# 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_spkb37640 # _entry.id spkb37640 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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 LYS 3 1 n ILE 4 1 n PHE 5 1 n PHE 6 1 n PHE 7 1 n VAL 8 1 n LEU 9 1 n MET 10 1 n ILE 11 1 n ALA 12 1 n ILE 13 1 n ILE 14 1 n GLY 15 1 n SER 16 1 n THR 17 1 n PHE 18 1 n LEU 19 1 n ILE 20 1 n GLU 21 1 n GLU 22 1 n ALA 23 1 n LEU 24 1 n GLY 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 @ 2025-07-05 05:52:10)" _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 93.98 _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 86.05 1 1 A GLY 2 2 97.04 1 2 A LYS 3 2 91.44 1 3 A ILE 4 2 95.72 1 4 A PHE 5 2 94.27 1 5 A PHE 6 2 94.39 1 6 A PHE 7 2 94.09 1 7 A VAL 8 2 97.61 1 8 A LEU 9 2 95.56 1 9 A MET 10 2 91.10 1 10 A ILE 11 2 96.43 1 11 A ALA 12 2 98.41 1 12 A ILE 13 2 97.22 1 13 A ILE 14 2 96.90 1 14 A GLY 15 2 97.94 1 15 A SER 16 2 96.40 1 16 A THR 17 2 95.66 1 17 A PHE 18 2 92.80 1 18 A LEU 19 2 94.61 1 19 A ILE 20 2 95.63 1 20 A GLU 21 2 89.61 1 21 A GLU 22 2 89.96 1 22 A ALA 23 2 97.35 1 23 A LEU 24 2 93.65 1 24 A GLY 25 2 85.86 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 GLY . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n MET . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n GLY . 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 ? -19.551 -2.070 0.496 1.00 94.37 1 A 1 ATOM 2 C CA . MET A 1 1 ? -18.456 -1.466 1.286 1.00 95.10 1 A 1 ATOM 3 C C . MET A 1 1 ? -17.107 -2.170 1.103 1.00 95.25 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.107 -1.480 0.997 1.00 90.72 1 A 1 ATOM 5 C CB . MET A 1 1 ? -18.840 -1.361 2.767 1.00 89.71 1 A 1 ATOM 6 C CG . MET A 1 1 ? -19.886 -0.248 2.961 1.00 80.92 1 A 1 ATOM 7 S SD . MET A 1 1 ? -20.403 -0.059 4.677 1.00 75.38 1 A 1 ATOM 8 C CE . MET A 1 1 ? -21.512 1.358 4.534 1.00 66.94 1 A 1 ATOM 9 N N . GLY A 1 2 ? -17.069 -3.490 0.959 1.00 97.14 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -15.804 -4.240 0.835 1.00 97.33 2 A 1 ATOM 11 C C . GLY A 1 2 ? -14.891 -3.835 -0.333 1.00 97.59 2 A 1 ATOM 12 O O . GLY A 1 2 ? -13.672 -3.857 -0.187 1.00 96.10 2 A 1 ATOM 13 N N . LYS A 1 3 ? -15.449 -3.399 -1.480 1.00 97.79 3 A 1 ATOM 14 C CA . LYS A 1 3 ? -14.640 -2.951 -2.631 1.00 97.93 3 A 1 ATOM 15 C C . LYS A 1 3 ? -13.822 -1.692 -2.322 1.00 98.10 3 A 1 ATOM 16 O O . LYS A 1 3 ? -12.646 -1.647 -2.651 1.00 97.38 3 A 1 ATOM 17 C CB . LYS A 1 3 ? -15.527 -2.729 -3.869 1.00 97.07 3 A 1 ATOM 18 C CG . LYS A 1 3 ? -16.161 -4.029 -4.387 1.00 92.64 3 A 1 ATOM 19 C CD . LYS A 1 3 ? -16.956 -3.776 -5.680 1.00 87.71 3 A 1 ATOM 20 C CE . LYS A 1 3 ? -17.587 -5.075 -6.185 1.00 81.46 3 A 1 ATOM 21 N NZ . LYS A 1 3 ? -18.351 -4.873 -7.451 1.00 72.84 3 A 1 ATOM 22 N N . ILE A 1 4 ? -14.416 -0.706 -1.654 1.00 98.19 4 A 1 ATOM 23 C CA . ILE A 1 4 ? -13.726 0.541 -1.286 1.00 98.30 4 A 1 ATOM 24 C C . ILE A 1 4 ? -12.581 0.241 -0.318 1.00 98.44 4 A 1 ATOM 25 O O . ILE A 1 4 ? -11.469 0.721 -0.514 1.00 98.14 4 A 1 ATOM 26 C CB . ILE A 1 4 ? -14.714 1.563 -0.690 1.00 97.88 4 A 1 ATOM 27 C CG1 . ILE A 1 4 ? -15.780 1.949 -1.746 1.00 94.96 4 A 1 ATOM 28 C CG2 . ILE A 1 4 ? -13.967 2.818 -0.190 1.00 93.30 4 A 1 ATOM 29 C CD1 . ILE A 1 4 ? -16.917 2.808 -1.191 1.00 86.51 4 A 1 ATOM 30 N N . PHE A 1 5 ? -12.834 -0.613 0.685 1.00 98.11 5 A 1 ATOM 31 C CA . PHE A 1 5 ? -11.807 -1.042 1.633 1.00 98.10 5 A 1 ATOM 32 C C . PHE A 1 5 ? -10.620 -1.713 0.925 1.00 98.33 5 A 1 ATOM 33 O O . PHE A 1 5 ? -9.472 -1.394 1.223 1.00 98.22 5 A 1 ATOM 34 C CB . PHE A 1 5 ? -12.439 -1.989 2.657 1.00 97.68 5 A 1 ATOM 35 C CG . PHE A 1 5 ? -11.440 -2.481 3.680 1.00 95.13 5 A 1 ATOM 36 C CD1 . PHE A 1 5 ? -10.807 -3.725 3.516 1.00 91.26 5 A 1 ATOM 37 C CD2 . PHE A 1 5 ? -11.111 -1.669 4.777 1.00 91.69 5 A 1 ATOM 38 C CE1 . PHE A 1 5 ? -9.851 -4.159 4.446 1.00 89.18 5 A 1 ATOM 39 C CE2 . PHE A 1 5 ? -10.156 -2.101 5.708 1.00 89.48 5 A 1 ATOM 40 C CZ . PHE A 1 5 ? -9.525 -3.345 5.542 1.00 89.82 5 A 1 ATOM 41 N N . PHE A 1 6 ? -10.887 -2.589 -0.062 1.00 98.41 6 A 1 ATOM 42 C CA . PHE A 1 6 ? -9.842 -3.243 -0.851 1.00 98.48 6 A 1 ATOM 43 C C . PHE A 1 6 ? -8.977 -2.230 -1.623 1.00 98.58 6 A 1 ATOM 44 O O . PHE A 1 6 ? -7.753 -2.332 -1.597 1.00 98.38 6 A 1 ATOM 45 C CB . PHE A 1 6 ? -10.494 -4.255 -1.798 1.00 98.16 6 A 1 ATOM 46 C CG . PHE A 1 6 ? -9.486 -4.995 -2.641 1.00 95.01 6 A 1 ATOM 47 C CD1 . PHE A 1 6 ? -9.185 -4.552 -3.939 1.00 91.66 6 A 1 ATOM 48 C CD2 . PHE A 1 6 ? -8.816 -6.106 -2.110 1.00 92.08 6 A 1 ATOM 49 C CE1 . PHE A 1 6 ? -8.220 -5.220 -4.704 1.00 89.40 6 A 1 ATOM 50 C CE2 . PHE A 1 6 ? -7.849 -6.774 -2.872 1.00 89.22 6 A 1 ATOM 51 C CZ . PHE A 1 6 ? -7.552 -6.332 -4.168 1.00 88.92 6 A 1 ATOM 52 N N . PHE A 1 7 ? -9.586 -1.220 -2.265 1.00 98.32 7 A 1 ATOM 53 C CA . PHE A 1 7 ? -8.839 -0.175 -2.967 1.00 98.38 7 A 1 ATOM 54 C C . PHE A 1 7 ? -7.980 0.665 -2.015 1.00 98.54 7 A 1 ATOM 55 O O . PHE A 1 7 ? -6.813 0.916 -2.307 1.00 98.43 7 A 1 ATOM 56 C CB . PHE A 1 7 ? -9.799 0.727 -3.752 1.00 98.09 7 A 1 ATOM 57 C CG . PHE A 1 7 ? -10.272 0.120 -5.057 1.00 94.96 7 A 1 ATOM 58 C CD1 . PHE A 1 7 ? -9.363 -0.043 -6.112 1.00 91.06 7 A 1 ATOM 59 C CD2 . PHE A 1 7 ? -11.609 -0.262 -5.226 1.00 91.56 7 A 1 ATOM 60 C CE1 . PHE A 1 7 ? -9.781 -0.606 -7.325 1.00 88.78 7 A 1 ATOM 61 C CE2 . PHE A 1 7 ? -12.035 -0.826 -6.437 1.00 89.00 7 A 1 ATOM 62 C CZ . PHE A 1 7 ? -11.119 -1.004 -7.487 1.00 87.92 7 A 1 ATOM 63 N N . VAL A 1 8 ? -8.525 1.064 -0.862 1.00 98.17 8 A 1 ATOM 64 C CA . VAL A 1 8 ? -7.771 1.810 0.159 1.00 98.25 8 A 1 ATOM 65 C C . VAL A 1 8 ? -6.589 0.983 0.663 1.00 98.35 8 A 1 ATOM 66 O O . VAL A 1 8 ? -5.482 1.507 0.772 1.00 98.18 8 A 1 ATOM 67 C CB . VAL A 1 8 ? -8.696 2.227 1.314 1.00 97.96 8 A 1 ATOM 68 C CG1 . VAL A 1 8 ? -7.926 2.871 2.470 1.00 96.31 8 A 1 ATOM 69 C CG2 . VAL A 1 8 ? -9.734 3.247 0.831 1.00 96.05 8 A 1 ATOM 70 N N . LEU A 1 9 ? -6.794 -0.312 0.910 1.00 98.45 9 A 1 ATOM 71 C CA . LEU A 1 9 ? -5.734 -1.223 1.336 1.00 98.35 9 A 1 ATOM 72 C C . LEU A 1 9 ? -4.638 -1.361 0.272 1.00 98.38 9 A 1 ATOM 73 O O . LEU A 1 9 ? -3.461 -1.290 0.611 1.00 98.20 9 A 1 ATOM 74 C CB . LEU A 1 9 ? -6.367 -2.581 1.687 1.00 98.04 9 A 1 ATOM 75 C CG . LEU A 1 9 ? -5.358 -3.612 2.223 1.00 93.33 9 A 1 ATOM 76 C CD1 . LEU A 1 9 ? -4.774 -3.185 3.571 1.00 89.86 9 A 1 ATOM 77 C CD2 . LEU A 1 9 ? -6.058 -4.959 2.402 1.00 89.88 9 A 1 ATOM 78 N N . MET A 1 10 ? -4.997 -1.521 -1.009 1.00 98.43 10 A 1 ATOM 79 C CA . MET A 1 10 ? -4.014 -1.564 -2.103 1.00 98.35 10 A 1 ATOM 80 C C . MET A 1 10 ? -3.171 -0.290 -2.165 1.00 98.41 10 A 1 ATOM 81 O O . MET A 1 10 ? -1.950 -0.379 -2.251 1.00 98.15 10 A 1 ATOM 82 C CB . MET A 1 10 ? -4.699 -1.777 -3.461 1.00 97.77 10 A 1 ATOM 83 C CG . MET A 1 10 ? -4.730 -3.241 -3.869 1.00 88.23 10 A 1 ATOM 84 S SD . MET A 1 10 ? -4.744 -3.473 -5.673 1.00 80.76 10 A 1 ATOM 85 C CE . MET A 1 10 ? -2.971 -3.535 -6.018 1.00 68.71 10 A 1 ATOM 86 N N . ILE A 1 11 ? -3.802 0.885 -2.103 1.00 98.46 11 A 1 ATOM 87 C CA . ILE A 1 11 ? -3.092 2.168 -2.136 1.00 98.43 11 A 1 ATOM 88 C C . ILE A 1 11 ? -2.144 2.285 -0.938 1.00 98.43 11 A 1 ATOM 89 O O . ILE A 1 11 ? -1.002 2.705 -1.103 1.00 98.08 11 A 1 ATOM 90 C CB . ILE A 1 11 ? -4.099 3.335 -2.189 1.00 98.13 11 A 1 ATOM 91 C CG1 . ILE A 1 11 ? -4.847 3.332 -3.543 1.00 96.34 11 A 1 ATOM 92 C CG2 . ILE A 1 11 ? -3.393 4.692 -1.992 1.00 95.23 11 A 1 ATOM 93 C CD1 . ILE A 1 11 ? -6.090 4.224 -3.555 1.00 88.34 11 A 1 ATOM 94 N N . ALA A 1 12 ? -2.586 1.873 0.250 1.00 98.65 12 A 1 ATOM 95 C CA . ALA A 1 12 ? -1.750 1.901 1.448 1.00 98.59 12 A 1 ATOM 96 C C . ALA A 1 12 ? -0.518 0.985 1.319 1.00 98.53 12 A 1 ATOM 97 O O . ALA A 1 12 ? 0.583 1.396 1.684 1.00 97.90 12 A 1 ATOM 98 C CB . ALA A 1 12 ? -2.611 1.519 2.656 1.00 98.40 12 A 1 ATOM 99 N N . ILE A 1 13 ? -0.676 -0.221 0.760 1.00 98.57 13 A 1 ATOM 100 C CA . ILE A 1 13 ? 0.430 -1.159 0.530 1.00 98.48 13 A 1 ATOM 101 C C . ILE A 1 13 ? 1.419 -0.573 -0.480 1.00 98.38 13 A 1 ATOM 102 O O . ILE A 1 13 ? 2.611 -0.502 -0.180 1.00 97.88 13 A 1 ATOM 103 C CB . ILE A 1 13 ? -0.100 -2.540 0.097 1.00 98.32 13 A 1 ATOM 104 C CG1 . ILE A 1 13 ? -0.848 -3.209 1.272 1.00 97.08 13 A 1 ATOM 105 C CG2 . ILE A 1 13 ? 1.052 -3.454 -0.369 1.00 96.54 13 A 1 ATOM 106 C CD1 . ILE A 1 13 ? -1.696 -4.411 0.853 1.00 92.53 13 A 1 ATOM 107 N N . ILE A 1 14 ? 0.948 -0.100 -1.630 1.00 98.50 14 A 1 ATOM 108 C CA . ILE A 1 14 ? 1.810 0.488 -2.669 1.00 98.32 14 A 1 ATOM 109 C C . ILE A 1 14 ? 2.557 1.714 -2.125 1.00 98.23 14 A 1 ATOM 110 O O . ILE A 1 14 ? 3.763 1.846 -2.325 1.00 97.71 14 A 1 ATOM 111 C CB . ILE A 1 14 ? 0.977 0.835 -3.920 1.00 97.98 14 A 1 ATOM 112 C CG1 . ILE A 1 14 ? 0.428 -0.450 -4.582 1.00 96.50 14 A 1 ATOM 113 C CG2 . ILE A 1 14 ? 1.819 1.627 -4.943 1.00 96.00 14 A 1 ATOM 114 C CD1 . ILE A 1 14 ? -0.686 -0.183 -5.599 1.00 91.99 14 A 1 ATOM 115 N N . GLY A 1 15 ? 1.866 2.582 -1.393 1.00 98.29 15 A 1 ATOM 116 C CA . GLY A 1 15 ? 2.497 3.740 -0.760 1.00 98.09 15 A 1 ATOM 117 C C . GLY A 1 15 ? 3.559 3.346 0.265 1.00 98.07 15 A 1 ATOM 118 O O . GLY A 1 15 ? 4.635 3.939 0.291 1.00 97.30 15 A 1 ATOM 119 N N . SER A 1 16 ? 3.312 2.311 1.071 1.00 98.35 16 A 1 ATOM 120 C CA . SER A 1 16 ? 4.298 1.832 2.044 1.00 98.18 16 A 1 ATOM 121 C C . SER A 1 16 ? 5.522 1.206 1.379 1.00 98.21 16 A 1 ATOM 122 O O . SER A 1 16 ? 6.636 1.465 1.825 1.00 97.13 16 A 1 ATOM 123 C CB . SER A 1 16 ? 3.666 0.865 3.047 1.00 97.54 16 A 1 ATOM 124 O OG . SER A 1 16 ? 3.284 -0.367 2.471 1.00 88.99 16 A 1 ATOM 125 N N . THR A 1 17 ? 5.350 0.440 0.292 1.00 98.15 17 A 1 ATOM 126 C CA . THR A 1 17 ? 6.484 -0.139 -0.438 1.00 98.08 17 A 1 ATOM 127 C C . THR A 1 17 ? 7.338 0.933 -1.099 1.00 98.14 17 A 1 ATOM 128 O O . THR A 1 17 ? 8.558 0.839 -1.033 1.00 97.21 17 A 1 ATOM 129 C CB . THR A 1 17 ? 6.037 -1.160 -1.493 1.00 97.47 17 A 1 ATOM 130 O OG1 . THR A 1 17 ? 5.055 -0.650 -2.360 1.00 91.79 17 A 1 ATOM 131 C CG2 . THR A 1 17 ? 5.449 -2.409 -0.841 1.00 88.80 17 A 1 ATOM 132 N N . PHE A 1 18 ? 6.720 1.979 -1.646 1.00 98.15 18 A 1 ATOM 133 C CA . PHE A 1 18 ? 7.443 3.108 -2.225 1.00 97.98 18 A 1 ATOM 134 C C . PHE A 1 18 ? 8.289 3.847 -1.179 1.00 98.06 18 A 1 ATOM 135 O O . PHE A 1 18 ? 9.467 4.104 -1.406 1.00 97.25 18 A 1 ATOM 136 C CB . PHE A 1 18 ? 6.432 4.046 -2.889 1.00 97.57 18 A 1 ATOM 137 C CG . PHE A 1 18 ? 7.082 5.223 -3.577 1.00 94.80 18 A 1 ATOM 138 C CD1 . PHE A 1 18 ? 7.172 6.466 -2.922 1.00 88.15 18 A 1 ATOM 139 C CD2 . PHE A 1 18 ? 7.656 5.055 -4.847 1.00 88.71 18 A 1 ATOM 140 C CE1 . PHE A 1 18 ? 7.838 7.538 -3.535 1.00 86.38 18 A 1 ATOM 141 C CE2 . PHE A 1 18 ? 8.328 6.125 -5.464 1.00 87.93 18 A 1 ATOM 142 C CZ . PHE A 1 18 ? 8.422 7.367 -4.806 1.00 85.84 18 A 1 ATOM 143 N N . LEU A 1 19 ? 7.727 4.115 0.001 1.00 97.96 19 A 1 ATOM 144 C CA . LEU A 1 19 ? 8.467 4.766 1.091 1.00 97.94 19 A 1 ATOM 145 C C . LEU A 1 19 ? 9.629 3.905 1.608 1.00 98.02 19 A 1 ATOM 146 O O . LEU A 1 19 ? 10.677 4.437 1.962 1.00 97.51 19 A 1 ATOM 147 C CB . LEU A 1 19 ? 7.504 5.074 2.245 1.00 97.58 19 A 1 ATOM 148 C CG . LEU A 1 19 ? 6.487 6.186 1.951 1.00 93.62 19 A 1 ATOM 149 C CD1 . LEU A 1 19 ? 5.485 6.264 3.105 1.00 87.04 19 A 1 ATOM 150 C CD2 . LEU A 1 19 ? 7.156 7.552 1.802 1.00 87.21 19 A 1 ATOM 151 N N . ILE A 1 20 ? 9.456 2.576 1.657 1.00 98.13 20 A 1 ATOM 152 C CA . ILE A 1 20 ? 10.522 1.650 2.061 1.00 98.05 20 A 1 ATOM 153 C C . ILE A 1 20 ? 11.638 1.636 1.013 1.00 98.01 20 A 1 ATOM 154 O O . ILE A 1 20 ? 12.809 1.673 1.383 1.00 97.69 20 A 1 ATOM 155 C CB . ILE A 1 20 ? 9.947 0.243 2.312 1.00 97.65 20 A 1 ATOM 156 C CG1 . ILE A 1 20 ? 9.035 0.249 3.562 1.00 95.53 20 A 1 ATOM 157 C CG2 . ILE A 1 20 ? 11.065 -0.796 2.505 1.00 94.02 20 A 1 ATOM 158 C CD1 . ILE A 1 20 ? 8.131 -0.983 3.667 1.00 85.97 20 A 1 ATOM 159 N N . GLU A 1 21 ? 11.294 1.612 -0.273 1.00 97.59 21 A 1 ATOM 160 C CA . GLU A 1 21 ? 12.269 1.646 -1.364 1.00 97.47 21 A 1 ATOM 161 C C . GLU A 1 21 ? 13.058 2.961 -1.372 1.00 97.37 21 A 1 ATOM 162 O O . GLU A 1 21 ? 14.282 2.937 -1.477 1.00 96.12 21 A 1 ATOM 163 C CB . GLU A 1 21 ? 11.536 1.400 -2.688 1.00 96.61 21 A 1 ATOM 164 C CG . GLU A 1 21 ? 12.488 1.189 -3.866 1.00 88.68 21 A 1 ATOM 165 C CD . GLU A 1 21 ? 11.768 0.788 -5.166 1.00 83.07 21 A 1 ATOM 166 O OE1 . GLU A 1 21 ? 12.456 0.691 -6.205 1.00 74.68 21 A 1 ATOM 167 O OE2 . GLU A 1 21 ? 10.538 0.547 -5.134 1.00 74.91 21 A 1 ATOM 168 N N . GLU A 1 22 ? 12.395 4.099 -1.158 1.00 97.29 22 A 1 ATOM 169 C CA . GLU A 1 22 ? 13.049 5.408 -1.046 1.00 97.04 22 A 1 ATOM 170 C C . GLU A 1 22 ? 13.953 5.498 0.195 1.00 97.01 22 A 1 ATOM 171 O O . GLU A 1 22 ? 15.026 6.094 0.138 1.00 95.35 22 A 1 ATOM 172 C CB . GLU A 1 22 ? 11.968 6.503 -1.034 1.00 96.40 22 A 1 ATOM 173 C CG . GLU A 1 22 ? 12.549 7.911 -1.189 1.00 89.87 22 A 1 ATOM 174 C CD . GLU A 1 22 ? 11.479 9.016 -1.230 1.00 83.80 22 A 1 ATOM 175 O OE1 . GLU A 1 22 ? 11.822 10.176 -0.900 1.00 76.23 22 A 1 ATOM 176 O OE2 . GLU A 1 22 ? 10.320 8.729 -1.599 1.00 76.64 22 A 1 ATOM 177 N N . ALA A 1 23 ? 13.569 4.862 1.310 1.00 97.64 23 A 1 ATOM 178 C CA . ALA A 1 23 ? 14.371 4.847 2.534 1.00 97.68 23 A 1 ATOM 179 C C . ALA A 1 23 ? 15.580 3.892 2.465 1.00 97.58 23 A 1 ATOM 180 O O . ALA A 1 23 ? 16.548 4.086 3.201 1.00 96.40 23 A 1 ATOM 181 C CB . ALA A 1 23 ? 13.456 4.482 3.708 1.00 97.45 23 A 1 ATOM 182 N N . LEU A 1 24 ? 15.511 2.842 1.636 1.00 97.65 24 A 1 ATOM 183 C CA . LEU A 1 24 ? 16.576 1.850 1.450 1.00 97.40 24 A 1 ATOM 184 C C . LEU A 1 24 ? 17.480 2.155 0.249 1.00 97.04 24 A 1 ATOM 185 O O . LEU A 1 24 ? 18.523 1.511 0.113 1.00 95.60 24 A 1 ATOM 186 C CB . LEU A 1 24 ? 15.946 0.452 1.315 1.00 96.74 24 A 1 ATOM 187 C CG . LEU A 1 24 ? 15.286 -0.094 2.593 1.00 93.19 24 A 1 ATOM 188 C CD1 . LEU A 1 24 ? 14.586 -1.415 2.276 1.00 86.37 24 A 1 ATOM 189 C CD2 . LEU A 1 24 ? 16.307 -0.365 3.697 1.00 85.24 24 A 1 ATOM 190 N N . GLY A 1 25 ? 17.063 3.071 -0.629 1.00 93.25 25 A 1 ATOM 191 C CA . GLY A 1 25 ? 17.802 3.504 -1.811 1.00 90.06 25 A 1 ATOM 192 C C . GLY A 1 25 ? 18.873 4.554 -1.531 1.00 84.76 25 A 1 ATOM 193 O O . GLY A 1 25 ? 18.769 5.260 -0.510 1.00 76.81 25 A 1 ATOM 194 O OXT . GLY A 1 25 ? 19.807 4.665 -2.375 1.00 84.41 25 A 1 #