# 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_spkb07773 # _entry.id spkb07773 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-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" "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" "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 VAL 2 1 n ASN 3 1 n ASN 4 1 n MET 5 1 n SER 6 1 n LEU 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n TRP 11 1 n SER 12 1 n LEU 13 1 n VAL 14 1 n ILE 15 1 n PHE 16 1 n LEU 17 1 n THR 18 1 n PHE 19 1 n ALA 20 # _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 @ 2025-07-10 10:48:23)" _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 90.85 _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 77.61 1 1 A VAL 2 2 80.18 1 2 A ASN 3 2 82.44 1 3 A ASN 4 2 88.12 1 4 A MET 5 2 88.35 1 5 A SER 6 2 93.31 1 6 A LEU 7 2 93.11 1 7 A LEU 8 2 93.34 1 8 A PHE 9 2 92.16 1 9 A LEU 10 2 93.27 1 10 A TRP 11 2 88.85 1 11 A SER 12 2 95.18 1 12 A LEU 13 2 94.31 1 13 A VAL 14 2 95.77 1 14 A ILE 15 2 96.10 1 15 A PHE 16 2 94.53 1 16 A LEU 17 2 95.91 1 17 A THR 18 2 94.99 1 18 A PHE 19 2 91.63 1 19 A ALA 20 2 87.88 1 20 # _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 VAL . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n TRP . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -4.710 5.974 15.700 1.00 84.45 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.281 5.932 15.320 1.00 85.09 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.097 4.984 14.140 1.00 85.22 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.633 3.878 14.152 1.00 82.55 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.417 5.451 16.499 1.00 80.89 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.443 6.428 17.671 1.00 74.21 1 A 1 ATOM 7 S SD . MET A 1 1 ? -1.467 5.838 19.065 1.00 66.43 1 A 1 ATOM 8 C CE . MET A 1 1 ? -1.771 7.154 20.238 1.00 62.06 1 A 1 ATOM 9 N N . VAL A 1 2 ? -2.354 5.420 13.129 1.00 82.06 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -2.110 4.623 11.924 1.00 84.28 2 A 1 ATOM 11 C C . VAL A 1 2 ? -0.652 4.170 11.888 1.00 86.13 2 A 1 ATOM 12 O O . VAL A 1 2 ? 0.254 4.993 12.032 1.00 84.63 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -2.436 5.428 10.665 1.00 80.35 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -2.245 4.565 9.422 1.00 71.57 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -3.859 5.960 10.730 1.00 72.26 2 A 1 ATOM 16 N N . ASN A 1 3 ? -0.442 2.870 11.684 1.00 84.67 3 A 1 ATOM 17 C CA . ASN A 1 3 ? 0.905 2.314 11.608 1.00 88.25 3 A 1 ATOM 18 C C . ASN A 1 3 ? 1.457 2.469 10.191 1.00 90.57 3 A 1 ATOM 19 O O . ASN A 1 3 ? 0.732 2.271 9.216 1.00 89.07 3 A 1 ATOM 20 C CB . ASN A 1 3 ? 0.886 0.839 12.010 1.00 83.68 3 A 1 ATOM 21 C CG . ASN A 1 3 ? 0.535 0.639 13.471 1.00 77.05 3 A 1 ATOM 22 O OD1 . ASN A 1 3 ? 1.007 1.348 14.344 1.00 73.00 3 A 1 ATOM 23 N ND2 . ASN A 1 3 ? -0.295 -0.346 13.751 1.00 73.24 3 A 1 ATOM 24 N N . ASN A 1 4 ? 2.737 2.809 10.087 1.00 89.92 4 A 1 ATOM 25 C CA . ASN A 1 4 ? 3.384 3.000 8.790 1.00 93.13 4 A 1 ATOM 26 C C . ASN A 1 4 ? 3.404 1.708 7.968 1.00 94.37 4 A 1 ATOM 27 O O . ASN A 1 4 ? 3.183 1.740 6.758 1.00 93.54 4 A 1 ATOM 28 C CB . ASN A 1 4 ? 4.810 3.534 8.979 1.00 91.10 4 A 1 ATOM 29 C CG . ASN A 1 4 ? 4.848 4.935 9.559 1.00 85.01 4 A 1 ATOM 30 O OD1 . ASN A 1 4 ? 3.900 5.699 9.453 1.00 79.69 4 A 1 ATOM 31 N ND2 . ASN A 1 4 ? 5.956 5.291 10.177 1.00 78.22 4 A 1 ATOM 32 N N . MET A 1 5 ? 3.664 0.580 8.626 1.00 95.09 5 A 1 ATOM 33 C CA . MET A 1 5 ? 3.697 -0.720 7.949 1.00 94.89 5 A 1 ATOM 34 C C . MET A 1 5 ? 2.318 -1.105 7.410 1.00 95.23 5 A 1 ATOM 35 O O . MET A 1 5 ? 2.202 -1.590 6.282 1.00 94.37 5 A 1 ATOM 36 C CB . MET A 1 5 ? 4.218 -1.806 8.909 1.00 93.11 5 A 1 ATOM 37 C CG . MET A 1 5 ? 5.660 -1.535 9.347 1.00 87.90 5 A 1 ATOM 38 S SD . MET A 1 5 ? 6.822 -1.671 7.986 1.00 76.67 5 A 1 ATOM 39 C CE . MET A 1 5 ? 8.041 -0.487 8.497 1.00 69.53 5 A 1 ATOM 40 N N . SER A 1 6 ? 1.273 -0.864 8.187 1.00 94.45 6 A 1 ATOM 41 C CA . SER A 1 6 ? -0.101 -1.142 7.772 1.00 95.43 6 A 1 ATOM 42 C C . SER A 1 6 ? -0.529 -0.223 6.627 1.00 95.93 6 A 1 ATOM 43 O O . SER A 1 6 ? -1.219 -0.658 5.706 1.00 95.06 6 A 1 ATOM 44 C CB . SER A 1 6 ? -1.058 -0.978 8.950 1.00 94.56 6 A 1 ATOM 45 O OG . SER A 1 6 ? -0.712 -1.865 9.994 1.00 84.42 6 A 1 ATOM 46 N N . LEU A 1 7 ? -0.108 1.029 6.677 1.00 96.54 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -0.412 2.010 5.637 1.00 96.37 7 A 1 ATOM 48 C C . LEU A 1 7 ? 0.231 1.612 4.307 1.00 96.62 7 A 1 ATOM 49 O O . LEU A 1 7 ? -0.398 1.734 3.254 1.00 96.40 7 A 1 ATOM 50 C CB . LEU A 1 7 ? 0.075 3.398 6.080 1.00 95.81 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -0.484 4.560 5.261 1.00 90.02 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -1.958 4.797 5.592 1.00 86.11 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? 0.306 5.827 5.544 1.00 86.98 7 A 1 ATOM 54 N N . LEU A 1 8 ? 1.465 1.131 4.350 1.00 96.88 8 A 1 ATOM 55 C CA . LEU A 1 8 ? 2.175 0.670 3.155 1.00 96.66 8 A 1 ATOM 56 C C . LEU A 1 8 ? 1.463 -0.524 2.519 1.00 96.91 8 A 1 ATOM 57 O O . LEU A 1 8 ? 1.353 -0.604 1.294 1.00 96.94 8 A 1 ATOM 58 C CB . LEU A 1 8 ? 3.623 0.298 3.509 1.00 96.31 8 A 1 ATOM 59 C CG . LEU A 1 8 ? 4.549 1.503 3.711 1.00 89.62 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? 5.824 1.077 4.425 1.00 85.93 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? 4.910 2.150 2.376 1.00 87.48 8 A 1 ATOM 62 N N . PHE A 1 9 ? 0.970 -1.431 3.340 1.00 96.11 9 A 1 ATOM 63 C CA . PHE A 1 9 ? 0.231 -2.599 2.862 1.00 95.82 9 A 1 ATOM 64 C C . PHE A 1 9 ? -1.061 -2.174 2.153 1.00 96.43 9 A 1 ATOM 65 O O . PHE A 1 9 ? -1.348 -2.644 1.050 1.00 96.34 9 A 1 ATOM 66 C CB . PHE A 1 9 ? -0.074 -3.537 4.036 1.00 95.30 9 A 1 ATOM 67 C CG . PHE A 1 9 ? -0.807 -4.786 3.618 1.00 92.82 9 A 1 ATOM 68 C CD1 . PHE A 1 9 ? -2.193 -4.867 3.731 1.00 88.64 9 A 1 ATOM 69 C CD2 . PHE A 1 9 ? -0.105 -5.864 3.095 1.00 89.47 9 A 1 ATOM 70 C CE1 . PHE A 1 9 ? -2.875 -6.012 3.326 1.00 87.45 9 A 1 ATOM 71 C CE2 . PHE A 1 9 ? -0.783 -7.014 2.687 1.00 87.50 9 A 1 ATOM 72 C CZ . PHE A 1 9 ? -2.165 -7.084 2.802 1.00 87.89 9 A 1 ATOM 73 N N . LEU A 1 10 ? -1.812 -1.281 2.771 1.00 96.59 10 A 1 ATOM 74 C CA . LEU A 1 10 ? -3.056 -0.774 2.188 1.00 96.52 10 A 1 ATOM 75 C C . LEU A 1 10 ? -2.785 -0.017 0.889 1.00 96.89 10 A 1 ATOM 76 O O . LEU A 1 10 ? -3.531 -0.160 -0.083 1.00 96.79 10 A 1 ATOM 77 C CB . LEU A 1 10 ? -3.775 0.138 3.193 1.00 96.13 10 A 1 ATOM 78 C CG . LEU A 1 10 ? -4.461 -0.603 4.340 1.00 89.91 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? -4.829 0.369 5.453 1.00 85.90 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? -5.723 -1.315 3.853 1.00 87.43 10 A 1 ATOM 81 N N . TRP A 1 11 ? -1.720 0.768 0.864 1.00 95.70 11 A 1 ATOM 82 C CA . TRP A 1 11 ? -1.319 1.515 -0.328 1.00 95.32 11 A 1 ATOM 83 C C . TRP A 1 11 ? -1.021 0.565 -1.489 1.00 95.89 11 A 1 ATOM 84 O O . TRP A 1 11 ? -1.510 0.773 -2.600 1.00 95.39 11 A 1 ATOM 85 C CB . TRP A 1 11 ? -0.105 2.391 -0.009 1.00 95.02 11 A 1 ATOM 86 C CG . TRP A 1 11 ? 0.359 3.213 -1.160 1.00 91.95 11 A 1 ATOM 87 C CD1 . TRP A 1 11 ? -0.211 4.366 -1.608 1.00 86.24 11 A 1 ATOM 88 C CD2 . TRP A 1 11 ? 1.476 2.958 -2.030 1.00 89.47 11 A 1 ATOM 89 N NE1 . TRP A 1 11 ? 0.480 4.841 -2.702 1.00 83.68 11 A 1 ATOM 90 C CE2 . TRP A 1 11 ? 1.526 4.000 -2.988 1.00 87.16 11 A 1 ATOM 91 C CE3 . TRP A 1 11 ? 2.443 1.943 -2.100 1.00 83.84 11 A 1 ATOM 92 C CZ2 . TRP A 1 11 ? 2.506 4.047 -3.987 1.00 84.97 11 A 1 ATOM 93 C CZ3 . TRP A 1 11 ? 3.419 1.988 -3.091 1.00 79.59 11 A 1 ATOM 94 C CH2 . TRP A 1 11 ? 3.444 3.034 -4.027 1.00 79.64 11 A 1 ATOM 95 N N . SER A 1 12 ? -0.261 -0.481 -1.234 1.00 96.59 12 A 1 ATOM 96 C CA . SER A 1 12 ? 0.066 -1.473 -2.260 1.00 96.65 12 A 1 ATOM 97 C C . SER A 1 12 ? -1.188 -2.175 -2.784 1.00 97.13 12 A 1 ATOM 98 O O . SER A 1 12 ? -1.296 -2.434 -3.981 1.00 96.08 12 A 1 ATOM 99 C CB . SER A 1 12 ? 1.036 -2.507 -1.703 1.00 95.76 12 A 1 ATOM 100 O OG . SER A 1 12 ? 2.253 -1.889 -1.345 1.00 88.85 12 A 1 ATOM 101 N N . LEU A 1 13 ? -2.123 -2.461 -1.906 1.00 97.10 13 A 1 ATOM 102 C CA . LEU A 1 13 ? -3.389 -3.095 -2.273 1.00 96.94 13 A 1 ATOM 103 C C . LEU A 1 13 ? -4.211 -2.186 -3.194 1.00 97.40 13 A 1 ATOM 104 O O . LEU A 1 13 ? -4.767 -2.646 -4.191 1.00 96.99 13 A 1 ATOM 105 C CB . LEU A 1 13 ? -4.180 -3.438 -1.005 1.00 96.47 13 A 1 ATOM 106 C CG . LEU A 1 13 ? -5.343 -4.402 -1.246 1.00 91.47 13 A 1 ATOM 107 C CD1 . LEU A 1 13 ? -5.065 -5.748 -0.586 1.00 88.20 13 A 1 ATOM 108 C CD2 . LEU A 1 13 ? -6.639 -3.831 -0.693 1.00 89.92 13 A 1 ATOM 109 N N . VAL A 1 14 ? -4.276 -0.903 -2.871 1.00 97.02 14 A 1 ATOM 110 C CA . VAL A 1 14 ? -5.012 0.082 -3.675 1.00 96.88 14 A 1 ATOM 111 C C . VAL A 1 14 ? -4.373 0.226 -5.060 1.00 97.39 14 A 1 ATOM 112 O O . VAL A 1 14 ? -5.082 0.295 -6.069 1.00 96.80 14 A 1 ATOM 113 C CB . VAL A 1 14 ? -5.097 1.441 -2.940 1.00 95.96 14 A 1 ATOM 114 C CG1 . VAL A 1 14 ? -5.689 2.537 -3.829 1.00 93.39 14 A 1 ATOM 115 C CG2 . VAL A 1 14 ? -5.952 1.318 -1.683 1.00 92.96 14 A 1 ATOM 116 N N . ILE A 1 15 ? -3.050 0.250 -5.117 1.00 97.37 15 A 1 ATOM 117 C CA . ILE A 1 15 ? -2.321 0.346 -6.387 1.00 97.16 15 A 1 ATOM 118 C C . ILE A 1 15 ? -2.638 -0.866 -7.267 1.00 97.48 15 A 1 ATOM 119 O O . ILE A 1 15 ? -2.914 -0.719 -8.458 1.00 97.11 15 A 1 ATOM 120 C CB . ILE A 1 15 ? -0.798 0.483 -6.136 1.00 96.80 15 A 1 ATOM 121 C CG1 . ILE A 1 15 ? -0.457 1.829 -5.448 1.00 95.60 15 A 1 ATOM 122 C CG2 . ILE A 1 15 ? 0.003 0.331 -7.433 1.00 95.02 15 A 1 ATOM 123 C CD1 . ILE A 1 15 ? -0.687 3.073 -6.307 1.00 92.29 15 A 1 ATOM 124 N N . PHE A 1 16 ? -2.620 -2.049 -6.688 1.00 97.64 16 A 1 ATOM 125 C CA . PHE A 1 16 ? -2.937 -3.280 -7.412 1.00 97.51 16 A 1 ATOM 126 C C . PHE A 1 16 ? -4.362 -3.246 -7.972 1.00 97.78 16 A 1 ATOM 127 O O . PHE A 1 16 ? -4.588 -3.618 -9.124 1.00 97.34 16 A 1 ATOM 128 C CB . PHE A 1 16 ? -2.740 -4.483 -6.487 1.00 97.13 16 A 1 ATOM 129 C CG . PHE A 1 16 ? -3.067 -5.798 -7.150 1.00 95.12 16 A 1 ATOM 130 C CD1 . PHE A 1 16 ? -2.180 -6.370 -8.056 1.00 91.55 16 A 1 ATOM 131 C CD2 . PHE A 1 16 ? -4.267 -6.443 -6.870 1.00 92.60 16 A 1 ATOM 132 C CE1 . PHE A 1 16 ? -2.486 -7.574 -8.675 1.00 90.75 16 A 1 ATOM 133 C CE2 . PHE A 1 16 ? -4.577 -7.649 -7.495 1.00 91.21 16 A 1 ATOM 134 C CZ . PHE A 1 16 ? -3.687 -8.214 -8.397 1.00 91.21 16 A 1 ATOM 135 N N . LEU A 1 17 ? -5.314 -2.792 -7.169 1.00 97.79 17 A 1 ATOM 136 C CA . LEU A 1 17 ? -6.717 -2.715 -7.578 1.00 97.66 17 A 1 ATOM 137 C C . LEU A 1 17 ? -6.945 -1.665 -8.668 1.00 97.82 17 A 1 ATOM 138 O O . LEU A 1 17 ? -7.795 -1.854 -9.541 1.00 97.30 17 A 1 ATOM 139 C CB . LEU A 1 17 ? -7.585 -2.409 -6.346 1.00 97.40 17 A 1 ATOM 140 C CG . LEU A 1 17 ? -9.091 -2.606 -6.553 1.00 95.09 17 A 1 ATOM 141 C CD1 . LEU A 1 17 ? -9.446 -4.093 -6.612 1.00 91.62 17 A 1 ATOM 142 C CD2 . LEU A 1 17 ? -9.864 -1.942 -5.428 1.00 92.62 17 A 1 ATOM 143 N N . THR A 1 18 ? -6.203 -0.566 -8.620 1.00 97.40 18 A 1 ATOM 144 C CA . THR A 1 18 ? -6.378 0.549 -9.554 1.00 97.22 18 A 1 ATOM 145 C C . THR A 1 18 ? -5.616 0.353 -10.870 1.00 97.05 18 A 1 ATOM 146 O O . THR A 1 18 ? -6.162 0.636 -11.942 1.00 95.65 18 A 1 ATOM 147 C CB . THR A 1 18 ? -5.950 1.869 -8.885 1.00 96.31 18 A 1 ATOM 148 O OG1 . THR A 1 18 ? -6.632 2.023 -7.643 1.00 91.68 18 A 1 ATOM 149 C CG2 . THR A 1 18 ? -6.280 3.080 -9.749 1.00 89.62 18 A 1 ATOM 150 N N . PHE A 1 19 ? -4.368 -0.100 -10.787 1.00 96.50 19 A 1 ATOM 151 C CA . PHE A 1 19 ? -3.493 -0.179 -11.962 1.00 95.72 19 A 1 ATOM 152 C C . PHE A 1 19 ? -3.327 -1.585 -12.542 1.00 95.93 19 A 1 ATOM 153 O O . PHE A 1 19 ? -2.742 -1.730 -13.616 1.00 94.48 19 A 1 ATOM 154 C CB . PHE A 1 19 ? -2.121 0.420 -11.622 1.00 94.30 19 A 1 ATOM 155 C CG . PHE A 1 19 ? -2.163 1.914 -11.398 1.00 92.27 19 A 1 ATOM 156 C CD1 . PHE A 1 19 ? -2.374 2.438 -10.129 1.00 88.05 19 A 1 ATOM 157 C CD2 . PHE A 1 19 ? -2.000 2.781 -12.469 1.00 88.33 19 A 1 ATOM 158 C CE1 . PHE A 1 19 ? -2.423 3.814 -9.926 1.00 87.90 19 A 1 ATOM 159 C CE2 . PHE A 1 19 ? -2.043 4.159 -12.275 1.00 87.24 19 A 1 ATOM 160 C CZ . PHE A 1 19 ? -2.255 4.674 -11.004 1.00 87.26 19 A 1 ATOM 161 N N . ALA A 1 20 ? -3.822 -2.602 -11.871 1.00 94.32 20 A 1 ATOM 162 C CA . ALA A 1 20 ? -3.698 -3.975 -12.344 1.00 92.02 20 A 1 ATOM 163 C C . ALA A 1 20 ? -5.071 -4.615 -12.535 1.00 88.58 20 A 1 ATOM 164 O O . ALA A 1 20 ? -6.030 -4.215 -11.839 1.00 85.39 20 A 1 ATOM 165 C CB . ALA A 1 20 ? -2.834 -4.784 -11.380 1.00 88.29 20 A 1 ATOM 166 O OXT . ALA A 1 20 ? -5.204 -5.514 -13.384 1.00 78.69 20 A 1 #