105 C CA . LEU A 1 14 ? 2.328 -2.812 -0.040 1.00 90.66 14 A 1 ATOM 106 C C . LEU A 1 14 ? 3.250 -1.606 0.153 1.00 91.47 14 A 1 ATOM 107 O O . LEU A 1 14 ? 4.353 -1.576 -0.389 1.00 90.92 14 A 1 ATOM 108 C CB . LEU A 1 14 ? 1.182 -2.477 -1.004 1.00 89.94 14 A 1 ATOM 109 C CG . LEU A 1 14 ? 1.660 -2.328 -2.454 1.00 82.72 14 A 1 ATOM 110 C CD1 . LEU A 1 14 ? 1.745 -3.691 -3.142 1.00 79.56 14 A 1 ATOM 111 C CD2 . LEU A 1 14 ? 0.703 -1.440 -3.238 1.00 78.88 14 A 1 ATOM 112 N N . LEU A 1 15 ? 2.822 -0.627 0.954 1.00 90.61 15 A 1 ATOM 113 C CA . LEU A 1 15 ? 3.613 0.560 1.274 1.00 90.29 15 A 1 ATOM 114 C C . LEU A 1 15 ? 4.900 0.184 2.021 1.00 90.78 15 A 1 ATOM 115 O O . LEU A 1 15 ? 5.970 0.705 1.713 1.00 89.94 15 A 1 ATOM 116 C CB . LEU A 1 15 ? 2.750 1.509 2.117 1.00 89.34 15 A 1 ATOM 117 C CG . LEU A 1 15 ? 3.284 2.950 2.105 1.00 82.41 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? 2.781 3.708 0.878 1.00 78.74 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? 2.833 3.688 3.359 1.00 78.42 15 A 1 ATOM 120 N N . MET A 1 16 ? 4.806 -0.745 2.966 1.00 90.41 16 A 1 ATOM 121 C CA . MET A 1 16 ? 5.949 -1.233 3.744 1.00 90.10 16 A 1 ATOM 122 C C . MET A 1 16 ? 6.948 -1.994 2.863 1.00 90.82 16 A 1 ATOM 123 O O . MET A 1 16 ? 8.153 -1.788 2.983 1.00 89.65 16 A 1 ATOM 124 C CB . MET A 1 16 ? 5.427 -2.095 4.895 1.00 88.72 16 A 1 ATOM 125 C CG . MET A 1 16 ? 6.410 -2.120 6.059 1.00 83.21 16 A 1 ATOM 126 S SD . MET A 1 16 ? 5.726 -2.932 7.515 1.00 73.24 16 A 1 ATOM 127 C CE . MET A 1 16 ? 7.058 -2.646 8.688 1.00 64.53 16 A 1 ATOM 128 N N . LEU A 1 17 ? 6.459 -2.815 1.925 1.00 90.75 17 A 1 ATOM 129 C CA . LEU A 1 17 ? 7.287 -3.507 0.932 1.00 90.89 17 A 1 ATOM 130 C C . LEU A 1 17 ? 7.997 -2.521 0.006 1.00 91.40 17 A 1 ATOM 131 O O . LEU A 1 17 ? 9.194 -2.668 -0.241 1.00 90.43 17 A 1 ATOM 132 C CB . LEU A 1 17 ? 6.404 -4.465 0.116 1.00 89.87 17 A 1 ATOM 133 C CG . LEU A 1 17 ? 6.285 -5.854 0.754 1.00 84.08 17 A 1 ATOM 134 C CD1 . LEU A 1 17 ? 5.049 -6.572 0.229 1.00 81.06 17 A 1 ATOM 135 C CD2 . LEU A 1 17 ? 7.518 -6.692 0.427 1.00 80.38 17 A 1 ATOM 136 N N . LEU A 1 18 ? 7.293 -1.492 -0.463 1.00 91.33 18 A 1 ATOM 137 C CA . LEU A 1 18 ? 7.866 -0.452 -1.318 1.00 91.07 18 A 1 ATOM 138 C C . LEU A 1 18 ? 8.962 0.322 -0.583 1.00 91.34 18 A 1 ATOM 139 O O . LEU A 1 18 ? 10.029 0.574 -1.141 1.00 90.57 18 A 1 ATOM 140 C CB . LEU A 1 18 ? 6.737 0.484 -1.778 1.00 89.63 18 A 1 ATOM 141 C CG . LEU A 1 18 ? 7.089 1.236 -3.069 1.00 84.81 18 A 1 ATOM 142 C CD1 . LEU A 1 18 ? 6.841 0.353 -4.294 1.00 81.35 18 A 1 ATOM 143 C CD2 . LEU A 1 18 ? 6.235 2.492 -3.193 1.00 80.51 18 A 1 ATOM 144 N N . PHE A 1 19 ? 8.725 0.666 0.687 1.00 90.55 19 A 1 ATOM 145 C CA . PHE A 1 19 ? 9.699 1.351 1.532 1.00 89.37 19 A 1 ATOM 146 C C . PHE A 1 19 ? 10.923 0.471 1.806 1.00 89.41 19 A 1 ATOM 147 O O . PHE A 1 19 ? 12.055 0.939 1.675 1.00 87.49 19 A 1 ATOM 148 C CB . PHE A 1 19 ? 9.014 1.778 2.832 1.00 87.81 19 A 1 ATOM 149 C CG . PHE A 1 19 ? 9.883 2.689 3.666 1.00 85.73 19 A 1 ATOM 150 C CD1 . PHE A 1 19 ? 10.645 2.169 4.721 1.00 81.99 19 A 1 ATOM 151 C CD2 . PHE A 1 19 ? 9.948 4.056 3.365 1.00 81.48 19 A 1 ATOM 152 C CE1 . PHE A 1 19 ? 11.470 3.012 5.476 1.00 80.38 19 A 1 ATOM 153 C CE2 . PHE A 1 19 ? 10.775 4.897 4.118 1.00 80.24 19 A 1 ATOM 154 C CZ . PHE A 1 19 ? 11.538 4.380 5.171 1.00 80.23 19 A 1 ATOM 155 N N . ALA A 1 20 ? 10.720 -0.819 2.106 1.00 91.64 20 A 1 ATOM 156 C CA . ALA A 1 20 ? 11.814 -1.763 2.326 1.00 90.90 20 A 1 ATOM 157 C C . ALA A 1 20 ? 12.654 -1.971 1.056 1.00 90.42 20 A 1 ATOM 158 O O . ALA A 1 20 ? 13.881 -1.992 1.132 1.00 86.43 20 A 1 ATOM 159 C CB . ALA A 1 20 ? 11.227 -3.088 2.831 1.00 88.76 20 A 1 ATOM 160 N N . ALA A 1 21 ? 12.017 -2.059 -0.118 1.00 91.35 21 A 1 ATOM 161 C CA . ALA A 1 21 ? 12.718 -2.173 -1.396 1.00 90.02 21 A 1 ATOM 162 C C . ALA A 1 21 ? 13.518 -0.909 -1.735 1.00 88.93 21 A 1 ATOM 163 O O . ALA A 1 21 ? 14.630 -1.006 -2.249 1.00 84.02 21 A 1 ATOM 164 C CB . ALA A 1 21 ? 11.689 -2.489 -2.486 1.00 87.45 21 A 1 ATOM 165 N N . GLY A 1 22 ? 12.977 0.272 -1.421 1.00 88.26 22 A 1 ATOM 166 C CA . GLY A 1 22 ? 13.670 1.547 -1.639 1.00 84.69 22 A 1 ATOM 167 C C . GLY A 1 22 ? 14.798 1.818 -0.644 1.00 83.41 22 A 1 ATOM 168 O O . GLY A 1 22 ? 15.754 2.509 -0.983 1.00 78.56 22 A 1 ATOM 169 N N . SER A 1 23 ? 14.721 1.272 0.565 1.00 82.89 23 A 1 ATOM 170 C CA . SER A 1 23 ? 15.743 1.448 1.610 1.00 79.94 23 A 1 ATOM 171 C C . SER A 1 23 ? 16.930 0.486 1.473 1.00 76.23 23 A 1 ATOM 172 O O . SER A 1 23 ? 17.917 0.634 2.192 1.00 68.08 23 A 1 ATOM 173 C CB . SER A 1 23 ? 15.097 1.292 2.990 1.00 75.13 23 A 1 ATOM 174 O OG . SER A 1 23 ? 16.008 1.671 4.004 1.00 66.64 23 A 1 ATOM 175 N N . GLY A 1 24 ? 16.855 -0.501 0.594 1.00 74.94 24 A 1 ATOM 176 C CA . GLY A 1 24 ? 17.898 -1.515 0.378 1.00 69.85 24 A 1 ATOM 177 C C . GLY A 1 24 ? 18.952 -1.138 -0.669 1.00 67.35 24 A 1 ATOM 178 O O . GLY A 1 24 ? 19.777 -1.979 -1.013 1.00 61.58 24 A 1 ATOM 179 N N . SER A 1 25 ? 18.927 0.094 -1.187 1.00 69.72 25 A 1 ATOM 180 C CA . SER A 1 25 ? 19.880 0.600 -2.184 1.00 66.00 25 A 1 ATOM 181 C C . SER A 1 25 ? 20.609 1.837 -1.694 1.00 60.66 25 A 1 ATOM 182 O O . SER A 1 25 ? 19.976 2.658 -1.004 1.00 53.51 25 A 1 ATOM 183 C CB . SER A 1 25 ? 19.166 0.907 -3.499 1.00 59.28 25 A 1 ATOM 184 O OG . SER A 1 25 ? 18.704 -0.296 -4.088 1.00 53.64 25 A 1 ATOM 185 O OXT . SER A 1 25 ? 21.829 1.967 -2.026 1.00 54.40 25 A 1 #