# 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_spkb33834 # _entry.id spkb33834 # 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" "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" "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 VAL 2 1 n ARG 3 1 n ILE 4 1 n THR 5 1 n ALA 6 1 n LEU 7 1 n MET 8 1 n SER 9 1 n GLY 10 1 n SER 11 1 n ILE 12 1 n LEU 13 1 n LEU 14 1 n PHE 15 1 n ALA 16 1 n LEU 17 1 n GLN 18 1 n ALA 19 1 n LEU 20 1 n ALA 21 # _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 @ 2025-07-11 15:42:11)" _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 93.90 _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 85.74 1 1 A VAL 2 2 92.61 1 2 A ARG 3 2 86.29 1 3 A ILE 4 2 93.87 1 4 A THR 5 2 94.87 1 5 A ALA 6 2 95.93 1 6 A LEU 7 2 94.16 1 7 A MET 8 2 91.47 1 8 A SER 9 2 94.72 1 9 A GLY 10 2 97.56 1 10 A SER 11 2 96.98 1 11 A ILE 12 2 96.66 1 12 A LEU 13 2 96.53 1 13 A LEU 14 2 96.41 1 14 A PHE 15 2 93.97 1 15 A ALA 16 2 97.98 1 16 A LEU 17 2 96.58 1 17 A GLN 18 2 93.79 1 18 A ALA 19 2 97.70 1 19 A LEU 20 2 95.22 1 20 A ALA 21 2 91.50 1 21 # _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 VAL . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n MET . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -18.016 -4.401 7.109 1.00 90.51 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.812 -3.547 7.150 1.00 92.97 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.785 -4.015 6.124 1.00 93.36 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.519 -5.207 6.015 1.00 90.02 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.174 -3.589 8.537 1.00 87.45 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.023 -2.896 9.588 1.00 80.89 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.251 -2.942 11.208 1.00 79.50 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.435 -1.993 12.149 1.00 71.19 1 A 1 ATOM 9 N N . VAL A 1 2 ? -15.211 -3.089 5.390 1.00 93.66 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -14.216 -3.411 4.370 1.00 95.48 2 A 1 ATOM 11 C C . VAL A 1 2 ? -12.804 -3.146 4.899 1.00 96.39 2 A 1 ATOM 12 O O . VAL A 1 2 ? -12.562 -2.132 5.549 1.00 94.52 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -14.466 -2.573 3.108 1.00 93.73 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -13.586 -3.057 1.968 1.00 86.54 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -15.927 -2.641 2.702 1.00 87.97 2 A 1 ATOM 16 N N . ARG A 1 3 ? -11.894 -4.052 4.623 1.00 93.54 3 A 1 ATOM 17 C CA . ARG A 1 3 ? -10.512 -3.931 5.092 1.00 94.64 3 A 1 ATOM 18 C C . ARG A 1 3 ? -9.547 -3.606 3.951 1.00 95.56 3 A 1 ATOM 19 O O . ARG A 1 3 ? -8.340 -3.754 4.099 1.00 94.57 3 A 1 ATOM 20 C CB . ARG A 1 3 ? -10.084 -5.230 5.783 1.00 92.95 3 A 1 ATOM 21 C CG . ARG A 1 3 ? -10.221 -5.148 7.280 1.00 87.17 3 A 1 ATOM 22 C CD . ARG A 1 3 ? -11.643 -5.416 7.728 1.00 86.97 3 A 1 ATOM 23 N NE . ARG A 1 3 ? -12.170 -4.335 8.550 1.00 80.90 3 A 1 ATOM 24 C CZ . ARG A 1 3 ? -11.823 -4.120 9.808 1.00 79.44 3 A 1 ATOM 25 N NH1 . ARG A 1 3 ? -10.957 -4.905 10.424 1.00 71.27 3 A 1 ATOM 26 N NH2 . ARG A 1 3 ? -12.350 -3.107 10.467 1.00 72.20 3 A 1 ATOM 27 N N . ILE A 1 4 ? -10.082 -3.167 2.823 1.00 95.48 4 A 1 ATOM 28 C CA . ILE A 1 4 ? -9.268 -2.835 1.659 1.00 95.74 4 A 1 ATOM 29 C C . ILE A 1 4 ? -8.577 -1.489 1.842 1.00 96.43 4 A 1 ATOM 30 O O . ILE A 1 4 ? -7.485 -1.256 1.326 1.00 95.94 4 A 1 ATOM 31 C CB . ILE A 1 4 ? -10.129 -2.813 0.385 1.00 95.25 4 A 1 ATOM 32 C CG1 . ILE A 1 4 ? -10.985 -4.081 0.296 1.00 92.64 4 A 1 ATOM 33 C CG2 . ILE A 1 4 ? -9.237 -2.690 -0.845 1.00 91.81 4 A 1 ATOM 34 C CD1 . ILE A 1 4 ? -10.169 -5.358 0.329 1.00 87.66 4 A 1 ATOM 35 N N . THR A 1 5 ? -9.219 -0.607 2.578 1.00 96.81 5 A 1 ATOM 36 C CA . THR A 1 5 ? -8.697 0.735 2.830 1.00 96.62 5 A 1 ATOM 37 C C . THR A 1 5 ? -7.463 0.698 3.732 1.00 96.74 5 A 1 ATOM 38 O O . THR A 1 5 ? -6.763 1.697 3.879 1.00 96.44 5 A 1 ATOM 39 C CB . THR A 1 5 ? -9.766 1.618 3.475 1.00 96.08 5 A 1 ATOM 40 O OG1 . THR A 1 5 ? -11.038 1.329 2.902 1.00 91.41 5 A 1 ATOM 41 C CG2 . THR A 1 5 ? -9.462 3.091 3.264 1.00 89.96 5 A 1 ATOM 42 N N . ALA A 1 6 ? -7.188 -0.449 4.322 1.00 96.12 6 A 1 ATOM 43 C CA . ALA A 1 6 ? -6.036 -0.612 5.211 1.00 96.07 6 A 1 ATOM 44 C C . ALA A 1 6 ? -4.726 -0.316 4.483 1.00 96.67 6 A 1 ATOM 45 O O . ALA A 1 6 ? -3.749 0.112 5.095 1.00 95.86 6 A 1 ATOM 46 C CB . ALA A 1 6 ? -6.015 -2.029 5.769 1.00 94.92 6 A 1 ATOM 47 N N . LEU A 1 7 ? -4.712 -0.525 3.178 1.00 96.44 7 A 1 ATOM 48 C CA . LEU A 1 7 ? -3.529 -0.274 2.362 1.00 96.47 7 A 1 ATOM 49 C C . LEU A 1 7 ? -3.268 1.217 2.213 1.00 97.16 7 A 1 ATOM 50 O O . LEU A 1 7 ? -2.129 1.641 2.028 1.00 96.51 7 A 1 ATOM 51 C CB . LEU A 1 7 ? -3.711 -0.906 0.983 1.00 95.95 7 A 1 ATOM 52 C CG . LEU A 1 7 ? -4.048 -2.391 1.010 1.00 92.11 7 A 1 ATOM 53 C CD1 . LEU A 1 7 ? -4.425 -2.868 -0.386 1.00 89.63 7 A 1 ATOM 54 C CD2 . LEU A 1 7 ? -2.872 -3.192 1.537 1.00 88.97 7 A 1 ATOM 55 N N . MET A 1 8 ? -4.327 2.000 2.296 1.00 96.15 8 A 1 ATOM 56 C CA . MET A 1 8 ? -4.225 3.449 2.152 1.00 96.14 8 A 1 ATOM 57 C C . MET A 1 8 ? -4.090 4.149 3.503 1.00 96.92 8 A 1 ATOM 58 O O . MET A 1 8 ? -4.223 5.362 3.592 1.00 96.48 8 A 1 ATOM 59 C CB . MET A 1 8 ? -5.448 3.984 1.415 1.00 95.27 8 A 1 ATOM 60 C CG . MET A 1 8 ? -5.562 3.445 0.001 1.00 90.70 8 A 1 ATOM 61 S SD . MET A 1 8 ? -6.963 4.137 -0.876 1.00 83.97 8 A 1 ATOM 62 C CE . MET A 1 8 ? -6.794 3.306 -2.446 1.00 76.10 8 A 1 ATOM 63 N N . SER A 1 9 ? -3.829 3.384 4.536 1.00 96.29 9 A 1 ATOM 64 C CA . SER A 1 9 ? -3.713 3.929 5.881 1.00 96.60 9 A 1 ATOM 65 C C . SER A 1 9 ? -2.288 3.801 6.410 1.00 97.12 9 A 1 ATOM 66 O O . SER A 1 9 ? -1.686 4.778 6.846 1.00 95.94 9 A 1 ATOM 67 C CB . SER A 1 9 ? -4.690 3.218 6.817 1.00 95.33 9 A 1 ATOM 68 O OG . SER A 1 9 ? -4.759 3.877 8.055 1.00 87.07 9 A 1 ATOM 69 N N . GLY A 1 10 ? -1.762 2.592 6.373 1.00 97.17 10 A 1 ATOM 70 C CA . GLY A 1 10 ? -0.408 2.352 6.864 1.00 97.32 10 A 1 ATOM 71 C C . GLY A 1 10 ? 0.455 1.578 5.890 1.00 98.03 10 A 1 ATOM 72 O O . GLY A 1 10 ? 1.650 1.824 5.775 1.00 97.73 10 A 1 ATOM 73 N N . SER A 1 11 ? -0.151 0.643 5.171 1.00 97.66 11 A 1 ATOM 74 C CA . SER A 1 11 ? 0.561 -0.191 4.203 1.00 97.99 11 A 1 ATOM 75 C C . SER A 1 11 ? 1.124 0.630 3.049 1.00 98.37 11 A 1 ATOM 76 O O . SER A 1 11 ? 2.036 0.187 2.357 1.00 98.03 11 A 1 ATOM 77 C CB . SER A 1 11 ? -0.370 -1.268 3.658 1.00 97.29 11 A 1 ATOM 78 O OG . SER A 1 11 ? -0.874 -2.059 4.710 1.00 92.53 11 A 1 ATOM 79 N N . ILE A 1 12 ? 0.590 1.828 2.854 1.00 97.99 12 A 1 ATOM 80 C CA . ILE A 1 12 ? 1.054 2.700 1.785 1.00 98.05 12 A 1 ATOM 81 C C . ILE A 1 12 ? 2.521 3.069 1.982 1.00 98.25 12 A 1 ATOM 82 O O . ILE A 1 12 ? 3.253 3.306 1.019 1.00 97.92 12 A 1 ATOM 83 C CB . ILE A 1 12 ? 0.196 3.969 1.711 1.00 97.94 12 A 1 ATOM 84 C CG1 . ILE A 1 12 ? 0.516 4.753 0.441 1.00 96.35 12 A 1 ATOM 85 C CG2 . ILE A 1 12 ? 0.415 4.836 2.948 1.00 95.64 12 A 1 ATOM 86 C CD1 . ILE A 1 12 ? -0.559 5.743 0.071 1.00 91.14 12 A 1 ATOM 87 N N . LEU A 1 13 ? 2.953 3.123 3.229 1.00 98.00 13 A 1 ATOM 88 C CA . LEU A 1 13 ? 4.336 3.449 3.559 1.00 97.94 13 A 1 ATOM 89 C C . LEU A 1 13 ? 5.276 2.353 3.070 1.00 98.16 13 A 1 ATOM 90 O O . LEU A 1 13 ? 6.350 2.629 2.539 1.00 97.99 13 A 1 ATOM 91 C CB . LEU A 1 13 ? 4.479 3.617 5.072 1.00 97.91 13 A 1 ATOM 92 C CG . LEU A 1 13 ? 5.800 4.241 5.501 1.00 95.46 13 A 1 ATOM 93 C CD1 . LEU A 1 13 ? 5.784 5.738 5.236 1.00 93.35 13 A 1 ATOM 94 C CD2 . LEU A 1 13 ? 6.057 3.971 6.974 1.00 93.43 13 A 1 ATOM 95 N N . LEU A 1 14 ? 4.869 1.110 3.238 1.00 97.94 14 A 1 ATOM 96 C CA . LEU A 1 14 ? 5.660 -0.037 2.815 1.00 97.77 14 A 1 ATOM 97 C C . LEU A 1 14 ? 5.647 -0.157 1.298 1.00 97.95 14 A 1 ATOM 98 O O . LEU A 1 14 ? 6.633 -0.575 0.693 1.00 97.87 14 A 1 ATOM 99 C CB . LEU A 1 14 ? 5.102 -1.313 3.441 1.00 97.68 14 A 1 ATOM 100 C CG . LEU A 1 14 ? 4.553 -1.159 4.849 1.00 95.47 14 A 1 ATOM 101 C CD1 . LEU A 1 14 ? 3.926 -2.466 5.311 1.00 93.34 14 A 1 ATOM 102 C CD2 . LEU A 1 14 ? 5.666 -0.736 5.803 1.00 93.22 14 A 1 ATOM 103 N N . PHE A 1 15 ? 4.524 0.217 0.710 1.00 97.28 15 A 1 ATOM 104 C CA . PHE A 1 15 ? 4.371 0.153 -0.739 1.00 96.98 15 A 1 ATOM 105 C C . PHE A 1 15 ? 5.381 1.060 -1.432 1.00 97.64 15 A 1 ATOM 106 O O . PHE A 1 15 ? 5.966 0.685 -2.448 1.00 97.28 15 A 1 ATOM 107 C CB . PHE A 1 15 ? 2.952 0.568 -1.116 1.00 96.75 15 A 1 ATOM 108 C CG . PHE A 1 15 ? 2.659 0.385 -2.577 1.00 93.89 15 A 1 ATOM 109 C CD1 . PHE A 1 15 ? 2.497 -0.883 -3.107 1.00 91.01 15 A 1 ATOM 110 C CD2 . PHE A 1 15 ? 2.537 1.482 -3.409 1.00 91.79 15 A 1 ATOM 111 C CE1 . PHE A 1 15 ? 2.226 -1.060 -4.451 1.00 90.31 15 A 1 ATOM 112 C CE2 . PHE A 1 15 ? 2.268 1.313 -4.758 1.00 90.22 15 A 1 ATOM 113 C CZ . PHE A 1 15 ? 2.114 0.040 -5.280 1.00 90.54 15 A 1 ATOM 114 N N . ALA A 1 16 ? 5.594 2.249 -0.879 1.00 98.01 16 A 1 ATOM 115 C CA . ALA A 1 16 ? 6.539 3.203 -1.451 1.00 97.98 16 A 1 ATOM 116 C C . ALA A 1 16 ? 7.978 2.742 -1.244 1.00 98.22 16 A 1 ATOM 117 O O . ALA A 1 16 ? 8.829 2.931 -2.112 1.00 97.90 16 A 1 ATOM 118 C CB . ALA A 1 16 ? 6.332 4.574 -0.821 1.00 97.79 16 A 1 ATOM 119 N N . LEU A 1 17 ? 8.251 2.149 -0.090 1.00 98.08 17 A 1 ATOM 120 C CA . LEU A 1 17 ? 9.587 1.660 0.235 1.00 98.00 17 A 1 ATOM 121 C C . LEU A 1 17 ? 9.940 0.441 -0.605 1.00 98.09 17 A 1 ATOM 122 O O . LEU A 1 17 ? 11.065 0.313 -1.088 1.00 97.80 17 A 1 ATOM 123 C CB . LEU A 1 17 ? 9.658 1.332 1.725 1.00 97.88 17 A 1 ATOM 124 C CG . LEU A 1 17 ? 11.072 1.200 2.265 1.00 96.33 17 A 1 ATOM 125 C CD1 . LEU A 1 17 ? 11.155 1.763 3.669 1.00 93.49 17 A 1 ATOM 126 C CD2 . LEU A 1 17 ? 11.514 -0.254 2.270 1.00 92.99 17 A 1 ATOM 127 N N . GLN A 1 18 ? 8.988 -0.449 -0.782 1.00 97.97 18 A 1 ATOM 128 C CA . GLN A 1 18 ? 9.193 -1.661 -1.569 1.00 97.77 18 A 1 ATOM 129 C C . GLN A 1 18 ? 9.416 -1.338 -3.038 1.00 98.02 18 A 1 ATOM 130 O O . GLN A 1 18 ? 10.174 -2.025 -3.722 1.00 97.55 18 A 1 ATOM 131 C CB . GLN A 1 18 ? 7.980 -2.579 -1.422 1.00 97.16 18 A 1 ATOM 132 C CG . GLN A 1 18 ? 7.935 -3.277 -0.075 1.00 93.95 18 A 1 ATOM 133 C CD . GLN A 1 18 ? 6.599 -3.943 0.184 1.00 90.48 18 A 1 ATOM 134 O OE1 . GLN A 1 18 ? 5.783 -4.102 -0.725 1.00 86.00 18 A 1 ATOM 135 N NE2 . GLN A 1 18 ? 6.351 -4.344 1.419 1.00 85.23 18 A 1 ATOM 136 N N . ALA A 1 19 ? 8.779 -0.295 -3.521 1.00 97.82 19 A 1 ATOM 137 C CA . ALA A 1 19 ? 8.918 0.114 -4.914 1.00 97.80 19 A 1 ATOM 138 C C . ALA A 1 19 ? 10.313 0.666 -5.186 1.00 98.05 19 A 1 ATOM 139 O O . ALA A 1 19 ? 10.826 0.559 -6.298 1.00 97.54 19 A 1 ATOM 140 C CB . ALA A 1 19 ? 7.863 1.160 -5.253 1.00 97.28 19 A 1 ATOM 141 N N . LEU A 1 20 ? 10.928 1.265 -4.170 1.00 97.74 20 A 1 ATOM 142 C CA . LEU A 1 20 ? 12.264 1.837 -4.299 1.00 97.62 20 A 1 ATOM 143 C C . LEU A 1 20 ? 13.343 0.792 -4.071 1.00 97.76 20 A 1 ATOM 144 O O . LEU A 1 20 ? 14.275 0.665 -4.864 1.00 97.01 20 A 1 ATOM 145 C CB . LEU A 1 20 ? 12.429 2.980 -3.298 1.00 97.06 20 A 1 ATOM 146 C CG . LEU A 1 20 ? 11.749 4.277 -3.717 1.00 94.49 20 A 1 ATOM 147 C CD1 . LEU A 1 20 ? 11.628 5.223 -2.535 1.00 91.03 20 A 1 ATOM 148 C CD2 . LEU A 1 20 ? 12.537 4.937 -4.835 1.00 89.06 20 A 1 ATOM 149 N N . ALA A 1 21 ? 13.220 0.069 -2.987 1.00 95.68 21 A 1 ATOM 150 C CA . ALA A 1 21 ? 14.186 -0.966 -2.625 1.00 94.49 21 A 1 ATOM 151 C C . ALA A 1 21 ? 14.017 -2.172 -3.527 1.00 92.99 21 A 1 ATOM 152 O O . ALA A 1 21 ? 14.972 -2.531 -4.233 1.00 90.70 21 A 1 ATOM 153 C CB . ALA A 1 21 ? 14.019 -1.355 -1.162 1.00 91.23 21 A 1 ATOM 154 O OXT . ALA A 1 21 ? 12.922 -2.740 -3.509 1.00 83.92 21 A 1 #