# 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_spkb22677 # _entry.id spkb22677 # 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" "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 PHE 2 1 n PHE 3 1 n SER 4 1 n ARG 5 1 n ILE 6 1 n SER 7 1 n THR 8 1 n ILE 9 1 n VAL 10 1 n SER 11 1 n MET 12 1 n THR 13 1 n ALA 14 1 n LEU 15 1 n PHE 16 1 n ALA 17 1 n SER 18 1 n ALA 19 1 n LEU 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 @ 2025-07-10 16:52:59)" _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 94.57 _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 86.60 1 1 A PHE 2 2 90.82 1 2 A PHE 3 2 92.35 1 3 A SER 4 2 94.71 1 4 A ARG 5 2 89.00 1 5 A ILE 6 2 96.53 1 6 A SER 7 2 96.79 1 7 A THR 8 2 96.88 1 8 A ILE 9 2 96.57 1 9 A VAL 10 2 98.04 1 10 A SER 11 2 97.14 1 11 A MET 12 2 93.95 1 12 A THR 13 2 97.38 1 13 A ALA 14 2 98.62 1 14 A LEU 15 2 97.13 1 15 A PHE 16 2 95.34 1 16 A ALA 17 2 98.54 1 17 A SER 18 2 97.12 1 18 A ALA 19 2 98.29 1 19 A LEU 20 2 94.85 1 20 A ALA 21 2 89.54 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 PHE . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n MET . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 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 ? -0.311 4.157 -15.592 1.00 90.90 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.889 3.171 -14.654 1.00 92.20 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.499 3.526 -13.220 1.00 93.73 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.291 2.828 -12.587 1.00 91.74 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.376 1.769 -14.996 1.00 86.91 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.788 1.358 -16.393 1.00 83.84 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.142 -0.266 -16.827 1.00 81.07 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.721 -0.392 -18.505 1.00 72.41 1 A 1 ATOM 9 N N . PHE A 1 2 ? -1.048 4.620 -12.743 1.00 91.67 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -0.737 5.093 -11.398 1.00 95.20 2 A 1 ATOM 11 C C . PHE A 1 2 ? -1.507 4.292 -10.355 1.00 97.19 2 A 1 ATOM 12 O O . PHE A 1 2 ? -1.040 4.103 -9.235 1.00 96.68 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -1.100 6.571 -11.287 1.00 93.10 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -0.568 7.370 -12.447 1.00 89.99 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? 0.768 7.725 -12.488 1.00 88.58 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -1.401 7.741 -13.489 1.00 88.59 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? 1.272 8.451 -13.555 1.00 87.07 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -0.901 8.467 -14.563 1.00 85.95 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? 0.435 8.823 -14.592 1.00 85.00 2 A 1 ATOM 20 N N . PHE A 1 3 ? -2.679 3.827 -10.722 1.00 94.56 3 A 1 ATOM 21 C CA . PHE A 1 3 ? -3.514 3.058 -9.803 1.00 95.51 3 A 1 ATOM 22 C C . PHE A 1 3 ? -2.801 1.788 -9.355 1.00 97.16 3 A 1 ATOM 23 O O . PHE A 1 3 ? -2.917 1.377 -8.199 1.00 96.89 3 A 1 ATOM 24 C CB . PHE A 1 3 ? -4.838 2.705 -10.480 1.00 94.55 3 A 1 ATOM 25 C CG . PHE A 1 3 ? -5.763 1.969 -9.553 1.00 92.04 3 A 1 ATOM 26 C CD1 . PHE A 1 3 ? -6.149 2.540 -8.354 1.00 89.65 3 A 1 ATOM 27 C CD2 . PHE A 1 3 ? -6.240 0.708 -9.880 1.00 90.27 3 A 1 ATOM 28 C CE1 . PHE A 1 3 ? -6.998 1.865 -7.489 1.00 88.69 3 A 1 ATOM 29 C CE2 . PHE A 1 3 ? -7.088 0.026 -9.020 1.00 88.38 3 A 1 ATOM 30 C CZ . PHE A 1 3 ? -7.468 0.608 -7.820 1.00 88.11 3 A 1 ATOM 31 N N . SER A 1 4 ? -2.059 1.177 -10.258 1.00 96.45 4 A 1 ATOM 32 C CA . SER A 1 4 ? -1.325 -0.045 -9.929 1.00 96.71 4 A 1 ATOM 33 C C . SER A 1 4 ? -0.317 0.228 -8.815 1.00 97.51 4 A 1 ATOM 34 O O . SER A 1 4 ? -0.166 -0.566 -7.888 1.00 96.76 4 A 1 ATOM 35 C CB . SER A 1 4 ? -0.603 -0.578 -11.166 1.00 95.28 4 A 1 ATOM 36 O OG . SER A 1 4 ? 0.378 0.322 -11.604 1.00 85.57 4 A 1 ATOM 37 N N . ARG A 1 5 ? 0.364 1.366 -8.911 1.00 96.70 5 A 1 ATOM 38 C CA . ARG A 1 5 ? 1.347 1.757 -7.901 1.00 97.43 5 A 1 ATOM 39 C C . ARG A 1 5 ? 0.650 2.050 -6.582 1.00 98.06 5 A 1 ATOM 40 O O . ARG A 1 5 ? 1.105 1.631 -5.520 1.00 97.95 5 A 1 ATOM 41 C CB . ARG A 1 5 ? 2.115 2.994 -8.371 1.00 96.70 5 A 1 ATOM 42 C CG . ARG A 1 5 ? 3.038 2.677 -9.540 1.00 91.10 5 A 1 ATOM 43 C CD . ARG A 1 5 ? 4.251 1.895 -9.055 1.00 88.93 5 A 1 ATOM 44 N NE . ARG A 1 5 ? 4.981 1.264 -10.154 1.00 83.61 5 A 1 ATOM 45 C CZ . ARG A 1 5 ? 6.025 0.469 -9.986 1.00 80.90 5 A 1 ATOM 46 N NH1 . ARG A 1 5 ? 6.484 0.223 -8.772 1.00 73.49 5 A 1 ATOM 47 N NH2 . ARG A 1 5 ? 6.607 -0.091 -11.027 1.00 74.18 5 A 1 ATOM 48 N N . ILE A 1 6 ? -0.445 2.774 -6.655 1.00 98.14 6 A 1 ATOM 49 C CA . ILE A 1 6 ? -1.210 3.125 -5.463 1.00 98.16 6 A 1 ATOM 50 C C . ILE A 1 6 ? -1.721 1.861 -4.783 1.00 98.39 6 A 1 ATOM 51 O O . ILE A 1 6 ? -1.674 1.740 -3.558 1.00 98.34 6 A 1 ATOM 52 C CB . ILE A 1 6 ? -2.383 4.035 -5.833 1.00 97.84 6 A 1 ATOM 53 C CG1 . ILE A 1 6 ? -1.860 5.357 -6.400 1.00 95.43 6 A 1 ATOM 54 C CG2 . ILE A 1 6 ? -3.248 4.297 -4.600 1.00 95.23 6 A 1 ATOM 55 C CD1 . ILE A 1 6 ? -2.943 6.172 -7.070 1.00 90.67 6 A 1 ATOM 56 N N . SER A 1 7 ? -2.201 0.930 -5.575 1.00 98.54 7 A 1 ATOM 57 C CA . SER A 1 7 ? -2.723 -0.328 -5.048 1.00 98.48 7 A 1 ATOM 58 C C . SER A 1 7 ? -1.640 -1.083 -4.284 1.00 98.59 7 A 1 ATOM 59 O O . SER A 1 7 ? -1.884 -1.627 -3.208 1.00 98.34 7 A 1 ATOM 60 C CB . SER A 1 7 ? -3.248 -1.195 -6.190 1.00 98.09 7 A 1 ATOM 61 O OG . SER A 1 7 ? -3.774 -2.396 -5.680 1.00 88.71 7 A 1 ATOM 62 N N . THR A 1 8 ? -0.445 -1.099 -4.843 1.00 98.17 8 A 1 ATOM 63 C CA . THR A 1 8 ? 0.678 -1.785 -4.209 1.00 98.27 8 A 1 ATOM 64 C C . THR A 1 8 ? 1.018 -1.132 -2.874 1.00 98.52 8 A 1 ATOM 65 O O . THR A 1 8 ? 1.268 -1.816 -1.880 1.00 98.30 8 A 1 ATOM 66 C CB . THR A 1 8 ? 1.912 -1.748 -5.115 1.00 97.98 8 A 1 ATOM 67 O OG1 . THR A 1 8 ? 1.599 -2.338 -6.370 1.00 94.13 8 A 1 ATOM 68 C CG2 . THR A 1 8 ? 3.061 -2.514 -4.482 1.00 92.82 8 A 1 ATOM 69 N N . ILE A 1 9 ? 1.024 0.183 -2.857 1.00 98.28 9 A 1 ATOM 70 C CA . ILE A 1 9 ? 1.334 0.925 -1.638 1.00 98.31 9 A 1 ATOM 71 C C . ILE A 1 9 ? 0.292 0.628 -0.567 1.00 98.50 9 A 1 ATOM 72 O O . ILE A 1 9 ? 0.627 0.406 0.598 1.00 98.38 9 A 1 ATOM 73 C CB . ILE A 1 9 ? 1.385 2.430 -1.921 1.00 98.10 9 A 1 ATOM 74 C CG1 . ILE A 1 9 ? 2.532 2.738 -2.887 1.00 95.61 9 A 1 ATOM 75 C CG2 . ILE A 1 9 ? 1.583 3.205 -0.616 1.00 95.37 9 A 1 ATOM 76 C CD1 . ILE A 1 9 ? 2.450 4.136 -3.462 1.00 90.01 9 A 1 ATOM 77 N N . VAL A 1 10 ? -0.954 0.636 -0.962 1.00 98.55 10 A 1 ATOM 78 C CA . VAL A 1 10 ? -2.045 0.368 -0.028 1.00 98.55 10 A 1 ATOM 79 C C . VAL A 1 10 ? -1.914 -1.039 0.541 1.00 98.62 10 A 1 ATOM 80 O O . VAL A 1 10 ? -2.133 -1.264 1.733 1.00 98.52 10 A 1 ATOM 81 C CB . VAL A 1 10 ? -3.402 0.526 -0.726 1.00 98.31 10 A 1 ATOM 82 C CG1 . VAL A 1 10 ? -4.531 0.106 0.196 1.00 96.83 10 A 1 ATOM 83 C CG2 . VAL A 1 10 ? -3.598 1.965 -1.168 1.00 96.89 10 A 1 ATOM 84 N N . SER A 1 11 ? -1.552 -1.974 -0.307 1.00 98.60 11 A 1 ATOM 85 C CA . SER A 1 11 ? -1.391 -3.360 0.114 1.00 98.52 11 A 1 ATOM 86 C C . SER A 1 11 ? -0.292 -3.483 1.163 1.00 98.63 11 A 1 ATOM 87 O O . SER A 1 11 ? -0.449 -4.174 2.170 1.00 98.39 11 A 1 ATOM 88 C CB . SER A 1 11 ? -1.054 -4.239 -1.087 1.00 98.12 11 A 1 ATOM 89 O OG . SER A 1 11 ? -0.976 -5.589 -0.690 1.00 90.58 11 A 1 ATOM 90 N N . MET A 1 12 ? 0.814 -2.806 0.918 1.00 98.20 12 A 1 ATOM 91 C CA . MET A 1 12 ? 1.934 -2.831 1.858 1.00 98.19 12 A 1 ATOM 92 C C . MET A 1 12 ? 1.528 -2.229 3.195 1.00 98.46 12 A 1 ATOM 93 O O . MET A 1 12 ? 1.845 -2.770 4.254 1.00 98.26 12 A 1 ATOM 94 C CB . MET A 1 12 ? 3.110 -2.046 1.283 1.00 97.79 12 A 1 ATOM 95 C CG . MET A 1 12 ? 3.789 -2.796 0.153 1.00 94.13 12 A 1 ATOM 96 S SD . MET A 1 12 ? 5.179 -1.886 -0.520 1.00 87.42 12 A 1 ATOM 97 C CE . MET A 1 12 ? 5.853 -3.136 -1.606 1.00 79.15 12 A 1 ATOM 98 N N . THR A 1 13 ? 0.835 -1.112 3.129 1.00 98.54 13 A 1 ATOM 99 C CA . THR A 1 13 ? 0.386 -0.432 4.341 1.00 98.50 13 A 1 ATOM 100 C C . THR A 1 13 ? -0.578 -1.322 5.116 1.00 98.63 13 A 1 ATOM 101 O O . THR A 1 13 ? -0.524 -1.388 6.346 1.00 98.42 13 A 1 ATOM 102 C CB . THR A 1 13 ? -0.311 0.882 3.990 1.00 98.07 13 A 1 ATOM 103 O OG1 . THR A 1 13 ? 0.567 1.691 3.216 1.00 94.91 13 A 1 ATOM 104 C CG2 . THR A 1 13 ? -0.688 1.635 5.256 1.00 94.57 13 A 1 ATOM 105 N N . ALA A 1 14 ? -1.453 -1.996 4.405 1.00 98.70 14 A 1 ATOM 106 C CA . ALA A 1 14 ? -2.429 -2.880 5.031 1.00 98.67 14 A 1 ATOM 107 C C . ALA A 1 14 ? -1.728 -4.019 5.768 1.00 98.75 14 A 1 ATOM 108 O O . ALA A 1 14 ? -2.109 -4.374 6.885 1.00 98.53 14 A 1 ATOM 109 C CB . ALA A 1 14 ? -3.369 -3.441 3.975 1.00 98.46 14 A 1 ATOM 110 N N . LEU A 1 15 ? -0.708 -4.579 5.152 1.00 98.65 15 A 1 ATOM 111 C CA . LEU A 1 15 ? 0.048 -5.667 5.765 1.00 98.58 15 A 1 ATOM 112 C C . LEU A 1 15 ? 0.740 -5.190 7.032 1.00 98.65 15 A 1 ATOM 113 O O . LEU A 1 15 ? 0.755 -5.890 8.047 1.00 98.46 15 A 1 ATOM 114 C CB . LEU A 1 15 ? 1.084 -6.188 4.770 1.00 98.39 15 A 1 ATOM 115 C CG . LEU A 1 15 ? 0.477 -7.029 3.654 1.00 96.31 15 A 1 ATOM 116 C CD1 . LEU A 1 15 ? 1.479 -7.211 2.521 1.00 94.11 15 A 1 ATOM 117 C CD2 . LEU A 1 15 ? 0.059 -8.392 4.192 1.00 93.91 15 A 1 ATOM 118 N N . PHE A 1 16 ? 1.311 -4.000 6.962 1.00 98.52 16 A 1 ATOM 119 C CA . PHE A 1 16 ? 2.001 -3.420 8.107 1.00 98.39 16 A 1 ATOM 120 C C . PHE A 1 16 ? 1.023 -3.205 9.251 1.00 98.53 16 A 1 ATOM 121 O O . PHE A 1 16 ? 1.306 -3.554 10.399 1.00 98.28 16 A 1 ATOM 122 C CB . PHE A 1 16 ? 2.641 -2.091 7.713 1.00 97.94 16 A 1 ATOM 123 C CG . PHE A 1 16 ? 3.725 -1.677 8.674 1.00 95.10 16 A 1 ATOM 124 C CD1 . PHE A 1 16 ? 3.410 -1.224 9.940 1.00 92.92 16 A 1 ATOM 125 C CD2 . PHE A 1 16 ? 5.057 -1.752 8.307 1.00 93.63 16 A 1 ATOM 126 C CE1 . PHE A 1 16 ? 4.404 -0.853 10.836 1.00 92.29 16 A 1 ATOM 127 C CE2 . PHE A 1 16 ? 6.057 -1.377 9.195 1.00 91.67 16 A 1 ATOM 128 C CZ . PHE A 1 16 ? 5.729 -0.929 10.462 1.00 91.42 16 A 1 ATOM 129 N N . ALA A 1 17 ? -0.115 -2.628 8.939 1.00 98.69 17 A 1 ATOM 130 C CA . ALA A 1 17 ? -1.133 -2.362 9.949 1.00 98.61 17 A 1 ATOM 131 C C . ALA A 1 17 ? -1.667 -3.664 10.532 1.00 98.69 17 A 1 ATOM 132 O O . ALA A 1 17 ? -1.901 -3.762 11.737 1.00 98.43 17 A 1 ATOM 133 C CB . ALA A 1 17 ? -2.266 -1.557 9.337 1.00 98.27 17 A 1 ATOM 134 N N . SER A 1 18 ? -1.850 -4.658 9.693 1.00 98.74 18 A 1 ATOM 135 C CA . SER A 1 18 ? -2.358 -5.953 10.128 1.00 98.65 18 A 1 ATOM 136 C C . SER A 1 18 ? -1.380 -6.629 11.077 1.00 98.68 18 A 1 ATOM 137 O O . SER A 1 18 ? -1.779 -7.268 12.049 1.00 98.05 18 A 1 ATOM 138 C CB . SER A 1 18 ? -2.599 -6.853 8.924 1.00 98.22 18 A 1 ATOM 139 O OG . SER A 1 18 ? -3.166 -8.070 9.342 1.00 90.35 18 A 1 ATOM 140 N N . ALA A 1 19 ? -0.096 -6.485 10.791 1.00 98.51 19 A 1 ATOM 141 C CA . ALA A 1 19 ? 0.943 -7.079 11.627 1.00 98.40 19 A 1 ATOM 142 C C . ALA A 1 19 ? 0.931 -6.474 13.025 1.00 98.49 19 A 1 ATOM 143 O O . ALA A 1 19 ? 1.129 -7.175 14.019 1.00 98.02 19 A 1 ATOM 144 C CB . ALA A 1 19 ? 2.306 -6.869 10.983 1.00 98.05 19 A 1 ATOM 145 N N . LEU A 1 20 ? 0.713 -5.174 13.092 1.00 98.05 20 A 1 ATOM 146 C CA . LEU A 1 20 ? 0.681 -4.472 14.373 1.00 97.66 20 A 1 ATOM 147 C C . LEU A 1 20 ? -0.618 -4.745 15.112 1.00 97.59 20 A 1 ATOM 148 O O . LEU A 1 20 ? -0.624 -4.966 16.323 1.00 96.40 20 A 1 ATOM 149 C CB . LEU A 1 20 ? 0.842 -2.970 14.140 1.00 96.51 20 A 1 ATOM 150 C CG . LEU A 1 20 ? 2.219 -2.582 13.606 1.00 93.88 20 A 1 ATOM 151 C CD1 . LEU A 1 20 ? 2.216 -1.134 13.144 1.00 90.84 20 A 1 ATOM 152 C CD2 . LEU A 1 20 ? 3.275 -2.782 14.685 1.00 87.84 20 A 1 ATOM 153 N N . ALA A 1 21 ? -1.708 -4.704 14.384 1.00 94.64 21 A 1 ATOM 154 C CA . ALA A 1 21 ? -3.031 -4.922 14.959 1.00 92.87 21 A 1 ATOM 155 C C . ALA A 1 21 ? -3.498 -6.366 14.744 1.00 91.59 21 A 1 ATOM 156 O O . ALA A 1 21 ? -2.659 -7.274 14.686 1.00 87.84 21 A 1 ATOM 157 C CB . ALA A 1 21 ? -4.014 -3.940 14.345 1.00 88.73 21 A 1 ATOM 158 O OXT . ALA A 1 21 ? -4.710 -6.609 14.633 1.00 81.57 21 A 1 #