# 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_spkb34901 # _entry.id spkb34901 # 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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([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 SER 3 1 n PHE 4 1 n ARG 5 1 n LYS 6 1 n PHE 7 1 n LEU 8 1 n ALA 9 1 n PHE 10 1 n MET 11 1 n LEU 12 1 n ILE 13 1 n VAL 14 1 n ILE 15 1 n ALA 16 1 n LEU 17 1 n MET 18 1 n ALA 19 1 n SER 20 1 n PHE 21 1 n SER 22 1 n SER 23 1 n ALA 24 # _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 @ 2025-07-12 23:39:40)" _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 91.62 _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 84.04 1 1 A PHE 2 2 85.30 1 2 A SER 3 2 93.97 1 3 A PHE 4 2 93.33 1 4 A ARG 5 2 87.02 1 5 A LYS 6 2 91.85 1 6 A PHE 7 2 96.01 1 7 A LEU 8 2 95.13 1 8 A ALA 9 2 97.83 1 9 A PHE 10 2 95.57 1 10 A MET 11 2 91.98 1 11 A LEU 12 2 95.15 1 12 A ILE 13 2 96.82 1 13 A VAL 14 2 97.24 1 14 A ILE 15 2 96.14 1 15 A ALA 16 2 97.65 1 16 A LEU 17 2 93.96 1 17 A MET 18 2 89.44 1 18 A ALA 19 2 96.07 1 19 A SER 20 2 93.23 1 20 A PHE 21 2 87.96 1 21 A SER 22 2 86.19 1 22 A SER 23 2 84.45 1 23 A ALA 24 2 74.92 1 24 # _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 SER . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n MET . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n ALA . 24 A 24 # _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 ? 2.772 6.188 14.189 1.00 90.60 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.421 5.286 15.302 1.00 92.49 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.217 3.858 14.792 1.00 93.13 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.369 3.589 13.607 1.00 89.59 1 A 1 ATOM 5 C CB . MET A 1 1 ? 1.144 5.777 15.964 1.00 86.63 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.247 7.229 16.441 1.00 79.02 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.618 7.480 17.559 1.00 73.66 1 A 1 ATOM 8 C CE . MET A 1 1 ? 2.369 9.196 18.000 1.00 67.20 1 A 1 ATOM 9 N N . PHE A 1 2 ? 1.847 2.953 15.709 1.00 91.15 2 A 1 ATOM 10 C CA . PHE A 1 2 ? 1.635 1.553 15.344 1.00 93.37 2 A 1 ATOM 11 C C . PHE A 1 2 ? 0.422 1.393 14.430 1.00 95.09 2 A 1 ATOM 12 O O . PHE A 1 2 ? 0.513 0.770 13.369 1.00 93.53 2 A 1 ATOM 13 C CB . PHE A 1 2 ? 1.446 0.723 16.613 1.00 90.42 2 A 1 ATOM 14 C CG . PHE A 1 2 ? 1.262 -0.741 16.317 1.00 84.92 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? 2.347 -1.528 15.975 1.00 82.32 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? 0.007 -1.315 16.386 1.00 81.20 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? 2.185 -2.876 15.701 1.00 75.28 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -0.169 -2.667 16.108 1.00 76.98 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? 0.926 -3.445 15.767 1.00 74.00 2 A 1 ATOM 20 N N . SER A 1 3 ? -0.700 1.943 14.826 1.00 96.04 3 A 1 ATOM 21 C CA . SER A 1 3 ? -1.925 1.852 14.028 1.00 96.87 3 A 1 ATOM 22 C C . SER A 1 3 ? -1.754 2.533 12.675 1.00 97.28 3 A 1 ATOM 23 O O . SER A 1 3 ? -2.253 2.050 11.656 1.00 95.92 3 A 1 ATOM 24 C CB . SER A 1 3 ? -3.089 2.492 14.781 1.00 94.64 3 A 1 ATOM 25 O OG . SER A 1 3 ? -3.339 1.808 15.985 1.00 83.07 3 A 1 ATOM 26 N N . PHE A 1 4 ? -1.045 3.643 12.663 1.00 96.89 4 A 1 ATOM 27 C CA . PHE A 1 4 ? -0.796 4.377 11.425 1.00 97.09 4 A 1 ATOM 28 C C . PHE A 1 4 ? 0.045 3.545 10.466 1.00 97.39 4 A 1 ATOM 29 O O . PHE A 1 4 ? -0.176 3.565 9.254 1.00 96.74 4 A 1 ATOM 30 C CB . PHE A 1 4 ? -0.091 5.695 11.741 1.00 96.55 4 A 1 ATOM 31 C CG . PHE A 1 4 ? -0.208 6.678 10.610 1.00 94.34 4 A 1 ATOM 32 C CD1 . PHE A 1 4 ? -1.415 7.300 10.344 1.00 91.15 4 A 1 ATOM 33 C CD2 . PHE A 1 4 ? 0.890 6.970 9.822 1.00 90.66 4 A 1 ATOM 34 C CE1 . PHE A 1 4 ? -1.527 8.202 9.302 1.00 88.63 4 A 1 ATOM 35 C CE2 . PHE A 1 4 ? 0.786 7.874 8.773 1.00 89.16 4 A 1 ATOM 36 C CZ . PHE A 1 4 ? -0.426 8.489 8.513 1.00 88.06 4 A 1 ATOM 37 N N . ARG A 1 5 ? 1.018 2.819 11.000 1.00 97.09 5 A 1 ATOM 38 C CA . ARG A 1 5 ? 1.883 1.966 10.171 1.00 97.34 5 A 1 ATOM 39 C C . ARG A 1 5 ? 1.059 0.895 9.469 1.00 97.57 5 A 1 ATOM 40 O O . ARG A 1 5 ? 1.255 0.630 8.285 1.00 97.00 5 A 1 ATOM 41 C CB . ARG A 1 5 ? 2.959 1.308 11.038 1.00 96.85 5 A 1 ATOM 42 C CG . ARG A 1 5 ? 4.042 2.288 11.472 1.00 91.46 5 A 1 ATOM 43 C CD . ARG A 1 5 ? 4.867 2.746 10.287 1.00 86.84 5 A 1 ATOM 44 N NE . ARG A 1 5 ? 5.546 1.629 9.627 1.00 79.16 5 A 1 ATOM 45 C CZ . ARG A 1 5 ? 6.702 1.137 10.027 1.00 75.93 5 A 1 ATOM 46 N NH1 . ARG A 1 5 ? 7.330 1.635 11.071 1.00 69.58 5 A 1 ATOM 47 N NH2 . ARG A 1 5 ? 7.246 0.128 9.375 1.00 68.38 5 A 1 ATOM 48 N N . LYS A 1 6 ? 0.138 0.281 10.195 1.00 97.78 6 A 1 ATOM 49 C CA . LYS A 1 6 ? -0.712 -0.762 9.623 1.00 97.85 6 A 1 ATOM 50 C C . LYS A 1 6 ? -1.591 -0.185 8.521 1.00 97.91 6 A 1 ATOM 51 O O . LYS A 1 6 ? -1.738 -0.786 7.459 1.00 97.84 6 A 1 ATOM 52 C CB . LYS A 1 6 ? -1.576 -1.378 10.720 1.00 97.67 6 A 1 ATOM 53 C CG . LYS A 1 6 ? -2.209 -2.686 10.290 1.00 93.34 6 A 1 ATOM 54 C CD . LYS A 1 6 ? -1.204 -3.820 10.315 1.00 87.22 6 A 1 ATOM 55 C CE . LYS A 1 6 ? -1.831 -5.115 9.854 1.00 82.71 6 A 1 ATOM 56 N NZ . LYS A 1 6 ? -0.857 -6.232 9.901 1.00 74.33 6 A 1 ATOM 57 N N . PHE A 1 7 ? -2.161 0.969 8.770 1.00 97.43 7 A 1 ATOM 58 C CA . PHE A 1 7 ? -3.012 1.637 7.788 1.00 97.54 7 A 1 ATOM 59 C C . PHE A 1 7 ? -2.212 1.992 6.540 1.00 97.78 7 A 1 ATOM 60 O O . PHE A 1 7 ? -2.677 1.793 5.416 1.00 97.41 7 A 1 ATOM 61 C CB . PHE A 1 7 ? -3.609 2.901 8.409 1.00 97.43 7 A 1 ATOM 62 C CG . PHE A 1 7 ? -4.554 3.601 7.466 1.00 96.80 7 A 1 ATOM 63 C CD1 . PHE A 1 7 ? -5.832 3.112 7.262 1.00 94.86 7 A 1 ATOM 64 C CD2 . PHE A 1 7 ? -4.145 4.739 6.787 1.00 95.28 7 A 1 ATOM 65 C CE1 . PHE A 1 7 ? -6.698 3.748 6.391 1.00 93.54 7 A 1 ATOM 66 C CE2 . PHE A 1 7 ? -5.010 5.379 5.908 1.00 94.11 7 A 1 ATOM 67 C CZ . PHE A 1 7 ? -6.284 4.882 5.714 1.00 93.88 7 A 1 ATOM 68 N N . LEU A 1 8 ? -1.020 2.512 6.735 1.00 97.53 8 A 1 ATOM 69 C CA . LEU A 1 8 ? -0.152 2.881 5.622 1.00 97.54 8 A 1 ATOM 70 C C . LEU A 1 8 ? 0.230 1.652 4.806 1.00 97.76 8 A 1 ATOM 71 O O . LEU A 1 8 ? 0.259 1.697 3.578 1.00 97.89 8 A 1 ATOM 72 C CB . LEU A 1 8 ? 1.107 3.565 6.157 1.00 97.50 8 A 1 ATOM 73 C CG . LEU A 1 8 ? 1.718 4.523 5.140 1.00 93.13 8 A 1 ATOM 74 C CD1 . LEU A 1 8 ? 1.003 5.866 5.186 1.00 89.58 8 A 1 ATOM 75 C CD2 . LEU A 1 8 ? 3.202 4.711 5.408 1.00 90.10 8 A 1 ATOM 76 N N . ALA A 1 9 ? 0.523 0.565 5.488 1.00 97.90 9 A 1 ATOM 77 C CA . ALA A 1 9 ? 0.904 -0.677 4.818 1.00 97.93 9 A 1 ATOM 78 C C . ALA A 1 9 ? -0.230 -1.182 3.930 1.00 98.04 9 A 1 ATOM 79 O O . ALA A 1 9 ? -0.003 -1.596 2.794 1.00 97.65 9 A 1 ATOM 80 C CB . ALA A 1 9 ? 1.267 -1.732 5.858 1.00 97.62 9 A 1 ATOM 81 N N . PHE A 1 10 ? -1.445 -1.145 4.451 1.00 97.61 10 A 1 ATOM 82 C CA . PHE A 1 10 ? -2.612 -1.586 3.688 1.00 97.62 10 A 1 ATOM 83 C C . PHE A 1 10 ? -2.816 -0.698 2.466 1.00 97.83 10 A 1 ATOM 84 O O . PHE A 1 10 ? -3.113 -1.184 1.374 1.00 97.50 10 A 1 ATOM 85 C CB . PHE A 1 10 ? -3.848 -1.547 4.584 1.00 97.35 10 A 1 ATOM 86 C CG . PHE A 1 10 ? -5.034 -2.207 3.931 1.00 96.48 10 A 1 ATOM 87 C CD1 . PHE A 1 10 ? -5.118 -3.589 3.865 1.00 94.01 10 A 1 ATOM 88 C CD2 . PHE A 1 10 ? -6.045 -1.436 3.384 1.00 94.47 10 A 1 ATOM 89 C CE1 . PHE A 1 10 ? -6.203 -4.199 3.260 1.00 92.57 10 A 1 ATOM 90 C CE2 . PHE A 1 10 ? -7.133 -2.044 2.772 1.00 93.03 10 A 1 ATOM 91 C CZ . PHE A 1 10 ? -7.212 -3.424 2.711 1.00 92.75 10 A 1 ATOM 92 N N . MET A 1 11 ? -2.655 0.593 2.649 1.00 97.17 11 A 1 ATOM 93 C CA . MET A 1 11 ? -2.792 1.546 1.547 1.00 97.24 11 A 1 ATOM 94 C C . MET A 1 11 ? -1.781 1.252 0.445 1.00 97.57 11 A 1 ATOM 95 O O . MET A 1 11 ? -2.112 1.286 -0.736 1.00 97.28 11 A 1 ATOM 96 C CB . MET A 1 11 ? -2.582 2.967 2.075 1.00 96.79 11 A 1 ATOM 97 C CG . MET A 1 11 ? -3.894 3.654 2.410 1.00 91.28 11 A 1 ATOM 98 S SD . MET A 1 11 ? -4.622 4.404 0.969 1.00 84.13 11 A 1 ATOM 99 C CE . MET A 1 11 ? -5.667 5.635 1.755 1.00 74.36 11 A 1 ATOM 100 N N . LEU A 1 12 ? -0.562 0.964 0.836 1.00 98.01 12 A 1 ATOM 101 C CA . LEU A 1 12 ? 0.494 0.658 -0.124 1.00 98.06 12 A 1 ATOM 102 C C . LEU A 1 12 ? 0.140 -0.577 -0.944 1.00 98.21 12 A 1 ATOM 103 O O . LEU A 1 12 ? 0.351 -0.611 -2.155 1.00 98.05 12 A 1 ATOM 104 C CB . LEU A 1 12 ? 1.816 0.433 0.614 1.00 97.85 12 A 1 ATOM 105 C CG . LEU A 1 12 ? 3.033 0.724 -0.261 1.00 91.19 12 A 1 ATOM 106 C CD1 . LEU A 1 12 ? 3.416 2.197 -0.161 1.00 89.43 12 A 1 ATOM 107 C CD2 . LEU A 1 12 ? 4.206 -0.143 0.147 1.00 90.40 12 A 1 ATOM 108 N N . ILE A 1 13 ? -0.396 -1.582 -0.287 1.00 98.33 13 A 1 ATOM 109 C CA . ILE A 1 13 ? -0.771 -2.823 -0.962 1.00 98.19 13 A 1 ATOM 110 C C . ILE A 1 13 ? -1.891 -2.566 -1.966 1.00 98.19 13 A 1 ATOM 111 O O . ILE A 1 13 ? -1.852 -3.064 -3.096 1.00 97.81 13 A 1 ATOM 112 C CB . ILE A 1 13 ? -1.210 -3.882 0.066 1.00 98.03 13 A 1 ATOM 113 C CG1 . ILE A 1 13 ? -0.038 -4.269 0.965 1.00 96.57 13 A 1 ATOM 114 C CG2 . ILE A 1 13 ? -1.747 -5.121 -0.653 1.00 95.82 13 A 1 ATOM 115 C CD1 . ILE A 1 13 ? -0.473 -4.947 2.247 1.00 91.63 13 A 1 ATOM 116 N N . VAL A 1 14 ? -2.875 -1.801 -1.562 1.00 98.20 14 A 1 ATOM 117 C CA . VAL A 1 14 ? -4.000 -1.489 -2.441 1.00 98.00 14 A 1 ATOM 118 C C . VAL A 1 14 ? -3.528 -0.707 -3.660 1.00 97.99 14 A 1 ATOM 119 O O . VAL A 1 14 ? -3.938 -0.989 -4.790 1.00 97.59 14 A 1 ATOM 120 C CB . VAL A 1 14 ? -5.072 -0.690 -1.684 1.00 97.47 14 A 1 ATOM 121 C CG1 . VAL A 1 14 ? -6.199 -0.290 -2.623 1.00 95.65 14 A 1 ATOM 122 C CG2 . VAL A 1 14 ? -5.623 -1.506 -0.532 1.00 95.75 14 A 1 ATOM 123 N N . ILE A 1 15 ? -2.669 0.267 -3.442 1.00 98.00 15 A 1 ATOM 124 C CA . ILE A 1 15 ? -2.139 1.080 -4.535 1.00 97.62 15 A 1 ATOM 125 C C . ILE A 1 15 ? -1.326 0.213 -5.488 1.00 97.56 15 A 1 ATOM 126 O O . ILE A 1 15 ? -1.432 0.350 -6.711 1.00 97.12 15 A 1 ATOM 127 C CB . ILE A 1 15 ? -1.266 2.226 -3.984 1.00 97.24 15 A 1 ATOM 128 C CG1 . ILE A 1 15 ? -2.120 3.202 -3.172 1.00 95.71 15 A 1 ATOM 129 C CG2 . ILE A 1 15 ? -0.587 2.967 -5.136 1.00 94.41 15 A 1 ATOM 130 C CD1 . ILE A 1 15 ? -1.300 4.087 -2.261 1.00 91.49 15 A 1 ATOM 131 N N . ALA A 1 16 ? -0.513 -0.665 -4.936 1.00 98.12 16 A 1 ATOM 132 C CA . ALA A 1 16 ? 0.313 -1.552 -5.751 1.00 97.91 16 A 1 ATOM 133 C C . ALA A 1 16 ? -0.561 -2.453 -6.620 1.00 97.69 16 A 1 ATOM 134 O O . ALA A 1 16 ? -0.252 -2.690 -7.788 1.00 96.77 16 A 1 ATOM 135 C CB . ALA A 1 16 ? 1.214 -2.395 -4.854 1.00 97.74 16 A 1 ATOM 136 N N . LEU A 1 17 ? -1.644 -2.938 -6.051 1.00 97.54 17 A 1 ATOM 137 C CA . LEU A 1 17 ? -2.565 -3.805 -6.782 1.00 96.97 17 A 1 ATOM 138 C C . LEU A 1 17 ? -3.225 -3.043 -7.923 1.00 96.59 17 A 1 ATOM 139 O O . LEU A 1 17 ? -3.340 -3.553 -9.038 1.00 95.79 17 A 1 ATOM 140 C CB . LEU A 1 17 ? -3.619 -4.356 -5.826 1.00 96.60 17 A 1 ATOM 141 C CG . LEU A 1 17 ? -4.287 -5.627 -6.351 1.00 91.92 17 A 1 ATOM 142 C CD1 . LEU A 1 17 ? -4.306 -6.696 -5.278 1.00 87.97 17 A 1 ATOM 143 C CD2 . LEU A 1 17 ? -5.692 -5.338 -6.831 1.00 88.30 17 A 1 ATOM 144 N N . MET A 1 18 ? -3.653 -1.833 -7.659 1.00 96.44 18 A 1 ATOM 145 C CA . MET A 1 18 ? -4.286 -0.998 -8.683 1.00 95.72 18 A 1 ATOM 146 C C . MET A 1 18 ? -3.310 -0.677 -9.807 1.00 95.30 18 A 1 ATOM 147 O O . MET A 1 18 ? -3.667 -0.743 -10.981 1.00 93.57 18 A 1 ATOM 148 C CB . MET A 1 18 ? -4.781 0.302 -8.051 1.00 94.36 18 A 1 ATOM 149 C CG . MET A 1 18 ? -6.022 0.095 -7.205 1.00 89.46 18 A 1 ATOM 150 S SD . MET A 1 18 ? -6.650 1.647 -6.568 1.00 80.81 18 A 1 ATOM 151 C CE . MET A 1 18 ? -8.100 1.057 -5.697 1.00 69.90 18 A 1 ATOM 152 N N . ALA A 1 19 ? -2.088 -0.327 -9.439 1.00 96.80 19 A 1 ATOM 153 C CA . ALA A 1 19 ? -1.066 0.007 -10.427 1.00 96.47 19 A 1 ATOM 154 C C . ALA A 1 19 ? -0.716 -1.203 -11.284 1.00 96.51 19 A 1 ATOM 155 O O . ALA A 1 19 ? -0.566 -1.088 -12.502 1.00 94.90 19 A 1 ATOM 156 C CB . ALA A 1 19 ? 0.183 0.532 -9.725 1.00 95.69 19 A 1 ATOM 157 N N . SER A 1 20 ? -0.595 -2.357 -10.655 1.00 96.60 20 A 1 ATOM 158 C CA . SER A 1 20 ? -0.256 -3.590 -11.365 1.00 96.19 20 A 1 ATOM 159 C C . SER A 1 20 ? -1.410 -4.048 -12.251 1.00 95.98 20 A 1 ATOM 160 O O . SER A 1 20 ? -1.203 -4.523 -13.366 1.00 93.67 20 A 1 ATOM 161 C CB . SER A 1 20 ? 0.107 -4.689 -10.368 1.00 94.60 20 A 1 ATOM 162 O OG . SER A 1 20 ? 0.573 -5.833 -11.047 1.00 82.37 20 A 1 ATOM 163 N N . PHE A 1 21 ? -2.621 -3.900 -11.749 1.00 95.44 21 A 1 ATOM 164 C CA . PHE A 1 21 ? -3.809 -4.298 -12.498 1.00 94.50 21 A 1 ATOM 165 C C . PHE A 1 21 ? -4.014 -3.414 -13.719 1.00 94.62 21 A 1 ATOM 166 O O . PHE A 1 21 ? -4.569 -3.856 -14.729 1.00 92.22 21 A 1 ATOM 167 C CB . PHE A 1 21 ? -5.034 -4.221 -11.594 1.00 92.76 21 A 1 ATOM 168 C CG . PHE A 1 21 ? -6.237 -4.871 -12.216 1.00 88.86 21 A 1 ATOM 169 C CD1 . PHE A 1 21 ? -6.296 -6.243 -12.360 1.00 83.90 21 A 1 ATOM 170 C CD2 . PHE A 1 21 ? -7.300 -4.104 -12.658 1.00 83.35 21 A 1 ATOM 171 C CE1 . PHE A 1 21 ? -7.402 -6.846 -12.934 1.00 81.10 21 A 1 ATOM 172 C CE2 . PHE A 1 21 ? -8.410 -4.702 -13.235 1.00 81.31 21 A 1 ATOM 173 C CZ . PHE A 1 21 ? -8.458 -6.075 -13.370 1.00 79.47 21 A 1 ATOM 174 N N . SER A 1 22 ? -3.583 -2.177 -13.637 1.00 92.14 22 A 1 ATOM 175 C CA . SER A 1 22 ? -3.714 -1.234 -14.742 1.00 90.98 22 A 1 ATOM 176 C C . SER A 1 22 ? -2.813 -1.633 -15.906 1.00 90.04 22 A 1 ATOM 177 O O . SER A 1 22 ? -1.644 -1.953 -15.710 1.00 84.11 22 A 1 ATOM 178 C CB . SER A 1 22 ? -3.357 0.173 -14.284 1.00 86.82 22 A 1 ATOM 179 O OG . SER A 1 22 ? -3.653 1.103 -15.306 1.00 73.07 22 A 1 ATOM 180 N N . SER A 1 23 ? -3.361 -1.597 -17.121 1.00 90.44 23 A 1 ATOM 181 C CA . SER A 1 23 ? -2.590 -1.935 -18.315 1.00 88.91 23 A 1 ATOM 182 C C . SER A 1 23 ? -2.737 -0.835 -19.354 1.00 87.06 23 A 1 ATOM 183 O O . SER A 1 23 ? -3.846 -0.358 -19.604 1.00 79.71 23 A 1 ATOM 184 C CB . SER A 1 23 ? -3.064 -3.266 -18.889 1.00 85.49 23 A 1 ATOM 185 O OG . SER A 1 23 ? -4.420 -3.193 -19.252 1.00 75.09 23 A 1 ATOM 186 N N . ALA A 1 24 ? -1.609 -0.444 -19.960 1.00 84.08 24 A 1 ATOM 187 C CA . ALA A 1 24 ? -1.619 0.628 -20.949 1.00 80.75 24 A 1 ATOM 188 C C . ALA A 1 24 ? -0.955 0.154 -22.243 1.00 76.43 24 A 1 ATOM 189 O O . ALA A 1 24 ? -1.641 0.021 -23.260 1.00 69.54 24 A 1 ATOM 190 C CB . ALA A 1 24 ? -0.913 1.862 -20.389 1.00 73.05 24 A 1 ATOM 191 O OXT . ALA A 1 24 ? 0.263 -0.058 -22.226 1.00 65.65 24 A 1 #