# 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_spkb12501 # _entry.id spkb12501 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)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 PHE 2 1 n HIS 3 1 n SER 4 1 n ARG 5 1 n ALA 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n SER 10 1 n TRP 11 1 n LEU 12 1 n VAL 13 1 n GLY 14 1 n PHE 15 1 n THR 16 1 n ALA 17 1 n ALA 18 # _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 03:28:45)" _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 91.44 _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 79.17 1 1 A PHE 2 2 79.16 1 2 A HIS 3 2 84.19 1 3 A SER 4 2 93.38 1 4 A ARG 5 2 87.16 1 5 A ALA 6 2 96.40 1 6 A LEU 7 2 94.84 1 7 A LEU 8 2 94.98 1 8 A LEU 9 2 95.42 1 9 A SER 10 2 96.45 1 10 A TRP 11 2 94.25 1 11 A LEU 12 2 95.93 1 12 A VAL 13 2 97.22 1 13 A GLY 14 2 97.82 1 14 A PHE 15 2 93.75 1 15 A THR 16 2 94.57 1 16 A ALA 17 2 95.83 1 17 A ALA 18 2 89.59 1 18 # _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 PHE . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n TRP . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -6.918 16.229 10.438 1.00 81.35 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.391 15.924 9.094 1.00 86.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.008 14.452 8.989 1.00 88.89 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.279 13.938 9.828 1.00 86.13 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.170 16.785 8.799 1.00 80.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.098 16.666 9.868 1.00 74.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? -2.688 17.690 9.476 1.00 71.61 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.368 18.407 11.065 1.00 63.08 1 A 1 ATOM 9 N N . PHE A 1 2 ? -6.496 13.786 7.960 1.00 83.89 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -6.211 12.370 7.754 1.00 86.63 2 A 1 ATOM 11 C C . PHE A 1 2 ? -5.706 12.133 6.339 1.00 90.02 2 A 1 ATOM 12 O O . PHE A 1 2 ? -6.153 12.778 5.393 1.00 87.49 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -7.475 11.557 8.001 1.00 82.25 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -8.040 11.768 9.374 1.00 78.13 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -7.471 11.143 10.465 1.00 75.81 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -9.136 12.594 9.565 1.00 74.36 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -7.991 11.332 11.732 1.00 71.30 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -9.659 12.788 10.832 1.00 71.10 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -9.083 12.157 11.917 1.00 69.83 2 A 1 ATOM 20 N N . HIS A 1 3 ? -4.769 11.208 6.208 1.00 90.24 3 A 1 ATOM 21 C CA . HIS A 1 3 ? -4.199 10.881 4.905 1.00 91.34 3 A 1 ATOM 22 C C . HIS A 1 3 ? -4.521 9.440 4.528 1.00 92.94 3 A 1 ATOM 23 O O . HIS A 1 3 ? -4.879 8.633 5.381 1.00 91.16 3 A 1 ATOM 24 C CB . HIS A 1 3 ? -2.682 11.076 4.943 1.00 88.73 3 A 1 ATOM 25 C CG . HIS A 1 3 ? -2.256 12.325 4.247 1.00 83.97 3 A 1 ATOM 26 N ND1 . HIS A 1 3 ? -1.654 13.370 4.897 1.00 75.52 3 A 1 ATOM 27 C CD2 . HIS A 1 3 ? -2.343 12.691 2.953 1.00 74.06 3 A 1 ATOM 28 C CE1 . HIS A 1 3 ? -1.389 14.326 4.014 1.00 76.52 3 A 1 ATOM 29 N NE2 . HIS A 1 3 ? -1.794 13.939 2.825 1.00 77.38 3 A 1 ATOM 30 N N . SER A 1 4 ? -4.372 9.124 3.252 1.00 94.76 4 A 1 ATOM 31 C CA . SER A 1 4 ? -4.645 7.780 2.759 1.00 95.54 4 A 1 ATOM 32 C C . SER A 1 4 ? -3.428 6.883 2.975 1.00 96.36 4 A 1 ATOM 33 O O . SER A 1 4 ? -2.915 6.268 2.040 1.00 95.05 4 A 1 ATOM 34 C CB . SER A 1 4 ? -5.007 7.837 1.278 1.00 93.84 4 A 1 ATOM 35 O OG . SER A 1 4 ? -6.162 8.617 1.078 1.00 84.74 4 A 1 ATOM 36 N N . ARG A 1 5 ? -2.971 6.834 4.225 1.00 94.02 5 A 1 ATOM 37 C CA . ARG A 1 5 ? -1.799 6.029 4.583 1.00 94.97 5 A 1 ATOM 38 C C . ARG A 1 5 ? -2.023 4.562 4.249 1.00 96.27 5 A 1 ATOM 39 O O . ARG A 1 5 ? -1.086 3.851 3.901 1.00 95.93 5 A 1 ATOM 40 C CB . ARG A 1 5 ? -1.490 6.181 6.071 1.00 93.75 5 A 1 ATOM 41 C CG . ARG A 1 5 ? -0.213 6.941 6.306 1.00 89.15 5 A 1 ATOM 42 C CD . ARG A 1 5 ? -0.005 7.227 7.771 1.00 86.30 5 A 1 ATOM 43 N NE . ARG A 1 5 ? 0.711 6.132 8.432 1.00 82.31 5 A 1 ATOM 44 C CZ . ARG A 1 5 ? 0.120 5.157 9.102 1.00 79.12 5 A 1 ATOM 45 N NH1 . ARG A 1 5 ? -1.198 5.096 9.196 1.00 74.11 5 A 1 ATOM 46 N NH2 . ARG A 1 5 ? 0.850 4.224 9.681 1.00 72.84 5 A 1 ATOM 47 N N . ALA A 1 6 ? -3.257 4.116 4.362 1.00 95.94 6 A 1 ATOM 48 C CA . ALA A 1 6 ? -3.605 2.728 4.066 1.00 96.36 6 A 1 ATOM 49 C C . ALA A 1 6 ? -3.217 2.364 2.636 1.00 97.04 6 A 1 ATOM 50 O O . ALA A 1 6 ? -2.731 1.266 2.378 1.00 96.80 6 A 1 ATOM 51 C CB . ALA A 1 6 ? -5.099 2.525 4.272 1.00 95.88 6 A 1 ATOM 52 N N . LEU A 1 7 ? -3.426 3.292 1.725 1.00 96.40 7 A 1 ATOM 53 C CA . LEU A 1 7 ? -3.089 3.066 0.321 1.00 96.48 7 A 1 ATOM 54 C C . LEU A 1 7 ? -1.583 2.927 0.147 1.00 96.99 7 A 1 ATOM 55 O O . LEU A 1 7 ? -1.112 2.064 -0.594 1.00 96.92 7 A 1 ATOM 56 C CB . LEU A 1 7 ? -3.608 4.230 -0.523 1.00 96.43 7 A 1 ATOM 57 C CG . LEU A 1 7 ? -5.124 4.227 -0.699 1.00 93.47 7 A 1 ATOM 58 C CD1 . LEU A 1 7 ? -5.615 5.589 -1.153 1.00 91.31 7 A 1 ATOM 59 C CD2 . LEU A 1 7 ? -5.520 3.165 -1.722 1.00 90.73 7 A 1 ATOM 60 N N . LEU A 1 8 ? -0.843 3.780 0.839 1.00 96.53 8 A 1 ATOM 61 C CA . LEU A 1 8 ? 0.617 3.747 0.770 1.00 96.61 8 A 1 ATOM 62 C C . LEU A 1 8 ? 1.151 2.443 1.349 1.00 97.19 8 A 1 ATOM 63 O O . LEU A 1 8 ? 2.075 1.840 0.806 1.00 97.33 8 A 1 ATOM 64 C CB . LEU A 1 8 ? 1.187 4.944 1.535 1.00 96.69 8 A 1 ATOM 65 C CG . LEU A 1 8 ? 2.176 5.764 0.720 1.00 92.96 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? 2.149 7.223 1.163 1.00 91.38 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? 3.574 5.202 0.877 1.00 91.15 8 A 1 ATOM 68 N N . LEU A 1 9 ? 0.560 2.006 2.441 1.00 97.02 9 A 1 ATOM 69 C CA . LEU A 1 9 ? 0.962 0.753 3.080 1.00 96.99 9 A 1 ATOM 70 C C . LEU A 1 9 ? 0.661 -0.429 2.173 1.00 97.43 9 A 1 ATOM 71 O O . LEU A 1 9 ? 1.470 -1.349 2.059 1.00 97.38 9 A 1 ATOM 72 C CB . LEU A 1 9 ? 0.222 0.605 4.409 1.00 96.81 9 A 1 ATOM 73 C CG . LEU A 1 9 ? 1.024 1.132 5.598 1.00 93.76 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? 0.092 1.554 6.728 1.00 92.02 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? 1.978 0.055 6.088 1.00 91.93 9 A 1 ATOM 76 N N . SER A 1 10 ? -0.489 -0.405 1.536 1.00 97.39 10 A 1 ATOM 77 C CA . SER A 1 10 ? -0.886 -1.474 0.622 1.00 97.43 10 A 1 ATOM 78 C C . SER A 1 10 ? 0.098 -1.576 -0.538 1.00 97.81 10 A 1 ATOM 79 O O . SER A 1 10 ? 0.445 -2.671 -0.973 1.00 97.38 10 A 1 ATOM 80 C CB . SER A 1 10 ? -2.287 -1.205 0.088 1.00 96.81 10 A 1 ATOM 81 O OG . SER A 1 10 ? -3.236 -1.284 1.127 1.00 91.91 10 A 1 ATOM 82 N N . TRP A 1 11 ? 0.546 -0.431 -1.011 1.00 96.87 11 A 1 ATOM 83 C CA . TRP A 1 11 ? 1.501 -0.387 -2.118 1.00 96.88 11 A 1 ATOM 84 C C . TRP A 1 11 ? 2.830 -0.995 -1.684 1.00 97.56 11 A 1 ATOM 85 O O . TRP A 1 11 ? 3.414 -1.807 -2.402 1.00 97.22 11 A 1 ATOM 86 C CB . TRP A 1 11 ? 1.711 1.061 -2.549 1.00 96.75 11 A 1 ATOM 87 C CG . TRP A 1 11 ? 2.200 1.164 -3.952 1.00 95.66 11 A 1 ATOM 88 C CD1 . TRP A 1 11 ? 1.427 1.207 -5.074 1.00 92.38 11 A 1 ATOM 89 C CD2 . TRP A 1 11 ? 3.562 1.238 -4.403 1.00 94.40 11 A 1 ATOM 90 N NE1 . TRP A 1 11 ? 2.228 1.299 -6.188 1.00 91.69 11 A 1 ATOM 91 C CE2 . TRP A 1 11 ? 3.545 1.320 -5.815 1.00 93.78 11 A 1 ATOM 92 C CE3 . TRP A 1 11 ? 4.800 1.240 -3.751 1.00 93.12 11 A 1 ATOM 93 C CZ2 . TRP A 1 11 ? 4.715 1.401 -6.564 1.00 93.37 11 A 1 ATOM 94 C CZ3 . TRP A 1 11 ? 5.968 1.324 -4.499 1.00 89.47 11 A 1 ATOM 95 C CH2 . TRP A 1 11 ? 5.918 1.401 -5.894 1.00 90.30 11 A 1 ATOM 96 N N . LEU A 1 12 ? 3.295 -0.616 -0.515 1.00 97.31 12 A 1 ATOM 97 C CA . LEU A 1 12 ? 4.550 -1.139 0.021 1.00 97.27 12 A 1 ATOM 98 C C . LEU A 1 12 ? 4.453 -2.634 0.289 1.00 97.71 12 A 1 ATOM 99 O O . LEU A 1 12 ? 5.385 -3.381 -0.002 1.00 97.57 12 A 1 ATOM 100 C CB . LEU A 1 12 ? 4.898 -0.401 1.314 1.00 97.16 12 A 1 ATOM 101 C CG . LEU A 1 12 ? 5.895 0.736 1.108 1.00 95.11 12 A 1 ATOM 102 C CD1 . LEU A 1 12 ? 5.770 1.766 2.220 1.00 92.65 12 A 1 ATOM 103 C CD2 . LEU A 1 12 ? 7.308 0.175 1.071 1.00 92.65 12 A 1 ATOM 104 N N . VAL A 1 13 ? 3.340 -3.062 0.847 1.00 97.99 13 A 1 ATOM 105 C CA . VAL A 1 13 ? 3.121 -4.479 1.152 1.00 97.90 13 A 1 ATOM 106 C C . VAL A 1 13 ? 3.159 -5.303 -0.129 1.00 98.08 13 A 1 ATOM 107 O O . VAL A 1 13 ? 3.781 -6.365 -0.175 1.00 97.68 13 A 1 ATOM 108 C CB . VAL A 1 13 ? 1.780 -4.667 1.878 1.00 97.31 13 A 1 ATOM 109 C CG1 . VAL A 1 13 ? 1.449 -6.143 2.025 1.00 95.60 13 A 1 ATOM 110 C CG2 . VAL A 1 13 ? 1.824 -4.015 3.248 1.00 95.95 13 A 1 ATOM 111 N N . GLY A 1 14 ? 2.494 -4.816 -1.150 1.00 97.87 14 A 1 ATOM 112 C CA . GLY A 1 14 ? 2.464 -5.520 -2.430 1.00 97.77 14 A 1 ATOM 113 C C . GLY A 1 14 ? 3.843 -5.617 -3.052 1.00 98.04 14 A 1 ATOM 114 O O . GLY A 1 14 ? 4.222 -6.651 -3.597 1.00 97.61 14 A 1 ATOM 115 N N . PHE A 1 15 ? 4.596 -4.542 -2.955 1.00 97.34 15 A 1 ATOM 116 C CA . PHE A 1 15 ? 5.950 -4.498 -3.499 1.00 97.00 15 A 1 ATOM 117 C C . PHE A 1 15 ? 6.880 -5.413 -2.708 1.00 97.52 15 A 1 ATOM 118 O O . PHE A 1 15 ? 7.721 -6.101 -3.285 1.00 96.60 15 A 1 ATOM 119 C CB . PHE A 1 15 ? 6.472 -3.062 -3.449 1.00 96.08 15 A 1 ATOM 120 C CG . PHE A 1 15 ? 7.699 -2.870 -4.297 1.00 93.87 15 A 1 ATOM 121 C CD1 . PHE A 1 15 ? 7.593 -2.798 -5.677 1.00 91.20 15 A 1 ATOM 122 C CD2 . PHE A 1 15 ? 8.949 -2.766 -3.710 1.00 91.43 15 A 1 ATOM 123 C CE1 . PHE A 1 15 ? 8.720 -2.627 -6.461 1.00 90.06 15 A 1 ATOM 124 C CE2 . PHE A 1 15 ? 10.084 -2.596 -4.492 1.00 89.78 15 A 1 ATOM 125 C CZ . PHE A 1 15 ? 9.968 -2.529 -5.869 1.00 90.33 15 A 1 ATOM 126 N N . THR A 1 16 ? 6.737 -5.413 -1.401 1.00 96.83 16 A 1 ATOM 127 C CA . THR A 1 16 ? 7.566 -6.251 -0.527 1.00 96.58 16 A 1 ATOM 128 C C . THR A 1 16 ? 7.211 -7.726 -0.688 1.00 96.69 16 A 1 ATOM 129 O O . THR A 1 16 ? 8.070 -8.595 -0.524 1.00 95.30 16 A 1 ATOM 130 C CB . THR A 1 16 ? 7.375 -5.837 0.934 1.00 95.21 16 A 1 ATOM 131 O OG1 . THR A 1 16 ? 7.548 -4.430 1.054 1.00 91.28 16 A 1 ATOM 132 C CG2 . THR A 1 16 ? 8.386 -6.524 1.833 1.00 90.08 16 A 1 ATOM 133 N N . ALA A 1 17 ? 5.963 -8.008 -0.989 1.00 96.60 17 A 1 ATOM 134 C CA . ALA A 1 17 ? 5.493 -9.384 -1.154 1.00 96.35 17 A 1 ATOM 135 C C . ALA A 1 17 ? 6.132 -10.053 -2.367 1.00 96.56 17 A 1 ATOM 136 O O . ALA A 1 17 ? 6.184 -11.279 -2.450 1.00 94.88 17 A 1 ATOM 137 C CB . ALA A 1 17 ? 3.974 -9.404 -1.288 1.00 94.74 17 A 1 ATOM 138 N N . ALA A 1 18 ? 6.619 -9.252 -3.319 1.00 94.92 18 A 1 ATOM 139 C CA . ALA A 1 18 ? 7.243 -9.768 -4.530 1.00 93.58 18 A 1 ATOM 140 C C . ALA A 1 18 ? 8.442 -10.656 -4.208 1.00 91.81 18 A 1 ATOM 141 O O . ALA A 1 18 ? 9.118 -10.424 -3.195 1.00 86.67 18 A 1 ATOM 142 C CB . ALA A 1 18 ? 7.664 -8.618 -5.431 1.00 89.64 18 A 1 ATOM 143 O OXT . ALA A 1 18 ? 8.716 -11.591 -4.985 1.00 80.92 18 A 1 #