# 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_spkb21865 # _entry.id spkb21865 # 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" "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 SER 2 1 n LEU 3 1 n ARG 4 1 n SER 5 1 n ASN 6 1 n LYS 7 1 n LEU 8 1 n LEU 9 1 n VAL 10 1 n ALA 11 1 n ALA 12 1 n VAL 13 1 n ILE 14 1 n PHE 15 1 n THR 16 1 n VAL 17 1 n VAL 18 1 n THR 19 1 n PHE 20 1 n GLY 21 1 n LEU 22 1 n LEU 23 1 n LEU 24 1 n THR 25 1 n SER 26 1 n SER 27 1 n ILE 28 # _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 @ 2025-07-06 20:14:45)" _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 91.32 _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 73.02 1 1 A SER 2 2 78.21 1 2 A LEU 3 2 83.37 1 3 A ARG 4 2 80.61 1 4 A SER 5 2 91.02 1 5 A ASN 6 2 90.34 1 6 A LYS 7 2 90.12 1 7 A LEU 8 2 92.55 1 8 A LEU 9 2 93.82 1 9 A VAL 10 2 95.99 1 10 A ALA 11 2 97.79 1 11 A ALA 12 2 98.10 1 12 A VAL 13 2 96.95 1 13 A ILE 14 2 95.90 1 14 A PHE 15 2 95.32 1 15 A THR 16 2 96.46 1 16 A VAL 17 2 97.59 1 17 A VAL 18 2 97.64 1 18 A THR 19 2 96.33 1 19 A PHE 20 2 92.58 1 20 A GLY 21 2 97.10 1 21 A LEU 22 2 94.69 1 22 A LEU 23 2 94.04 1 23 A LEU 24 2 92.86 1 24 A THR 25 2 92.66 1 25 A SER 26 2 91.92 1 26 A SER 27 2 89.16 1 27 A ILE 28 2 82.60 1 28 # _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 SER . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n THR . 25 A 25 A 26 1 n SER . 26 A 26 A 27 1 n SER . 27 A 27 A 28 1 n ILE . 28 A 28 # _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 ? -16.567 -1.033 14.598 1.00 78.88 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.969 -0.829 13.257 1.00 82.47 1 A 1 ATOM 3 C C . MET A 1 1 ? -16.350 -2.006 12.374 1.00 81.84 1 A 1 ATOM 4 O O . MET A 1 1 ? -16.246 -3.143 12.825 1.00 73.33 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.440 -0.699 13.336 1.00 74.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.012 0.720 13.727 1.00 70.14 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.225 0.832 14.019 1.00 64.87 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.986 2.623 13.957 1.00 58.08 1 A 1 ATOM 9 N N . SER A 1 2 ? -16.842 -1.753 11.162 1.00 77.93 2 A 1 ATOM 10 C CA . SER A 1 2 ? -17.267 -2.812 10.239 1.00 84.07 2 A 1 ATOM 11 C C . SER A 1 2 ? -16.046 -3.563 9.685 1.00 85.77 2 A 1 ATOM 12 O O . SER A 1 2 ? -15.016 -2.951 9.407 1.00 79.35 2 A 1 ATOM 13 C CB . SER A 1 2 ? -18.096 -2.203 9.108 1.00 76.30 2 A 1 ATOM 14 O OG . SER A 1 2 ? -18.455 -3.187 8.158 1.00 65.85 2 A 1 ATOM 15 N N . LEU A 1 3 ? -16.176 -4.879 9.461 1.00 89.25 3 A 1 ATOM 16 C CA . LEU A 1 3 ? -15.140 -5.726 8.845 1.00 90.08 3 A 1 ATOM 17 C C . LEU A 1 3 ? -14.644 -5.172 7.498 1.00 91.52 3 A 1 ATOM 18 O O . LEU A 1 3 ? -13.475 -5.337 7.151 1.00 89.15 3 A 1 ATOM 19 C CB . LEU A 1 3 ? -15.725 -7.139 8.660 1.00 87.28 3 A 1 ATOM 20 C CG . LEU A 1 3 ? -15.030 -8.200 9.531 1.00 75.36 3 A 1 ATOM 21 C CD1 . LEU A 1 3 ? -16.065 -9.000 10.328 1.00 73.08 3 A 1 ATOM 22 C CD2 . LEU A 1 3 ? -14.243 -9.171 8.660 1.00 71.22 3 A 1 ATOM 23 N N . ARG A 1 4 ? -15.526 -4.480 6.751 1.00 93.47 4 A 1 ATOM 24 C CA . ARG A 1 4 ? -15.165 -3.816 5.489 1.00 93.99 4 A 1 ATOM 25 C C . ARG A 1 4 ? -14.186 -2.660 5.702 1.00 94.61 4 A 1 ATOM 26 O O . ARG A 1 4 ? -13.232 -2.534 4.935 1.00 92.80 4 A 1 ATOM 27 C CB . ARG A 1 4 ? -16.424 -3.315 4.765 1.00 91.57 4 A 1 ATOM 28 C CG . ARG A 1 4 ? -17.294 -4.463 4.235 1.00 80.39 4 A 1 ATOM 29 C CD . ARG A 1 4 ? -18.459 -3.900 3.414 1.00 77.95 4 A 1 ATOM 30 N NE . ARG A 1 4 ? -19.328 -4.978 2.896 1.00 70.31 4 A 1 ATOM 31 C CZ . ARG A 1 4 ? -20.412 -4.804 2.151 1.00 67.98 4 A 1 ATOM 32 N NH1 . ARG A 1 4 ? -20.817 -3.613 1.787 1.00 63.81 4 A 1 ATOM 33 N NH2 . ARG A 1 4 ? -21.114 -5.828 1.756 1.00 59.82 4 A 1 ATOM 34 N N . SER A 1 5 ? -14.370 -1.858 6.723 1.00 94.33 5 A 1 ATOM 35 C CA . SER A 1 5 ? -13.492 -0.730 7.048 1.00 94.62 5 A 1 ATOM 36 C C . SER A 1 5 ? -12.079 -1.202 7.413 1.00 95.26 5 A 1 ATOM 37 O O . SER A 1 5 ? -11.101 -0.613 6.967 1.00 93.19 5 A 1 ATOM 38 C CB . SER A 1 5 ? -14.077 0.096 8.198 1.00 91.22 5 A 1 ATOM 39 O OG . SER A 1 5 ? -15.406 0.498 7.896 1.00 77.48 5 A 1 ATOM 40 N N . ASN A 1 6 ? -11.964 -2.315 8.140 1.00 94.94 6 A 1 ATOM 41 C CA . ASN A 1 6 ? -10.663 -2.890 8.488 1.00 95.49 6 A 1 ATOM 42 C C . ASN A 1 6 ? -9.922 -3.417 7.253 1.00 96.41 6 A 1 ATOM 43 O O . ASN A 1 6 ? -8.714 -3.221 7.136 1.00 95.65 6 A 1 ATOM 44 C CB . ASN A 1 6 ? -10.860 -4.001 9.529 1.00 93.57 6 A 1 ATOM 45 C CG . ASN A 1 6 ? -11.269 -3.468 10.893 1.00 87.11 6 A 1 ATOM 46 O OD1 . ASN A 1 6 ? -11.302 -2.285 11.164 1.00 80.13 6 A 1 ATOM 47 N ND2 . ASN A 1 6 ? -11.587 -4.359 11.813 1.00 79.42 6 A 1 ATOM 48 N N . LYS A 1 7 ? -10.630 -4.036 6.296 1.00 96.12 7 A 1 ATOM 49 C CA . LYS A 1 7 ? -10.021 -4.501 5.043 1.00 96.72 7 A 1 ATOM 50 C C . LYS A 1 7 ? -9.479 -3.342 4.206 1.00 97.02 7 A 1 ATOM 51 O O . LYS A 1 7 ? -8.371 -3.441 3.684 1.00 96.44 7 A 1 ATOM 52 C CB . LYS A 1 7 ? -11.023 -5.319 4.223 1.00 96.22 7 A 1 ATOM 53 C CG . LYS A 1 7 ? -11.298 -6.688 4.854 1.00 92.00 7 A 1 ATOM 54 C CD . LYS A 1 7 ? -12.243 -7.502 3.968 1.00 85.88 7 A 1 ATOM 55 C CE . LYS A 1 7 ? -12.469 -8.886 4.574 1.00 79.48 7 A 1 ATOM 56 N NZ . LYS A 1 7 ? -13.210 -9.785 3.648 1.00 71.19 7 A 1 ATOM 57 N N . LEU A 1 8 ? -10.225 -2.241 4.108 1.00 96.72 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -9.783 -1.042 3.395 1.00 96.92 8 A 1 ATOM 59 C C . LEU A 1 8 ? -8.569 -0.402 4.076 1.00 97.37 8 A 1 ATOM 60 O O . LEU A 1 8 ? -7.622 -0.018 3.391 1.00 97.11 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -10.936 -0.032 3.304 1.00 96.41 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -12.075 -0.460 2.364 1.00 86.70 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -13.236 0.518 2.494 1.00 84.44 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -11.628 -0.494 0.901 1.00 84.75 8 A 1 ATOM 65 N N . LEU A 1 9 ? -8.562 -0.339 5.404 1.00 96.42 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -7.428 0.182 6.166 1.00 96.54 9 A 1 ATOM 67 C C . LEU A 1 9 ? -6.170 -0.663 5.938 1.00 97.21 9 A 1 ATOM 68 O O . LEU A 1 9 ? -5.109 -0.113 5.648 1.00 97.27 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -7.815 0.234 7.651 1.00 96.17 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -6.725 0.867 8.537 1.00 91.50 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -6.527 2.349 8.229 1.00 87.70 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -7.120 0.719 10.008 1.00 87.76 9 A 1 ATOM 73 N N . VAL A 1 10 ? -6.281 -1.990 6.012 1.00 96.80 10 A 1 ATOM 74 C CA . VAL A 1 10 ? -5.157 -2.904 5.755 1.00 96.94 10 A 1 ATOM 75 C C . VAL A 1 10 ? -4.650 -2.755 4.318 1.00 97.44 10 A 1 ATOM 76 O O . VAL A 1 10 ? -3.441 -2.660 4.109 1.00 97.47 10 A 1 ATOM 77 C CB . VAL A 1 10 ? -5.559 -4.358 6.063 1.00 96.24 10 A 1 ATOM 78 C CG1 . VAL A 1 10 ? -4.505 -5.371 5.607 1.00 93.50 10 A 1 ATOM 79 C CG2 . VAL A 1 10 ? -5.745 -4.551 7.571 1.00 93.55 10 A 1 ATOM 80 N N . ALA A 1 11 ? -5.546 -2.665 3.333 1.00 97.82 11 A 1 ATOM 81 C CA . ALA A 1 11 ? -5.159 -2.456 1.938 1.00 97.87 11 A 1 ATOM 82 C C . ALA A 1 11 ? -4.420 -1.122 1.736 1.00 98.13 11 A 1 ATOM 83 O O . ALA A 1 11 ? -3.405 -1.090 1.042 1.00 97.79 11 A 1 ATOM 84 C CB . ALA A 1 11 ? -6.416 -2.540 1.061 1.00 97.35 11 A 1 ATOM 85 N N . ALA A 1 12 ? -4.874 -0.041 2.378 1.00 98.22 12 A 1 ATOM 86 C CA . ALA A 1 12 ? -4.211 1.260 2.320 1.00 98.22 12 A 1 ATOM 87 C C . ALA A 1 12 ? -2.808 1.222 2.956 1.00 98.39 12 A 1 ATOM 88 O O . ALA A 1 12 ? -1.865 1.772 2.390 1.00 97.95 12 A 1 ATOM 89 C CB . ALA A 1 12 ? -5.107 2.300 3.006 1.00 97.73 12 A 1 ATOM 90 N N . VAL A 1 13 ? -2.652 0.536 4.091 1.00 98.02 13 A 1 ATOM 91 C CA . VAL A 1 13 ? -1.347 0.362 4.745 1.00 97.98 13 A 1 ATOM 92 C C . VAL A 1 13 ? -0.394 -0.435 3.853 1.00 98.25 13 A 1 ATOM 93 O O . VAL A 1 13 ? 0.735 0.004 3.633 1.00 97.97 13 A 1 ATOM 94 C CB . VAL A 1 13 ? -1.506 -0.298 6.128 1.00 97.45 13 A 1 ATOM 95 C CG1 . VAL A 1 13 ? -0.157 -0.679 6.753 1.00 94.44 13 A 1 ATOM 96 C CG2 . VAL A 1 13 ? -2.199 0.659 7.104 1.00 94.52 13 A 1 ATOM 97 N N . ILE A 1 14 ? -0.838 -1.556 3.293 1.00 97.89 14 A 1 ATOM 98 C CA . ILE A 1 14 ? -0.022 -2.372 2.381 1.00 97.70 14 A 1 ATOM 99 C C . ILE A 1 14 ? 0.401 -1.548 1.163 1.00 97.80 14 A 1 ATOM 100 O O . ILE A 1 14 ? 1.583 -1.526 0.820 1.00 97.45 14 A 1 ATOM 101 C CB . ILE A 1 14 ? -0.780 -3.651 1.967 1.00 97.35 14 A 1 ATOM 102 C CG1 . ILE A 1 14 ? -0.924 -4.601 3.179 1.00 94.72 14 A 1 ATOM 103 C CG2 . ILE A 1 14 ? -0.050 -4.387 0.822 1.00 93.91 14 A 1 ATOM 104 C CD1 . ILE A 1 14 ? -1.917 -5.745 2.943 1.00 90.35 14 A 1 ATOM 105 N N . PHE A 1 15 ? -0.544 -0.831 0.538 1.00 98.39 15 A 1 ATOM 106 C CA . PHE A 1 15 ? -0.249 0.023 -0.611 1.00 98.18 15 A 1 ATOM 107 C C . PHE A 1 15 ? 0.803 1.086 -0.272 1.00 98.30 15 A 1 ATOM 108 O O . PHE A 1 15 ? 1.754 1.276 -1.030 1.00 97.94 15 A 1 ATOM 109 C CB . PHE A 1 15 ? -1.547 0.673 -1.092 1.00 97.65 15 A 1 ATOM 110 C CG . PHE A 1 15 ? -1.335 1.561 -2.294 1.00 95.31 15 A 1 ATOM 111 C CD1 . PHE A 1 15 ? -1.185 2.949 -2.140 1.00 93.25 15 A 1 ATOM 112 C CD2 . PHE A 1 15 ? -1.237 0.986 -3.574 1.00 93.50 15 A 1 ATOM 113 C CE1 . PHE A 1 15 ? -0.939 3.762 -3.258 1.00 91.15 15 A 1 ATOM 114 C CE2 . PHE A 1 15 ? -0.991 1.799 -4.691 1.00 92.05 15 A 1 ATOM 115 C CZ . PHE A 1 15 ? -0.837 3.185 -4.534 1.00 92.76 15 A 1 ATOM 116 N N . THR A 1 16 ? 0.675 1.728 0.887 1.00 98.27 16 A 1 ATOM 117 C CA . THR A 1 16 ? 1.634 2.734 1.354 1.00 98.17 16 A 1 ATOM 118 C C . THR A 1 16 ? 3.021 2.121 1.551 1.00 98.27 16 A 1 ATOM 119 O O . THR A 1 16 ? 3.996 2.640 1.013 1.00 97.60 16 A 1 ATOM 120 C CB . THR A 1 16 ? 1.134 3.379 2.652 1.00 97.64 16 A 1 ATOM 121 O OG1 . THR A 1 16 ? -0.129 3.972 2.443 1.00 93.10 16 A 1 ATOM 122 C CG2 . THR A 1 16 ? 2.059 4.487 3.150 1.00 92.18 16 A 1 ATOM 123 N N . VAL A 1 17 ? 3.123 0.992 2.258 1.00 98.46 17 A 1 ATOM 124 C CA . VAL A 1 17 ? 4.403 0.312 2.511 1.00 98.33 17 A 1 ATOM 125 C C . VAL A 1 17 ? 5.073 -0.118 1.205 1.00 98.31 17 A 1 ATOM 126 O O . VAL A 1 17 ? 6.268 0.119 1.026 1.00 97.70 17 A 1 ATOM 127 C CB . VAL A 1 17 ? 4.195 -0.895 3.449 1.00 97.97 17 A 1 ATOM 128 C CG1 . VAL A 1 17 ? 5.455 -1.756 3.593 1.00 96.18 17 A 1 ATOM 129 C CG2 . VAL A 1 17 ? 3.812 -0.421 4.855 1.00 96.17 17 A 1 ATOM 130 N N . VAL A 1 18 ? 4.320 -0.703 0.274 1.00 98.47 18 A 1 ATOM 131 C CA . VAL A 1 18 ? 4.850 -1.126 -1.031 1.00 98.29 18 A 1 ATOM 132 C C . VAL A 1 18 ? 5.327 0.077 -1.842 1.00 98.26 18 A 1 ATOM 133 O O . VAL A 1 18 ? 6.431 0.049 -2.381 1.00 97.84 18 A 1 ATOM 134 C CB . VAL A 1 18 ? 3.797 -1.941 -1.804 1.00 97.95 18 A 1 ATOM 135 C CG1 . VAL A 1 18 ? 4.220 -2.233 -3.247 1.00 96.36 18 A 1 ATOM 136 C CG2 . VAL A 1 18 ? 3.564 -3.291 -1.118 1.00 96.28 18 A 1 ATOM 137 N N . THR A 1 19 ? 4.551 1.159 -1.882 1.00 98.07 19 A 1 ATOM 138 C CA . THR A 1 19 ? 4.914 2.375 -2.619 1.00 97.90 19 A 1 ATOM 139 C C . THR A 1 19 ? 6.190 3.000 -2.058 1.00 97.82 19 A 1 ATOM 140 O O . THR A 1 19 ? 7.108 3.293 -2.819 1.00 97.27 19 A 1 ATOM 141 C CB . THR A 1 19 ? 3.767 3.393 -2.594 1.00 97.33 19 A 1 ATOM 142 O OG1 . THR A 1 19 ? 2.604 2.821 -3.145 1.00 93.39 19 A 1 ATOM 143 C CG2 . THR A 1 19 ? 4.076 4.635 -3.429 1.00 92.56 19 A 1 ATOM 144 N N . PHE A 1 20 ? 6.296 3.160 -0.729 1.00 97.71 20 A 1 ATOM 145 C CA . PHE A 1 20 ? 7.509 3.680 -0.103 1.00 97.32 20 A 1 ATOM 146 C C . PHE A 1 20 ? 8.705 2.746 -0.296 1.00 97.56 20 A 1 ATOM 147 O O . PHE A 1 20 ? 9.804 3.229 -0.565 1.00 97.02 20 A 1 ATOM 148 C CB . PHE A 1 20 ? 7.265 3.939 1.385 1.00 96.52 20 A 1 ATOM 149 C CG . PHE A 1 20 ? 6.628 5.283 1.662 1.00 92.88 20 A 1 ATOM 150 C CD1 . PHE A 1 20 ? 7.361 6.459 1.428 1.00 89.07 20 A 1 ATOM 151 C CD2 . PHE A 1 20 ? 5.324 5.374 2.164 1.00 89.43 20 A 1 ATOM 152 C CE1 . PHE A 1 20 ? 6.786 7.713 1.678 1.00 87.12 20 A 1 ATOM 153 C CE2 . PHE A 1 20 ? 4.745 6.630 2.416 1.00 86.87 20 A 1 ATOM 154 C CZ . PHE A 1 20 ? 5.475 7.800 2.170 1.00 86.84 20 A 1 ATOM 155 N N . GLY A 1 21 ? 8.506 1.430 -0.218 1.00 97.50 21 A 1 ATOM 156 C CA . GLY A 1 21 ? 9.560 0.450 -0.477 1.00 97.11 21 A 1 ATOM 157 C C . GLY A 1 21 ? 10.106 0.540 -1.904 1.00 97.26 21 A 1 ATOM 158 O O . GLY A 1 21 ? 11.321 0.559 -2.096 1.00 96.52 21 A 1 ATOM 159 N N . LEU A 1 22 ? 9.229 0.670 -2.901 1.00 97.94 22 A 1 ATOM 160 C CA . LEU A 1 22 ? 9.627 0.833 -4.300 1.00 97.66 22 A 1 ATOM 161 C C . LEU A 1 22 ? 10.359 2.158 -4.533 1.00 97.73 22 A 1 ATOM 162 O O . LEU A 1 22 ? 11.406 2.166 -5.178 1.00 97.22 22 A 1 ATOM 163 C CB . LEU A 1 22 ? 8.390 0.742 -5.205 1.00 97.24 22 A 1 ATOM 164 C CG . LEU A 1 22 ? 7.783 -0.668 -5.311 1.00 92.07 22 A 1 ATOM 165 C CD1 . LEU A 1 22 ? 6.463 -0.597 -6.078 1.00 88.66 22 A 1 ATOM 166 C CD2 . LEU A 1 22 ? 8.711 -1.644 -6.032 1.00 89.04 22 A 1 ATOM 167 N N . LEU A 1 23 ? 9.859 3.265 -3.975 1.00 97.61 23 A 1 ATOM 168 C CA . LEU A 1 23 ? 10.513 4.572 -4.081 1.00 97.21 23 A 1 ATOM 169 C C . LEU A 1 23 ? 11.902 4.562 -3.437 1.00 97.25 23 A 1 ATOM 170 O O . LEU A 1 23 ? 12.854 5.065 -4.030 1.00 96.68 23 A 1 ATOM 171 C CB . LEU A 1 23 ? 9.638 5.648 -3.424 1.00 96.68 23 A 1 ATOM 172 C CG . LEU A 1 23 ? 8.380 6.023 -4.226 1.00 91.95 23 A 1 ATOM 173 C CD1 . LEU A 1 23 ? 7.502 6.947 -3.387 1.00 87.51 23 A 1 ATOM 174 C CD2 . LEU A 1 23 ? 8.724 6.738 -5.531 1.00 87.46 23 A 1 ATOM 175 N N . LEU A 1 24 ? 12.030 3.953 -2.250 1.00 97.07 24 A 1 ATOM 176 C CA . LEU A 1 24 ? 13.310 3.826 -1.563 1.00 96.65 24 A 1 ATOM 177 C C . LEU A 1 24 ? 14.290 2.985 -2.381 1.00 96.67 24 A 1 ATOM 178 O O . LEU A 1 24 ? 15.424 3.403 -2.590 1.00 96.06 24 A 1 ATOM 179 C CB . LEU A 1 24 ? 13.063 3.230 -0.171 1.00 95.92 24 A 1 ATOM 180 C CG . LEU A 1 24 ? 14.323 3.187 0.710 1.00 90.88 24 A 1 ATOM 181 C CD1 . LEU A 1 24 ? 14.798 4.593 1.092 1.00 85.53 24 A 1 ATOM 182 C CD2 . LEU A 1 24 ? 14.018 2.418 1.996 1.00 84.12 24 A 1 ATOM 183 N N . THR A 1 25 ? 13.844 1.836 -2.902 1.00 96.83 25 A 1 ATOM 184 C CA . THR A 1 25 ? 14.680 0.958 -3.739 1.00 96.19 25 A 1 ATOM 185 C C . THR A 1 25 ? 15.107 1.647 -5.037 1.00 95.50 25 A 1 ATOM 186 O O . THR A 1 25 ? 16.240 1.478 -5.468 1.00 92.93 25 A 1 ATOM 187 C CB . THR A 1 25 ? 13.936 -0.342 -4.075 1.00 94.38 25 A 1 ATOM 188 O OG1 . THR A 1 25 ? 13.483 -0.975 -2.898 1.00 86.97 25 A 1 ATOM 189 C CG2 . THR A 1 25 ? 14.829 -1.354 -4.784 1.00 85.84 25 A 1 ATOM 190 N N . SER A 1 26 ? 14.239 2.460 -5.639 1.00 96.46 26 A 1 ATOM 191 C CA . SER A 1 26 ? 14.562 3.221 -6.850 1.00 95.42 26 A 1 ATOM 192 C C . SER A 1 26 ? 15.517 4.396 -6.603 1.00 94.66 26 A 1 ATOM 193 O O . SER A 1 26 ? 16.049 4.946 -7.567 1.00 90.89 26 A 1 ATOM 194 C CB . SER A 1 26 ? 13.272 3.744 -7.483 1.00 93.33 26 A 1 ATOM 195 O OG . SER A 1 26 ? 13.551 4.348 -8.732 1.00 80.77 26 A 1 ATOM 196 N N . SER A 1 27 ? 15.680 4.830 -5.352 1.00 94.39 27 A 1 ATOM 197 C CA . SER A 1 27 ? 16.520 5.977 -4.980 1.00 92.97 27 A 1 ATOM 198 C C . SER A 1 27 ? 17.929 5.567 -4.531 1.00 90.40 27 A 1 ATOM 199 O O . SER A 1 27 ? 18.764 6.440 -4.303 1.00 85.20 27 A 1 ATOM 200 C CB . SER A 1 27 ? 15.844 6.804 -3.882 1.00 90.98 27 A 1 ATOM 201 O OG . SER A 1 27 ? 14.550 7.232 -4.278 1.00 81.03 27 A 1 ATOM 202 N N . ILE A 1 28 ? 18.173 4.265 -4.389 1.00 92.21 28 A 1 ATOM 203 C CA . ILE A 1 28 ? 19.470 3.688 -3.994 1.00 90.59 28 A 1 ATOM 204 C C . ILE A 1 28 ? 20.213 3.193 -5.235 1.00 85.52 28 A 1 ATOM 205 O O . ILE A 1 28 ? 21.401 3.526 -5.380 1.00 81.18 28 A 1 ATOM 206 C CB . ILE A 1 28 ? 19.272 2.570 -2.950 1.00 85.76 28 A 1 ATOM 207 C CG1 . ILE A 1 28 ? 18.618 3.103 -1.670 1.00 80.09 28 A 1 ATOM 208 C CG2 . ILE A 1 28 ? 20.620 1.905 -2.625 1.00 77.19 28 A 1 ATOM 209 C CD1 . ILE A 1 28 ? 18.122 1.988 -0.722 1.00 75.38 28 A 1 ATOM 210 O OXT . ILE A 1 28 ? 19.587 2.471 -6.043 1.00 75.49 28 A 1 #