# 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_spkb16307 # _entry.id spkb16307 # 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" "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" "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" "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 VAL 2 1 n PHE 3 1 n LYS 4 1 n PRO 5 1 n LEU 6 1 n THR 7 1 n ILE 8 1 n ALA 9 1 n ALA 10 1 n ALA 11 1 n ILE 12 1 n ALA 13 1 n GLY 14 1 n LEU 15 1 n THR 16 1 n PRO 17 1 n PHE 18 1 n VAL 19 1 n SER 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 @ 2025-07-06 18:39:16)" _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 91.01 _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 78.90 1 1 A VAL 2 2 86.71 1 2 A PHE 3 2 86.37 1 3 A LYS 4 2 89.57 1 4 A PRO 5 2 95.06 1 5 A LEU 6 2 92.66 1 6 A THR 7 2 94.01 1 7 A ILE 8 2 93.04 1 8 A ALA 9 2 95.08 1 9 A ALA 10 2 94.89 1 10 A ALA 11 2 95.40 1 11 A ILE 12 2 93.10 1 12 A ALA 13 2 94.49 1 13 A GLY 14 2 95.54 1 14 A LEU 15 2 92.29 1 15 A THR 16 2 92.68 1 16 A PRO 17 2 95.07 1 17 A PHE 18 2 91.11 1 18 A VAL 19 2 92.03 1 19 A SER 20 2 88.35 1 20 A ALA 21 2 83.53 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 VAL . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n SER . 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 ? 6.365 -12.100 7.956 1.00 83.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.168 -11.338 8.343 1.00 85.89 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.916 -10.196 7.359 1.00 86.07 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.723 -9.046 7.743 1.00 82.42 1 A 1 ATOM 5 C CB . MET A 1 1 ? 5.345 -10.777 9.755 1.00 80.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.459 -11.881 10.786 1.00 75.40 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.710 -11.239 12.448 1.00 72.09 1 A 1 ATOM 8 C CE . MET A 1 1 ? 5.769 -12.770 13.370 1.00 65.64 1 A 1 ATOM 9 N N . VAL A 1 2 ? 4.933 -10.532 6.072 1.00 87.11 2 A 1 ATOM 10 C CA . VAL A 1 2 ? 4.727 -9.539 5.018 1.00 89.63 2 A 1 ATOM 11 C C . VAL A 1 2 ? 3.475 -9.858 4.202 1.00 91.20 2 A 1 ATOM 12 O O . VAL A 1 2 ? 3.118 -9.137 3.273 1.00 89.46 2 A 1 ATOM 13 C CB . VAL A 1 2 ? 5.951 -9.492 4.093 1.00 86.81 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? 5.824 -8.354 3.087 1.00 81.01 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? 7.223 -9.334 4.904 1.00 81.73 2 A 1 ATOM 16 N N . PHE A 1 3 ? 2.821 -10.952 4.558 1.00 90.17 3 A 1 ATOM 17 C CA . PHE A 1 3 ? 1.626 -11.393 3.840 1.00 91.42 3 A 1 ATOM 18 C C . PHE A 1 3 ? 0.365 -10.711 4.376 1.00 93.81 3 A 1 ATOM 19 O O . PHE A 1 3 ? -0.664 -11.356 4.606 1.00 92.53 3 A 1 ATOM 20 C CB . PHE A 1 3 ? 1.492 -12.912 3.942 1.00 89.41 3 A 1 ATOM 21 C CG . PHE A 1 3 ? 1.421 -13.394 5.368 1.00 86.37 3 A 1 ATOM 22 C CD1 . PHE A 1 3 ? 0.188 -13.565 5.986 1.00 83.11 3 A 1 ATOM 23 C CD2 . PHE A 1 3 ? 2.572 -13.663 6.086 1.00 82.62 3 A 1 ATOM 24 C CE1 . PHE A 1 3 ? 0.109 -13.997 7.302 1.00 80.25 3 A 1 ATOM 25 C CE2 . PHE A 1 3 ? 2.503 -14.092 7.409 1.00 80.37 3 A 1 ATOM 26 C CZ . PHE A 1 3 ? 1.269 -14.259 8.011 1.00 80.02 3 A 1 ATOM 27 N N . LYS A 1 4 ? 0.432 -9.406 4.549 1.00 94.13 4 A 1 ATOM 28 C CA . LYS A 1 4 ? -0.705 -8.645 5.066 1.00 94.92 4 A 1 ATOM 29 C C . LYS A 1 4 ? -1.495 -8.032 3.914 1.00 95.44 4 A 1 ATOM 30 O O . LYS A 1 4 ? -1.305 -6.864 3.572 1.00 95.53 4 A 1 ATOM 31 C CB . LYS A 1 4 ? -0.202 -7.556 6.013 1.00 93.80 4 A 1 ATOM 32 C CG . LYS A 1 4 ? 0.529 -8.132 7.210 1.00 88.69 4 A 1 ATOM 33 C CD . LYS A 1 4 ? 1.118 -7.035 8.078 1.00 86.04 4 A 1 ATOM 34 C CE . LYS A 1 4 ? 0.042 -6.313 8.867 1.00 81.84 4 A 1 ATOM 35 N NZ . LYS A 1 4 ? 0.642 -5.323 9.805 1.00 75.76 4 A 1 ATOM 36 N N . PRO A 1 5 ? -2.375 -8.803 3.291 1.00 96.01 5 A 1 ATOM 37 C CA . PRO A 1 5 ? -3.181 -8.345 2.153 1.00 95.87 5 A 1 ATOM 38 C C . PRO A 1 5 ? -4.083 -7.164 2.492 1.00 96.15 5 A 1 ATOM 39 O O . PRO A 1 5 ? -4.245 -6.248 1.687 1.00 95.17 5 A 1 ATOM 40 C CB . PRO A 1 5 ? -4.007 -9.582 1.779 1.00 94.39 5 A 1 ATOM 41 C CG . PRO A 1 5 ? -4.064 -10.383 3.042 1.00 93.21 5 A 1 ATOM 42 C CD . PRO A 1 5 ? -2.730 -10.153 3.709 1.00 94.63 5 A 1 ATOM 43 N N . LEU A 1 6 ? -4.660 -7.182 3.672 1.00 95.92 6 A 1 ATOM 44 C CA . LEU A 1 6 ? -5.555 -6.111 4.098 1.00 95.74 6 A 1 ATOM 45 C C . LEU A 1 6 ? -4.796 -4.803 4.286 1.00 96.08 6 A 1 ATOM 46 O O . LEU A 1 6 ? -5.223 -3.750 3.819 1.00 95.48 6 A 1 ATOM 47 C CB . LEU A 1 6 ? -6.242 -6.508 5.404 1.00 95.13 6 A 1 ATOM 48 C CG . LEU A 1 6 ? -7.114 -7.758 5.290 1.00 89.24 6 A 1 ATOM 49 C CD1 . LEU A 1 6 ? -7.670 -8.126 6.656 1.00 87.21 6 A 1 ATOM 50 C CD2 . LEU A 1 6 ? -8.243 -7.532 4.298 1.00 86.47 6 A 1 ATOM 51 N N . THR A 1 7 ? -3.660 -4.880 4.952 1.00 95.77 7 A 1 ATOM 52 C CA . THR A 1 7 ? -2.832 -3.699 5.201 1.00 95.55 7 A 1 ATOM 53 C C . THR A 1 7 ? -2.255 -3.148 3.901 1.00 95.73 7 A 1 ATOM 54 O O . THR A 1 7 ? -2.267 -1.942 3.663 1.00 95.17 7 A 1 ATOM 55 C CB . THR A 1 7 ? -1.682 -4.034 6.154 1.00 94.95 7 A 1 ATOM 56 O OG1 . THR A 1 7 ? -2.203 -4.597 7.354 1.00 91.35 7 A 1 ATOM 57 C CG2 . THR A 1 7 ? -0.885 -2.788 6.495 1.00 89.53 7 A 1 ATOM 58 N N . ILE A 1 8 ? -1.752 -4.034 3.057 1.00 95.83 8 A 1 ATOM 59 C CA . ILE A 1 8 ? -1.173 -3.635 1.778 1.00 94.97 8 A 1 ATOM 60 C C . ILE A 1 8 ? -2.236 -2.995 0.891 1.00 95.24 8 A 1 ATOM 61 O O . ILE A 1 8 ? -2.000 -1.967 0.254 1.00 95.05 8 A 1 ATOM 62 C CB . ILE A 1 8 ? -0.554 -4.845 1.063 1.00 94.57 8 A 1 ATOM 63 C CG1 . ILE A 1 8 ? 0.605 -5.405 1.888 1.00 91.91 8 A 1 ATOM 64 C CG2 . ILE A 1 8 ? -0.067 -4.444 -0.326 1.00 90.79 8 A 1 ATOM 65 C CD1 . ILE A 1 8 ? 1.126 -6.732 1.364 1.00 85.96 8 A 1 ATOM 66 N N . ALA A 1 9 ? -3.398 -3.597 0.843 1.00 95.59 9 A 1 ATOM 67 C CA . ALA A 1 9 ? -4.492 -3.079 0.029 1.00 94.93 9 A 1 ATOM 68 C C . ALA A 1 9 ? -4.891 -1.682 0.489 1.00 95.73 9 A 1 ATOM 69 O O . ALA A 1 9 ? -5.139 -0.792 -0.327 1.00 95.15 9 A 1 ATOM 70 C CB . ALA A 1 9 ? -5.691 -4.018 0.118 1.00 93.99 9 A 1 ATOM 71 N N . ALA A 1 10 ? -4.944 -1.477 1.781 1.00 95.30 10 A 1 ATOM 72 C CA . ALA A 1 10 ? -5.302 -0.181 2.344 1.00 94.74 10 A 1 ATOM 73 C C . ALA A 1 10 ? -4.250 0.867 2.005 1.00 95.83 10 A 1 ATOM 74 O O . ALA A 1 10 ? -4.580 2.014 1.702 1.00 94.97 10 A 1 ATOM 75 C CB . ALA A 1 10 ? -5.450 -0.303 3.855 1.00 93.60 10 A 1 ATOM 76 N N . ALA A 1 11 ? -2.984 0.472 2.040 1.00 95.51 11 A 1 ATOM 77 C CA . ALA A 1 11 ? -1.883 1.375 1.722 1.00 95.36 11 A 1 ATOM 78 C C . ALA A 1 11 ? -1.956 1.824 0.268 1.00 96.36 11 A 1 ATOM 79 O O . ALA A 1 11 ? -1.785 3.003 -0.035 1.00 95.30 11 A 1 ATOM 80 C CB . ALA A 1 11 ? -0.553 0.684 1.990 1.00 94.45 11 A 1 ATOM 81 N N . ILE A 1 12 ? -2.213 0.890 -0.621 1.00 95.60 12 A 1 ATOM 82 C CA . ILE A 1 12 ? -2.313 1.186 -2.048 1.00 94.89 12 A 1 ATOM 83 C C . ILE A 1 12 ? -3.493 2.112 -2.313 1.00 95.10 12 A 1 ATOM 84 O O . ILE A 1 12 ? -3.383 3.084 -3.064 1.00 94.56 12 A 1 ATOM 85 C CB . ILE A 1 12 ? -2.478 -0.107 -2.861 1.00 94.36 12 A 1 ATOM 86 C CG1 . ILE A 1 12 ? -1.239 -0.991 -2.702 1.00 91.96 12 A 1 ATOM 87 C CG2 . ILE A 1 12 ? -2.693 0.228 -4.342 1.00 91.07 12 A 1 ATOM 88 C CD1 . ILE A 1 12 ? -1.432 -2.387 -3.265 1.00 87.24 12 A 1 ATOM 89 N N . ALA A 1 13 ? -4.614 1.816 -1.703 1.00 95.47 13 A 1 ATOM 90 C CA . ALA A 1 13 ? -5.815 2.629 -1.875 1.00 94.59 13 A 1 ATOM 91 C C . ALA A 1 13 ? -5.597 4.044 -1.353 1.00 95.42 13 A 1 ATOM 92 O O . ALA A 1 13 ? -6.151 5.006 -1.886 1.00 93.72 13 A 1 ATOM 93 C CB . ALA A 1 13 ? -6.984 1.975 -1.145 1.00 93.27 13 A 1 ATOM 94 N N . GLY A 1 14 ? -4.791 4.173 -0.319 1.00 95.41 14 A 1 ATOM 95 C CA . GLY A 1 14 ? -4.508 5.478 0.266 1.00 95.16 14 A 1 ATOM 96 C C . GLY A 1 14 ? -3.515 6.285 -0.540 1.00 96.26 14 A 1 ATOM 97 O O . GLY A 1 14 ? -3.627 7.505 -0.630 1.00 95.35 14 A 1 ATOM 98 N N . LEU A 1 15 ? -2.530 5.617 -1.149 1.00 95.22 15 A 1 ATOM 99 C CA . LEU A 1 15 ? -1.515 6.305 -1.941 1.00 94.92 15 A 1 ATOM 100 C C . LEU A 1 15 ? -1.989 6.560 -3.365 1.00 95.69 15 A 1 ATOM 101 O O . LEU A 1 15 ? -1.419 7.393 -4.071 1.00 94.37 15 A 1 ATOM 102 C CB . LEU A 1 15 ? -0.226 5.480 -1.950 1.00 94.00 15 A 1 ATOM 103 C CG . LEU A 1 15 ? -0.355 4.131 -2.665 1.00 90.39 15 A 1 ATOM 104 C CD1 . LEU A 1 15 ? -0.126 4.276 -4.160 1.00 87.02 15 A 1 ATOM 105 C CD2 . LEU A 1 15 ? 0.641 3.139 -2.077 1.00 86.71 15 A 1 ATOM 106 N N . THR A 1 16 ? -3.010 5.853 -3.802 1.00 94.88 16 A 1 ATOM 107 C CA . THR A 1 16 ? -3.545 6.027 -5.156 1.00 94.42 16 A 1 ATOM 108 C C . THR A 1 16 ? -3.899 7.493 -5.425 1.00 94.95 16 A 1 ATOM 109 O O . THR A 1 16 ? -3.448 8.065 -6.423 1.00 94.24 16 A 1 ATOM 110 C CB . THR A 1 16 ? -4.789 5.149 -5.368 1.00 93.26 16 A 1 ATOM 111 O OG1 . THR A 1 16 ? -4.440 3.775 -5.216 1.00 89.18 16 A 1 ATOM 112 C CG2 . THR A 1 16 ? -5.357 5.358 -6.763 1.00 87.86 16 A 1 ATOM 113 N N . PRO A 1 17 ? -4.698 8.124 -4.567 1.00 96.35 17 A 1 ATOM 114 C CA . PRO A 1 17 ? -5.070 9.534 -4.755 1.00 95.69 17 A 1 ATOM 115 C C . PRO A 1 17 ? -3.897 10.470 -4.494 1.00 96.34 17 A 1 ATOM 116 O O . PRO A 1 17 ? -3.825 11.558 -5.059 1.00 94.97 17 A 1 ATOM 117 C CB . PRO A 1 17 ? -6.184 9.748 -3.728 1.00 94.12 17 A 1 ATOM 118 C CG . PRO A 1 17 ? -5.899 8.738 -2.665 1.00 92.79 17 A 1 ATOM 119 C CD . PRO A 1 17 ? -5.357 7.539 -3.404 1.00 95.23 17 A 1 ATOM 120 N N . PHE A 1 18 ? -2.973 10.056 -3.654 1.00 94.38 18 A 1 ATOM 121 C CA . PHE A 1 18 ? -1.797 10.860 -3.334 1.00 94.27 18 A 1 ATOM 122 C C . PHE A 1 18 ? -0.954 11.114 -4.583 1.00 95.05 18 A 1 ATOM 123 O O . PHE A 1 18 ? -0.418 12.206 -4.768 1.00 93.66 18 A 1 ATOM 124 C CB . PHE A 1 18 ? -0.947 10.138 -2.290 1.00 93.31 18 A 1 ATOM 125 C CG . PHE A 1 18 ? 0.388 10.801 -2.078 1.00 90.71 18 A 1 ATOM 126 C CD1 . PHE A 1 18 ? 0.473 12.004 -1.395 1.00 88.57 18 A 1 ATOM 127 C CD2 . PHE A 1 18 ? 1.548 10.233 -2.585 1.00 88.97 18 A 1 ATOM 128 C CE1 . PHE A 1 18 ? 1.696 12.633 -1.206 1.00 88.03 18 A 1 ATOM 129 C CE2 . PHE A 1 18 ? 2.781 10.858 -2.406 1.00 87.83 18 A 1 ATOM 130 C CZ . PHE A 1 18 ? 2.853 12.056 -1.713 1.00 87.42 18 A 1 ATOM 131 N N . VAL A 1 19 ? -0.838 10.101 -5.435 1.00 95.04 19 A 1 ATOM 132 C CA . VAL A 1 19 ? -0.058 10.227 -6.667 1.00 93.85 19 A 1 ATOM 133 C C . VAL A 1 19 ? -0.700 11.228 -7.620 1.00 93.78 19 A 1 ATOM 134 O O . VAL A 1 19 ? -0.008 11.950 -8.342 1.00 92.60 19 A 1 ATOM 135 C CB . VAL A 1 19 ? 0.080 8.869 -7.372 1.00 92.30 19 A 1 ATOM 136 C CG1 . VAL A 1 19 ? 0.889 9.012 -8.652 1.00 88.01 19 A 1 ATOM 137 C CG2 . VAL A 1 19 ? 0.734 7.863 -6.447 1.00 88.61 19 A 1 ATOM 138 N N . SER A 1 20 ? -2.009 11.278 -7.626 1.00 92.62 20 A 1 ATOM 139 C CA . SER A 1 20 ? -2.750 12.198 -8.493 1.00 90.99 20 A 1 ATOM 140 C C . SER A 1 20 ? -3.142 13.480 -7.761 1.00 90.51 20 A 1 ATOM 141 O O . SER A 1 20 ? -3.873 14.316 -8.293 1.00 88.29 20 A 1 ATOM 142 C CB . SER A 1 20 ? -4.006 11.513 -9.025 1.00 88.52 20 A 1 ATOM 143 O OG . SER A 1 20 ? -4.684 12.339 -9.949 1.00 79.14 20 A 1 ATOM 144 N N . ALA A 1 21 ? -2.655 13.651 -6.553 1.00 89.92 21 A 1 ATOM 145 C CA . ALA A 1 21 ? -2.990 14.818 -5.748 1.00 87.37 21 A 1 ATOM 146 C C . ALA A 1 21 ? -2.097 16.004 -6.110 1.00 84.39 21 A 1 ATOM 147 O O . ALA A 1 21 ? -0.904 15.792 -6.368 1.00 80.31 21 A 1 ATOM 148 C CB . ALA A 1 21 ? -2.866 14.489 -4.266 1.00 82.76 21 A 1 ATOM 149 O OXT . ALA A 1 21 ? -2.595 17.137 -6.125 1.00 76.44 21 A 1 #