# 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_spkb15402 # _entry.id spkb15402 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)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" "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 ALA 2 1 n THR 3 1 n PRO 4 1 n GLN 5 1 n SER 6 1 n VAL 7 1 n PHE 8 1 n VAL 9 1 n PHE 10 1 n ALA 11 1 n ILE 12 1 n CYS 13 1 n ILE 14 1 n LEU 15 1 n MET 16 1 n ILE 17 1 n THR 18 1 n GLU 19 1 n LEU 20 1 n ILE 21 1 n LEU 22 1 n ALA 23 # _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 @ 2025-07-09 22:21:00)" _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 95.46 _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 81.81 1 1 A ALA 2 2 87.53 1 2 A THR 3 2 92.83 1 3 A PRO 4 2 96.30 1 4 A GLN 5 2 91.34 1 5 A SER 6 2 96.20 1 6 A VAL 7 2 97.77 1 7 A PHE 8 2 97.17 1 8 A VAL 9 2 98.08 1 9 A PHE 10 2 97.20 1 10 A ALA 11 2 98.47 1 11 A ILE 12 2 97.45 1 12 A CYS 13 2 98.03 1 13 A ILE 14 2 97.93 1 14 A LEU 15 2 97.33 1 15 A MET 16 2 94.92 1 16 A ILE 17 2 98.07 1 17 A THR 18 2 97.30 1 18 A GLU 19 2 94.25 1 19 A LEU 20 2 96.71 1 20 A ILE 21 2 98.08 1 21 A LEU 22 2 96.87 1 22 A ALA 23 2 92.05 1 23 # _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 THR . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? -2.787 -17.164 -3.726 1.00 88.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.552 -17.235 -2.267 1.00 89.59 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.947 -15.910 -1.820 1.00 91.05 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.782 -15.646 -2.097 1.00 87.07 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.637 -18.420 -1.933 1.00 85.01 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.581 -18.742 -0.439 1.00 77.23 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.678 -20.282 -0.132 1.00 71.79 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.862 -20.416 1.647 1.00 64.05 1 A 1 ATOM 9 N N . ALA A 1 2 ? -2.741 -15.046 -1.202 1.00 84.62 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -2.256 -13.757 -0.707 1.00 89.18 2 A 1 ATOM 11 C C . ALA A 1 2 ? -1.553 -13.966 0.630 1.00 92.03 2 A 1 ATOM 12 O O . ALA A 1 2 ? -2.174 -14.408 1.596 1.00 88.80 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -3.420 -12.779 -0.574 1.00 83.01 2 A 1 ATOM 14 N N . THR A 1 3 ? -0.265 -13.663 0.679 1.00 94.78 3 A 1 ATOM 15 C CA . THR A 1 3 ? 0.481 -13.726 1.935 1.00 96.41 3 A 1 ATOM 16 C C . THR A 1 3 ? 0.111 -12.517 2.802 1.00 97.28 3 A 1 ATOM 17 O O . THR A 1 3 ? -0.259 -11.464 2.264 1.00 96.48 3 A 1 ATOM 18 C CB . THR A 1 3 ? 1.996 -13.772 1.691 1.00 93.83 3 A 1 ATOM 19 O OG1 . THR A 1 3 ? 2.419 -12.641 0.963 1.00 85.68 3 A 1 ATOM 20 C CG2 . THR A 1 3 ? 2.402 -15.024 0.931 1.00 85.36 3 A 1 ATOM 21 N N . PRO A 1 4 ? 0.219 -12.631 4.149 1.00 96.93 4 A 1 ATOM 22 C CA . PRO A 1 4 ? -0.047 -11.489 5.037 1.00 97.57 4 A 1 ATOM 23 C C . PRO A 1 4 ? 0.778 -10.255 4.663 1.00 97.98 4 A 1 ATOM 24 O O . PRO A 1 4 ? 0.293 -9.127 4.751 1.00 97.18 4 A 1 ATOM 25 C CB . PRO A 1 4 ? 0.314 -12.001 6.438 1.00 96.26 4 A 1 ATOM 26 C CG . PRO A 1 4 ? 0.173 -13.500 6.335 1.00 93.14 4 A 1 ATOM 27 C CD . PRO A 1 4 ? 0.540 -13.833 4.903 1.00 95.05 4 A 1 ATOM 28 N N . GLN A 1 5 ? 2.015 -10.462 4.198 1.00 97.55 5 A 1 ATOM 29 C CA . GLN A 1 5 ? 2.893 -9.385 3.739 1.00 97.85 5 A 1 ATOM 30 C C . GLN A 1 5 ? 2.322 -8.686 2.501 1.00 98.17 5 A 1 ATOM 31 O O . GLN A 1 5 ? 2.352 -7.459 2.426 1.00 97.69 5 A 1 ATOM 32 C CB . GLN A 1 5 ? 4.287 -9.938 3.437 1.00 97.20 5 A 1 ATOM 33 C CG . GLN A 1 5 ? 5.020 -10.373 4.707 1.00 90.45 5 A 1 ATOM 34 C CD . GLN A 1 5 ? 6.405 -10.937 4.413 1.00 86.07 5 A 1 ATOM 35 O OE1 . GLN A 1 5 ? 6.721 -11.328 3.300 1.00 80.04 5 A 1 ATOM 36 N NE2 . GLN A 1 5 ? 7.265 -11.007 5.402 1.00 77.01 5 A 1 ATOM 37 N N . SER A 1 6 ? 1.769 -9.426 1.548 1.00 97.63 6 A 1 ATOM 38 C CA . SER A 1 6 ? 1.153 -8.849 0.350 1.00 98.12 6 A 1 ATOM 39 C C . SER A 1 6 ? -0.045 -7.972 0.710 1.00 98.45 6 A 1 ATOM 40 O O . SER A 1 6 ? -0.205 -6.891 0.151 1.00 98.11 6 A 1 ATOM 41 C CB . SER A 1 6 ? 0.718 -9.946 -0.617 1.00 97.23 6 A 1 ATOM 42 O OG . SER A 1 6 ? 1.839 -10.704 -1.034 1.00 87.66 6 A 1 ATOM 43 N N . VAL A 1 7 ? -0.877 -8.405 1.665 1.00 98.26 7 A 1 ATOM 44 C CA . VAL A 1 7 ? -2.021 -7.618 2.144 1.00 98.53 7 A 1 ATOM 45 C C . VAL A 1 7 ? -1.542 -6.327 2.807 1.00 98.69 7 A 1 ATOM 46 O O . VAL A 1 7 ? -2.105 -5.258 2.569 1.00 98.59 7 A 1 ATOM 47 C CB . VAL A 1 7 ? -2.888 -8.447 3.114 1.00 98.23 7 A 1 ATOM 48 C CG1 . VAL A 1 7 ? -4.044 -7.627 3.680 1.00 96.28 7 A 1 ATOM 49 C CG2 . VAL A 1 7 ? -3.460 -9.671 2.404 1.00 95.83 7 A 1 ATOM 50 N N . PHE A 1 8 ? -0.486 -6.405 3.609 1.00 98.38 8 A 1 ATOM 51 C CA . PHE A 1 8 ? 0.082 -5.242 4.288 1.00 98.51 8 A 1 ATOM 52 C C . PHE A 1 8 ? 0.634 -4.223 3.281 1.00 98.63 8 A 1 ATOM 53 O O . PHE A 1 8 ? 0.331 -3.034 3.376 1.00 98.58 8 A 1 ATOM 54 C CB . PHE A 1 8 ? 1.160 -5.715 5.270 1.00 98.36 8 A 1 ATOM 55 C CG . PHE A 1 8 ? 1.677 -4.654 6.223 1.00 97.66 8 A 1 ATOM 56 C CD1 . PHE A 1 8 ? 0.852 -3.630 6.691 1.00 96.13 8 A 1 ATOM 57 C CD2 . PHE A 1 8 ? 2.991 -4.728 6.692 1.00 96.02 8 A 1 ATOM 58 C CE1 . PHE A 1 8 ? 1.328 -2.678 7.601 1.00 95.51 8 A 1 ATOM 59 C CE2 . PHE A 1 8 ? 3.471 -3.780 7.607 1.00 95.36 8 A 1 ATOM 60 C CZ . PHE A 1 8 ? 2.643 -2.754 8.053 1.00 95.76 8 A 1 ATOM 61 N N . VAL A 1 9 ? 1.386 -4.678 2.285 1.00 98.44 9 A 1 ATOM 62 C CA . VAL A 1 9 ? 1.908 -3.807 1.222 1.00 98.54 9 A 1 ATOM 63 C C . VAL A 1 9 ? 0.757 -3.168 0.443 1.00 98.68 9 A 1 ATOM 64 O O . VAL A 1 9 ? 0.795 -1.974 0.149 1.00 98.63 9 A 1 ATOM 65 C CB . VAL A 1 9 ? 2.849 -4.590 0.290 1.00 98.27 9 A 1 ATOM 66 C CG1 . VAL A 1 9 ? 3.262 -3.768 -0.926 1.00 97.05 9 A 1 ATOM 67 C CG2 . VAL A 1 9 ? 4.113 -5.001 1.040 1.00 96.96 9 A 1 ATOM 68 N N . PHE A 1 10 ? -0.287 -3.932 0.138 1.00 98.36 10 A 1 ATOM 69 C CA . PHE A 1 10 ? -1.460 -3.421 -0.569 1.00 98.43 10 A 1 ATOM 70 C C . PHE A 1 10 ? -2.159 -2.323 0.239 1.00 98.59 10 A 1 ATOM 71 O O . PHE A 1 10 ? -2.538 -1.294 -0.316 1.00 98.55 10 A 1 ATOM 72 C CB . PHE A 1 10 ? -2.414 -4.581 -0.872 1.00 98.23 10 A 1 ATOM 73 C CG . PHE A 1 10 ? -3.188 -4.367 -2.150 1.00 97.43 10 A 1 ATOM 74 C CD1 . PHE A 1 10 ? -4.396 -3.669 -2.146 1.00 96.48 10 A 1 ATOM 75 C CD2 . PHE A 1 10 ? -2.687 -4.872 -3.353 1.00 96.28 10 A 1 ATOM 76 C CE1 . PHE A 1 10 ? -5.100 -3.468 -3.330 1.00 95.73 10 A 1 ATOM 77 C CE2 . PHE A 1 10 ? -3.389 -4.676 -4.542 1.00 95.47 10 A 1 ATOM 78 C CZ . PHE A 1 10 ? -4.594 -3.974 -4.532 1.00 95.61 10 A 1 ATOM 79 N N . ALA A 1 11 ? -2.297 -2.512 1.556 1.00 98.40 11 A 1 ATOM 80 C CA . ALA A 1 11 ? -2.885 -1.504 2.439 1.00 98.50 11 A 1 ATOM 81 C C . ALA A 1 11 ? -2.057 -0.210 2.445 1.00 98.64 11 A 1 ATOM 82 O O . ALA A 1 11 ? -2.621 0.881 2.363 1.00 98.51 11 A 1 ATOM 83 C CB . ALA A 1 11 ? -3.023 -2.089 3.850 1.00 98.31 11 A 1 ATOM 84 N N . ILE A 1 12 ? -0.727 -0.320 2.495 1.00 98.58 12 A 1 ATOM 85 C CA . ILE A 1 12 ? 0.167 0.840 2.432 1.00 98.56 12 A 1 ATOM 86 C C . ILE A 1 12 ? 0.002 1.562 1.092 1.00 98.65 12 A 1 ATOM 87 O O . ILE A 1 12 ? -0.110 2.788 1.065 1.00 98.46 12 A 1 ATOM 88 C CB . ILE A 1 12 ? 1.631 0.419 2.678 1.00 98.34 12 A 1 ATOM 89 C CG1 . ILE A 1 12 ? 1.816 -0.051 4.136 1.00 97.07 12 A 1 ATOM 90 C CG2 . ILE A 1 12 ? 2.595 1.585 2.387 1.00 96.85 12 A 1 ATOM 91 C CD1 . ILE A 1 12 ? 3.131 -0.788 4.378 1.00 93.10 12 A 1 ATOM 92 N N . CYS A 1 13 ? -0.061 0.826 -0.019 1.00 98.63 13 A 1 ATOM 93 C CA . CYS A 1 13 ? -0.262 1.422 -1.340 1.00 98.65 13 A 1 ATOM 94 C C . CYS A 1 13 ? -1.580 2.203 -1.412 1.00 98.71 13 A 1 ATOM 95 O O . CYS A 1 13 ? -1.606 3.308 -1.944 1.00 98.48 13 A 1 ATOM 96 C CB . CYS A 1 13 ? -0.233 0.329 -2.413 1.00 98.42 13 A 1 ATOM 97 S SG . CYS A 1 13 ? 1.441 -0.315 -2.653 1.00 95.31 13 A 1 ATOM 98 N N . ILE A 1 14 ? -2.663 1.653 -0.868 1.00 98.74 14 A 1 ATOM 99 C CA . ILE A 1 14 ? -3.958 2.336 -0.835 1.00 98.72 14 A 1 ATOM 100 C C . ILE A 1 14 ? -3.856 3.634 -0.029 1.00 98.75 14 A 1 ATOM 101 O O . ILE A 1 14 ? -4.339 4.676 -0.482 1.00 98.62 14 A 1 ATOM 102 C CB . ILE A 1 14 ? -5.049 1.400 -0.271 1.00 98.55 14 A 1 ATOM 103 C CG1 . ILE A 1 14 ? -5.344 0.267 -1.274 1.00 97.70 14 A 1 ATOM 104 C CG2 . ILE A 1 14 ? -6.345 2.179 0.026 1.00 97.53 14 A 1 ATOM 105 C CD1 . ILE A 1 14 ? -6.140 -0.883 -0.679 1.00 94.81 14 A 1 ATOM 106 N N . LEU A 1 15 ? -3.210 3.599 1.141 1.00 98.74 15 A 1 ATOM 107 C CA . LEU A 1 15 ? -3.019 4.791 1.967 1.00 98.67 15 A 1 ATOM 108 C C . LEU A 1 15 ? -2.195 5.851 1.230 1.00 98.72 15 A 1 ATOM 109 O O . LEU A 1 15 ? -2.579 7.019 1.211 1.00 98.44 15 A 1 ATOM 110 C CB . LEU A 1 15 ? -2.347 4.397 3.294 1.00 98.42 15 A 1 ATOM 111 C CG . LEU A 1 15 ? -3.243 3.587 4.243 1.00 96.31 15 A 1 ATOM 112 C CD1 . LEU A 1 15 ? -2.414 3.032 5.402 1.00 94.64 15 A 1 ATOM 113 C CD2 . LEU A 1 15 ? -4.373 4.442 4.813 1.00 94.68 15 A 1 ATOM 114 N N . MET A 1 16 ? -1.105 5.458 0.579 1.00 98.71 16 A 1 ATOM 115 C CA . MET A 1 16 ? -0.251 6.376 -0.184 1.00 98.67 16 A 1 ATOM 116 C C . MET A 1 16 ? -1.012 7.013 -1.352 1.00 98.73 16 A 1 ATOM 117 O O . MET A 1 16 ? -0.897 8.214 -1.584 1.00 98.45 16 A 1 ATOM 118 C CB . MET A 1 16 ? 0.984 5.631 -0.708 1.00 98.45 16 A 1 ATOM 119 C CG . MET A 1 16 ? 1.957 5.208 0.393 1.00 96.07 16 A 1 ATOM 120 S SD . MET A 1 16 ? 3.436 6.250 0.478 1.00 89.90 16 A 1 ATOM 121 C CE . MET A 1 16 ? 2.885 7.533 1.605 1.00 80.42 16 A 1 ATOM 122 N N . ILE A 1 17 ? -1.806 6.229 -2.082 1.00 98.78 17 A 1 ATOM 123 C CA . ILE A 1 17 ? -2.617 6.741 -3.191 1.00 98.75 17 A 1 ATOM 124 C C . ILE A 1 17 ? -3.683 7.708 -2.663 1.00 98.77 17 A 1 ATOM 125 O O . ILE A 1 17 ? -3.909 8.762 -3.256 1.00 98.63 17 A 1 ATOM 126 C CB . ILE A 1 17 ? -3.242 5.571 -3.983 1.00 98.61 17 A 1 ATOM 127 C CG1 . ILE A 1 17 ? -2.146 4.785 -4.736 1.00 97.81 17 A 1 ATOM 128 C CG2 . ILE A 1 17 ? -4.290 6.079 -4.988 1.00 97.71 17 A 1 ATOM 129 C CD1 . ILE A 1 17 ? -2.604 3.413 -5.218 1.00 95.54 17 A 1 ATOM 130 N N . THR A 1 18 ? -4.318 7.374 -1.540 1.00 98.77 18 A 1 ATOM 131 C CA . THR A 1 18 ? -5.334 8.235 -0.923 1.00 98.72 18 A 1 ATOM 132 C C . THR A 1 18 ? -4.724 9.578 -0.506 1.00 98.75 18 A 1 ATOM 133 O O . THR A 1 18 ? -5.300 10.624 -0.801 1.00 98.42 18 A 1 ATOM 134 C CB . THR A 1 18 ? -5.978 7.532 0.284 1.00 98.36 18 A 1 ATOM 135 O OG1 . THR A 1 18 ? -6.537 6.292 -0.122 1.00 94.16 18 A 1 ATOM 136 C CG2 . THR A 1 18 ? -7.114 8.358 0.885 1.00 93.89 18 A 1 ATOM 137 N N . GLU A 1 19 ? -3.553 9.558 0.134 1.00 98.79 19 A 1 ATOM 138 C CA . GLU A 1 19 ? -2.827 10.780 0.491 1.00 98.76 19 A 1 ATOM 139 C C . GLU A 1 19 ? -2.492 11.605 -0.754 1.00 98.80 19 A 1 ATOM 140 O O . GLU A 1 19 ? -2.678 12.821 -0.766 1.00 98.49 19 A 1 ATOM 141 C CB . GLU A 1 19 ? -1.534 10.420 1.241 1.00 98.53 19 A 1 ATOM 142 C CG . GLU A 1 19 ? -1.764 9.974 2.688 1.00 94.35 19 A 1 ATOM 143 C CD . GLU A 1 19 ? -2.118 11.149 3.607 1.00 89.60 19 A 1 ATOM 144 O OE1 . GLU A 1 19 ? -3.087 11.019 4.372 1.00 85.86 19 A 1 ATOM 145 O OE2 . GLU A 1 19 ? -1.415 12.179 3.564 1.00 85.10 19 A 1 ATOM 146 N N . LEU A 1 20 ? -2.037 10.961 -1.823 1.00 98.82 20 A 1 ATOM 147 C CA . LEU A 1 20 ? -1.690 11.634 -3.075 1.00 98.79 20 A 1 ATOM 148 C C . LEU A 1 20 ? -2.912 12.293 -3.728 1.00 98.81 20 A 1 ATOM 149 O O . LEU A 1 20 ? -2.800 13.390 -4.269 1.00 98.52 20 A 1 ATOM 150 C CB . LEU A 1 20 ? -1.034 10.618 -4.021 1.00 98.59 20 A 1 ATOM 151 C CG . LEU A 1 20 ? -0.523 11.224 -5.337 1.00 94.70 20 A 1 ATOM 152 C CD1 . LEU A 1 20 ? 0.644 12.184 -5.101 1.00 92.39 20 A 1 ATOM 153 C CD2 . LEU A 1 20 ? -0.066 10.113 -6.276 1.00 93.08 20 A 1 ATOM 154 N N . ILE A 1 21 ? -4.070 11.637 -3.694 1.00 98.81 21 A 1 ATOM 155 C CA . ILE A 1 21 ? -5.307 12.170 -4.283 1.00 98.78 21 A 1 ATOM 156 C C . ILE A 1 21 ? -5.862 13.321 -3.439 1.00 98.76 21 A 1 ATOM 157 O O . ILE A 1 21 ? -6.400 14.285 -3.991 1.00 98.56 21 A 1 ATOM 158 C CB . ILE A 1 21 ? -6.349 11.041 -4.457 1.00 98.64 21 A 1 ATOM 159 C CG1 . ILE A 1 21 ? -5.888 10.050 -5.542 1.00 97.85 21 A 1 ATOM 160 C CG2 . ILE A 1 21 ? -7.734 11.602 -4.824 1.00 97.42 21 A 1 ATOM 161 C CD1 . ILE A 1 21 ? -6.686 8.750 -5.569 1.00 95.82 21 A 1 ATOM 162 N N . LEU A 1 22 ? -5.742 13.229 -2.113 1.00 98.67 22 A 1 ATOM 163 C CA . LEU A 1 22 ? -6.259 14.245 -1.191 1.00 98.56 22 A 1 ATOM 164 C C . LEU A 1 22 ? -5.277 15.400 -0.966 1.00 98.51 22 A 1 ATOM 165 O O . LEU A 1 22 ? -5.655 16.397 -0.346 1.00 97.95 22 A 1 ATOM 166 C CB . LEU A 1 22 ? -6.639 13.576 0.143 1.00 98.15 22 A 1 ATOM 167 C CG . LEU A 1 22 ? -7.800 12.573 0.053 1.00 96.43 22 A 1 ATOM 168 C CD1 . LEU A 1 22 ? -8.004 11.903 1.407 1.00 93.76 22 A 1 ATOM 169 C CD2 . LEU A 1 22 ? -9.101 13.253 -0.358 1.00 92.95 22 A 1 ATOM 170 N N . ALA A 1 23 ? -4.040 15.291 -1.438 1.00 97.10 23 A 1 ATOM 171 C CA . ALA A 1 23 ? -3.020 16.326 -1.304 1.00 96.05 23 A 1 ATOM 172 C C . ALA A 1 23 ? -3.293 17.529 -2.221 1.00 93.91 23 A 1 ATOM 173 O O . ALA A 1 23 ? -3.907 17.371 -3.291 1.00 89.57 23 A 1 ATOM 174 C CB . ALA A 1 23 ? -1.636 15.723 -1.561 1.00 93.21 23 A 1 ATOM 175 O OXT . ALA A 1 23 ? -2.872 18.642 -1.862 1.00 82.49 23 A 1 #