# 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_spkb33843 # _entry.id spkb33843 # 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" "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" "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 GLY 2 1 n MET 3 1 n ARG 4 1 n MET 5 1 n MET 6 1 n PHE 7 1 n THR 8 1 n VAL 9 1 n PHE 10 1 n LEU 11 1 n LEU 12 1 n VAL 13 1 n ALA 14 1 n LEU 15 1 n ALA 16 1 n THR 17 1 n THR 18 1 n VAL 19 1 n VAL 20 1 n SER 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 @ 2025-07-12 11:26:05)" _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 90.75 _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 74.30 1 1 A GLY 2 2 88.91 1 2 A MET 3 2 83.92 1 3 A ARG 4 2 83.16 1 4 A MET 5 2 87.36 1 5 A MET 6 2 88.64 1 6 A PHE 7 2 92.20 1 7 A THR 8 2 94.09 1 8 A VAL 9 2 95.46 1 9 A PHE 10 2 92.50 1 10 A LEU 11 2 93.97 1 11 A LEU 12 2 93.98 1 12 A VAL 13 2 96.41 1 13 A ALA 14 2 97.32 1 14 A LEU 15 2 94.23 1 15 A ALA 16 2 97.39 1 16 A THR 17 2 94.68 1 17 A THR 18 2 94.07 1 18 A VAL 19 2 93.47 1 19 A VAL 20 2 92.67 1 20 A SER 21 2 85.26 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 GLY . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n MET . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n SER . 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 ? 1.630 -16.411 4.718 1.00 80.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.924 -15.323 5.672 1.00 82.55 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.214 -14.040 4.888 1.00 84.12 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.335 -13.835 4.445 1.00 76.41 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.115 -15.722 6.550 1.00 75.84 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.845 -15.537 8.039 1.00 71.06 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.199 -16.176 9.035 1.00 66.09 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.545 -15.943 10.674 1.00 57.68 1 A 1 ATOM 9 N N . GLY A 1 2 ? 1.227 -13.219 4.679 1.00 86.45 2 A 1 ATOM 10 C CA . GLY A 1 2 ? 1.404 -11.991 3.904 1.00 89.41 2 A 1 ATOM 11 C C . GLY A 1 2 ? 0.148 -11.133 3.831 1.00 91.41 2 A 1 ATOM 12 O O . GLY A 1 2 ? 0.134 -10.139 3.112 1.00 88.35 2 A 1 ATOM 13 N N . MET A 1 3 ? -0.899 -11.486 4.571 1.00 89.68 3 A 1 ATOM 14 C CA . MET A 1 3 ? -2.145 -10.698 4.580 1.00 91.31 3 A 1 ATOM 15 C C . MET A 1 3 ? -1.894 -9.255 5.020 1.00 93.10 3 A 1 ATOM 16 O O . MET A 1 3 ? -2.383 -8.323 4.386 1.00 89.97 3 A 1 ATOM 17 C CB . MET A 1 3 ? -3.181 -11.352 5.495 1.00 87.09 3 A 1 ATOM 18 C CG . MET A 1 3 ? -4.002 -12.391 4.744 1.00 81.12 3 A 1 ATOM 19 S SD . MET A 1 3 ? -5.533 -12.800 5.604 1.00 75.40 3 A 1 ATOM 20 C CE . MET A 1 3 ? -6.665 -12.857 4.235 1.00 63.72 3 A 1 ATOM 21 N N . ARG A 1 4 ? -1.095 -9.068 6.069 1.00 94.50 4 A 1 ATOM 22 C CA . ARG A 1 4 ? -0.726 -7.727 6.549 1.00 95.92 4 A 1 ATOM 23 C C . ARG A 1 4 ? 0.081 -6.972 5.500 1.00 96.86 4 A 1 ATOM 24 O O . ARG A 1 4 ? -0.170 -5.794 5.268 1.00 95.87 4 A 1 ATOM 25 C CB . ARG A 1 4 ? 0.071 -7.853 7.850 1.00 94.05 4 A 1 ATOM 26 C CG . ARG A 1 4 ? -0.831 -7.891 9.086 1.00 85.25 4 A 1 ATOM 27 C CD . ARG A 1 4 ? -1.083 -6.464 9.601 1.00 81.25 4 A 1 ATOM 28 N NE . ARG A 1 4 ? -1.771 -6.475 10.904 1.00 73.66 4 A 1 ATOM 29 C CZ . ARG A 1 4 ? -1.942 -5.416 11.683 1.00 70.39 4 A 1 ATOM 30 N NH1 . ARG A 1 4 ? -1.526 -4.227 11.327 1.00 64.28 4 A 1 ATOM 31 N NH2 . ARG A 1 4 ? -2.550 -5.538 12.832 1.00 62.74 4 A 1 ATOM 32 N N . MET A 1 5 ? 1.029 -7.639 4.854 1.00 93.71 5 A 1 ATOM 33 C CA . MET A 1 5 ? 1.856 -7.023 3.818 1.00 94.85 5 A 1 ATOM 34 C C . MET A 1 5 ? 1.020 -6.641 2.597 1.00 96.09 5 A 1 ATOM 35 O O . MET A 1 5 ? 1.143 -5.529 2.099 1.00 94.71 5 A 1 ATOM 36 C CB . MET A 1 5 ? 3.006 -7.951 3.423 1.00 93.18 5 A 1 ATOM 37 C CG . MET A 1 5 ? 4.334 -7.402 3.920 1.00 84.71 5 A 1 ATOM 38 S SD . MET A 1 5 ? 5.750 -8.066 3.039 1.00 75.45 5 A 1 ATOM 39 C CE . MET A 1 5 ? 6.917 -6.735 3.268 1.00 66.14 5 A 1 ATOM 40 N N . MET A 1 6 ? 0.152 -7.529 2.146 1.00 95.19 6 A 1 ATOM 41 C CA . MET A 1 6 ? -0.730 -7.249 1.011 1.00 95.48 6 A 1 ATOM 42 C C . MET A 1 6 ? -1.665 -6.074 1.308 1.00 96.32 6 A 1 ATOM 43 O O . MET A 1 6 ? -1.831 -5.191 0.471 1.00 95.09 6 A 1 ATOM 44 C CB . MET A 1 6 ? -1.541 -8.493 0.658 1.00 93.59 6 A 1 ATOM 45 C CG . MET A 1 6 ? -0.698 -9.501 -0.113 1.00 86.33 6 A 1 ATOM 46 S SD . MET A 1 6 ? -1.681 -10.864 -0.760 1.00 78.22 6 A 1 ATOM 47 C CE . MET A 1 6 ? -0.465 -11.636 -1.832 1.00 68.86 6 A 1 ATOM 48 N N . PHE A 1 7 ? -2.222 -6.031 2.521 1.00 95.65 7 A 1 ATOM 49 C CA . PHE A 1 7 ? -3.087 -4.934 2.935 1.00 96.18 7 A 1 ATOM 50 C C . PHE A 1 7 ? -2.315 -3.614 2.986 1.00 96.89 7 A 1 ATOM 51 O O . PHE A 1 7 ? -2.813 -2.586 2.532 1.00 96.39 7 A 1 ATOM 52 C CB . PHE A 1 7 ? -3.699 -5.269 4.291 1.00 95.68 7 A 1 ATOM 53 C CG . PHE A 1 7 ? -4.835 -4.347 4.647 1.00 92.77 7 A 1 ATOM 54 C CD1 . PHE A 1 7 ? -6.110 -4.568 4.113 1.00 89.07 7 A 1 ATOM 55 C CD2 . PHE A 1 7 ? -4.627 -3.258 5.494 1.00 88.95 7 A 1 ATOM 56 C CE1 . PHE A 1 7 ? -7.166 -3.708 4.421 1.00 87.32 7 A 1 ATOM 57 C CE2 . PHE A 1 7 ? -5.680 -2.388 5.804 1.00 88.18 7 A 1 ATOM 58 C CZ . PHE A 1 7 ? -6.950 -2.615 5.266 1.00 87.10 7 A 1 ATOM 59 N N . THR A 1 8 ? -1.084 -3.648 3.488 1.00 96.22 8 A 1 ATOM 60 C CA . THR A 1 8 ? -0.222 -2.462 3.557 1.00 96.65 8 A 1 ATOM 61 C C . THR A 1 8 ? 0.134 -1.957 2.160 1.00 97.15 8 A 1 ATOM 62 O O . THR A 1 8 ? 0.130 -0.752 1.928 1.00 96.84 8 A 1 ATOM 63 C CB . THR A 1 8 ? 1.059 -2.773 4.340 1.00 96.29 8 A 1 ATOM 64 O OG1 . THR A 1 8 ? 0.727 -3.265 5.619 1.00 89.51 8 A 1 ATOM 65 C CG2 . THR A 1 8 ? 1.916 -1.534 4.553 1.00 85.94 8 A 1 ATOM 66 N N . VAL A 1 9 ? 0.415 -2.853 1.232 1.00 96.87 9 A 1 ATOM 67 C CA . VAL A 1 9 ? 0.710 -2.483 -0.158 1.00 96.98 9 A 1 ATOM 68 C C . VAL A 1 9 ? -0.505 -1.812 -0.801 1.00 97.13 9 A 1 ATOM 69 O O . VAL A 1 9 ? -0.365 -0.787 -1.464 1.00 96.52 9 A 1 ATOM 70 C CB . VAL A 1 9 ? 1.156 -3.713 -0.967 1.00 96.39 9 A 1 ATOM 71 C CG1 . VAL A 1 9 ? 1.258 -3.408 -2.458 1.00 92.34 9 A 1 ATOM 72 C CG2 . VAL A 1 9 ? 2.526 -4.190 -0.490 1.00 92.02 9 A 1 ATOM 73 N N . PHE A 1 10 ? -1.693 -2.356 -0.570 1.00 96.60 10 A 1 ATOM 74 C CA . PHE A 1 10 ? -2.924 -1.764 -1.092 1.00 96.43 10 A 1 ATOM 75 C C . PHE A 1 10 ? -3.160 -0.366 -0.515 1.00 96.80 10 A 1 ATOM 76 O O . PHE A 1 10 ? -3.535 0.553 -1.243 1.00 96.32 10 A 1 ATOM 77 C CB . PHE A 1 10 ? -4.097 -2.694 -0.775 1.00 95.94 10 A 1 ATOM 78 C CG . PHE A 1 10 ? -5.037 -2.834 -1.945 1.00 92.69 10 A 1 ATOM 79 C CD1 . PHE A 1 10 ? -6.047 -1.895 -2.163 1.00 89.42 10 A 1 ATOM 80 C CD2 . PHE A 1 10 ? -4.886 -3.903 -2.834 1.00 89.58 10 A 1 ATOM 81 C CE1 . PHE A 1 10 ? -6.905 -2.018 -3.258 1.00 87.82 10 A 1 ATOM 82 C CE2 . PHE A 1 10 ? -5.744 -4.033 -3.928 1.00 88.30 10 A 1 ATOM 83 C CZ . PHE A 1 10 ? -6.754 -3.091 -4.141 1.00 87.60 10 A 1 ATOM 84 N N . LEU A 1 11 ? -2.884 -0.195 0.776 1.00 97.07 11 A 1 ATOM 85 C CA . LEU A 1 11 ? -2.977 1.104 1.436 1.00 97.04 11 A 1 ATOM 86 C C . LEU A 1 11 ? -1.977 2.101 0.851 1.00 97.35 11 A 1 ATOM 87 O O . LEU A 1 11 ? -2.321 3.257 0.629 1.00 97.07 11 A 1 ATOM 88 C CB . LEU A 1 11 ? -2.739 0.940 2.941 1.00 96.67 11 A 1 ATOM 89 C CG . LEU A 1 11 ? -3.810 1.648 3.776 1.00 89.45 11 A 1 ATOM 90 C CD1 . LEU A 1 11 ? -5.003 0.723 4.009 1.00 88.53 11 A 1 ATOM 91 C CD2 . LEU A 1 11 ? -3.231 2.076 5.113 1.00 88.58 11 A 1 ATOM 92 N N . LEU A 1 12 ? -0.756 1.652 0.581 1.00 96.94 12 A 1 ATOM 93 C CA . LEU A 1 12 ? 0.285 2.486 -0.020 1.00 97.02 12 A 1 ATOM 94 C C . LEU A 1 12 ? -0.122 2.967 -1.408 1.00 97.45 12 A 1 ATOM 95 O O . LEU A 1 12 ? 0.084 4.135 -1.737 1.00 97.08 12 A 1 ATOM 96 C CB . LEU A 1 12 ? 1.595 1.688 -0.091 1.00 96.55 12 A 1 ATOM 97 C CG . LEU A 1 12 ? 2.523 1.965 1.092 1.00 90.16 12 A 1 ATOM 98 C CD1 . LEU A 1 12 ? 3.482 0.800 1.301 1.00 88.51 12 A 1 ATOM 99 C CD2 . LEU A 1 12 ? 3.335 3.234 0.843 1.00 88.11 12 A 1 ATOM 100 N N . VAL A 1 13 ? -0.709 2.098 -2.209 1.00 97.46 13 A 1 ATOM 101 C CA . VAL A 1 13 ? -1.186 2.464 -3.545 1.00 97.32 13 A 1 ATOM 102 C C . VAL A 1 13 ? -2.309 3.494 -3.448 1.00 97.63 13 A 1 ATOM 103 O O . VAL A 1 13 ? -2.297 4.489 -4.175 1.00 97.21 13 A 1 ATOM 104 C CB . VAL A 1 13 ? -1.644 1.214 -4.314 1.00 96.60 13 A 1 ATOM 105 C CG1 . VAL A 1 13 ? -2.292 1.582 -5.644 1.00 94.26 13 A 1 ATOM 106 C CG2 . VAL A 1 13 ? -0.457 0.300 -4.603 1.00 94.40 13 A 1 ATOM 107 N N . ALA A 1 14 ? -3.240 3.300 -2.535 1.00 97.55 14 A 1 ATOM 108 C CA . ALA A 1 14 ? -4.317 4.259 -2.307 1.00 97.49 14 A 1 ATOM 109 C C . ALA A 1 14 ? -3.770 5.617 -1.848 1.00 97.77 14 A 1 ATOM 110 O O . ALA A 1 14 ? -4.210 6.659 -2.331 1.00 96.90 14 A 1 ATOM 111 C CB . ALA A 1 14 ? -5.285 3.673 -1.280 1.00 96.87 14 A 1 ATOM 112 N N . LEU A 1 15 ? -2.778 5.603 -0.969 1.00 97.55 15 A 1 ATOM 113 C CA . LEU A 1 15 ? -2.123 6.818 -0.489 1.00 97.43 15 A 1 ATOM 114 C C . LEU A 1 15 ? -1.375 7.520 -1.615 1.00 97.72 15 A 1 ATOM 115 O O . LEU A 1 15 ? -1.460 8.739 -1.745 1.00 97.08 15 A 1 ATOM 116 C CB . LEU A 1 15 ? -1.167 6.468 0.656 1.00 96.87 15 A 1 ATOM 117 C CG . LEU A 1 15 ? -1.254 7.466 1.814 1.00 90.66 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? -1.820 6.784 3.056 1.00 88.15 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? 0.115 8.044 2.134 1.00 88.38 15 A 1 ATOM 120 N N . ALA A 1 16 ? -0.670 6.767 -2.452 1.00 97.74 16 A 1 ATOM 121 C CA . ALA A 1 16 ? 0.043 7.334 -3.596 1.00 97.64 16 A 1 ATOM 122 C C . ALA A 1 16 ? -0.924 8.026 -4.561 1.00 97.76 16 A 1 ATOM 123 O O . ALA A 1 16 ? -0.625 9.102 -5.072 1.00 96.76 16 A 1 ATOM 124 C CB . ALA A 1 16 ? 0.822 6.222 -4.296 1.00 97.04 16 A 1 ATOM 125 N N . THR A 1 17 ? -2.090 7.451 -4.769 1.00 97.97 17 A 1 ATOM 126 C CA . THR A 1 17 ? -3.117 8.051 -5.621 1.00 97.68 17 A 1 ATOM 127 C C . THR A 1 17 ? -3.621 9.369 -5.039 1.00 97.70 17 A 1 ATOM 128 O O . THR A 1 17 ? -3.789 10.335 -5.782 1.00 96.08 17 A 1 ATOM 129 C CB . THR A 1 17 ? -4.283 7.079 -5.812 1.00 96.51 17 A 1 ATOM 130 O OG1 . THR A 1 17 ? -3.801 5.822 -6.247 1.00 89.21 17 A 1 ATOM 131 C CG2 . THR A 1 17 ? -5.249 7.572 -6.880 1.00 87.63 17 A 1 ATOM 132 N N . THR A 1 18 ? -3.816 9.441 -3.731 1.00 97.62 18 A 1 ATOM 133 C CA . THR A 1 18 ? -4.276 10.679 -3.092 1.00 97.28 18 A 1 ATOM 134 C C . THR A 1 18 ? -3.200 11.759 -3.066 1.00 97.33 18 A 1 ATOM 135 O O . THR A 1 18 ? -3.524 12.938 -3.117 1.00 95.03 18 A 1 ATOM 136 C CB . THR A 1 18 ? -4.827 10.391 -1.690 1.00 95.97 18 A 1 ATOM 137 O OG1 . THR A 1 18 ? -5.733 11.420 -1.349 1.00 88.47 18 A 1 ATOM 138 C CG2 . THR A 1 18 ? -3.781 10.328 -0.598 1.00 86.78 18 A 1 ATOM 139 N N . VAL A 1 19 ? -1.926 11.374 -3.021 1.00 96.79 19 A 1 ATOM 140 C CA . VAL A 1 19 ? -0.809 12.331 -3.049 1.00 96.23 19 A 1 ATOM 141 C C . VAL A 1 19 ? -0.695 12.996 -4.419 1.00 96.11 19 A 1 ATOM 142 O O . VAL A 1 19 ? -0.385 14.183 -4.507 1.00 93.93 19 A 1 ATOM 143 C CB . VAL A 1 19 ? 0.507 11.635 -2.666 1.00 94.69 19 A 1 ATOM 144 C CG1 . VAL A 1 19 ? 1.724 12.515 -2.929 1.00 87.86 19 A 1 ATOM 145 C CG2 . VAL A 1 19 ? 0.502 11.272 -1.186 1.00 88.69 19 A 1 ATOM 146 N N . VAL A 1 20 ? -0.949 12.245 -5.477 1.00 96.42 20 A 1 ATOM 147 C CA . VAL A 1 20 ? -0.901 12.781 -6.842 1.00 95.77 20 A 1 ATOM 148 C C . VAL A 1 20 ? -2.121 13.652 -7.134 1.00 95.37 20 A 1 ATOM 149 O O . VAL A 1 20 ? -2.023 14.610 -7.905 1.00 92.46 20 A 1 ATOM 150 C CB . VAL A 1 20 ? -0.777 11.631 -7.857 1.00 93.66 20 A 1 ATOM 151 C CG1 . VAL A 1 20 ? -0.871 12.124 -9.298 1.00 86.88 20 A 1 ATOM 152 C CG2 . VAL A 1 20 ? 0.557 10.912 -7.692 1.00 88.10 20 A 1 ATOM 153 N N . SER A 1 21 ? -3.231 13.345 -6.503 1.00 93.58 21 A 1 ATOM 154 C CA . SER A 1 21 ? -4.484 14.070 -6.707 1.00 91.42 21 A 1 ATOM 155 C C . SER A 1 21 ? -4.529 15.366 -5.895 1.00 87.60 21 A 1 ATOM 156 O O . SER A 1 21 ? -5.044 16.375 -6.400 1.00 79.87 21 A 1 ATOM 157 C CB . SER A 1 21 ? -5.668 13.167 -6.357 1.00 86.70 21 A 1 ATOM 158 O OG . SER A 1 21 ? -6.746 13.429 -7.219 1.00 78.30 21 A 1 ATOM 159 O OXT . SER A 1 21 ? -4.076 15.324 -4.737 1.00 79.38 21 A 1 #