# 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_spkb12471 # _entry.id spkb12471 # 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" "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" # _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 PRO 3 1 n GLN 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n CYS 8 1 n LEU 9 1 n ILE 10 1 n LEU 11 1 n THR 12 1 n PHE 13 1 n LEU 14 1 n TRP 15 1 n SER 16 1 n LEU 17 1 n SER 18 1 n GLU 19 1 n ALA 20 # _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 @ 2025-07-05 19:09:54)" _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 93.39 _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 81.00 1 1 A ALA 2 2 92.42 1 2 A PRO 3 2 94.54 1 3 A GLN 4 2 90.49 1 4 A LEU 5 2 94.65 1 5 A LEU 6 2 94.11 1 6 A LEU 7 2 95.46 1 7 A CYS 8 2 97.43 1 8 A LEU 9 2 95.20 1 9 A ILE 10 2 97.00 1 10 A LEU 11 2 96.07 1 11 A THR 12 2 95.49 1 12 A PHE 13 2 95.23 1 13 A LEU 14 2 96.21 1 14 A TRP 15 2 92.90 1 15 A SER 16 2 96.43 1 16 A LEU 17 2 96.09 1 17 A SER 18 2 94.63 1 18 A GLU 19 2 87.21 1 19 A ALA 20 2 86.34 1 20 # _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 PRO . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n THR . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n TRP . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -10.453 -4.446 15.254 1.00 87.19 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.724 -3.800 14.152 1.00 88.53 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.374 -4.126 12.815 1.00 89.89 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.959 -5.192 12.652 1.00 87.75 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.263 -4.262 14.121 1.00 83.46 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.502 -3.855 15.372 1.00 76.84 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.796 -4.444 15.351 1.00 70.90 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.205 -3.752 16.885 1.00 63.45 1 A 1 ATOM 9 N N . ALA A 1 2 ? -10.269 -3.212 11.856 1.00 90.40 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -10.887 -3.392 10.549 1.00 93.68 2 A 1 ATOM 11 C C . ALA A 1 2 ? -9.871 -3.909 9.524 1.00 94.93 2 A 1 ATOM 12 O O . ALA A 1 2 ? -8.751 -3.399 9.467 1.00 93.35 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -11.493 -2.075 10.078 1.00 89.73 2 A 1 ATOM 14 N N . PRO A 1 3 ? -10.255 -4.906 8.702 1.00 95.45 3 A 1 ATOM 15 C CA . PRO A 1 3 ? -9.363 -5.470 7.681 1.00 96.49 3 A 1 ATOM 16 C C . PRO A 1 3 ? -9.015 -4.470 6.586 1.00 97.05 3 A 1 ATOM 17 O O . PRO A 1 3 ? -7.917 -4.516 6.024 1.00 95.39 3 A 1 ATOM 18 C CB . PRO A 1 3 ? -10.156 -6.657 7.117 1.00 94.03 3 A 1 ATOM 19 C CG . PRO A 1 3 ? -11.584 -6.328 7.399 1.00 90.56 3 A 1 ATOM 20 C CD . PRO A 1 3 ? -11.578 -5.551 8.685 1.00 92.83 3 A 1 ATOM 21 N N . GLN A 1 4 ? -9.944 -3.559 6.282 1.00 96.48 4 A 1 ATOM 22 C CA . GLN A 1 4 ? -9.712 -2.550 5.256 1.00 97.10 4 A 1 ATOM 23 C C . GLN A 1 4 ? -8.591 -1.595 5.661 1.00 97.52 4 A 1 ATOM 24 O O . GLN A 1 4 ? -7.870 -1.079 4.803 1.00 96.54 4 A 1 ATOM 25 C CB . GLN A 1 4 ? -10.999 -1.767 4.952 1.00 96.00 4 A 1 ATOM 26 C CG . GLN A 1 4 ? -11.621 -1.048 6.136 1.00 89.14 4 A 1 ATOM 27 C CD . GLN A 1 4 ? -12.663 -1.900 6.848 1.00 85.42 4 A 1 ATOM 28 O OE1 . GLN A 1 4 ? -12.564 -3.123 6.900 1.00 80.01 4 A 1 ATOM 29 N NE2 . GLN A 1 4 ? -13.681 -1.269 7.406 1.00 76.18 4 A 1 ATOM 30 N N . LEU A 1 5 ? -8.421 -1.373 6.955 1.00 97.30 5 A 1 ATOM 31 C CA . LEU A 1 5 ? -7.352 -0.514 7.457 1.00 97.54 5 A 1 ATOM 32 C C . LEU A 1 5 ? -5.989 -1.116 7.133 1.00 97.84 5 A 1 ATOM 33 O O . LEU A 1 5 ? -5.074 -0.411 6.694 1.00 97.59 5 A 1 ATOM 34 C CB . LEU A 1 5 ? -7.501 -0.314 8.970 1.00 97.39 5 A 1 ATOM 35 C CG . LEU A 1 5 ? -6.462 0.620 9.589 1.00 92.07 5 A 1 ATOM 36 C CD1 . LEU A 1 5 ? -6.582 2.026 9.018 1.00 88.68 5 A 1 ATOM 37 C CD2 . LEU A 1 5 ? -6.626 0.649 11.102 1.00 88.78 5 A 1 ATOM 38 N N . LEU A 1 6 ? -5.865 -2.426 7.333 1.00 97.44 6 A 1 ATOM 39 C CA . LEU A 1 6 ? -4.633 -3.144 7.019 1.00 97.60 6 A 1 ATOM 40 C C . LEU A 1 6 ? -4.350 -3.096 5.523 1.00 97.85 6 A 1 ATOM 41 O O . LEU A 1 6 ? -3.206 -2.907 5.104 1.00 97.79 6 A 1 ATOM 42 C CB . LEU A 1 6 ? -4.738 -4.594 7.488 1.00 97.43 6 A 1 ATOM 43 C CG . LEU A 1 6 ? -3.472 -5.416 7.259 1.00 89.85 6 A 1 ATOM 44 C CD1 . LEU A 1 6 ? -2.298 -4.844 8.041 1.00 86.82 6 A 1 ATOM 45 C CD2 . LEU A 1 6 ? -3.717 -6.864 7.658 1.00 88.13 6 A 1 ATOM 46 N N . LEU A 1 7 ? -5.396 -3.262 4.717 1.00 97.73 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -5.274 -3.208 3.263 1.00 97.88 7 A 1 ATOM 48 C C . LEU A 1 7 ? -4.763 -1.845 2.811 1.00 98.11 7 A 1 ATOM 49 O O . LEU A 1 7 ? -3.867 -1.757 1.972 1.00 98.04 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -6.629 -3.509 2.611 1.00 97.62 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -6.608 -3.532 1.079 1.00 92.96 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -5.679 -4.622 0.565 1.00 90.41 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -8.016 -3.740 0.540 1.00 90.91 7 A 1 ATOM 54 N N . CYS A 1 8 ? -5.328 -0.773 3.372 1.00 98.05 8 A 1 ATOM 55 C CA . CYS A 1 8 ? -4.906 0.586 3.043 1.00 98.21 8 A 1 ATOM 56 C C . CYS A 1 8 ? -3.435 0.804 3.399 1.00 98.29 8 A 1 ATOM 57 O O . CYS A 1 8 ? -2.698 1.440 2.648 1.00 97.94 8 A 1 ATOM 58 C CB . CYS A 1 8 ? -5.781 1.606 3.779 1.00 98.04 8 A 1 ATOM 59 S SG . CYS A 1 8 ? -7.474 1.673 3.161 1.00 94.02 8 A 1 ATOM 60 N N . LEU A 1 9 ? -3.019 0.271 4.533 1.00 97.74 9 A 1 ATOM 61 C CA . LEU A 1 9 ? -1.635 0.382 4.978 1.00 97.77 9 A 1 ATOM 62 C C . LEU A 1 9 ? -0.693 -0.328 4.007 1.00 97.99 9 A 1 ATOM 63 O O . LEU A 1 9 ? 0.362 0.203 3.651 1.00 97.84 9 A 1 ATOM 64 C CB . LEU A 1 9 ? -1.491 -0.200 6.386 1.00 97.56 9 A 1 ATOM 65 C CG . LEU A 1 9 ? -0.092 -0.065 6.986 1.00 92.20 9 A 1 ATOM 66 C CD1 . LEU A 1 9 ? 0.292 1.402 7.149 1.00 89.84 9 A 1 ATOM 67 C CD2 . LEU A 1 9 ? -0.030 -0.774 8.332 1.00 90.63 9 A 1 ATOM 68 N N . ILE A 1 10 ? -1.080 -1.521 3.580 1.00 98.09 10 A 1 ATOM 69 C CA . ILE A 1 10 ? -0.288 -2.304 2.633 1.00 98.07 10 A 1 ATOM 70 C C . ILE A 1 10 ? -0.184 -1.580 1.292 1.00 98.14 10 A 1 ATOM 71 O O . ILE A 1 10 ? 0.896 -1.505 0.700 1.00 97.97 10 A 1 ATOM 72 C CB . ILE A 1 10 ? -0.896 -3.709 2.438 1.00 98.01 10 A 1 ATOM 73 C CG1 . ILE A 1 10 ? -0.791 -4.514 3.736 1.00 96.91 10 A 1 ATOM 74 C CG2 . ILE A 1 10 ? -0.186 -4.447 1.302 1.00 96.56 10 A 1 ATOM 75 C CD1 . ILE A 1 10 ? -1.602 -5.793 3.724 1.00 92.24 10 A 1 ATOM 76 N N . LEU A 1 11 ? -1.306 -1.041 0.817 1.00 97.98 11 A 1 ATOM 77 C CA . LEU A 1 11 ? -1.329 -0.320 -0.453 1.00 97.88 11 A 1 ATOM 78 C C . LEU A 1 11 ? -0.410 0.897 -0.407 1.00 97.87 11 A 1 ATOM 79 O O . LEU A 1 11 ? 0.327 1.169 -1.358 1.00 97.48 11 A 1 ATOM 80 C CB . LEU A 1 11 ? -2.764 0.115 -0.788 1.00 97.62 11 A 1 ATOM 81 C CG . LEU A 1 11 ? -3.714 -1.032 -1.140 1.00 94.61 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? -5.141 -0.515 -1.295 1.00 92.51 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? -3.273 -1.729 -2.422 1.00 92.63 11 A 1 ATOM 84 N N . THR A 1 12 ? -0.447 1.622 0.704 1.00 97.98 12 A 1 ATOM 85 C CA . THR A 1 12 ? 0.412 2.788 0.892 1.00 97.88 12 A 1 ATOM 86 C C . THR A 1 12 ? 1.884 2.368 0.907 1.00 97.95 12 A 1 ATOM 87 O O . THR A 1 12 ? 2.738 3.033 0.316 1.00 97.32 12 A 1 ATOM 88 C CB . THR A 1 12 ? 0.061 3.514 2.195 1.00 97.24 12 A 1 ATOM 89 O OG1 . THR A 1 12 ? -1.310 3.900 2.188 1.00 91.00 12 A 1 ATOM 90 C CG2 . THR A 1 12 ? 0.913 4.764 2.369 1.00 89.06 12 A 1 ATOM 91 N N . PHE A 1 13 ? 2.169 1.264 1.579 1.00 97.99 13 A 1 ATOM 92 C CA . PHE A 1 13 ? 3.527 0.735 1.658 1.00 98.00 13 A 1 ATOM 93 C C . PHE A 1 13 ? 4.045 0.336 0.277 1.00 98.02 13 A 1 ATOM 94 O O . PHE A 1 13 ? 5.171 0.674 -0.090 1.00 97.54 13 A 1 ATOM 95 C CB . PHE A 1 13 ? 3.554 -0.466 2.609 1.00 97.87 13 A 1 ATOM 96 C CG . PHE A 1 13 ? 4.914 -1.110 2.713 1.00 95.89 13 A 1 ATOM 97 C CD1 . PHE A 1 13 ? 5.936 -0.496 3.419 1.00 92.75 13 A 1 ATOM 98 C CD2 . PHE A 1 13 ? 5.160 -2.327 2.095 1.00 93.38 13 A 1 ATOM 99 C CE1 . PHE A 1 13 ? 7.189 -1.085 3.512 1.00 91.92 13 A 1 ATOM 100 C CE2 . PHE A 1 13 ? 6.418 -2.919 2.181 1.00 92.18 13 A 1 ATOM 101 C CZ . PHE A 1 13 ? 7.429 -2.298 2.889 1.00 91.99 13 A 1 ATOM 102 N N . LEU A 1 14 ? 3.213 -0.366 -0.484 1.00 98.21 14 A 1 ATOM 103 C CA . LEU A 1 14 ? 3.584 -0.801 -1.828 1.00 98.07 14 A 1 ATOM 104 C C . LEU A 1 14 ? 3.830 0.393 -2.741 1.00 97.86 14 A 1 ATOM 105 O O . LEU A 1 14 ? 4.775 0.405 -3.529 1.00 97.23 14 A 1 ATOM 106 C CB . LEU A 1 14 ? 2.483 -1.691 -2.417 1.00 97.84 14 A 1 ATOM 107 C CG . LEU A 1 14 ? 2.336 -3.054 -1.745 1.00 95.37 14 A 1 ATOM 108 C CD1 . LEU A 1 14 ? 1.130 -3.793 -2.307 1.00 92.70 14 A 1 ATOM 109 C CD2 . LEU A 1 14 ? 3.595 -3.892 -1.930 1.00 92.42 14 A 1 ATOM 110 N N . TRP A 1 15 ? 2.976 1.404 -2.626 1.00 98.15 15 A 1 ATOM 111 C CA . TRP A 1 15 ? 3.125 2.627 -3.412 1.00 98.00 15 A 1 ATOM 112 C C . TRP A 1 15 ? 4.438 3.329 -3.074 1.00 98.07 15 A 1 ATOM 113 O O . TRP A 1 15 ? 5.176 3.744 -3.969 1.00 97.61 15 A 1 ATOM 114 C CB . TRP A 1 15 ? 1.942 3.562 -3.161 1.00 97.69 15 A 1 ATOM 115 C CG . TRP A 1 15 ? 2.043 4.845 -3.919 1.00 95.48 15 A 1 ATOM 116 C CD1 . TRP A 1 15 ? 1.686 5.050 -5.214 1.00 90.20 15 A 1 ATOM 117 C CD2 . TRP A 1 15 ? 2.561 6.096 -3.443 1.00 92.72 15 A 1 ATOM 118 N NE1 . TRP A 1 15 ? 1.955 6.348 -5.573 1.00 89.53 15 A 1 ATOM 119 C CE2 . TRP A 1 15 ? 2.489 7.025 -4.513 1.00 92.45 15 A 1 ATOM 120 C CE3 . TRP A 1 15 ? 3.087 6.528 -2.220 1.00 89.20 15 A 1 ATOM 121 C CZ2 . TRP A 1 15 ? 2.922 8.348 -4.377 1.00 90.23 15 A 1 ATOM 122 C CZ3 . TRP A 1 15 ? 3.520 7.851 -2.085 1.00 85.64 15 A 1 ATOM 123 C CH2 . TRP A 1 15 ? 3.432 8.747 -3.159 1.00 85.63 15 A 1 ATOM 124 N N . SER A 1 16 ? 4.733 3.447 -1.797 1.00 98.26 16 A 1 ATOM 125 C CA . SER A 1 16 ? 5.961 4.086 -1.343 1.00 98.15 16 A 1 ATOM 126 C C . SER A 1 16 ? 7.190 3.316 -1.817 1.00 98.15 16 A 1 ATOM 127 O O . SER A 1 16 ? 8.178 3.910 -2.252 1.00 97.32 16 A 1 ATOM 128 C CB . SER A 1 16 ? 5.971 4.193 0.179 1.00 97.52 16 A 1 ATOM 129 O OG . SER A 1 16 ? 7.123 4.884 0.614 1.00 89.19 16 A 1 ATOM 130 N N . LEU A 1 17 ? 7.122 1.997 -1.749 1.00 98.05 17 A 1 ATOM 131 C CA . LEU A 1 17 ? 8.218 1.128 -2.170 1.00 97.79 17 A 1 ATOM 132 C C . LEU A 1 17 ? 8.465 1.256 -3.670 1.00 97.65 17 A 1 ATOM 133 O O . LEU A 1 17 ? 9.613 1.320 -4.118 1.00 97.01 17 A 1 ATOM 134 C CB . LEU A 1 17 ? 7.902 -0.323 -1.776 1.00 97.40 17 A 1 ATOM 135 C CG . LEU A 1 17 ? 9.069 -1.308 -1.925 1.00 95.68 17 A 1 ATOM 136 C CD1 . LEU A 1 17 ? 8.901 -2.466 -0.947 1.00 92.92 17 A 1 ATOM 137 C CD2 . LEU A 1 17 ? 9.155 -1.855 -3.340 1.00 92.25 17 A 1 ATOM 138 N N . SER A 1 18 ? 7.387 1.307 -4.449 1.00 97.67 18 A 1 ATOM 139 C CA . SER A 1 18 ? 7.484 1.434 -5.902 1.00 97.46 18 A 1 ATOM 140 C C . SER A 1 18 ? 7.999 2.808 -6.308 1.00 97.00 18 A 1 ATOM 141 O O . SER A 1 18 ? 8.759 2.944 -7.265 1.00 95.23 18 A 1 ATOM 142 C CB . SER A 1 18 ? 6.120 1.183 -6.545 1.00 95.96 18 A 1 ATOM 143 O OG . SER A 1 18 ? 6.224 1.241 -7.957 1.00 84.48 18 A 1 ATOM 144 N N . GLU A 1 19 ? 7.569 3.825 -5.582 1.00 96.01 19 A 1 ATOM 145 C CA . GLU A 1 19 ? 7.956 5.205 -5.871 1.00 95.02 19 A 1 ATOM 146 C C . GLU A 1 19 ? 9.410 5.470 -5.490 1.00 93.49 19 A 1 ATOM 147 O O . GLU A 1 19 ? 10.083 6.290 -6.120 1.00 87.58 19 A 1 ATOM 148 C CB . GLU A 1 19 ? 7.029 6.169 -5.118 1.00 92.31 19 A 1 ATOM 149 C CG . GLU A 1 19 ? 7.225 7.633 -5.484 1.00 85.82 19 A 1 ATOM 150 C CD . GLU A 1 19 ? 6.774 7.931 -6.905 1.00 82.80 19 A 1 ATOM 151 O OE1 . GLU A 1 19 ? 6.028 7.126 -7.486 1.00 74.92 19 A 1 ATOM 152 O OE2 . GLU A 1 19 ? 7.170 8.983 -7.435 1.00 76.90 19 A 1 ATOM 153 N N . ALA A 1 20 ? 9.880 4.782 -4.472 1.00 93.36 20 A 1 ATOM 154 C CA . ALA A 1 20 ? 11.247 4.938 -3.976 1.00 91.84 20 A 1 ATOM 155 C C . ALA A 1 20 ? 12.260 4.402 -4.989 1.00 87.70 20 A 1 ATOM 156 O O . ALA A 1 20 ? 13.283 5.062 -5.220 1.00 80.78 20 A 1 ATOM 157 C CB . ALA A 1 20 ? 11.406 4.227 -2.634 1.00 87.31 20 A 1 ATOM 158 O OXT . ALA A 1 20 ? 12.040 3.336 -5.551 1.00 77.04 20 A 1 #