# 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_spkb09054 # _entry.id spkb09054 # 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" "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" "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 GLN 2 1 n ARG 3 1 n PRO 4 1 n PHE 5 1 n LEU 6 1 n LEU 7 1 n ALA 8 1 n TYR 9 1 n LEU 10 1 n VAL 11 1 n LEU 12 1 n SER 13 1 n LEU 14 1 n LEU 15 1 n PHE 16 1 n ASN 17 1 n SER 18 1 n ALA 19 1 n LEU 20 1 n GLY 21 # _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 00:38:36)" _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 92.89 _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 81.84 1 1 A GLN 2 2 81.99 1 2 A ARG 3 2 82.77 1 3 A PRO 4 2 93.62 1 4 A PHE 5 2 92.54 1 5 A LEU 6 2 94.88 1 6 A LEU 7 2 95.38 1 7 A ALA 8 2 97.58 1 8 A TYR 9 2 95.47 1 9 A LEU 10 2 95.13 1 10 A VAL 11 2 97.33 1 11 A LEU 12 2 95.62 1 12 A SER 13 2 96.85 1 13 A LEU 14 2 96.16 1 14 A LEU 15 2 96.72 1 15 A PHE 16 2 95.30 1 16 A ASN 17 2 95.40 1 17 A SER 18 2 96.60 1 18 A ALA 19 2 97.50 1 19 A LEU 20 2 93.65 1 20 A GLY 21 2 84.15 1 21 # _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 GLN . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n TYR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n GLY . 21 A 21 # _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 ? -7.731 16.387 -1.755 1.00 89.49 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.985 14.974 -2.102 1.00 89.37 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.111 14.101 -1.217 1.00 89.41 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.901 14.067 -1.408 1.00 85.06 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.676 14.704 -3.577 1.00 84.42 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.696 15.366 -4.500 1.00 78.87 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.302 15.092 -6.250 1.00 73.81 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.646 15.974 -7.023 1.00 64.32 1 A 1 ATOM 9 N N . GLN A 1 2 ? -7.691 13.460 -0.223 1.00 91.43 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -6.962 12.550 0.651 1.00 91.40 2 A 1 ATOM 11 C C . GLN A 1 2 ? -6.774 11.211 -0.069 1.00 90.85 2 A 1 ATOM 12 O O . GLN A 1 2 ? -7.715 10.680 -0.657 1.00 85.77 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -7.715 12.376 1.963 1.00 87.57 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -7.678 13.647 2.820 1.00 78.48 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -8.403 13.464 4.141 1.00 75.54 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -9.152 12.527 4.338 1.00 70.51 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -8.220 14.351 5.083 1.00 66.37 2 A 1 ATOM 18 N N . ARG A 1 3 ? -5.574 10.672 -0.038 1.00 92.18 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -5.252 9.355 -0.596 1.00 93.81 3 A 1 ATOM 20 C C . ARG A 1 3 ? -4.610 8.445 0.463 1.00 94.88 3 A 1 ATOM 21 O O . ARG A 1 3 ? -3.558 7.872 0.205 1.00 92.81 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -4.372 9.518 -1.844 1.00 90.67 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -5.151 10.084 -3.031 1.00 83.87 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -4.276 10.041 -4.279 1.00 80.54 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -5.075 10.181 -5.501 1.00 75.30 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -4.650 9.917 -6.729 1.00 72.21 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -3.407 9.574 -6.971 1.00 68.10 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -5.469 9.986 -7.732 1.00 66.07 3 A 1 ATOM 29 N N . PRO A 1 4 ? -5.228 8.303 1.651 1.00 94.50 4 A 1 ATOM 30 C CA . PRO A 1 4 ? -4.691 7.432 2.695 1.00 95.39 4 A 1 ATOM 31 C C . PRO A 1 4 ? -4.739 5.962 2.281 1.00 96.46 4 A 1 ATOM 32 O O . PRO A 1 4 ? -3.864 5.180 2.644 1.00 95.02 4 A 1 ATOM 33 C CB . PRO A 1 4 ? -5.563 7.721 3.921 1.00 92.42 4 A 1 ATOM 34 C CG . PRO A 1 4 ? -6.890 8.170 3.337 1.00 89.73 4 A 1 ATOM 35 C CD . PRO A 1 4 ? -6.491 8.893 2.064 1.00 91.85 4 A 1 ATOM 36 N N . PHE A 1 5 ? -5.737 5.596 1.465 1.00 96.03 5 A 1 ATOM 37 C CA . PHE A 1 5 ? -5.918 4.226 1.002 1.00 96.57 5 A 1 ATOM 38 C C . PHE A 1 5 ? -4.829 3.802 0.017 1.00 97.26 5 A 1 ATOM 39 O O . PHE A 1 5 ? -4.382 2.660 0.049 1.00 96.85 5 A 1 ATOM 40 C CB . PHE A 1 5 ? -7.309 4.092 0.373 1.00 95.89 5 A 1 ATOM 41 C CG . PHE A 1 5 ? -7.945 2.763 0.693 1.00 93.12 5 A 1 ATOM 42 C CD1 . PHE A 1 5 ? -7.698 1.643 -0.105 1.00 89.44 5 A 1 ATOM 43 C CD2 . PHE A 1 5 ? -8.763 2.646 1.821 1.00 89.63 5 A 1 ATOM 44 C CE1 . PHE A 1 5 ? -8.261 0.401 0.216 1.00 87.60 5 A 1 ATOM 45 C CE2 . PHE A 1 5 ? -9.335 1.407 2.149 1.00 87.74 5 A 1 ATOM 46 C CZ . PHE A 1 5 ? -9.080 0.286 1.344 1.00 87.85 5 A 1 ATOM 47 N N . LEU A 1 6 ? -4.355 4.719 -0.830 1.00 97.05 6 A 1 ATOM 48 C CA . LEU A 1 6 ? -3.278 4.431 -1.780 1.00 97.25 6 A 1 ATOM 49 C C . LEU A 1 6 ? -1.955 4.166 -1.070 1.00 97.58 6 A 1 ATOM 50 O O . LEU A 1 6 ? -1.232 3.256 -1.460 1.00 97.48 6 A 1 ATOM 51 C CB . LEU A 1 6 ? -3.135 5.594 -2.766 1.00 97.07 6 A 1 ATOM 52 C CG . LEU A 1 6 ? -4.058 5.429 -3.976 1.00 93.46 6 A 1 ATOM 53 C CD1 . LEU A 1 6 ? -4.206 6.746 -4.703 1.00 89.61 6 A 1 ATOM 54 C CD2 . LEU A 1 6 ? -3.479 4.411 -4.962 1.00 89.55 6 A 1 ATOM 55 N N . LEU A 1 7 ? -1.662 4.920 -0.013 1.00 97.18 7 A 1 ATOM 56 C CA . LEU A 1 7 ? -0.462 4.694 0.784 1.00 97.34 7 A 1 ATOM 57 C C . LEU A 1 7 ? -0.531 3.337 1.492 1.00 97.61 7 A 1 ATOM 58 O O . LEU A 1 7 ? 0.425 2.565 1.446 1.00 97.69 7 A 1 ATOM 59 C CB . LEU A 1 7 ? -0.313 5.843 1.784 1.00 97.08 7 A 1 ATOM 60 C CG . LEU A 1 7 ? 1.037 5.815 2.507 1.00 93.32 7 A 1 ATOM 61 C CD1 . LEU A 1 7 ? 2.164 6.280 1.589 1.00 91.42 7 A 1 ATOM 62 C CD2 . LEU A 1 7 ? 0.984 6.739 3.723 1.00 91.41 7 A 1 ATOM 63 N N . ALA A 1 8 ? -1.672 3.025 2.113 1.00 97.43 8 A 1 ATOM 64 C CA . ALA A 1 8 ? -1.892 1.742 2.770 1.00 97.64 8 A 1 ATOM 65 C C . ALA A 1 8 ? -1.811 0.579 1.771 1.00 97.88 8 A 1 ATOM 66 O O . ALA A 1 8 ? -1.182 -0.434 2.064 1.00 97.64 8 A 1 ATOM 67 C CB . ALA A 1 8 ? -3.252 1.784 3.475 1.00 97.32 8 A 1 ATOM 68 N N . TYR A 1 9 ? -2.391 0.746 0.580 1.00 97.90 9 A 1 ATOM 69 C CA . TYR A 1 9 ? -2.337 -0.258 -0.481 1.00 97.88 9 A 1 ATOM 70 C C . TYR A 1 9 ? -0.905 -0.513 -0.954 1.00 98.01 9 A 1 ATOM 71 O O . TYR A 1 9 ? -0.518 -1.662 -1.153 1.00 97.81 9 A 1 ATOM 72 C CB . TYR A 1 9 ? -3.214 0.200 -1.643 1.00 97.53 9 A 1 ATOM 73 C CG . TYR A 1 9 ? -3.360 -0.870 -2.695 1.00 96.16 9 A 1 ATOM 74 C CD1 . TYR A 1 9 ? -2.518 -0.882 -3.818 1.00 94.18 9 A 1 ATOM 75 C CD2 . TYR A 1 9 ? -4.322 -1.879 -2.528 1.00 94.05 9 A 1 ATOM 76 C CE1 . TYR A 1 9 ? -2.634 -1.898 -4.770 1.00 92.74 9 A 1 ATOM 77 C CE2 . TYR A 1 9 ? -4.441 -2.900 -3.480 1.00 93.07 9 A 1 ATOM 78 C CZ . TYR A 1 9 ? -3.591 -2.904 -4.595 1.00 93.71 9 A 1 ATOM 79 O OH . TYR A 1 9 ? -3.697 -3.907 -5.525 1.00 92.56 9 A 1 ATOM 80 N N . LEU A 1 10 ? -0.100 0.537 -1.078 1.00 97.49 10 A 1 ATOM 81 C CA . LEU A 1 10 ? 1.295 0.420 -1.495 1.00 97.49 10 A 1 ATOM 82 C C . LEU A 1 10 ? 2.117 -0.350 -0.459 1.00 97.88 10 A 1 ATOM 83 O O . LEU A 1 10 ? 2.853 -1.270 -0.805 1.00 97.91 10 A 1 ATOM 84 C CB . LEU A 1 10 ? 1.833 1.833 -1.751 1.00 97.31 10 A 1 ATOM 85 C CG . LEU A 1 10 ? 2.778 1.908 -2.957 1.00 92.71 10 A 1 ATOM 86 C CD1 . LEU A 1 10 ? 2.860 3.350 -3.450 1.00 89.29 10 A 1 ATOM 87 C CD2 . LEU A 1 10 ? 4.174 1.424 -2.624 1.00 90.97 10 A 1 ATOM 88 N N . VAL A 1 11 ? 1.946 -0.023 0.820 1.00 97.82 11 A 1 ATOM 89 C CA . VAL A 1 11 ? 2.610 -0.721 1.926 1.00 97.91 11 A 1 ATOM 90 C C . VAL A 1 11 ? 2.151 -2.175 2.005 1.00 98.12 11 A 1 ATOM 91 O O . VAL A 1 11 ? 2.984 -3.075 2.105 1.00 97.94 11 A 1 ATOM 92 C CB . VAL A 1 11 ? 2.366 0.016 3.253 1.00 97.56 11 A 1 ATOM 93 C CG1 . VAL A 1 11 ? 2.930 -0.747 4.450 1.00 96.01 11 A 1 ATOM 94 C CG2 . VAL A 1 11 ? 3.027 1.391 3.232 1.00 95.97 11 A 1 ATOM 95 N N . LEU A 1 12 ? 0.854 -2.418 1.917 1.00 97.95 12 A 1 ATOM 96 C CA . LEU A 1 12 ? 0.296 -3.767 1.920 1.00 97.82 12 A 1 ATOM 97 C C . LEU A 1 12 ? 0.792 -4.581 0.727 1.00 98.01 12 A 1 ATOM 98 O O . LEU A 1 12 ? 1.153 -5.742 0.903 1.00 97.87 12 A 1 ATOM 99 C CB . LEU A 1 12 ? -1.234 -3.684 1.912 1.00 97.47 12 A 1 ATOM 100 C CG . LEU A 1 12 ? -1.825 -3.427 3.299 1.00 93.14 12 A 1 ATOM 101 C CD1 . LEU A 1 12 ? -3.250 -2.907 3.172 1.00 90.65 12 A 1 ATOM 102 C CD2 . LEU A 1 12 ? -1.850 -4.706 4.130 1.00 92.08 12 A 1 ATOM 103 N N . SER A 1 13 ? 0.879 -3.999 -0.451 1.00 97.97 13 A 1 ATOM 104 C CA . SER A 1 13 ? 1.392 -4.670 -1.644 1.00 97.94 13 A 1 ATOM 105 C C . SER A 1 13 ? 2.860 -5.047 -1.486 1.00 98.18 13 A 1 ATOM 106 O O . SER A 1 13 ? 3.239 -6.162 -1.820 1.00 97.82 13 A 1 ATOM 107 C CB . SER A 1 13 ? 1.237 -3.787 -2.873 1.00 97.48 13 A 1 ATOM 108 O OG . SER A 1 13 ? -0.122 -3.527 -3.110 1.00 91.73 13 A 1 ATOM 109 N N . LEU A 1 14 ? 3.679 -4.160 -0.932 1.00 98.19 14 A 1 ATOM 110 C CA . LEU A 1 14 ? 5.082 -4.453 -0.657 1.00 98.15 14 A 1 ATOM 111 C C . LEU A 1 14 ? 5.228 -5.573 0.367 1.00 98.34 14 A 1 ATOM 112 O O . LEU A 1 14 ? 6.010 -6.497 0.157 1.00 98.12 14 A 1 ATOM 113 C CB . LEU A 1 14 ? 5.778 -3.184 -0.159 1.00 97.97 14 A 1 ATOM 114 C CG . LEU A 1 14 ? 6.129 -2.216 -1.291 1.00 95.02 14 A 1 ATOM 115 C CD1 . LEU A 1 14 ? 6.481 -0.857 -0.713 1.00 90.82 14 A 1 ATOM 116 C CD2 . LEU A 1 14 ? 7.318 -2.726 -2.101 1.00 92.71 14 A 1 ATOM 117 N N . LEU A 1 15 ? 4.452 -5.525 1.451 1.00 98.33 15 A 1 ATOM 118 C CA . LEU A 1 15 ? 4.457 -6.563 2.476 1.00 98.22 15 A 1 ATOM 119 C C . LEU A 1 15 ? 3.985 -7.901 1.915 1.00 98.13 15 A 1 ATOM 120 O O . LEU A 1 15 ? 4.603 -8.928 2.197 1.00 97.79 15 A 1 ATOM 121 C CB . LEU A 1 15 ? 3.569 -6.127 3.644 1.00 98.06 15 A 1 ATOM 122 C CG . LEU A 1 15 ? 4.191 -5.032 4.518 1.00 96.60 15 A 1 ATOM 123 C CD1 . LEU A 1 15 ? 3.140 -4.489 5.479 1.00 92.85 15 A 1 ATOM 124 C CD2 . LEU A 1 15 ? 5.364 -5.566 5.338 1.00 93.77 15 A 1 ATOM 125 N N . PHE A 1 16 ? 2.940 -7.899 1.104 1.00 98.38 16 A 1 ATOM 126 C CA . PHE A 1 16 ? 2.398 -9.107 0.498 1.00 98.20 16 A 1 ATOM 127 C C . PHE A 1 16 ? 3.387 -9.739 -0.479 1.00 98.19 16 A 1 ATOM 128 O O . PHE A 1 16 ? 3.623 -10.944 -0.418 1.00 97.73 16 A 1 ATOM 129 C CB . PHE A 1 16 ? 1.077 -8.771 -0.179 1.00 97.86 16 A 1 ATOM 130 C CG . PHE A 1 16 ? 0.233 -9.987 -0.437 1.00 96.39 16 A 1 ATOM 131 C CD1 . PHE A 1 16 ? -0.547 -10.517 0.595 1.00 91.72 16 A 1 ATOM 132 C CD2 . PHE A 1 16 ? 0.222 -10.599 -1.694 1.00 93.03 16 A 1 ATOM 133 C CE1 . PHE A 1 16 ? -1.332 -11.656 0.378 1.00 92.08 16 A 1 ATOM 134 C CE2 . PHE A 1 16 ? -0.558 -11.742 -1.919 1.00 92.27 16 A 1 ATOM 135 C CZ . PHE A 1 16 ? -1.333 -12.268 -0.878 1.00 92.50 16 A 1 ATOM 136 N N . ASN A 1 17 ? 4.027 -8.932 -1.323 1.00 98.10 17 A 1 ATOM 137 C CA . ASN A 1 17 ? 5.064 -9.418 -2.229 1.00 97.83 17 A 1 ATOM 138 C C . ASN A 1 17 ? 6.280 -9.938 -1.466 1.00 97.99 17 A 1 ATOM 139 O O . ASN A 1 17 ? 6.808 -10.989 -1.803 1.00 97.57 17 A 1 ATOM 140 C CB . ASN A 1 17 ? 5.474 -8.298 -3.188 1.00 97.14 17 A 1 ATOM 141 C CG . ASN A 1 17 ? 4.510 -8.189 -4.342 1.00 95.09 17 A 1 ATOM 142 O OD1 . ASN A 1 17 ? 4.513 -8.984 -5.252 1.00 90.12 17 A 1 ATOM 143 N ND2 . ASN A 1 17 ? 3.661 -7.199 -4.340 1.00 89.32 17 A 1 ATOM 144 N N . SER A 1 18 ? 6.697 -9.242 -0.405 1.00 98.29 18 A 1 ATOM 145 C CA . SER A 1 18 ? 7.822 -9.676 0.426 1.00 98.13 18 A 1 ATOM 146 C C . SER A 1 18 ? 7.501 -10.946 1.205 1.00 98.13 18 A 1 ATOM 147 O O . SER A 1 18 ? 8.386 -11.772 1.408 1.00 96.73 18 A 1 ATOM 148 C CB . SER A 1 18 ? 8.221 -8.585 1.417 1.00 97.42 18 A 1 ATOM 149 O OG . SER A 1 18 ? 8.581 -7.404 0.737 1.00 90.89 18 A 1 ATOM 150 N N . ALA A 1 19 ? 6.260 -11.119 1.652 1.00 97.98 19 A 1 ATOM 151 C CA . ALA A 1 19 ? 5.829 -12.311 2.377 1.00 97.75 19 A 1 ATOM 152 C C . ALA A 1 19 ? 5.719 -13.538 1.467 1.00 97.81 19 A 1 ATOM 153 O O . ALA A 1 19 ? 5.975 -14.655 1.918 1.00 96.83 19 A 1 ATOM 154 C CB . ALA A 1 19 ? 4.494 -12.017 3.065 1.00 97.12 19 A 1 ATOM 155 N N . LEU A 1 20 ? 5.357 -13.333 0.197 1.00 97.17 20 A 1 ATOM 156 C CA . LEU A 1 20 ? 5.295 -14.407 -0.798 1.00 96.80 20 A 1 ATOM 157 C C . LEU A 1 20 ? 6.678 -14.796 -1.321 1.00 96.47 20 A 1 ATOM 158 O O . LEU A 1 20 ? 6.851 -15.924 -1.777 1.00 94.95 20 A 1 ATOM 159 C CB . LEU A 1 20 ? 4.347 -13.980 -1.928 1.00 96.00 20 A 1 ATOM 160 C CG . LEU A 1 20 ? 3.028 -14.754 -1.863 1.00 93.34 20 A 1 ATOM 161 C CD1 . LEU A 1 20 ? 1.874 -13.879 -2.325 1.00 88.56 20 A 1 ATOM 162 C CD2 . LEU A 1 20 ? 3.084 -15.982 -2.760 1.00 85.89 20 A 1 ATOM 163 N N . GLY A 1 21 ? 7.656 -13.886 -1.206 1.00 92.57 21 A 1 ATOM 164 C CA . GLY A 1 21 ? 9.036 -14.108 -1.664 1.00 88.28 21 A 1 ATOM 165 C C . GLY A 1 21 ? 9.181 -13.903 -3.165 1.00 82.56 21 A 1 ATOM 166 O O . GLY A 1 21 ? 10.022 -14.596 -3.762 1.00 76.31 21 A 1 ATOM 167 O OXT . GLY A 1 21 ? 8.471 -13.032 -3.731 1.00 81.05 21 A 1 #