# 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_spkb07890 # _entry.id spkb07890 # 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" "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" "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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "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 ILE 2 1 n LEU 3 1 n ARG 4 1 n TYR 5 1 n LEU 6 1 n ILE 7 1 n PHE 8 1 n PHE 9 1 n ALA 10 1 n GLN 11 1 n LEU 12 1 n TRP 13 1 n ALA 14 1 n LEU 15 1 n CYS 16 1 n LEU 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 @ 2025-07-03 03:32:20)" _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 94.37 _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 88.23 1 1 A ILE 2 2 91.60 1 2 A LEU 3 2 94.73 1 3 A ARG 4 2 90.07 1 4 A TYR 5 2 94.88 1 5 A LEU 6 2 95.71 1 6 A ILE 7 2 97.12 1 7 A PHE 8 2 96.28 1 8 A PHE 9 2 95.59 1 9 A ALA 10 2 98.36 1 10 A GLN 11 2 94.23 1 11 A LEU 12 2 96.00 1 12 A TRP 13 2 93.09 1 13 A ALA 14 2 98.35 1 14 A LEU 15 2 96.53 1 15 A CYS 16 2 97.50 1 16 A LEU 17 2 93.97 1 17 A ALA 18 2 90.33 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 ILE . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n GLN . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n CYS . 16 A 16 A 17 1 n LEU . 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 ? -10.030 -4.716 6.803 1.00 93.54 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.759 -4.336 5.403 1.00 94.75 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.252 -4.242 5.159 1.00 95.83 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.629 -3.233 5.476 1.00 94.05 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.416 -2.996 5.094 1.00 90.01 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.927 -3.096 5.054 1.00 82.44 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.702 -1.558 5.535 1.00 81.63 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.295 -2.134 6.076 1.00 73.59 1 A 1 ATOM 9 N N . ILE A 1 2 ? -7.706 -5.286 4.608 1.00 94.23 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -6.273 -5.347 4.329 1.00 95.74 2 A 1 ATOM 11 C C . ILE A 1 2 ? -5.925 -4.739 2.970 1.00 97.05 2 A 1 ATOM 12 O O . ILE A 1 2 ? -4.790 -4.314 2.743 1.00 96.41 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -5.790 -6.805 4.385 1.00 94.34 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -6.678 -7.710 3.535 1.00 87.43 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -5.740 -7.282 5.829 1.00 86.44 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -5.953 -8.939 3.061 1.00 81.14 2 A 1 ATOM 17 N N . LEU A 1 3 ? -6.898 -4.724 2.070 1.00 97.35 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -6.677 -4.172 0.731 1.00 97.52 3 A 1 ATOM 19 C C . LEU A 1 3 ? -6.297 -2.697 0.801 1.00 97.80 3 A 1 ATOM 20 O O . LEU A 1 3 ? -5.424 -2.229 0.066 1.00 97.30 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -7.937 -4.357 -0.121 1.00 97.37 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -7.775 -5.323 -1.287 1.00 92.94 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -9.129 -5.863 -1.725 1.00 89.08 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -7.085 -4.637 -2.450 1.00 88.48 3 A 1 ATOM 25 N N . ARG A 1 4 ? -6.937 -1.974 1.700 1.00 97.59 4 A 1 ATOM 26 C CA . ARG A 1 4 ? -6.650 -0.547 1.880 1.00 97.75 4 A 1 ATOM 27 C C . ARG A 1 4 ? -5.276 -0.327 2.503 1.00 98.04 4 A 1 ATOM 28 O O . ARG A 1 4 ? -4.668 0.723 2.312 1.00 97.66 4 A 1 ATOM 29 C CB . ARG A 1 4 ? -7.723 0.092 2.759 1.00 97.23 4 A 1 ATOM 30 C CG . ARG A 1 4 ? -8.529 1.140 2.016 1.00 92.53 4 A 1 ATOM 31 C CD . ARG A 1 4 ? -7.939 2.526 2.221 1.00 90.68 4 A 1 ATOM 32 N NE . ARG A 1 4 ? -8.912 3.575 1.904 1.00 85.57 4 A 1 ATOM 33 C CZ . ARG A 1 4 ? -9.954 3.842 2.685 1.00 82.00 4 A 1 ATOM 34 N NH1 . ARG A 1 4 ? -10.175 3.144 3.790 1.00 75.66 4 A 1 ATOM 35 N NH2 . ARG A 1 4 ? -10.793 4.801 2.352 1.00 76.03 4 A 1 ATOM 36 N N . TYR A 1 5 ? -4.802 -1.309 3.221 1.00 98.20 5 A 1 ATOM 37 C CA . TYR A 1 5 ? -3.487 -1.226 3.848 1.00 98.27 5 A 1 ATOM 38 C C . TYR A 1 5 ? -2.392 -1.049 2.801 1.00 98.36 5 A 1 ATOM 39 O O . TYR A 1 5 ? -1.479 -0.241 2.968 1.00 98.08 5 A 1 ATOM 40 C CB . TYR A 1 5 ? -3.209 -2.494 4.655 1.00 98.02 5 A 1 ATOM 41 C CG . TYR A 1 5 ? -3.574 -2.342 6.119 1.00 95.77 5 A 1 ATOM 42 C CD1 . TYR A 1 5 ? -3.489 -1.109 6.752 1.00 92.89 5 A 1 ATOM 43 C CD2 . TYR A 1 5 ? -3.978 -3.442 6.861 1.00 93.12 5 A 1 ATOM 44 C CE1 . TYR A 1 5 ? -3.809 -0.970 8.091 1.00 91.39 5 A 1 ATOM 45 C CE2 . TYR A 1 5 ? -4.296 -3.312 8.205 1.00 92.02 5 A 1 ATOM 46 C CZ . TYR A 1 5 ? -4.211 -2.076 8.812 1.00 92.12 5 A 1 ATOM 47 O OH . TYR A 1 5 ? -4.525 -1.943 10.139 1.00 90.28 5 A 1 ATOM 48 N N . LEU A 1 6 ? -2.494 -1.800 1.727 1.00 98.24 6 A 1 ATOM 49 C CA . LEU A 1 6 ? -1.506 -1.735 0.654 1.00 98.21 6 A 1 ATOM 50 C C . LEU A 1 6 ? -1.510 -0.366 -0.018 1.00 98.38 6 A 1 ATOM 51 O O . LEU A 1 6 ? -0.459 0.148 -0.401 1.00 98.24 6 A 1 ATOM 52 C CB . LEU A 1 6 ? -1.793 -2.820 -0.383 1.00 98.04 6 A 1 ATOM 53 C CG . LEU A 1 6 ? -1.547 -4.241 0.103 1.00 93.47 6 A 1 ATOM 54 C CD1 . LEU A 1 6 ? -2.153 -5.244 -0.863 1.00 90.41 6 A 1 ATOM 55 C CD2 . LEU A 1 6 ? -0.055 -4.499 0.262 1.00 90.72 6 A 1 ATOM 56 N N . ILE A 1 7 ? -2.677 0.204 -0.156 1.00 98.43 7 A 1 ATOM 57 C CA . ILE A 1 7 ? -2.813 1.516 -0.787 1.00 98.33 7 A 1 ATOM 58 C C . ILE A 1 7 ? -2.236 2.611 0.109 1.00 98.34 7 A 1 ATOM 59 O O . ILE A 1 7 ? -1.532 3.509 -0.359 1.00 98.23 7 A 1 ATOM 60 C CB . ILE A 1 7 ? -4.290 1.818 -1.110 1.00 98.22 7 A 1 ATOM 61 C CG1 . ILE A 1 7 ? -4.887 0.750 -2.025 1.00 96.84 7 A 1 ATOM 62 C CG2 . ILE A 1 7 ? -4.410 3.191 -1.772 1.00 96.42 7 A 1 ATOM 63 C CD1 . ILE A 1 7 ? -6.399 0.759 -2.025 1.00 92.14 7 A 1 ATOM 64 N N . PHE A 1 8 ? -2.547 2.527 1.375 1.00 98.25 8 A 1 ATOM 65 C CA . PHE A 1 8 ? -2.061 3.511 2.340 1.00 98.21 8 A 1 ATOM 66 C C . PHE A 1 8 ? -0.559 3.380 2.555 1.00 98.31 8 A 1 ATOM 67 O O . PHE A 1 8 ? 0.156 4.374 2.670 1.00 98.21 8 A 1 ATOM 68 C CB . PHE A 1 8 ? -2.798 3.321 3.661 1.00 98.08 8 A 1 ATOM 69 C CG . PHE A 1 8 ? -3.209 4.629 4.287 1.00 96.95 8 A 1 ATOM 70 C CD1 . PHE A 1 8 ? -4.065 5.490 3.621 1.00 94.74 8 A 1 ATOM 71 C CD2 . PHE A 1 8 ? -2.739 4.980 5.541 1.00 95.11 8 A 1 ATOM 72 C CE1 . PHE A 1 8 ? -4.444 6.691 4.196 1.00 93.65 8 A 1 ATOM 73 C CE2 . PHE A 1 8 ? -3.117 6.182 6.122 1.00 93.81 8 A 1 ATOM 74 C CZ . PHE A 1 8 ? -3.970 7.039 5.449 1.00 93.79 8 A 1 ATOM 75 N N . PHE A 1 9 ? -0.106 2.151 2.604 1.00 98.25 9 A 1 ATOM 76 C CA . PHE A 1 9 ? 1.312 1.874 2.807 1.00 98.20 9 A 1 ATOM 77 C C . PHE A 1 9 ? 2.118 2.136 1.541 1.00 98.30 9 A 1 ATOM 78 O O . PHE A 1 9 ? 3.276 2.543 1.606 1.00 98.12 9 A 1 ATOM 79 C CB . PHE A 1 9 ? 1.493 0.425 3.251 1.00 97.93 9 A 1 ATOM 80 C CG . PHE A 1 9 ? 2.497 0.283 4.360 1.00 95.96 9 A 1 ATOM 81 C CD1 . PHE A 1 9 ? 2.305 0.927 5.570 1.00 93.23 9 A 1 ATOM 82 C CD2 . PHE A 1 9 ? 3.624 -0.498 4.184 1.00 93.74 9 A 1 ATOM 83 C CE1 . PHE A 1 9 ? 3.228 0.799 6.588 1.00 92.54 9 A 1 ATOM 84 C CE2 . PHE A 1 9 ? 4.550 -0.630 5.203 1.00 92.61 9 A 1 ATOM 85 C CZ . PHE A 1 9 ? 4.352 0.020 6.406 1.00 92.66 9 A 1 ATOM 86 N N . ALA A 1 10 ? 1.521 1.884 0.405 1.00 98.43 10 A 1 ATOM 87 C CA . ALA A 1 10 ? 2.194 2.076 -0.880 1.00 98.42 10 A 1 ATOM 88 C C . ALA A 1 10 ? 2.524 3.547 -1.124 1.00 98.47 10 A 1 ATOM 89 O O . ALA A 1 10 ? 3.594 3.874 -1.632 1.00 98.22 10 A 1 ATOM 90 C CB . ALA A 1 10 ? 1.321 1.545 -2.009 1.00 98.26 10 A 1 ATOM 91 N N . GLN A 1 11 ? 1.612 4.419 -0.761 1.00 98.39 11 A 1 ATOM 92 C CA . GLN A 1 11 ? 1.815 5.853 -0.960 1.00 98.36 11 A 1 ATOM 93 C C . GLN A 1 11 ? 2.888 6.396 -0.020 1.00 98.48 11 A 1 ATOM 94 O O . GLN A 1 11 ? 3.732 7.191 -0.427 1.00 98.16 11 A 1 ATOM 95 C CB . GLN A 1 11 ? 0.505 6.604 -0.739 1.00 98.12 11 A 1 ATOM 96 C CG . GLN A 1 11 ? -0.323 6.697 -2.013 1.00 95.01 11 A 1 ATOM 97 C CD . GLN A 1 11 ? -1.445 7.707 -1.871 1.00 91.24 11 A 1 ATOM 98 O OE1 . GLN A 1 11 ? -1.660 8.275 -0.801 1.00 86.14 11 A 1 ATOM 99 N NE2 . GLN A 1 11 ? -2.173 7.954 -2.943 1.00 84.17 11 A 1 ATOM 100 N N . LEU A 1 12 ? 2.841 5.966 1.206 1.00 97.95 12 A 1 ATOM 101 C CA . LEU A 1 12 ? 3.826 6.406 2.187 1.00 97.85 12 A 1 ATOM 102 C C . LEU A 1 12 ? 5.185 5.777 1.931 1.00 97.97 12 A 1 ATOM 103 O O . LEU A 1 12 ? 6.223 6.413 2.111 1.00 97.73 12 A 1 ATOM 104 C CB . LEU A 1 12 ? 3.342 6.049 3.591 1.00 97.58 12 A 1 ATOM 105 C CG . LEU A 1 12 ? 3.078 7.258 4.473 1.00 94.72 12 A 1 ATOM 106 C CD1 . LEU A 1 12 ? 2.103 6.916 5.576 1.00 92.00 12 A 1 ATOM 107 C CD2 . LEU A 1 12 ? 4.381 7.774 5.061 1.00 92.23 12 A 1 ATOM 108 N N . TRP A 1 13 ? 5.175 4.523 1.516 1.00 97.76 13 A 1 ATOM 109 C CA . TRP A 1 13 ? 6.408 3.792 1.240 1.00 97.41 13 A 1 ATOM 110 C C . TRP A 1 13 ? 7.112 4.357 0.012 1.00 97.75 13 A 1 ATOM 111 O O . TRP A 1 13 ? 8.331 4.503 -0.002 1.00 97.50 13 A 1 ATOM 112 C CB . TRP A 1 13 ? 6.087 2.303 1.048 1.00 96.88 13 A 1 ATOM 113 C CG . TRP A 1 13 ? 7.305 1.444 0.904 1.00 94.62 13 A 1 ATOM 114 C CD1 . TRP A 1 13 ? 7.447 0.393 0.051 1.00 91.00 13 A 1 ATOM 115 C CD2 . TRP A 1 13 ? 8.546 1.538 1.619 1.00 93.02 13 A 1 ATOM 116 N NE1 . TRP A 1 13 ? 8.693 -0.165 0.198 1.00 89.15 13 A 1 ATOM 117 C CE2 . TRP A 1 13 ? 9.393 0.517 1.148 1.00 91.99 13 A 1 ATOM 118 C CE3 . TRP A 1 13 ? 9.030 2.391 2.611 1.00 89.55 13 A 1 ATOM 119 C CZ2 . TRP A 1 13 ? 10.686 0.335 1.643 1.00 91.02 13 A 1 ATOM 120 C CZ3 . TRP A 1 13 ? 10.316 2.213 3.104 1.00 87.52 13 A 1 ATOM 121 C CH2 . TRP A 1 13 ? 11.131 1.191 2.615 1.00 88.07 13 A 1 ATOM 122 N N . ALA A 1 14 ? 6.338 4.674 -1.010 1.00 98.53 14 A 1 ATOM 123 C CA . ALA A 1 14 ? 6.899 5.215 -2.245 1.00 98.48 14 A 1 ATOM 124 C C . ALA A 1 14 ? 7.437 6.629 -2.040 1.00 98.53 14 A 1 ATOM 125 O O . ALA A 1 14 ? 8.450 7.005 -2.627 1.00 98.11 14 A 1 ATOM 126 C CB . ALA A 1 14 ? 5.841 5.209 -3.340 1.00 98.10 14 A 1 ATOM 127 N N . LEU A 1 15 ? 6.768 7.398 -1.215 1.00 98.45 15 A 1 ATOM 128 C CA . LEU A 1 15 ? 7.180 8.769 -0.938 1.00 98.26 15 A 1 ATOM 129 C C . LEU A 1 15 ? 8.404 8.813 -0.037 1.00 98.33 15 A 1 ATOM 130 O O . LEU A 1 15 ? 9.310 9.617 -0.249 1.00 97.78 15 A 1 ATOM 131 C CB . LEU A 1 15 ? 6.026 9.531 -0.286 1.00 97.90 15 A 1 ATOM 132 C CG . LEU A 1 15 ? 6.129 11.040 -0.427 1.00 95.99 15 A 1 ATOM 133 C CD1 . LEU A 1 15 ? 5.722 11.467 -1.830 1.00 92.78 15 A 1 ATOM 134 C CD2 . LEU A 1 15 ? 5.269 11.728 0.607 1.00 92.76 15 A 1 ATOM 135 N N . CYS A 1 16 ? 8.431 7.972 0.949 1.00 98.43 16 A 1 ATOM 136 C CA . CYS A 1 16 ? 9.551 7.904 1.880 1.00 98.29 16 A 1 ATOM 137 C C . CYS A 1 16 ? 10.788 7.296 1.228 1.00 98.32 16 A 1 ATOM 138 O O . CYS A 1 16 ? 11.912 7.678 1.543 1.00 97.66 16 A 1 ATOM 139 C CB . CYS A 1 16 ? 9.159 7.083 3.110 1.00 97.78 16 A 1 ATOM 140 S SG . CYS A 1 16 ? 8.451 8.106 4.415 1.00 94.51 16 A 1 ATOM 141 N N . LEU A 1 17 ? 10.569 6.348 0.349 1.00 97.13 17 A 1 ATOM 142 C CA . LEU A 1 17 ? 11.666 5.677 -0.340 1.00 96.66 17 A 1 ATOM 143 C C . LEU A 1 17 ? 12.309 6.586 -1.378 1.00 96.63 17 A 1 ATOM 144 O O . LEU A 1 17 ? 13.529 6.575 -1.555 1.00 95.19 17 A 1 ATOM 145 C CB . LEU A 1 17 ? 11.155 4.399 -1.009 1.00 95.58 17 A 1 ATOM 146 C CG . LEU A 1 17 ? 12.240 3.397 -1.365 1.00 93.33 17 A 1 ATOM 147 C CD1 . LEU A 1 17 ? 12.680 2.627 -0.131 1.00 89.63 17 A 1 ATOM 148 C CD2 . LEU A 1 17 ? 11.756 2.446 -2.438 1.00 87.61 17 A 1 ATOM 149 N N . ALA A 1 18 ? 11.496 7.366 -2.061 1.00 95.85 18 A 1 ATOM 150 C CA . ALA A 1 18 ? 11.972 8.266 -3.098 1.00 94.10 18 A 1 ATOM 151 C C . ALA A 1 18 ? 12.620 9.518 -2.513 1.00 92.46 18 A 1 ATOM 152 O O . ALA A 1 18 ? 12.375 9.837 -1.339 1.00 87.20 18 A 1 ATOM 153 C CB . ALA A 1 18 ? 10.831 8.636 -4.033 1.00 90.66 18 A 1 ATOM 154 O OXT . ALA A 1 18 ? 13.349 10.202 -3.225 1.00 81.71 18 A 1 #