# 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_spkb16008 # _entry.id spkb16008 # 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" "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" "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 ALA 2 1 n PHE 3 1 n THR 4 1 n ALA 5 1 n ILE 6 1 n SER 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n ALA 11 1 n ALA 12 1 n LEU 13 1 n GLY 14 1 n VAL 15 1 n ILE 16 1 n ASN 17 1 n THR 18 1 n ALA 19 1 n PHE 20 1 n ALA 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 07:18:02)" _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 95.93 _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 86.26 1 1 A ALA 2 2 96.33 1 2 A PHE 3 2 93.57 1 3 A THR 4 2 97.09 1 4 A ALA 5 2 98.37 1 5 A ILE 6 2 97.45 1 6 A SER 7 2 97.86 1 7 A LEU 8 2 97.53 1 8 A PHE 9 2 96.76 1 9 A LEU 10 2 97.13 1 10 A ALA 11 2 98.31 1 11 A ALA 12 2 98.56 1 12 A LEU 13 2 96.55 1 13 A GLY 14 2 98.41 1 14 A VAL 15 2 97.69 1 15 A ILE 16 2 96.77 1 16 A ASN 17 2 96.61 1 17 A THR 18 2 97.32 1 18 A ALA 19 2 98.06 1 19 A PHE 20 2 93.80 1 20 A ALA 21 2 89.98 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 ALA . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n SER . 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 ALA . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n PHE . 20 A 20 A 21 1 n ALA . 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 ? -9.610 7.970 13.687 1.00 91.08 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.211 7.914 13.220 1.00 92.33 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.155 7.900 11.695 1.00 92.26 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.927 6.859 11.079 1.00 90.16 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.512 6.665 13.763 1.00 87.53 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.371 6.687 15.270 1.00 83.63 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.548 5.216 15.898 1.00 80.49 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.481 5.611 17.639 1.00 72.57 1 A 1 ATOM 9 N N . ALA A 1 2 ? -8.371 9.070 11.108 1.00 94.43 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -8.360 9.187 9.652 1.00 96.79 2 A 1 ATOM 11 C C . ALA A 1 2 ? -6.947 9.037 9.099 1.00 97.69 2 A 1 ATOM 12 O O . ALA A 1 2 ? -6.732 8.404 8.065 1.00 97.23 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -8.950 10.531 9.241 1.00 95.49 2 A 1 ATOM 14 N N . PHE A 1 3 ? -5.977 9.607 9.812 1.00 97.21 3 A 1 ATOM 15 C CA . PHE A 1 3 ? -4.579 9.558 9.389 1.00 97.47 3 A 1 ATOM 16 C C . PHE A 1 3 ? -4.057 8.124 9.364 1.00 98.14 3 A 1 ATOM 17 O O . PHE A 1 3 ? -3.235 7.764 8.518 1.00 97.94 3 A 1 ATOM 18 C CB . PHE A 1 3 ? -3.721 10.410 10.327 1.00 96.45 3 A 1 ATOM 19 C CG . PHE A 1 3 ? -2.319 10.600 9.817 1.00 92.95 3 A 1 ATOM 20 C CD1 . PHE A 1 3 ? -1.320 9.704 10.165 1.00 90.74 3 A 1 ATOM 21 C CD2 . PHE A 1 3 ? -2.016 11.660 8.983 1.00 91.11 3 A 1 ATOM 22 C CE1 . PHE A 1 3 ? -0.025 9.864 9.687 1.00 89.93 3 A 1 ATOM 23 C CE2 . PHE A 1 3 ? -0.723 11.826 8.499 1.00 88.72 3 A 1 ATOM 24 C CZ . PHE A 1 3 ? 0.269 10.925 8.852 1.00 88.57 3 A 1 ATOM 25 N N . THR A 1 4 ? -4.556 7.302 10.283 1.00 97.99 4 A 1 ATOM 26 C CA . THR A 1 4 ? -4.134 5.902 10.355 1.00 98.22 4 A 1 ATOM 27 C C . THR A 1 4 ? -4.500 5.160 9.074 1.00 98.47 4 A 1 ATOM 28 O O . THR A 1 4 ? -3.692 4.409 8.528 1.00 98.30 4 A 1 ATOM 29 C CB . THR A 1 4 ? -4.781 5.194 11.548 1.00 97.82 4 A 1 ATOM 30 O OG1 . THR A 1 4 ? -4.531 5.939 12.738 1.00 95.11 4 A 1 ATOM 31 C CG2 . THR A 1 4 ? -4.225 3.791 11.714 1.00 93.69 4 A 1 ATOM 32 N N . ALA A 1 5 ? -5.720 5.377 8.593 1.00 98.27 5 A 1 ATOM 33 C CA . ALA A 1 5 ? -6.180 4.733 7.368 1.00 98.46 5 A 1 ATOM 34 C C . ALA A 1 5 ? -5.372 5.210 6.166 1.00 98.59 5 A 1 ATOM 35 O O . ALA A 1 5 ? -4.969 4.410 5.319 1.00 98.39 5 A 1 ATOM 36 C CB . ALA A 1 5 ? -7.663 5.021 7.158 1.00 98.14 5 A 1 ATOM 37 N N . ILE A 1 6 ? -5.132 6.509 6.117 1.00 98.47 6 A 1 ATOM 38 C CA . ILE A 1 6 ? -4.353 7.099 5.031 1.00 98.42 6 A 1 ATOM 39 C C . ILE A 1 6 ? -2.921 6.578 5.064 1.00 98.51 6 A 1 ATOM 40 O O . ILE A 1 6 ? -2.349 6.222 4.030 1.00 98.43 6 A 1 ATOM 41 C CB . ILE A 1 6 ? -4.361 8.632 5.129 1.00 98.29 6 A 1 ATOM 42 C CG1 . ILE A 1 6 ? -5.793 9.166 5.009 1.00 97.10 6 A 1 ATOM 43 C CG2 . ILE A 1 6 ? -3.478 9.231 4.035 1.00 96.55 6 A 1 ATOM 44 C CD1 . ILE A 1 6 ? -5.904 10.639 5.340 1.00 93.86 6 A 1 ATOM 45 N N . SER A 1 7 ? -2.353 6.515 6.254 1.00 98.46 7 A 1 ATOM 46 C CA . SER A 1 7 ? -0.989 6.029 6.435 1.00 98.47 7 A 1 ATOM 47 C C . SER A 1 7 ? -0.874 4.570 6.016 1.00 98.59 7 A 1 ATOM 48 O O . SER A 1 7 ? 0.083 4.178 5.350 1.00 98.43 7 A 1 ATOM 49 C CB . SER A 1 7 ? -0.559 6.187 7.890 1.00 98.15 7 A 1 ATOM 50 O OG . SER A 1 7 ? 0.773 5.746 8.062 1.00 95.03 7 A 1 ATOM 51 N N . LEU A 1 8 ? -1.865 3.773 6.394 1.00 98.58 8 A 1 ATOM 52 C CA . LEU A 1 8 ? -1.879 2.357 6.041 1.00 98.56 8 A 1 ATOM 53 C C . LEU A 1 8 ? -1.992 2.180 4.531 1.00 98.61 8 A 1 ATOM 54 O O . LEU A 1 8 ? -1.312 1.338 3.941 1.00 98.49 8 A 1 ATOM 55 C CB . LEU A 1 8 ? -3.046 1.658 6.740 1.00 98.44 8 A 1 ATOM 56 C CG . LEU A 1 8 ? -3.093 0.148 6.521 1.00 96.80 8 A 1 ATOM 57 C CD1 . LEU A 1 8 ? -1.868 -0.522 7.124 1.00 95.29 8 A 1 ATOM 58 C CD2 . LEU A 1 8 ? -4.359 -0.436 7.129 1.00 95.50 8 A 1 ATOM 59 N N . PHE A 1 9 ? -2.851 2.977 3.918 1.00 98.11 9 A 1 ATOM 60 C CA . PHE A 1 9 ? -3.030 2.932 2.470 1.00 97.97 9 A 1 ATOM 61 C C . PHE A 1 9 ? -1.737 3.302 1.754 1.00 98.25 9 A 1 ATOM 62 O O . PHE A 1 9 ? -1.313 2.619 0.816 1.00 98.24 9 A 1 ATOM 63 C CB . PHE A 1 9 ? -4.153 3.888 2.069 1.00 97.80 9 A 1 ATOM 64 C CG . PHE A 1 9 ? -4.372 3.932 0.581 1.00 97.15 9 A 1 ATOM 65 C CD1 . PHE A 1 9 ? -5.001 2.880 -0.063 1.00 95.58 9 A 1 ATOM 66 C CD2 . PHE A 1 9 ? -3.957 5.022 -0.159 1.00 95.94 9 A 1 ATOM 67 C CE1 . PHE A 1 9 ? -5.207 2.910 -1.434 1.00 95.12 9 A 1 ATOM 68 C CE2 . PHE A 1 9 ? -4.154 5.057 -1.534 1.00 94.88 9 A 1 ATOM 69 C CZ . PHE A 1 9 ? -4.779 4.001 -2.173 1.00 95.31 9 A 1 ATOM 70 N N . LEU A 1 10 ? -1.108 4.367 2.214 1.00 98.39 10 A 1 ATOM 71 C CA . LEU A 1 10 ? 0.150 4.821 1.626 1.00 98.30 10 A 1 ATOM 72 C C . LEU A 1 10 ? 1.246 3.781 1.827 1.00 98.43 10 A 1 ATOM 73 O O . LEU A 1 10 ? 2.041 3.515 0.925 1.00 98.35 10 A 1 ATOM 74 C CB . LEU A 1 10 ? 0.563 6.154 2.254 1.00 98.06 10 A 1 ATOM 75 C CG . LEU A 1 10 ? 1.744 6.825 1.562 1.00 95.89 10 A 1 ATOM 76 C CD1 . LEU A 1 10 ? 1.388 7.228 0.143 1.00 94.79 10 A 1 ATOM 77 C CD2 . LEU A 1 10 ? 2.200 8.038 2.357 1.00 94.84 10 A 1 ATOM 78 N N . ALA A 1 11 ? 1.277 3.183 3.009 1.00 98.41 11 A 1 ATOM 79 C CA . ALA A 1 11 ? 2.255 2.145 3.320 1.00 98.37 11 A 1 ATOM 80 C C . ALA A 1 11 ? 2.054 0.935 2.417 1.00 98.52 11 A 1 ATOM 81 O O . ALA A 1 11 ? 3.021 0.342 1.941 1.00 98.19 11 A 1 ATOM 82 C CB . ALA A 1 11 ? 2.132 1.739 4.784 1.00 98.08 11 A 1 ATOM 83 N N . ALA A 1 12 ? 0.792 0.581 2.181 1.00 98.59 12 A 1 ATOM 84 C CA . ALA A 1 12 ? 0.468 -0.540 1.308 1.00 98.61 12 A 1 ATOM 85 C C . ALA A 1 12 ? 1.002 -0.297 -0.099 1.00 98.69 12 A 1 ATOM 86 O O . ALA A 1 12 ? 1.581 -1.195 -0.713 1.00 98.49 12 A 1 ATOM 87 C CB . ALA A 1 12 ? -1.042 -0.757 1.272 1.00 98.44 12 A 1 ATOM 88 N N . LEU A 1 13 ? 0.828 0.918 -0.595 1.00 98.21 13 A 1 ATOM 89 C CA . LEU A 1 13 ? 1.337 1.282 -1.913 1.00 98.04 13 A 1 ATOM 90 C C . LEU A 1 13 ? 2.856 1.163 -1.953 1.00 98.21 13 A 1 ATOM 91 O O . LEU A 1 13 ? 3.423 0.688 -2.937 1.00 97.93 13 A 1 ATOM 92 C CB . LEU A 1 13 ? 0.920 2.714 -2.261 1.00 97.60 13 A 1 ATOM 93 C CG . LEU A 1 13 ? -0.576 2.901 -2.486 1.00 95.61 13 A 1 ATOM 94 C CD1 . LEU A 1 13 ? -0.885 4.373 -2.720 1.00 93.74 13 A 1 ATOM 95 C CD2 . LEU A 1 13 ? -1.058 2.063 -3.657 1.00 93.06 13 A 1 ATOM 96 N N . GLY A 1 14 ? 3.507 1.582 -0.879 1.00 98.38 14 A 1 ATOM 97 C CA . GLY A 1 14 ? 4.958 1.484 -0.784 1.00 98.34 14 A 1 ATOM 98 C C . GLY A 1 14 ? 5.432 0.046 -0.801 1.00 98.58 14 A 1 ATOM 99 O O . GLY A 1 14 ? 6.409 -0.288 -1.472 1.00 98.33 14 A 1 ATOM 100 N N . VAL A 1 15 ? 4.724 -0.819 -0.077 1.00 98.36 15 A 1 ATOM 101 C CA . VAL A 1 15 ? 5.063 -2.241 -0.033 1.00 98.35 15 A 1 ATOM 102 C C . VAL A 1 15 ? 4.895 -2.873 -1.406 1.00 98.51 15 A 1 ATOM 103 O O . VAL A 1 15 ? 5.754 -3.628 -1.865 1.00 98.29 15 A 1 ATOM 104 C CB . VAL A 1 15 ? 4.194 -2.983 0.994 1.00 97.94 15 A 1 ATOM 105 C CG1 . VAL A 1 15 ? 4.463 -4.482 0.942 1.00 96.20 15 A 1 ATOM 106 C CG2 . VAL A 1 15 ? 4.470 -2.463 2.395 1.00 96.15 15 A 1 ATOM 107 N N . ILE A 1 16 ? 3.790 -2.556 -2.059 1.00 98.36 16 A 1 ATOM 108 C CA . ILE A 1 16 ? 3.533 -3.084 -3.396 1.00 98.18 16 A 1 ATOM 109 C C . ILE A 1 16 ? 4.596 -2.594 -4.371 1.00 98.22 16 A 1 ATOM 110 O O . ILE A 1 16 ? 5.085 -3.357 -5.210 1.00 98.02 16 A 1 ATOM 111 C CB . ILE A 1 16 ? 2.136 -2.671 -3.882 1.00 97.81 16 A 1 ATOM 112 C CG1 . ILE A 1 16 ? 1.057 -3.275 -2.976 1.00 96.13 16 A 1 ATOM 113 C CG2 . ILE A 1 16 ? 1.923 -3.126 -5.329 1.00 95.25 16 A 1 ATOM 114 C CD1 . ILE A 1 16 ? -0.314 -2.672 -3.194 1.00 92.21 16 A 1 ATOM 115 N N . ASN A 1 17 ? 4.952 -1.331 -4.241 1.00 98.52 17 A 1 ATOM 116 C CA . ASN A 1 17 ? 5.964 -0.734 -5.106 1.00 98.43 17 A 1 ATOM 117 C C . ASN A 1 17 ? 7.317 -1.406 -4.914 1.00 98.51 17 A 1 ATOM 118 O O . ASN A 1 17 ? 7.984 -1.771 -5.884 1.00 98.33 17 A 1 ATOM 119 C CB . ASN A 1 17 ? 6.072 0.765 -4.820 1.00 98.10 17 A 1 ATOM 120 C CG . ASN A 1 17 ? 6.918 1.476 -5.854 1.00 96.24 17 A 1 ATOM 121 O OD1 . ASN A 1 17 ? 7.716 0.886 -6.565 1.00 93.03 17 A 1 ATOM 122 N ND2 . ASN A 1 17 ? 6.758 2.783 -5.957 1.00 91.73 17 A 1 ATOM 123 N N . THR A 1 18 ? 7.718 -1.594 -3.662 1.00 98.45 18 A 1 ATOM 124 C CA . THR A 1 18 ? 9.012 -2.209 -3.376 1.00 98.32 18 A 1 ATOM 125 C C . THR A 1 18 ? 9.025 -3.677 -3.791 1.00 98.42 18 A 1 ATOM 126 O O . THR A 1 18 ? 10.060 -4.199 -4.199 1.00 98.02 18 A 1 ATOM 127 C CB . THR A 1 18 ? 9.376 -2.077 -1.885 1.00 97.93 18 A 1 ATOM 128 O OG1 . THR A 1 18 ? 10.759 -2.386 -1.716 1.00 95.62 18 A 1 ATOM 129 C CG2 . THR A 1 18 ? 8.572 -3.018 -1.012 1.00 94.50 18 A 1 ATOM 130 N N . ALA A 1 19 ? 7.875 -4.335 -3.697 1.00 98.18 19 A 1 ATOM 131 C CA . ALA A 1 19 ? 7.765 -5.729 -4.110 1.00 98.13 19 A 1 ATOM 132 C C . ALA A 1 19 ? 7.814 -5.846 -5.629 1.00 98.27 19 A 1 ATOM 133 O O . ALA A 1 19 ? 8.385 -6.791 -6.172 1.00 97.91 19 A 1 ATOM 134 C CB . ALA A 1 19 ? 6.472 -6.334 -3.574 1.00 97.79 19 A 1 ATOM 135 N N . PHE A 1 20 ? 7.201 -4.884 -6.301 1.00 97.51 20 A 1 ATOM 136 C CA . PHE A 1 20 ? 7.196 -4.856 -7.759 1.00 97.03 20 A 1 ATOM 137 C C . PHE A 1 20 ? 8.551 -4.426 -8.312 1.00 97.26 20 A 1 ATOM 138 O O . PHE A 1 20 ? 8.988 -4.922 -9.356 1.00 96.53 20 A 1 ATOM 139 C CB . PHE A 1 20 ? 6.104 -3.907 -8.250 1.00 95.90 20 A 1 ATOM 140 C CG . PHE A 1 20 ? 6.058 -3.785 -9.745 1.00 93.96 20 A 1 ATOM 141 C CD1 . PHE A 1 20 ? 5.579 -4.822 -10.522 1.00 91.24 20 A 1 ATOM 142 C CD2 . PHE A 1 20 ? 6.507 -2.634 -10.370 1.00 91.60 20 A 1 ATOM 143 C CE1 . PHE A 1 20 ? 5.538 -4.720 -11.904 1.00 90.79 20 A 1 ATOM 144 C CE2 . PHE A 1 20 ? 6.476 -2.521 -11.755 1.00 89.91 20 A 1 ATOM 145 C CZ . PHE A 1 20 ? 5.989 -3.566 -12.522 1.00 90.11 20 A 1 ATOM 146 N N . ALA A 1 21 ? 9.195 -3.513 -7.607 1.00 94.84 21 A 1 ATOM 147 C CA . ALA A 1 21 ? 10.479 -2.980 -8.034 1.00 93.33 21 A 1 ATOM 148 C C . ALA A 1 21 ? 11.635 -3.853 -7.550 1.00 91.39 21 A 1 ATOM 149 O O . ALA A 1 21 ? 11.546 -4.401 -6.439 1.00 88.23 21 A 1 ATOM 150 C CB . ALA A 1 21 ? 10.647 -1.548 -7.548 1.00 89.65 21 A 1 ATOM 151 O OXT . ALA A 1 21 ? 12.641 -3.963 -8.258 1.00 82.42 21 A 1 #