# 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_spkb30534 # _entry.id spkb30534 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 PRO 3 1 n GLN 4 1 n ASN 5 1 n LEU 6 1 n SER 7 1 n THR 8 1 n PHE 9 1 n CYS 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n TYR 15 1 n LEU 16 1 n ILE 17 1 n GLY 18 1 n ALA 19 1 n VAL 20 1 n ILE 21 1 n ALA 22 # _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 @ 2025-07-13 04:52:42)" _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 90.45 _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 76.07 1 1 A ALA 2 2 84.19 1 2 A PRO 3 2 86.56 1 3 A GLN 4 2 82.31 1 4 A ASN 5 2 87.12 1 5 A LEU 6 2 90.08 1 6 A SER 7 2 92.96 1 7 A THR 8 2 92.60 1 8 A PHE 9 2 91.72 1 9 A CYS 10 2 94.66 1 10 A LEU 11 2 92.81 1 11 A LEU 12 2 92.17 1 12 A LEU 13 2 92.59 1 13 A LEU 14 2 93.64 1 14 A TYR 15 2 91.91 1 15 A LEU 16 2 93.53 1 16 A ILE 17 2 95.32 1 17 A GLY 18 2 96.25 1 18 A ALA 19 2 95.68 1 19 A VAL 20 2 93.54 1 20 A ILE 21 2 91.33 1 21 A ALA 22 2 85.92 1 22 # _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 ASN . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n TYR . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n ILE . 21 A 21 A 22 1 n ALA . 22 A 22 # _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 ? 3.741 -14.486 0.205 1.00 83.31 1 A 1 ATOM 2 C CA . MET A 1 1 ? 3.764 -13.652 1.423 1.00 83.45 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.505 -13.906 2.233 1.00 84.70 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.504 -14.334 1.666 1.00 79.59 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.895 -12.165 1.082 1.00 77.08 1 A 1 ATOM 6 C CG . MET A 1 1 ? 5.334 -11.796 0.713 1.00 72.18 1 A 1 ATOM 7 S SD . MET A 1 1 ? 5.484 -10.056 0.242 1.00 66.42 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.270 -9.863 0.270 1.00 61.81 1 A 1 ATOM 9 N N . ALA A 1 2 ? 2.543 -13.673 3.532 1.00 83.05 2 A 1 ATOM 10 C CA . ALA A 1 2 ? 1.368 -13.840 4.382 1.00 85.45 2 A 1 ATOM 11 C C . ALA A 1 2 ? 0.242 -12.878 3.948 1.00 87.25 2 A 1 ATOM 12 O O . ALA A 1 2 ? 0.535 -11.762 3.508 1.00 85.37 2 A 1 ATOM 13 C CB . ALA A 1 2 ? 1.778 -13.615 5.837 1.00 79.82 2 A 1 ATOM 14 N N . PRO A 1 3 ? -1.039 -13.275 4.090 1.00 87.31 3 A 1 ATOM 15 C CA . PRO A 1 3 ? -2.178 -12.439 3.675 1.00 89.70 3 A 1 ATOM 16 C C . PRO A 1 3 ? -2.193 -11.083 4.387 1.00 91.56 3 A 1 ATOM 17 O O . PRO A 1 3 ? -2.587 -10.079 3.795 1.00 87.73 3 A 1 ATOM 18 C CB . PRO A 1 3 ? -3.422 -13.281 4.002 1.00 84.74 3 A 1 ATOM 19 C CG . PRO A 1 3 ? -2.946 -14.286 5.038 1.00 81.06 3 A 1 ATOM 20 C CD . PRO A 1 3 ? -1.497 -14.531 4.658 1.00 83.85 3 A 1 ATOM 21 N N . GLN A 1 4 ? -1.707 -11.040 5.621 1.00 90.42 4 A 1 ATOM 22 C CA . GLN A 1 4 ? -1.572 -9.795 6.381 1.00 91.95 4 A 1 ATOM 23 C C . GLN A 1 4 ? -0.618 -8.811 5.700 1.00 92.28 4 A 1 ATOM 24 O O . GLN A 1 4 ? -0.899 -7.614 5.629 1.00 90.16 4 A 1 ATOM 25 C CB . GLN A 1 4 ? -1.086 -10.142 7.799 1.00 88.55 4 A 1 ATOM 26 C CG . GLN A 1 4 ? -1.060 -8.919 8.720 1.00 78.95 4 A 1 ATOM 27 C CD . GLN A 1 4 ? -2.447 -8.337 8.966 1.00 74.58 4 A 1 ATOM 28 O OE1 . GLN A 1 4 ? -3.448 -9.027 8.936 1.00 69.21 4 A 1 ATOM 29 N NE2 . GLN A 1 4 ? -2.543 -7.052 9.212 1.00 64.67 4 A 1 ATOM 30 N N . ASN A 1 5 ? 0.507 -9.298 5.176 1.00 90.48 5 A 1 ATOM 31 C CA . ASN A 1 5 ? 1.507 -8.461 4.511 1.00 92.90 5 A 1 ATOM 32 C C . ASN A 1 5 ? 0.965 -7.891 3.199 1.00 93.91 5 A 1 ATOM 33 O O . ASN A 1 5 ? 1.142 -6.709 2.916 1.00 93.22 5 A 1 ATOM 34 C CB . ASN A 1 5 ? 2.784 -9.283 4.291 1.00 90.51 5 A 1 ATOM 35 C CG . ASN A 1 5 ? 3.967 -8.377 4.043 1.00 83.32 5 A 1 ATOM 36 O OD1 . ASN A 1 5 ? 4.645 -7.976 4.960 1.00 77.06 5 A 1 ATOM 37 N ND2 . ASN A 1 5 ? 4.236 -8.027 2.803 1.00 75.58 5 A 1 ATOM 38 N N . LEU A 1 6 ? 0.250 -8.711 2.406 1.00 94.43 6 A 1 ATOM 39 C CA . LEU A 1 6 ? -0.420 -8.259 1.186 1.00 94.35 6 A 1 ATOM 40 C C . LEU A 1 6 ? -1.496 -7.215 1.493 1.00 95.08 6 A 1 ATOM 41 O O . LEU A 1 6 ? -1.579 -6.203 0.798 1.00 95.05 6 A 1 ATOM 42 C CB . LEU A 1 6 ? -1.042 -9.450 0.441 1.00 93.63 6 A 1 ATOM 43 C CG . LEU A 1 6 ? -0.297 -9.776 -0.856 1.00 86.45 6 A 1 ATOM 44 C CD1 . LEU A 1 6 ? 0.659 -10.943 -0.663 1.00 81.19 6 A 1 ATOM 45 C CD2 . LEU A 1 6 ? -1.287 -10.117 -1.965 1.00 80.48 6 A 1 ATOM 46 N N . SER A 1 7 ? -2.291 -7.439 2.528 1.00 94.38 7 A 1 ATOM 47 C CA . SER A 1 7 ? -3.339 -6.506 2.948 1.00 95.04 7 A 1 ATOM 48 C C . SER A 1 7 ? -2.748 -5.158 3.362 1.00 95.81 7 A 1 ATOM 49 O O . SER A 1 7 ? -3.208 -4.116 2.902 1.00 95.48 7 A 1 ATOM 50 C CB . SER A 1 7 ? -4.145 -7.116 4.093 1.00 93.94 7 A 1 ATOM 51 O OG . SER A 1 7 ? -5.208 -6.258 4.433 1.00 83.11 7 A 1 ATOM 52 N N . THR A 1 8 ? -1.682 -5.173 4.155 1.00 94.31 8 A 1 ATOM 53 C CA . THR A 1 8 ? -0.985 -3.951 4.582 1.00 94.87 8 A 1 ATOM 54 C C . THR A 1 8 ? -0.413 -3.193 3.384 1.00 95.61 8 A 1 ATOM 55 O O . THR A 1 8 ? -0.573 -1.978 3.289 1.00 95.23 8 A 1 ATOM 56 C CB . THR A 1 8 ? 0.137 -4.289 5.566 1.00 93.98 8 A 1 ATOM 57 O OG1 . THR A 1 8 ? -0.385 -5.007 6.665 1.00 88.33 8 A 1 ATOM 58 C CG2 . THR A 1 8 ? 0.807 -3.040 6.125 1.00 85.86 8 A 1 ATOM 59 N N . PHE A 1 9 ? 0.207 -3.898 2.436 1.00 93.41 9 A 1 ATOM 60 C CA . PHE A 1 9 ? 0.752 -3.279 1.230 1.00 93.24 9 A 1 ATOM 61 C C . PHE A 1 9 ? -0.355 -2.688 0.344 1.00 94.87 9 A 1 ATOM 62 O O . PHE A 1 9 ? -0.203 -1.587 -0.178 1.00 95.30 9 A 1 ATOM 63 C CB . PHE A 1 9 ? 1.588 -4.313 0.475 1.00 93.04 9 A 1 ATOM 64 C CG . PHE A 1 9 ? 2.459 -3.684 -0.585 1.00 92.24 9 A 1 ATOM 65 C CD1 . PHE A 1 9 ? 2.092 -3.741 -1.936 1.00 89.40 9 A 1 ATOM 66 C CD2 . PHE A 1 9 ? 3.635 -3.026 -0.209 1.00 90.24 9 A 1 ATOM 67 C CE1 . PHE A 1 9 ? 2.898 -3.145 -2.912 1.00 89.35 9 A 1 ATOM 68 C CE2 . PHE A 1 9 ? 4.442 -2.424 -1.182 1.00 89.04 9 A 1 ATOM 69 C CZ . PHE A 1 9 ? 4.076 -2.483 -2.535 1.00 88.82 9 A 1 ATOM 70 N N . CYS A 1 10 ? -1.485 -3.375 0.230 1.00 94.77 10 A 1 ATOM 71 C CA . CYS A 1 10 ? -2.648 -2.870 -0.503 1.00 95.49 10 A 1 ATOM 72 C C . CYS A 1 10 ? -3.193 -1.577 0.125 1.00 96.16 10 A 1 ATOM 73 O O . CYS A 1 10 ? -3.475 -0.618 -0.587 1.00 95.87 10 A 1 ATOM 74 C CB . CYS A 1 10 ? -3.717 -3.974 -0.545 1.00 95.17 10 A 1 ATOM 75 S SG . CYS A 1 10 ? -5.076 -3.486 -1.630 1.00 90.52 10 A 1 ATOM 76 N N . LEU A 1 11 ? -3.277 -1.523 1.447 1.00 95.20 11 A 1 ATOM 77 C CA . LEU A 1 11 ? -3.698 -0.319 2.165 1.00 95.19 11 A 1 ATOM 78 C C . LEU A 1 11 ? -2.728 0.844 1.937 1.00 95.98 11 A 1 ATOM 79 O O . LEU A 1 11 ? -3.173 1.973 1.733 1.00 96.10 11 A 1 ATOM 80 C CB . LEU A 1 11 ? -3.821 -0.629 3.661 1.00 94.82 11 A 1 ATOM 81 C CG . LEU A 1 11 ? -5.010 -1.530 4.015 1.00 89.72 11 A 1 ATOM 82 C CD1 . LEU A 1 11 ? -4.906 -1.965 5.470 1.00 87.73 11 A 1 ATOM 83 C CD2 . LEU A 1 11 ? -6.342 -0.805 3.814 1.00 87.77 11 A 1 ATOM 84 N N . LEU A 1 12 ? -1.428 0.571 1.914 1.00 95.08 12 A 1 ATOM 85 C CA . LEU A 1 12 ? -0.415 1.584 1.608 1.00 94.82 12 A 1 ATOM 86 C C . LEU A 1 12 ? -0.569 2.124 0.181 1.00 95.88 12 A 1 ATOM 87 O O . LEU A 1 12 ? -0.471 3.333 -0.023 1.00 96.32 12 A 1 ATOM 88 C CB . LEU A 1 12 ? 0.986 0.996 1.807 1.00 94.66 12 A 1 ATOM 89 C CG . LEU A 1 12 ? 1.371 0.765 3.273 1.00 88.22 12 A 1 ATOM 90 C CD1 . LEU A 1 12 ? 2.672 -0.030 3.343 1.00 85.84 12 A 1 ATOM 91 C CD2 . LEU A 1 12 ? 1.560 2.083 4.021 1.00 86.57 12 A 1 ATOM 92 N N . LEU A 1 13 ? -0.853 1.260 -0.792 1.00 95.25 13 A 1 ATOM 93 C CA . LEU A 1 13 ? -1.102 1.685 -2.171 1.00 95.39 13 A 1 ATOM 94 C C . LEU A 1 13 ? -2.357 2.560 -2.272 1.00 96.09 13 A 1 ATOM 95 O O . LEU A 1 13 ? -2.324 3.607 -2.917 1.00 96.44 13 A 1 ATOM 96 C CB . LEU A 1 13 ? -1.239 0.454 -3.076 1.00 94.99 13 A 1 ATOM 97 C CG . LEU A 1 13 ? 0.079 -0.283 -3.346 1.00 88.67 13 A 1 ATOM 98 C CD1 . LEU A 1 13 ? -0.219 -1.584 -4.090 1.00 86.53 13 A 1 ATOM 99 C CD2 . LEU A 1 13 ? 1.039 0.556 -4.187 1.00 87.34 13 A 1 ATOM 100 N N . LEU A 1 14 ? -3.444 2.176 -1.605 1.00 95.64 14 A 1 ATOM 101 C CA . LEU A 1 14 ? -4.671 2.969 -1.566 1.00 95.67 14 A 1 ATOM 102 C C . LEU A 1 14 ? -4.436 4.333 -0.912 1.00 96.19 14 A 1 ATOM 103 O O . LEU A 1 14 ? -4.913 5.353 -1.416 1.00 96.16 14 A 1 ATOM 104 C CB . LEU A 1 14 ? -5.758 2.192 -0.808 1.00 94.97 14 A 1 ATOM 105 C CG . LEU A 1 14 ? -6.299 0.966 -1.564 1.00 91.51 14 A 1 ATOM 106 C CD1 . LEU A 1 14 ? -7.207 0.162 -0.636 1.00 89.55 14 A 1 ATOM 107 C CD2 . LEU A 1 14 ? -7.095 1.372 -2.802 1.00 89.44 14 A 1 ATOM 108 N N . TYR A 1 15 ? -3.667 4.363 0.168 1.00 96.08 15 A 1 ATOM 109 C CA . TYR A 1 15 ? -3.269 5.606 0.825 1.00 95.82 15 A 1 ATOM 110 C C . TYR A 1 15 ? -2.453 6.502 -0.110 1.00 96.19 15 A 1 ATOM 111 O O . TYR A 1 15 ? -2.703 7.706 -0.179 1.00 95.77 15 A 1 ATOM 112 C CB . TYR A 1 15 ? -2.478 5.270 2.090 1.00 95.43 15 A 1 ATOM 113 C CG . TYR A 1 15 ? -1.980 6.507 2.800 1.00 92.70 15 A 1 ATOM 114 C CD1 . TYR A 1 15 ? -0.660 6.956 2.611 1.00 89.10 15 A 1 ATOM 115 C CD2 . TYR A 1 15 ? -2.855 7.244 3.617 1.00 89.07 15 A 1 ATOM 116 C CE1 . TYR A 1 15 ? -0.219 8.127 3.236 1.00 88.17 15 A 1 ATOM 117 C CE2 . TYR A 1 15 ? -2.416 8.416 4.243 1.00 88.54 15 A 1 ATOM 118 C CZ . TYR A 1 15 ? -1.098 8.854 4.049 1.00 88.71 15 A 1 ATOM 119 O OH . TYR A 1 15 ? -0.666 10.006 4.657 1.00 87.39 15 A 1 ATOM 120 N N . LEU A 1 16 ? -1.526 5.920 -0.860 1.00 95.93 16 A 1 ATOM 121 C CA . LEU A 1 16 ? -0.677 6.659 -1.793 1.00 95.89 16 A 1 ATOM 122 C C . LEU A 1 16 ? -1.510 7.276 -2.925 1.00 96.19 16 A 1 ATOM 123 O O . LEU A 1 16 ? -1.325 8.446 -3.261 1.00 96.00 16 A 1 ATOM 124 C CB . LEU A 1 16 ? 0.423 5.712 -2.296 1.00 95.49 16 A 1 ATOM 125 C CG . LEU A 1 16 ? 1.742 6.423 -2.632 1.00 91.85 16 A 1 ATOM 126 C CD1 . LEU A 1 16 ? 2.916 5.462 -2.450 1.00 88.36 16 A 1 ATOM 127 C CD2 . LEU A 1 16 ? 1.764 6.948 -4.059 1.00 88.54 16 A 1 ATOM 128 N N . ILE A 1 17 ? -2.474 6.532 -3.465 1.00 96.62 17 A 1 ATOM 129 C CA . ILE A 1 17 ? -3.411 7.048 -4.471 1.00 96.26 17 A 1 ATOM 130 C C . ILE A 1 17 ? -4.212 8.222 -3.893 1.00 96.55 17 A 1 ATOM 131 O O . ILE A 1 17 ? -4.314 9.274 -4.528 1.00 96.17 17 A 1 ATOM 132 C CB . ILE A 1 17 ? -4.331 5.914 -4.968 1.00 95.69 17 A 1 ATOM 133 C CG1 . ILE A 1 17 ? -3.522 4.862 -5.761 1.00 94.61 17 A 1 ATOM 134 C CG2 . ILE A 1 17 ? -5.459 6.470 -5.858 1.00 94.50 17 A 1 ATOM 135 C CD1 . ILE A 1 17 ? -4.256 3.530 -5.930 1.00 92.15 17 A 1 ATOM 136 N N . GLY A 1 18 ? -4.733 8.066 -2.685 1.00 96.51 18 A 1 ATOM 137 C CA . GLY A 1 18 ? -5.452 9.137 -1.999 1.00 96.08 18 A 1 ATOM 138 C C . GLY A 1 18 ? -4.584 10.373 -1.763 1.00 96.51 18 A 1 ATOM 139 O O . GLY A 1 18 ? -5.043 11.492 -1.983 1.00 95.90 18 A 1 ATOM 140 N N . ALA A 1 19 ? -3.324 10.184 -1.381 1.00 96.39 19 A 1 ATOM 141 C CA . ALA A 1 19 ? -2.378 11.272 -1.153 1.00 96.06 19 A 1 ATOM 142 C C . ALA A 1 19 ? -2.031 12.036 -2.440 1.00 96.44 19 A 1 ATOM 143 O O . ALA A 1 19 ? -1.838 13.245 -2.394 1.00 94.68 19 A 1 ATOM 144 C CB . ALA A 1 19 ? -1.114 10.704 -0.497 1.00 94.85 19 A 1 ATOM 145 N N . VAL A 1 20 ? -1.989 11.361 -3.590 1.00 95.74 20 A 1 ATOM 146 C CA . VAL A 1 20 ? -1.759 12.019 -4.891 1.00 95.50 20 A 1 ATOM 147 C C . VAL A 1 20 ? -2.973 12.851 -5.314 1.00 95.63 20 A 1 ATOM 148 O O . VAL A 1 20 ? -2.812 13.907 -5.928 1.00 94.43 20 A 1 ATOM 149 C CB . VAL A 1 20 ? -1.394 10.976 -5.964 1.00 94.11 20 A 1 ATOM 150 C CG1 . VAL A 1 20 ? -1.329 11.568 -7.375 1.00 90.05 20 A 1 ATOM 151 C CG2 . VAL A 1 20 ? -0.023 10.364 -5.671 1.00 89.35 20 A 1 ATOM 152 N N . ILE A 1 21 ? -4.180 12.390 -4.994 1.00 95.09 21 A 1 ATOM 153 C CA . ILE A 1 21 ? -5.417 13.104 -5.322 1.00 94.53 21 A 1 ATOM 154 C C . ILE A 1 21 ? -5.630 14.302 -4.387 1.00 94.29 21 A 1 ATOM 155 O O . ILE A 1 21 ? -6.167 15.323 -4.819 1.00 93.47 21 A 1 ATOM 156 C CB . ILE A 1 21 ? -6.614 12.126 -5.283 1.00 92.91 21 A 1 ATOM 157 C CG1 . ILE A 1 21 ? -6.474 11.053 -6.381 1.00 90.13 21 A 1 ATOM 158 C CG2 . ILE A 1 21 ? -7.951 12.866 -5.459 1.00 87.58 21 A 1 ATOM 159 C CD1 . ILE A 1 21 ? -7.412 9.855 -6.193 1.00 82.68 21 A 1 ATOM 160 N N . ALA A 1 22 ? -5.203 14.174 -3.139 1.00 93.01 22 A 1 ATOM 161 C CA . ALA A 1 22 ? -5.349 15.220 -2.127 1.00 91.24 22 A 1 ATOM 162 C C . ALA A 1 22 ? -4.343 16.357 -2.331 1.00 87.38 22 A 1 ATOM 163 O O . ALA A 1 22 ? -4.737 17.528 -2.153 1.00 81.70 22 A 1 ATOM 164 C CB . ALA A 1 22 ? -5.203 14.594 -0.736 1.00 86.16 22 A 1 ATOM 165 O OXT . ALA A 1 22 ? -3.182 16.062 -2.647 1.00 76.02 22 A 1 #