# 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_spkb11677 # _entry.id spkb11677 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "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 SER 3 1 n MET 4 1 n ARG 5 1 n SER 6 1 n GLY 7 1 n ARG 8 1 n ASP 9 1 n ASN 10 1 n ASN 11 1 n ILE 12 1 n CYS 13 1 n PHE 14 1 n LEU 15 1 n GLY 16 1 n PHE 17 1 n LEU 18 1 n SER 19 1 n PHE 20 1 n ALA 21 1 n LEU 22 1 n ILE 23 1 n SER 24 1 n LEU 25 1 n PRO 26 1 n SER 27 1 n LEU 28 1 n SER 29 1 n LEU 30 1 n ALA 31 # _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 22:31:49)" _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 79.02 _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 65.37 1 1 A ARG 2 2 58.15 1 2 A SER 3 2 61.08 1 3 A MET 4 2 60.73 1 4 A ARG 5 2 61.82 1 5 A SER 6 2 72.59 1 6 A GLY 7 2 81.81 1 7 A ARG 8 2 71.00 1 8 A ASP 9 2 79.75 1 9 A ASN 10 2 81.77 1 10 A ASN 11 2 82.55 1 11 A ILE 12 2 87.53 1 12 A CYS 13 2 91.62 1 13 A PHE 14 2 85.22 1 14 A LEU 15 2 88.19 1 15 A GLY 16 2 94.43 1 16 A PHE 17 2 85.14 1 17 A LEU 18 2 88.26 1 18 A SER 19 2 90.86 1 19 A PHE 20 2 86.12 1 20 A ALA 21 2 91.90 1 21 A LEU 22 2 87.94 1 22 A ILE 23 2 87.42 1 23 A SER 24 2 87.64 1 24 A LEU 25 2 84.25 1 25 A PRO 26 2 86.76 1 26 A SER 27 2 81.26 1 27 A LEU 28 2 76.88 1 28 A SER 29 2 77.34 1 29 A LEU 30 2 72.40 1 30 A ALA 31 2 65.79 1 31 # _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 SER . 3 A 3 A 4 1 n MET . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n ASP . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ILE . 23 A 23 A 24 1 n SER . 24 A 24 A 25 1 n LEU . 25 A 25 A 26 1 n PRO . 26 A 26 A 27 1 n SER . 27 A 27 A 28 1 n LEU . 28 A 28 A 29 1 n SER . 29 A 29 A 30 1 n LEU . 30 A 30 A 31 1 n ALA . 31 A 31 # _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 ? 2.443 -2.618 26.891 1.00 66.08 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.037 -1.207 26.691 1.00 71.91 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.790 -0.914 25.208 1.00 73.31 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.709 -0.978 24.422 1.00 67.09 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.109 -0.257 27.259 1.00 67.50 1 A 1 ATOM 6 C CG . MET A 1 1 ? 3.035 -0.165 28.801 1.00 63.44 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.404 0.804 29.494 1.00 60.01 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.852 1.006 31.200 1.00 53.59 1 A 1 ATOM 9 N N . ARG A 1 2 ? 0.522 -0.644 24.869 1.00 63.50 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -0.051 0.081 23.713 1.00 66.85 2 A 1 ATOM 11 C C . ARG A 1 2 ? 0.506 -0.221 22.315 1.00 67.43 2 A 1 ATOM 12 O O . ARG A 1 2 ? 1.277 0.554 21.750 1.00 63.06 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -0.051 1.592 24.022 1.00 63.72 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -0.977 1.946 25.198 1.00 58.18 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -0.972 3.449 25.476 1.00 57.61 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -1.818 3.770 26.649 1.00 53.41 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -1.779 4.885 27.373 1.00 50.38 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -0.956 5.857 27.099 1.00 48.91 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -2.578 5.036 28.396 1.00 46.61 2 A 1 ATOM 20 N N . SER A 1 3 ? -0.043 -1.255 21.683 1.00 62.60 3 A 1 ATOM 21 C CA . SER A 1 3 ? -0.037 -1.402 20.226 1.00 64.83 3 A 1 ATOM 22 C C . SER A 1 3 ? -1.150 -0.538 19.606 1.00 65.31 3 A 1 ATOM 23 O O . SER A 1 3 ? -2.156 -1.045 19.132 1.00 61.06 3 A 1 ATOM 24 C CB . SER A 1 3 ? -0.185 -2.878 19.847 1.00 60.85 3 A 1 ATOM 25 O OG . SER A 1 3 ? -0.045 -3.028 18.448 1.00 51.80 3 A 1 ATOM 26 N N . MET A 1 4 ? -1.005 0.789 19.656 1.00 65.55 4 A 1 ATOM 27 C CA . MET A 1 4 ? -1.884 1.734 18.929 1.00 67.25 4 A 1 ATOM 28 C C . MET A 1 4 ? -1.358 2.062 17.520 1.00 68.88 4 A 1 ATOM 29 O O . MET A 1 4 ? -1.923 2.894 16.822 1.00 62.75 4 A 1 ATOM 30 C CB . MET A 1 4 ? -2.117 3.009 19.756 1.00 62.80 4 A 1 ATOM 31 C CG . MET A 1 4 ? -3.206 2.818 20.824 1.00 57.24 4 A 1 ATOM 32 S SD . MET A 1 4 ? -3.622 4.364 21.676 1.00 52.66 4 A 1 ATOM 33 C CE . MET A 1 4 ? -5.197 3.901 22.432 1.00 48.68 4 A 1 ATOM 34 N N . ARG A 1 5 ? -0.278 1.418 17.074 1.00 71.42 5 A 1 ATOM 35 C CA . ARG A 1 5 ? 0.310 1.626 15.738 1.00 72.61 5 A 1 ATOM 36 C C . ARG A 1 5 ? -0.377 0.810 14.647 1.00 73.55 5 A 1 ATOM 37 O O . ARG A 1 5 ? -0.346 1.223 13.495 1.00 68.33 5 A 1 ATOM 38 C CB . ARG A 1 5 ? 1.827 1.382 15.794 1.00 68.94 5 A 1 ATOM 39 C CG . ARG A 1 5 ? 2.604 2.688 15.581 1.00 61.62 5 A 1 ATOM 40 C CD . ARG A 1 5 ? 4.106 2.455 15.700 1.00 59.89 5 A 1 ATOM 41 N NE . ARG A 1 5 ? 4.870 3.696 15.447 1.00 55.54 5 A 1 ATOM 42 C CZ . ARG A 1 5 ? 6.132 3.922 15.795 1.00 51.48 5 A 1 ATOM 43 N NH1 . ARG A 1 5 ? 6.846 3.026 16.420 1.00 49.35 5 A 1 ATOM 44 N NH2 . ARG A 1 5 ? 6.702 5.058 15.505 1.00 47.27 5 A 1 ATOM 45 N N . SER A 1 6 ? -1.052 -0.284 15.005 1.00 76.42 6 A 1 ATOM 46 C CA . SER A 1 6 ? -1.596 -1.258 14.049 1.00 77.43 6 A 1 ATOM 47 C C . SER A 1 6 ? -2.590 -0.665 13.041 1.00 78.01 6 A 1 ATOM 48 O O . SER A 1 6 ? -2.531 -0.991 11.860 1.00 70.57 6 A 1 ATOM 49 C CB . SER A 1 6 ? -2.242 -2.398 14.831 1.00 72.22 6 A 1 ATOM 50 O OG . SER A 1 6 ? -2.659 -3.422 13.961 1.00 60.90 6 A 1 ATOM 51 N N . GLY A 1 7 ? -3.467 0.253 13.457 1.00 80.68 7 A 1 ATOM 52 C CA . GLY A 1 7 ? -4.455 0.853 12.545 1.00 81.86 7 A 1 ATOM 53 C C . GLY A 1 7 ? -3.850 1.789 11.496 1.00 84.81 7 A 1 ATOM 54 O O . GLY A 1 7 ? -4.297 1.807 10.348 1.00 79.91 7 A 1 ATOM 55 N N . ARG A 1 8 ? -2.806 2.559 11.860 1.00 82.68 8 A 1 ATOM 56 C CA . ARG A 1 8 ? -2.113 3.457 10.924 1.00 85.25 8 A 1 ATOM 57 C C . ARG A 1 8 ? -1.281 2.675 9.917 1.00 86.84 8 A 1 ATOM 58 O O . ARG A 1 8 ? -1.304 2.998 8.734 1.00 82.43 8 A 1 ATOM 59 C CB . ARG A 1 8 ? -1.254 4.457 11.703 1.00 81.91 8 A 1 ATOM 60 C CG . ARG A 1 8 ? -0.725 5.556 10.775 1.00 70.90 8 A 1 ATOM 61 C CD . ARG A 1 8 ? 0.261 6.464 11.504 1.00 67.29 8 A 1 ATOM 62 N NE . ARG A 1 8 ? 1.544 5.762 11.736 1.00 61.39 8 A 1 ATOM 63 C CZ . ARG A 1 8 ? 2.663 6.318 12.172 1.00 57.19 8 A 1 ATOM 64 N NH1 . ARG A 1 8 ? 2.720 7.583 12.514 1.00 54.10 8 A 1 ATOM 65 N NH2 . ARG A 1 8 ? 3.742 5.598 12.248 1.00 51.07 8 A 1 ATOM 66 N N . ASP A 1 9 ? -0.601 1.641 10.380 1.00 84.32 9 A 1 ATOM 67 C CA . ASP A 1 9 ? 0.255 0.817 9.527 1.00 87.00 9 A 1 ATOM 68 C C . ASP A 1 9 ? -0.590 0.016 8.523 1.00 89.21 9 A 1 ATOM 69 O O . ASP A 1 9 ? -0.246 -0.042 7.343 1.00 85.30 9 A 1 ATOM 70 C CB . ASP A 1 9 ? 1.157 -0.055 10.411 1.00 82.78 9 A 1 ATOM 71 C CG . ASP A 1 9 ? 2.087 0.773 11.322 1.00 73.42 9 A 1 ATOM 72 O OD1 . ASP A 1 9 ? 2.456 1.911 10.955 1.00 65.98 9 A 1 ATOM 73 O OD2 . ASP A 1 9 ? 2.399 0.290 12.428 1.00 69.95 9 A 1 ATOM 74 N N . ASN A 1 10 ? -1.770 -0.466 8.934 1.00 88.08 10 A 1 ATOM 75 C CA . ASN A 1 10 ? -2.723 -1.107 8.021 1.00 88.78 10 A 1 ATOM 76 C C . ASN A 1 10 ? -3.239 -0.145 6.939 1.00 91.20 10 A 1 ATOM 77 O O . ASN A 1 10 ? -3.349 -0.538 5.779 1.00 88.88 10 A 1 ATOM 78 C CB . ASN A 1 10 ? -3.898 -1.688 8.823 1.00 85.63 10 A 1 ATOM 79 C CG . ASN A 1 10 ? -3.542 -2.956 9.574 1.00 75.93 10 A 1 ATOM 80 O OD1 . ASN A 1 10 ? -2.505 -3.564 9.403 1.00 66.28 10 A 1 ATOM 81 N ND2 . ASN A 1 10 ? -4.432 -3.417 10.424 1.00 69.35 10 A 1 ATOM 82 N N . ASN A 1 11 ? -3.518 1.120 7.286 1.00 87.27 11 A 1 ATOM 83 C CA . ASN A 1 11 ? -3.925 2.125 6.301 1.00 88.92 11 A 1 ATOM 84 C C . ASN A 1 11 ? -2.804 2.441 5.305 1.00 90.98 11 A 1 ATOM 85 O O . ASN A 1 11 ? -3.076 2.587 4.118 1.00 89.29 11 A 1 ATOM 86 C CB . ASN A 1 11 ? -4.398 3.398 7.015 1.00 87.11 11 A 1 ATOM 87 C CG . ASN A 1 11 ? -5.829 3.297 7.512 1.00 77.68 11 A 1 ATOM 88 O OD1 . ASN A 1 11 ? -6.631 2.495 7.076 1.00 68.58 11 A 1 ATOM 89 N ND2 . ASN A 1 11 ? -6.214 4.155 8.429 1.00 70.54 11 A 1 ATOM 90 N N . ILE A 1 12 ? -1.555 2.522 5.758 1.00 91.70 12 A 1 ATOM 91 C CA . ILE A 1 12 ? -0.398 2.747 4.882 1.00 92.44 12 A 1 ATOM 92 C C . ILE A 1 12 ? -0.203 1.558 3.936 1.00 93.51 12 A 1 ATOM 93 O O . ILE A 1 12 ? -0.022 1.762 2.735 1.00 91.54 12 A 1 ATOM 94 C CB . ILE A 1 12 ? 0.865 3.038 5.716 1.00 91.65 12 A 1 ATOM 95 C CG1 . ILE A 1 12 ? 0.718 4.391 6.453 1.00 84.60 12 A 1 ATOM 96 C CG2 . ILE A 1 12 ? 2.126 3.062 4.829 1.00 81.19 12 A 1 ATOM 97 C CD1 . ILE A 1 12 ? 1.754 4.595 7.568 1.00 73.65 12 A 1 ATOM 98 N N . CYS A 1 13 ? -0.297 0.333 4.445 1.00 94.04 13 A 1 ATOM 99 C CA . CYS A 1 13 ? -0.216 -0.869 3.617 1.00 94.67 13 A 1 ATOM 100 C C . CYS A 1 13 ? -1.353 -0.929 2.584 1.00 95.27 13 A 1 ATOM 101 O O . CYS A 1 13 ? -1.110 -1.247 1.423 1.00 94.20 13 A 1 ATOM 102 C CB . CYS A 1 13 ? -0.245 -2.108 4.518 1.00 92.76 13 A 1 ATOM 103 S SG . CYS A 1 13 ? 1.304 -2.237 5.457 1.00 78.80 13 A 1 ATOM 104 N N . PHE A 1 14 ? -2.578 -0.575 2.994 1.00 89.08 14 A 1 ATOM 105 C CA . PHE A 1 14 ? -3.732 -0.533 2.097 1.00 89.74 14 A 1 ATOM 106 C C . PHE A 1 14 ? -3.571 0.531 1.004 1.00 91.17 14 A 1 ATOM 107 O O . PHE A 1 14 ? -3.780 0.229 -0.170 1.00 91.28 14 A 1 ATOM 108 C CB . PHE A 1 14 ? -5.003 -0.300 2.921 1.00 89.32 14 A 1 ATOM 109 C CG . PHE A 1 14 ? -6.256 -0.292 2.069 1.00 87.37 14 A 1 ATOM 110 C CD1 . PHE A 1 14 ? -6.849 0.927 1.687 1.00 81.98 14 A 1 ATOM 111 C CD2 . PHE A 1 14 ? -6.801 -1.507 1.623 1.00 82.27 14 A 1 ATOM 112 C CE1 . PHE A 1 14 ? -7.988 0.931 0.863 1.00 78.27 14 A 1 ATOM 113 C CE2 . PHE A 1 14 ? -7.939 -1.505 0.794 1.00 78.59 14 A 1 ATOM 114 C CZ . PHE A 1 14 ? -8.533 -0.287 0.414 1.00 78.36 14 A 1 ATOM 115 N N . LEU A 1 15 ? -3.137 1.749 1.350 1.00 93.23 15 A 1 ATOM 116 C CA . LEU A 1 15 ? -2.843 2.791 0.361 1.00 93.02 15 A 1 ATOM 117 C C . LEU A 1 15 ? -1.721 2.378 -0.594 1.00 93.38 15 A 1 ATOM 118 O O . LEU A 1 15 ? -1.827 2.622 -1.791 1.00 92.90 15 A 1 ATOM 119 C CB . LEU A 1 15 ? -2.460 4.115 1.047 1.00 92.60 15 A 1 ATOM 120 C CG . LEU A 1 15 ? -3.616 5.134 1.084 1.00 83.83 15 A 1 ATOM 121 C CD1 . LEU A 1 15 ? -4.572 4.874 2.240 1.00 78.18 15 A 1 ATOM 122 C CD2 . LEU A 1 15 ? -3.048 6.549 1.224 1.00 78.35 15 A 1 ATOM 123 N N . GLY A 1 16 ? -0.674 1.749 -0.079 1.00 94.72 16 A 1 ATOM 124 C CA . GLY A 1 16 ? 0.423 1.235 -0.900 1.00 94.24 16 A 1 ATOM 125 C C . GLY A 1 16 ? -0.050 0.188 -1.904 1.00 94.91 16 A 1 ATOM 126 O O . GLY A 1 16 ? 0.262 0.289 -3.091 1.00 93.86 16 A 1 ATOM 127 N N . PHE A 1 17 ? -0.867 -0.754 -1.448 1.00 93.14 17 A 1 ATOM 128 C CA . PHE A 1 17 ? -1.464 -1.771 -2.315 1.00 92.72 17 A 1 ATOM 129 C C . PHE A 1 17 ? -2.389 -1.155 -3.373 1.00 93.19 17 A 1 ATOM 130 O O . PHE A 1 17 ? -2.289 -1.500 -4.552 1.00 92.21 17 A 1 ATOM 131 C CB . PHE A 1 17 ? -2.226 -2.781 -1.450 1.00 91.65 17 A 1 ATOM 132 C CG . PHE A 1 17 ? -2.894 -3.864 -2.270 1.00 85.31 17 A 1 ATOM 133 C CD1 . PHE A 1 17 ? -4.260 -3.773 -2.599 1.00 80.66 17 A 1 ATOM 134 C CD2 . PHE A 1 17 ? -2.132 -4.944 -2.753 1.00 80.01 17 A 1 ATOM 135 C CE1 . PHE A 1 17 ? -4.863 -4.756 -3.402 1.00 75.83 17 A 1 ATOM 136 C CE2 . PHE A 1 17 ? -2.735 -5.926 -3.559 1.00 76.15 17 A 1 ATOM 137 C CZ . PHE A 1 17 ? -4.099 -5.833 -3.885 1.00 75.72 17 A 1 ATOM 138 N N . LEU A 1 18 ? -3.243 -0.211 -2.974 1.00 93.61 18 A 1 ATOM 139 C CA . LEU A 1 18 ? -4.145 0.477 -3.895 1.00 92.84 18 A 1 ATOM 140 C C . LEU A 1 18 ? -3.372 1.272 -4.952 1.00 92.91 18 A 1 ATOM 141 O O . LEU A 1 18 ? -3.703 1.203 -6.133 1.00 92.63 18 A 1 ATOM 142 C CB . LEU A 1 18 ? -5.082 1.380 -3.079 1.00 92.15 18 A 1 ATOM 143 C CG . LEU A 1 18 ? -6.197 2.031 -3.918 1.00 84.35 18 A 1 ATOM 144 C CD1 . LEU A 1 18 ? -7.186 0.997 -4.458 1.00 78.83 18 A 1 ATOM 145 C CD2 . LEU A 1 18 ? -6.969 3.028 -3.050 1.00 78.78 18 A 1 ATOM 146 N N . SER A 1 19 ? -2.318 1.985 -4.557 1.00 93.84 19 A 1 ATOM 147 C CA . SER A 1 19 ? -1.452 2.723 -5.482 1.00 93.37 19 A 1 ATOM 148 C C . SER A 1 19 ? -0.757 1.782 -6.465 1.00 93.08 19 A 1 ATOM 149 O O . SER A 1 19 ? -0.746 2.047 -7.665 1.00 91.76 19 A 1 ATOM 150 C CB . SER A 1 19 ? -0.397 3.525 -4.716 1.00 92.30 19 A 1 ATOM 151 O OG . SER A 1 19 ? -1.007 4.448 -3.834 1.00 80.79 19 A 1 ATOM 152 N N . PHE A 1 20 ? -0.231 0.666 -5.973 1.00 92.70 20 A 1 ATOM 153 C CA . PHE A 1 20 ? 0.384 -0.350 -6.828 1.00 91.74 20 A 1 ATOM 154 C C . PHE A 1 20 ? -0.621 -0.943 -7.822 1.00 91.76 20 A 1 ATOM 155 O O . PHE A 1 20 ? -0.315 -1.047 -9.010 1.00 90.53 20 A 1 ATOM 156 C CB . PHE A 1 20 ? 0.997 -1.442 -5.948 1.00 90.74 20 A 1 ATOM 157 C CG . PHE A 1 20 ? 1.639 -2.550 -6.754 1.00 87.21 20 A 1 ATOM 158 C CD1 . PHE A 1 20 ? 0.939 -3.745 -7.011 1.00 82.63 20 A 1 ATOM 159 C CD2 . PHE A 1 20 ? 2.925 -2.364 -7.290 1.00 82.22 20 A 1 ATOM 160 C CE1 . PHE A 1 20 ? 1.523 -4.752 -7.799 1.00 79.32 20 A 1 ATOM 161 C CE2 . PHE A 1 20 ? 3.507 -3.372 -8.082 1.00 79.60 20 A 1 ATOM 162 C CZ . PHE A 1 20 ? 2.808 -4.564 -8.338 1.00 78.88 20 A 1 ATOM 163 N N . ALA A 1 21 ? -1.837 -1.265 -7.365 1.00 93.21 21 A 1 ATOM 164 C CA . ALA A 1 21 ? -2.897 -1.775 -8.230 1.00 92.37 21 A 1 ATOM 165 C C . ALA A 1 21 ? -3.278 -0.756 -9.318 1.00 92.08 21 A 1 ATOM 166 O O . ALA A 1 21 ? -3.350 -1.118 -10.490 1.00 90.26 21 A 1 ATOM 167 C CB . ALA A 1 21 ? -4.101 -2.165 -7.362 1.00 91.57 21 A 1 ATOM 168 N N . LEU A 1 22 ? -3.433 0.525 -8.963 1.00 92.12 22 A 1 ATOM 169 C CA . LEU A 1 22 ? -3.762 1.591 -9.915 1.00 91.36 22 A 1 ATOM 170 C C . LEU A 1 22 ? -2.661 1.827 -10.956 1.00 90.99 22 A 1 ATOM 171 O O . LEU A 1 22 ? -2.972 2.150 -12.098 1.00 89.38 22 A 1 ATOM 172 C CB . LEU A 1 22 ? -4.047 2.889 -9.145 1.00 90.44 22 A 1 ATOM 173 C CG . LEU A 1 22 ? -5.389 2.894 -8.387 1.00 86.91 22 A 1 ATOM 174 C CD1 . LEU A 1 22 ? -5.462 4.139 -7.501 1.00 81.13 22 A 1 ATOM 175 C CD2 . LEU A 1 22 ? -6.588 2.909 -9.335 1.00 81.19 22 A 1 ATOM 176 N N . ILE A 1 23 ? -1.389 1.658 -10.586 1.00 91.42 23 A 1 ATOM 177 C CA . ILE A 1 23 ? -0.260 1.777 -11.523 1.00 90.54 23 A 1 ATOM 178 C C . ILE A 1 23 ? -0.151 0.525 -12.405 1.00 90.18 23 A 1 ATOM 179 O O . ILE A 1 23 ? 0.191 0.623 -13.584 1.00 87.99 23 A 1 ATOM 180 C CB . ILE A 1 23 ? 1.039 2.058 -10.738 1.00 89.43 23 A 1 ATOM 181 C CG1 . ILE A 1 23 ? 0.970 3.446 -10.051 1.00 86.44 23 A 1 ATOM 182 C CG2 . ILE A 1 23 ? 2.278 2.002 -11.651 1.00 84.08 23 A 1 ATOM 183 C CD1 . ILE A 1 23 ? 2.003 3.624 -8.932 1.00 79.26 23 A 1 ATOM 184 N N . SER A 1 24 ? -0.465 -0.641 -11.849 1.00 92.03 24 A 1 ATOM 185 C CA . SER A 1 24 ? -0.335 -1.917 -12.563 1.00 90.96 24 A 1 ATOM 186 C C . SER A 1 24 ? -1.506 -2.196 -13.511 1.00 89.88 24 A 1 ATOM 187 O O . SER A 1 24 ? -1.303 -2.837 -14.540 1.00 86.28 24 A 1 ATOM 188 C CB . SER A 1 24 ? -0.189 -3.070 -11.569 1.00 88.70 24 A 1 ATOM 189 O OG . SER A 1 24 ? 0.926 -2.851 -10.725 1.00 78.02 24 A 1 ATOM 190 N N . LEU A 1 25 ? -2.717 -1.693 -13.214 1.00 91.16 25 A 1 ATOM 191 C CA . LEU A 1 25 ? -3.889 -1.853 -14.088 1.00 89.90 25 A 1 ATOM 192 C C . LEU A 1 25 ? -3.673 -1.295 -15.511 1.00 89.95 25 A 1 ATOM 193 O O . LEU A 1 25 ? -3.944 -2.025 -16.467 1.00 87.47 25 A 1 ATOM 194 C CB . LEU A 1 25 ? -5.145 -1.235 -13.442 1.00 86.93 25 A 1 ATOM 195 C CG . LEU A 1 25 ? -6.197 -2.272 -13.013 1.00 80.88 25 A 1 ATOM 196 C CD1 . LEU A 1 25 ? -5.780 -3.000 -11.734 1.00 73.49 25 A 1 ATOM 197 C CD2 . LEU A 1 25 ? -7.531 -1.571 -12.757 1.00 74.18 25 A 1 ATOM 198 N N . PRO A 1 26 ? -3.172 -0.057 -15.688 1.00 89.24 26 A 1 ATOM 199 C CA . PRO A 1 26 ? -2.892 0.479 -17.026 1.00 88.81 26 A 1 ATOM 200 C C . PRO A 1 26 ? -1.835 -0.337 -17.769 1.00 88.24 26 A 1 ATOM 201 O O . PRO A 1 26 ? -1.973 -0.566 -18.967 1.00 84.11 26 A 1 ATOM 202 C CB . PRO A 1 26 ? -2.417 1.920 -16.808 1.00 86.35 26 A 1 ATOM 203 C CG . PRO A 1 26 ? -2.973 2.292 -15.445 1.00 83.57 26 A 1 ATOM 204 C CD . PRO A 1 26 ? -2.969 0.964 -14.693 1.00 86.97 26 A 1 ATOM 205 N N . SER A 1 27 ? -0.815 -0.814 -17.056 1.00 86.37 27 A 1 ATOM 206 C CA . SER A 1 27 ? 0.240 -1.655 -17.631 1.00 85.11 27 A 1 ATOM 207 C C . SER A 1 27 ? -0.287 -3.009 -18.106 1.00 83.88 27 A 1 ATOM 208 O O . SER A 1 27 ? 0.219 -3.545 -19.085 1.00 79.89 27 A 1 ATOM 209 C CB . SER A 1 27 ? 1.357 -1.879 -16.610 1.00 81.69 27 A 1 ATOM 210 O OG . SER A 1 27 ? 1.857 -0.643 -16.133 1.00 70.64 27 A 1 ATOM 211 N N . LEU A 1 28 ? -1.308 -3.547 -17.436 1.00 84.19 28 A 1 ATOM 212 C CA . LEU A 1 28 ? -1.968 -4.791 -17.845 1.00 82.88 28 A 1 ATOM 213 C C . LEU A 1 28 ? -2.914 -4.586 -19.039 1.00 83.66 28 A 1 ATOM 214 O O . LEU A 1 28 ? -3.101 -5.500 -19.834 1.00 80.28 28 A 1 ATOM 215 C CB . LEU A 1 28 ? -2.730 -5.383 -16.645 1.00 79.56 28 A 1 ATOM 216 C CG . LEU A 1 28 ? -2.558 -6.905 -16.526 1.00 72.19 28 A 1 ATOM 217 C CD1 . LEU A 1 28 ? -1.270 -7.233 -15.759 1.00 66.64 28 A 1 ATOM 218 C CD2 . LEU A 1 28 ? -3.730 -7.522 -15.767 1.00 65.63 28 A 1 ATOM 219 N N . SER A 1 29 ? -3.499 -3.394 -19.163 1.00 81.67 29 A 1 ATOM 220 C CA . SER A 1 29 ? -4.392 -3.038 -20.276 1.00 80.81 29 A 1 ATOM 221 C C . SER A 1 29 ? -3.647 -2.653 -21.558 1.00 79.80 29 A 1 ATOM 222 O O . SER A 1 29 ? -4.292 -2.454 -22.588 1.00 76.22 29 A 1 ATOM 223 C CB . SER A 1 29 ? -5.308 -1.894 -19.841 1.00 77.70 29 A 1 ATOM 224 O OG . SER A 1 29 ? -6.306 -1.653 -20.826 1.00 67.85 29 A 1 ATOM 225 N N . LEU A 1 30 ? -2.324 -2.491 -21.498 1.00 79.86 30 A 1 ATOM 226 C CA . LEU A 1 30 ? -1.472 -2.123 -22.633 1.00 78.90 30 A 1 ATOM 227 C C . LEU A 1 30 ? -0.707 -3.326 -23.212 1.00 78.49 30 A 1 ATOM 228 O O . LEU A 1 30 ? 0.091 -3.142 -24.128 1.00 74.82 30 A 1 ATOM 229 C CB . LEU A 1 30 ? -0.533 -0.975 -22.213 1.00 74.79 30 A 1 ATOM 230 C CG . LEU A 1 30 ? -0.406 0.117 -23.287 1.00 67.45 30 A 1 ATOM 231 C CD1 . LEU A 1 30 ? -1.503 1.173 -23.108 1.00 63.21 30 A 1 ATOM 232 C CD2 . LEU A 1 30 ? 0.945 0.821 -23.185 1.00 61.70 30 A 1 ATOM 233 N N . ALA A 1 31 ? -0.918 -4.510 -22.653 1.00 73.75 31 A 1 ATOM 234 C CA . ALA A 1 31 ? -0.322 -5.767 -23.094 1.00 71.49 31 A 1 ATOM 235 C C . ALA A 1 31 ? -1.303 -6.604 -23.917 1.00 66.26 31 A 1 ATOM 236 O O . ALA A 1 31 ? -2.513 -6.579 -23.601 1.00 61.25 31 A 1 ATOM 237 C CB . ALA A 1 31 ? 0.205 -6.523 -21.878 1.00 64.57 31 A 1 ATOM 238 O OXT . ALA A 1 31 ? -0.818 -7.295 -24.848 1.00 57.40 31 A 1 #