# 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_spkb15537 # _entry.id spkb15537 # 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 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" "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 GLY 2 1 n ARG 3 1 n GLY 4 1 n THR 5 1 n LEU 6 1 n ALA 7 1 n LEU 8 1 n GLY 9 1 n TRP 10 1 n ALA 11 1 n GLY 12 1 n ALA 13 1 n ALA 14 1 n LEU 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n GLN 19 1 n MET 20 1 n LEU 21 1 n ALA 22 1 n ALA 23 1 n ALA 24 # _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 @ 2025-07-08 13:28:14)" _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 95.50 _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 83.50 1 1 A GLY 2 2 94.22 1 2 A ARG 3 2 86.02 1 3 A GLY 4 2 97.18 1 4 A THR 5 2 95.86 1 5 A LEU 6 2 96.61 1 6 A ALA 7 2 98.50 1 7 A LEU 8 2 96.88 1 8 A GLY 9 2 98.43 1 9 A TRP 10 2 95.39 1 10 A ALA 11 2 98.65 1 11 A GLY 12 2 98.59 1 12 A ALA 13 2 98.69 1 13 A ALA 14 2 98.75 1 14 A LEU 15 2 97.44 1 15 A LEU 16 2 97.25 1 16 A LEU 17 2 97.25 1 17 A LEU 18 2 97.73 1 18 A GLN 19 2 95.48 1 19 A MET 20 2 95.81 1 20 A LEU 21 2 97.54 1 21 A ALA 22 2 98.57 1 22 A ALA 23 2 97.87 1 23 A ALA 24 2 92.81 1 24 # _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 GLY . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n TRP . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n GLN . 19 A 19 A 20 1 n MET . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n ALA . 24 A 24 # _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 ? 16.962 -3.266 9.861 1.00 90.49 1 A 1 ATOM 2 C CA . MET A 1 1 ? 16.484 -1.888 9.677 1.00 90.09 1 A 1 ATOM 3 C C . MET A 1 1 ? 15.763 -1.727 8.333 1.00 90.59 1 A 1 ATOM 4 O O . MET A 1 1 ? 15.993 -0.770 7.602 1.00 85.32 1 A 1 ATOM 5 C CB . MET A 1 1 ? 17.669 -0.920 9.743 1.00 85.71 1 A 1 ATOM 6 C CG . MET A 1 1 ? 18.286 -0.862 11.124 1.00 82.12 1 A 1 ATOM 7 S SD . MET A 1 1 ? 19.912 -0.103 11.074 1.00 77.81 1 A 1 ATOM 8 C CE . MET A 1 1 ? 20.352 -0.197 12.795 1.00 65.87 1 A 1 ATOM 9 N N . GLY A 1 2 ? 14.905 -2.648 8.045 1.00 93.96 2 A 1 ATOM 10 C CA . GLY A 1 2 ? 14.179 -2.606 6.783 1.00 94.01 2 A 1 ATOM 11 C C . GLY A 1 2 ? 13.550 -3.936 6.439 1.00 95.01 2 A 1 ATOM 12 O O . GLY A 1 2 ? 13.999 -4.611 5.517 1.00 93.91 2 A 1 ATOM 13 N N . ARG A 1 3 ? 12.526 -4.310 7.168 1.00 95.45 3 A 1 ATOM 14 C CA . ARG A 1 3 ? 11.809 -5.564 6.926 1.00 96.25 3 A 1 ATOM 15 C C . ARG A 1 3 ? 10.346 -5.429 7.328 1.00 96.99 3 A 1 ATOM 16 O O . ARG A 1 3 ? 9.469 -6.003 6.686 1.00 95.49 3 A 1 ATOM 17 C CB . ARG A 1 3 ? 12.476 -6.719 7.682 1.00 94.38 3 A 1 ATOM 18 C CG . ARG A 1 3 ? 12.655 -6.455 9.168 1.00 88.15 3 A 1 ATOM 19 C CD . ARG A 1 3 ? 11.834 -7.419 9.995 1.00 85.51 3 A 1 ATOM 20 N NE . ARG A 1 3 ? 11.627 -6.902 11.347 1.00 78.95 3 A 1 ATOM 21 C CZ . ARG A 1 3 ? 11.011 -7.575 12.311 1.00 76.45 3 A 1 ATOM 22 N NH1 . ARG A 1 3 ? 10.562 -8.801 12.105 1.00 69.31 3 A 1 ATOM 23 N NH2 . ARG A 1 3 ? 10.837 -7.009 13.493 1.00 69.29 3 A 1 ATOM 24 N N . GLY A 1 4 ? 10.076 -4.658 8.363 1.00 96.95 4 A 1 ATOM 25 C CA . GLY A 1 4 ? 8.712 -4.427 8.815 1.00 97.09 4 A 1 ATOM 26 C C . GLY A 1 4 ? 8.184 -3.085 8.362 1.00 97.61 4 A 1 ATOM 27 O O . GLY A 1 4 ? 7.032 -2.960 7.959 1.00 97.07 4 A 1 ATOM 28 N N . THR A 1 5 ? 9.030 -2.072 8.417 1.00 97.74 5 A 1 ATOM 29 C CA . THR A 1 5 ? 8.656 -0.722 7.999 1.00 97.98 5 A 1 ATOM 30 C C . THR A 1 5 ? 8.370 -0.671 6.503 1.00 98.29 5 A 1 ATOM 31 O O . THR A 1 5 ? 7.390 -0.061 6.075 1.00 97.82 5 A 1 ATOM 32 C CB . THR A 1 5 ? 9.770 0.267 8.343 1.00 97.28 5 A 1 ATOM 33 O OG1 . THR A 1 5 ? 10.207 0.032 9.672 1.00 91.99 5 A 1 ATOM 34 C CG2 . THR A 1 5 ? 9.279 1.695 8.235 1.00 89.91 5 A 1 ATOM 35 N N . LEU A 1 6 ? 9.214 -1.311 5.718 1.00 98.13 6 A 1 ATOM 36 C CA . LEU A 1 6 ? 9.030 -1.343 4.267 1.00 98.21 6 A 1 ATOM 37 C C . LEU A 1 6 ? 7.760 -2.102 3.896 1.00 98.33 6 A 1 ATOM 38 O O . LEU A 1 6 ? 6.967 -1.635 3.080 1.00 98.14 6 A 1 ATOM 39 C CB . LEU A 1 6 ? 10.244 -1.984 3.602 1.00 98.03 6 A 1 ATOM 40 C CG . LEU A 1 6 ? 11.322 -0.981 3.219 1.00 96.17 6 A 1 ATOM 41 C CD1 . LEU A 1 6 ? 12.430 -0.947 4.266 1.00 93.24 6 A 1 ATOM 42 C CD2 . LEU A 1 6 ? 11.895 -1.324 1.862 1.00 92.61 6 A 1 ATOM 43 N N . ALA A 1 7 ? 7.568 -3.263 4.493 1.00 98.52 7 A 1 ATOM 44 C CA . ALA A 1 7 ? 6.391 -4.084 4.219 1.00 98.55 7 A 1 ATOM 45 C C . ALA A 1 7 ? 5.114 -3.408 4.712 1.00 98.66 7 A 1 ATOM 46 O O . ALA A 1 7 ? 4.102 -3.400 4.013 1.00 98.47 7 A 1 ATOM 47 C CB . ALA A 1 7 ? 6.556 -5.447 4.872 1.00 98.28 7 A 1 ATOM 48 N N . LEU A 1 8 ? 5.169 -2.836 5.904 1.00 98.45 8 A 1 ATOM 49 C CA . LEU A 1 8 ? 4.012 -2.153 6.480 1.00 98.44 8 A 1 ATOM 50 C C . LEU A 1 8 ? 3.675 -0.890 5.703 1.00 98.53 8 A 1 ATOM 51 O O . LEU A 1 8 ? 2.503 -0.591 5.480 1.00 98.28 8 A 1 ATOM 52 C CB . LEU A 1 8 ? 4.291 -1.815 7.942 1.00 98.16 8 A 1 ATOM 53 C CG . LEU A 1 8 ? 4.116 -3.000 8.884 1.00 96.55 8 A 1 ATOM 54 C CD1 . LEU A 1 8 ? 4.810 -2.735 10.209 1.00 93.74 8 A 1 ATOM 55 C CD2 . LEU A 1 8 ? 2.636 -3.264 9.118 1.00 92.89 8 A 1 ATOM 56 N N . GLY A 1 9 ? 4.695 -0.159 5.308 1.00 98.34 9 A 1 ATOM 57 C CA . GLY A 1 9 ? 4.491 1.057 4.528 1.00 98.32 9 A 1 ATOM 58 C C . GLY A 1 9 ? 3.848 0.762 3.188 1.00 98.59 9 A 1 ATOM 59 O O . GLY A 1 9 ? 2.909 1.443 2.772 1.00 98.48 9 A 1 ATOM 60 N N . TRP A 1 10 ? 4.338 -0.275 2.525 1.00 98.44 10 A 1 ATOM 61 C CA . TRP A 1 10 ? 3.798 -0.675 1.232 1.00 98.46 10 A 1 ATOM 62 C C . TRP A 1 10 ? 2.373 -1.191 1.384 1.00 98.66 10 A 1 ATOM 63 O O . TRP A 1 10 ? 1.484 -0.808 0.630 1.00 98.61 10 A 1 ATOM 64 C CB . TRP A 1 10 ? 4.690 -1.753 0.611 1.00 98.13 10 A 1 ATOM 65 C CG . TRP A 1 10 ? 5.273 -1.302 -0.684 1.00 97.03 10 A 1 ATOM 66 C CD1 . TRP A 1 10 ? 6.571 -0.976 -0.926 1.00 94.24 10 A 1 ATOM 67 C CD2 . TRP A 1 10 ? 4.578 -1.125 -1.936 1.00 95.70 10 A 1 ATOM 68 N NE1 . TRP A 1 10 ? 6.725 -0.611 -2.238 1.00 93.17 10 A 1 ATOM 69 C CE2 . TRP A 1 10 ? 5.520 -0.689 -2.892 1.00 94.87 10 A 1 ATOM 70 C CE3 . TRP A 1 10 ? 3.258 -1.295 -2.344 1.00 93.13 10 A 1 ATOM 71 C CZ2 . TRP A 1 10 ? 5.169 -0.425 -4.214 1.00 92.73 10 A 1 ATOM 72 C CZ3 . TRP A 1 10 ? 2.907 -1.032 -3.662 1.00 91.31 10 A 1 ATOM 73 C CH2 . TRP A 1 10 ? 3.859 -0.599 -4.582 1.00 90.92 10 A 1 ATOM 74 N N . ALA A 1 11 ? 2.150 -2.041 2.376 1.00 98.69 11 A 1 ATOM 75 C CA . ALA A 1 11 ? 0.828 -2.603 2.638 1.00 98.69 11 A 1 ATOM 76 C C . ALA A 1 11 ? -0.170 -1.507 3.001 1.00 98.77 11 A 1 ATOM 77 O O . ALA A 1 11 ? -1.314 -1.532 2.550 1.00 98.61 11 A 1 ATOM 78 C CB . ALA A 1 11 ? 0.920 -3.630 3.755 1.00 98.47 11 A 1 ATOM 79 N N . GLY A 1 12 ? 0.259 -0.553 3.805 1.00 98.55 12 A 1 ATOM 80 C CA . GLY A 1 12 ? -0.600 0.553 4.208 1.00 98.53 12 A 1 ATOM 81 C C . GLY A 1 12 ? -1.013 1.405 3.026 1.00 98.68 12 A 1 ATOM 82 O O . GLY A 1 12 ? -2.183 1.773 2.895 1.00 98.59 12 A 1 ATOM 83 N N . ALA A 1 13 ? -0.062 1.701 2.166 1.00 98.75 13 A 1 ATOM 84 C CA . ALA A 1 13 ? -0.340 2.501 0.975 1.00 98.74 13 A 1 ATOM 85 C C . ALA A 1 13 ? -1.301 1.770 0.042 1.00 98.79 13 A 1 ATOM 86 O O . ALA A 1 13 ? -2.229 2.374 -0.500 1.00 98.64 13 A 1 ATOM 87 C CB . ALA A 1 13 ? 0.965 2.808 0.252 1.00 98.53 13 A 1 ATOM 88 N N . ALA A 1 14 ? -1.092 0.476 -0.132 1.00 98.80 14 A 1 ATOM 89 C CA . ALA A 1 14 ? -1.950 -0.335 -0.991 1.00 98.79 14 A 1 ATOM 90 C C . ALA A 1 14 ? -3.370 -0.405 -0.435 1.00 98.82 14 A 1 ATOM 91 O O . ALA A 1 14 ? -4.343 -0.310 -1.185 1.00 98.67 14 A 1 ATOM 92 C CB . ALA A 1 14 ? -1.362 -1.736 -1.122 1.00 98.65 14 A 1 ATOM 93 N N . LEU A 1 15 ? -3.489 -0.559 0.874 1.00 98.75 15 A 1 ATOM 94 C CA . LEU A 1 15 ? -4.788 -0.630 1.536 1.00 98.71 15 A 1 ATOM 95 C C . LEU A 1 15 ? -5.546 0.684 1.396 1.00 98.76 15 A 1 ATOM 96 O O . LEU A 1 15 ? -6.748 0.697 1.139 1.00 98.66 15 A 1 ATOM 97 C CB . LEU A 1 15 ? -4.595 -0.979 3.017 1.00 98.54 15 A 1 ATOM 98 C CG . LEU A 1 15 ? -5.081 -2.375 3.405 1.00 96.11 15 A 1 ATOM 99 C CD1 . LEU A 1 15 ? -6.584 -2.492 3.234 1.00 94.96 15 A 1 ATOM 100 C CD2 . LEU A 1 15 ? -4.363 -3.432 2.589 1.00 95.07 15 A 1 ATOM 101 N N . LEU A 1 16 ? -4.840 1.788 1.568 1.00 98.60 16 A 1 ATOM 102 C CA . LEU A 1 16 ? -5.450 3.109 1.440 1.00 98.54 16 A 1 ATOM 103 C C . LEU A 1 16 ? -5.977 3.329 0.025 1.00 98.66 16 A 1 ATOM 104 O O . LEU A 1 16 ? -7.079 3.855 -0.160 1.00 98.60 16 A 1 ATOM 105 C CB . LEU A 1 16 ? -4.415 4.178 1.789 1.00 98.39 16 A 1 ATOM 106 C CG . LEU A 1 16 ? -4.293 4.429 3.291 1.00 95.93 16 A 1 ATOM 107 C CD1 . LEU A 1 16 ? -2.955 5.062 3.625 1.00 94.54 16 A 1 ATOM 108 C CD2 . LEU A 1 16 ? -5.430 5.334 3.754 1.00 94.72 16 A 1 ATOM 109 N N . LEU A 1 17 ? -5.201 2.921 -0.953 1.00 98.62 17 A 1 ATOM 110 C CA . LEU A 1 17 ? -5.607 3.056 -2.350 1.00 98.60 17 A 1 ATOM 111 C C . LEU A 1 17 ? -6.837 2.204 -2.637 1.00 98.72 17 A 1 ATOM 112 O O . LEU A 1 17 ? -7.770 2.659 -3.306 1.00 98.65 17 A 1 ATOM 113 C CB . LEU A 1 17 ? -4.448 2.637 -3.254 1.00 98.44 17 A 1 ATOM 114 C CG . LEU A 1 17 ? -3.389 3.722 -3.421 1.00 95.66 17 A 1 ATOM 115 C CD1 . LEU A 1 17 ? -2.068 3.116 -3.867 1.00 94.46 17 A 1 ATOM 116 C CD2 . LEU A 1 17 ? -3.864 4.750 -4.445 1.00 94.86 17 A 1 ATOM 117 N N . LEU A 1 18 ? -6.844 0.984 -2.118 1.00 98.68 18 A 1 ATOM 118 C CA . LEU A 1 18 ? -7.973 0.078 -2.309 1.00 98.65 18 A 1 ATOM 119 C C . LEU A 1 18 ? -9.234 0.635 -1.661 1.00 98.73 18 A 1 ATOM 120 O O . LEU A 1 18 ? -10.322 0.554 -2.234 1.00 98.60 18 A 1 ATOM 121 C CB . LEU A 1 18 ? -7.631 -1.286 -1.709 1.00 98.46 18 A 1 ATOM 122 C CG . LEU A 1 18 ? -6.839 -2.177 -2.656 1.00 97.28 18 A 1 ATOM 123 C CD1 . LEU A 1 18 ? -6.111 -3.263 -1.880 1.00 95.84 18 A 1 ATOM 124 C CD2 . LEU A 1 18 ? -7.784 -2.807 -3.675 1.00 95.62 18 A 1 ATOM 125 N N . GLN A 1 19 ? -9.086 1.214 -0.485 1.00 98.58 19 A 1 ATOM 126 C CA . GLN A 1 19 ? -10.214 1.801 0.236 1.00 98.60 19 A 1 ATOM 127 C C . GLN A 1 19 ? -10.797 2.973 -0.543 1.00 98.77 19 A 1 ATOM 128 O O . GLN A 1 19 ? -12.015 3.098 -0.668 1.00 98.65 19 A 1 ATOM 129 C CB . GLN A 1 19 ? -9.760 2.257 1.617 1.00 98.40 19 A 1 ATOM 130 C CG . GLN A 1 19 ? -9.743 1.116 2.610 1.00 96.81 19 A 1 ATOM 131 C CD . GLN A 1 19 ? -9.395 1.603 3.999 1.00 93.57 19 A 1 ATOM 132 O OE1 . GLN A 1 19 ? -10.196 2.247 4.665 1.00 88.54 19 A 1 ATOM 133 N NE2 . GLN A 1 19 ? -8.192 1.328 4.446 1.00 87.42 19 A 1 ATOM 134 N N . MET A 1 20 ? -9.932 3.816 -1.070 1.00 98.69 20 A 1 ATOM 135 C CA . MET A 1 20 ? -10.377 4.967 -1.859 1.00 98.71 20 A 1 ATOM 136 C C . MET A 1 20 ? -11.090 4.510 -3.128 1.00 98.81 20 A 1 ATOM 137 O O . MET A 1 20 ? -12.105 5.087 -3.518 1.00 98.69 20 A 1 ATOM 138 C CB . MET A 1 20 ? -9.173 5.839 -2.209 1.00 98.56 20 A 1 ATOM 139 C CG . MET A 1 20 ? -8.776 6.733 -1.052 1.00 97.10 20 A 1 ATOM 140 S SD . MET A 1 20 ? -7.593 7.998 -1.539 1.00 91.70 20 A 1 ATOM 141 C CE . MET A 1 20 ? -6.088 7.053 -1.464 1.00 84.22 20 A 1 ATOM 142 N N . LEU A 1 21 ? -10.561 3.471 -3.744 1.00 98.78 21 A 1 ATOM 143 C CA . LEU A 1 21 ? -11.160 2.929 -4.960 1.00 98.79 21 A 1 ATOM 144 C C . LEU A 1 21 ? -12.529 2.324 -4.666 1.00 98.83 21 A 1 ATOM 145 O O . LEU A 1 21 ? -13.479 2.519 -5.427 1.00 98.70 21 A 1 ATOM 146 C CB . LEU A 1 21 ? -10.232 1.866 -5.552 1.00 98.68 21 A 1 ATOM 147 C CG . LEU A 1 21 ? -10.546 1.540 -7.006 1.00 97.37 21 A 1 ATOM 148 C CD1 . LEU A 1 21 ? -9.924 2.585 -7.932 1.00 94.56 21 A 1 ATOM 149 C CD2 . LEU A 1 21 ? -10.028 0.160 -7.363 1.00 94.58 21 A 1 ATOM 150 N N . ALA A 1 22 ? -12.635 1.608 -3.564 1.00 98.75 22 A 1 ATOM 151 C CA . ALA A 1 22 ? -13.891 0.976 -3.164 1.00 98.69 22 A 1 ATOM 152 C C . ALA A 1 22 ? -14.916 2.013 -2.714 1.00 98.69 22 A 1 ATOM 153 O O . ALA A 1 22 ? -16.120 1.806 -2.854 1.00 98.29 22 A 1 ATOM 154 C CB . ALA A 1 22 ? -13.625 -0.024 -2.043 1.00 98.44 22 A 1 ATOM 155 N N . ALA A 1 23 ? -14.438 3.125 -2.171 1.00 98.42 23 A 1 ATOM 156 C CA . ALA A 1 23 ? -15.308 4.199 -1.700 1.00 98.20 23 A 1 ATOM 157 C C . ALA A 1 23 ? -15.930 4.962 -2.863 1.00 98.20 23 A 1 ATOM 158 O O . ALA A 1 23 ? -16.979 5.591 -2.707 1.00 96.97 23 A 1 ATOM 159 C CB . ALA A 1 23 ? -14.518 5.152 -0.809 1.00 97.57 23 A 1 ATOM 160 N N . ALA A 1 24 ? -15.289 4.915 -4.014 1.00 97.22 24 A 1 ATOM 161 C CA . ALA A 1 24 ? -15.774 5.605 -5.211 1.00 95.96 24 A 1 ATOM 162 C C . ALA A 1 24 ? -17.076 4.972 -5.697 1.00 94.37 24 A 1 ATOM 163 O O . ALA A 1 24 ? -17.969 5.704 -6.144 1.00 90.31 24 A 1 ATOM 164 C CB . ALA A 1 24 ? -14.713 5.563 -6.307 1.00 93.67 24 A 1 ATOM 165 O OXT . ALA A 1 24 ? -17.192 3.748 -5.631 1.00 85.33 24 A 1 #