# 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_spkb07504 # _entry.id spkb07504 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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" "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 CYS 2 1 n ARG 3 1 n ILE 4 1 n VAL 5 1 n GLY 6 1 n ALA 7 1 n PRO 8 1 n ARG 9 1 n THR 10 1 n LEU 11 1 n LEU 12 1 n PRO 13 1 n LEU 14 1 n LEU 15 1 n ALA 16 1 n ALA 17 1 n LEU 18 1 n LEU 19 1 n GLN 20 1 n ALA 21 1 n SER 22 1 n VAL 23 1 n GLU 24 1 n ALA 25 # _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 @ 2025-07-09 12:41:45)" _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 87.70 _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 67.68 1 1 A CYS 2 2 70.71 1 2 A ARG 3 2 72.04 1 3 A ILE 4 2 80.22 1 4 A VAL 5 2 83.83 1 5 A GLY 6 2 86.26 1 6 A ALA 7 2 88.66 1 7 A PRO 8 2 88.79 1 8 A ARG 9 2 82.91 1 9 A THR 10 2 89.83 1 10 A LEU 11 2 90.74 1 11 A LEU 12 2 91.59 1 12 A PRO 13 2 93.92 1 13 A LEU 14 2 92.07 1 14 A LEU 15 2 91.92 1 15 A ALA 16 2 96.34 1 16 A ALA 17 2 96.65 1 17 A LEU 18 2 94.16 1 18 A LEU 19 2 93.92 1 19 A GLN 20 2 90.27 1 20 A ALA 21 2 97.71 1 21 A SER 22 2 95.66 1 22 A VAL 23 2 95.55 1 23 A GLU 24 2 89.17 1 24 A ALA 25 2 88.75 1 25 # _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 CYS . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n GLN . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n VAL . 23 A 23 A 24 1 n GLU . 24 A 24 A 25 1 n ALA . 25 A 25 # _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 ? -10.141 7.007 -8.004 1.00 72.76 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.972 6.053 -6.895 1.00 73.40 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.077 6.236 -5.862 1.00 72.82 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.486 7.363 -5.577 1.00 66.78 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.611 6.246 -6.216 1.00 69.55 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.425 7.650 -5.629 1.00 65.72 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.802 7.906 -4.923 1.00 63.52 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.796 8.019 -6.392 1.00 56.91 1 A 1 ATOM 9 N N . CYS A 1 2 ? -11.578 5.141 -5.310 1.00 75.62 2 A 1 ATOM 10 C CA . CYS A 1 2 ? -12.654 5.203 -4.328 1.00 74.51 2 A 1 ATOM 11 C C . CYS A 1 2 ? -12.362 4.281 -3.146 1.00 74.67 2 A 1 ATOM 12 O O . CYS A 1 2 ? -12.520 3.070 -3.243 1.00 69.77 2 A 1 ATOM 13 C CB . CYS A 1 2 ? -13.980 4.811 -4.980 1.00 69.24 2 A 1 ATOM 14 S SG . CYS A 1 2 ? -14.428 5.873 -6.378 1.00 60.46 2 A 1 ATOM 15 N N . ARG A 1 3 ? -11.943 4.873 -2.030 1.00 80.11 3 A 1 ATOM 16 C CA . ARG A 1 3 ? -11.676 4.105 -0.815 1.00 83.08 3 A 1 ATOM 17 C C . ARG A 1 3 ? -12.973 3.948 -0.035 1.00 83.99 3 A 1 ATOM 18 O O . ARG A 1 3 ? -13.201 4.648 0.954 1.00 81.86 3 A 1 ATOM 19 C CB . ARG A 1 3 ? -10.619 4.811 0.035 1.00 79.91 3 A 1 ATOM 20 C CG . ARG A 1 3 ? -9.307 5.017 -0.677 1.00 71.88 3 A 1 ATOM 21 C CD . ARG A 1 3 ? -8.661 3.692 -1.026 1.00 71.01 3 A 1 ATOM 22 N NE . ARG A 1 3 ? -8.381 2.889 0.162 1.00 65.14 3 A 1 ATOM 23 C CZ . ARG A 1 3 ? -7.879 1.663 0.135 1.00 61.55 3 A 1 ATOM 24 N NH1 . ARG A 1 3 ? -7.613 1.073 -1.014 1.00 56.76 3 A 1 ATOM 25 N NH2 . ARG A 1 3 ? -7.648 1.024 1.263 1.00 57.10 3 A 1 ATOM 26 N N . ILE A 1 4 ? -13.823 3.048 -0.505 1.00 83.65 4 A 1 ATOM 27 C CA . ILE A 1 4 ? -15.135 2.815 0.096 1.00 84.50 4 A 1 ATOM 28 C C . ILE A 1 4 ? -15.016 2.357 1.550 1.00 86.33 4 A 1 ATOM 29 O O . ILE A 1 4 ? -15.069 3.163 2.467 1.00 83.34 4 A 1 ATOM 30 C CB . ILE A 1 4 ? -15.933 1.784 -0.719 1.00 82.42 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? -15.993 2.207 -2.187 1.00 76.48 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? -17.335 1.653 -0.149 1.00 75.63 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? -16.626 1.156 -3.080 1.00 69.43 4 A 1 ATOM 34 N N . VAL A 1 5 ? -14.856 1.055 1.758 1.00 87.31 5 A 1 ATOM 35 C CA . VAL A 1 5 ? -14.760 0.492 3.103 1.00 87.29 5 A 1 ATOM 36 C C . VAL A 1 5 ? -13.318 0.113 3.415 1.00 88.73 5 A 1 ATOM 37 O O . VAL A 1 5 ? -13.036 -0.911 4.034 1.00 84.57 5 A 1 ATOM 38 C CB . VAL A 1 5 ? -15.672 -0.738 3.266 1.00 84.16 5 A 1 ATOM 39 C CG1 . VAL A 1 5 ? -15.790 -1.139 4.730 1.00 76.30 5 A 1 ATOM 40 C CG2 . VAL A 1 5 ? -17.046 -0.459 2.684 1.00 78.45 5 A 1 ATOM 41 N N . GLY A 1 6 ? -12.390 0.967 2.968 1.00 85.07 6 A 1 ATOM 42 C CA . GLY A 1 6 ? -10.980 0.693 3.183 1.00 85.44 6 A 1 ATOM 43 C C . GLY A 1 6 ? -10.571 -0.623 2.567 1.00 87.86 6 A 1 ATOM 44 O O . GLY A 1 6 ? -9.981 -1.468 3.237 1.00 86.66 6 A 1 ATOM 45 N N . ALA A 1 7 ? -10.896 -0.790 1.298 1.00 88.28 7 A 1 ATOM 46 C CA . ALA A 1 7 ? -10.618 -2.025 0.581 1.00 89.23 7 A 1 ATOM 47 C C . ALA A 1 7 ? -9.143 -2.416 0.686 1.00 90.98 7 A 1 ATOM 48 O O . ALA A 1 7 ? -8.269 -1.645 0.285 1.00 89.34 7 A 1 ATOM 49 C CB . ALA A 1 7 ? -11.015 -1.880 -0.881 1.00 85.49 7 A 1 ATOM 50 N N . PRO A 1 8 ? -8.846 -3.607 1.222 1.00 89.98 8 A 1 ATOM 51 C CA . PRO A 1 8 ? -7.471 -4.096 1.375 1.00 90.69 8 A 1 ATOM 52 C C . PRO A 1 8 ? -6.809 -4.353 0.029 1.00 91.58 8 A 1 ATOM 53 O O . PRO A 1 8 ? -5.606 -4.602 -0.044 1.00 88.81 8 A 1 ATOM 54 C CB . PRO A 1 8 ? -7.641 -5.396 2.167 1.00 87.88 8 A 1 ATOM 55 C CG . PRO A 1 8 ? -9.030 -5.841 1.845 1.00 84.77 8 A 1 ATOM 56 C CD . PRO A 1 8 ? -9.825 -4.567 1.713 1.00 87.85 8 A 1 ATOM 57 N N . ARG A 1 9 ? -7.603 -4.279 -1.037 1.00 91.59 9 A 1 ATOM 58 C CA . ARG A 1 9 ? -7.115 -4.469 -2.400 1.00 92.32 9 A 1 ATOM 59 C C . ARG A 1 9 ? -6.000 -3.487 -2.714 1.00 93.70 9 A 1 ATOM 60 O O . ARG A 1 9 ? -5.091 -3.793 -3.486 1.00 92.33 9 A 1 ATOM 61 C CB . ARG A 1 9 ? -8.285 -4.272 -3.375 1.00 90.65 9 A 1 ATOM 62 C CG . ARG A 1 9 ? -7.904 -4.378 -4.828 1.00 83.18 9 A 1 ATOM 63 C CD . ARG A 1 9 ? -7.543 -5.802 -5.229 1.00 81.48 9 A 1 ATOM 64 N NE . ARG A 1 9 ? -6.220 -6.189 -4.748 1.00 76.60 9 A 1 ATOM 65 C CZ . ARG A 1 9 ? -5.643 -7.353 -5.001 1.00 74.78 9 A 1 ATOM 66 N NH1 . ARG A 1 9 ? -6.258 -8.255 -5.738 1.00 67.32 9 A 1 ATOM 67 N NH2 . ARG A 1 9 ? -4.450 -7.614 -4.514 1.00 68.11 9 A 1 ATOM 68 N N . THR A 1 10 ? -6.069 -2.295 -2.120 1.00 92.66 10 A 1 ATOM 69 C CA . THR A 1 10 ? -5.064 -1.258 -2.337 1.00 92.81 10 A 1 ATOM 70 C C . THR A 1 10 ? -4.074 -1.195 -1.178 1.00 93.92 10 A 1 ATOM 71 O O . THR A 1 10 ? -2.920 -0.811 -1.355 1.00 92.85 10 A 1 ATOM 72 C CB . THR A 1 10 ? -5.715 0.114 -2.507 1.00 91.31 10 A 1 ATOM 73 O OG1 . THR A 1 10 ? -6.727 0.049 -3.506 1.00 83.62 10 A 1 ATOM 74 C CG2 . THR A 1 10 ? -4.685 1.151 -2.914 1.00 81.62 10 A 1 ATOM 75 N N . LEU A 1 11 ? -4.516 -1.571 0.015 1.00 93.74 11 A 1 ATOM 76 C CA . LEU A 1 11 ? -3.655 -1.552 1.191 1.00 93.86 11 A 1 ATOM 77 C C . LEU A 1 11 ? -2.508 -2.551 1.069 1.00 94.80 11 A 1 ATOM 78 O O . LEU A 1 11 ? -1.376 -2.255 1.449 1.00 93.97 11 A 1 ATOM 79 C CB . LEU A 1 11 ? -4.464 -1.860 2.450 1.00 93.34 11 A 1 ATOM 80 C CG . LEU A 1 11 ? -5.490 -0.795 2.817 1.00 87.76 11 A 1 ATOM 81 C CD1 . LEU A 1 11 ? -6.336 -1.263 3.988 1.00 84.40 11 A 1 ATOM 82 C CD2 . LEU A 1 11 ? -4.795 0.514 3.161 1.00 84.07 11 A 1 ATOM 83 N N . LEU A 1 12 ? -2.804 -3.722 0.528 1.00 94.75 12 A 1 ATOM 84 C CA . LEU A 1 12 ? -1.790 -4.759 0.357 1.00 94.60 12 A 1 ATOM 85 C C . LEU A 1 12 ? -0.618 -4.291 -0.511 1.00 95.36 12 A 1 ATOM 86 O O . LEU A 1 12 ? 0.535 -4.386 -0.084 1.00 95.05 12 A 1 ATOM 87 C CB . LEU A 1 12 ? -2.422 -6.018 -0.234 1.00 93.96 12 A 1 ATOM 88 C CG . LEU A 1 12 ? -3.358 -6.756 0.717 1.00 88.28 12 A 1 ATOM 89 C CD1 . LEU A 1 12 ? -4.053 -7.896 -0.007 1.00 85.58 12 A 1 ATOM 90 C CD2 . LEU A 1 12 ? -2.580 -7.281 1.917 1.00 85.13 12 A 1 ATOM 91 N N . PRO A 1 13 ? -0.880 -3.787 -1.732 1.00 94.39 13 A 1 ATOM 92 C CA . PRO A 1 13 ? 0.210 -3.317 -2.597 1.00 94.54 13 A 1 ATOM 93 C C . PRO A 1 13 ? 0.923 -2.097 -2.030 1.00 95.77 13 A 1 ATOM 94 O O . PRO A 1 13 ? 2.126 -1.939 -2.226 1.00 95.12 13 A 1 ATOM 95 C CB . PRO A 1 13 ? -0.486 -2.993 -3.922 1.00 93.10 13 A 1 ATOM 96 C CG . PRO A 1 13 ? -1.911 -2.765 -3.546 1.00 91.21 13 A 1 ATOM 97 C CD . PRO A 1 13 ? -2.164 -3.700 -2.390 1.00 93.31 13 A 1 ATOM 98 N N . LEU A 1 14 ? 0.201 -1.231 -1.321 1.00 94.79 14 A 1 ATOM 99 C CA . LEU A 1 14 ? 0.802 -0.047 -0.726 1.00 94.74 14 A 1 ATOM 100 C C . LEU A 1 14 ? 1.792 -0.437 0.368 1.00 95.85 14 A 1 ATOM 101 O O . LEU A 1 14 ? 2.901 0.092 0.434 1.00 95.26 14 A 1 ATOM 102 C CB . LEU A 1 14 ? -0.277 0.869 -0.146 1.00 94.23 14 A 1 ATOM 103 C CG . LEU A 1 14 ? -1.104 1.611 -1.194 1.00 89.01 14 A 1 ATOM 104 C CD1 . LEU A 1 14 ? -2.236 2.377 -0.526 1.00 86.43 14 A 1 ATOM 105 C CD2 . LEU A 1 14 ? -0.224 2.568 -1.985 1.00 86.26 14 A 1 ATOM 106 N N . LEU A 1 15 ? 1.389 -1.363 1.226 1.00 95.28 15 A 1 ATOM 107 C CA . LEU A 1 15 ? 2.258 -1.834 2.296 1.00 94.91 15 A 1 ATOM 108 C C . LEU A 1 15 ? 3.478 -2.538 1.718 1.00 96.01 15 A 1 ATOM 109 O O . LEU A 1 15 ? 4.599 -2.365 2.205 1.00 95.80 15 A 1 ATOM 110 C CB . LEU A 1 15 ? 1.494 -2.787 3.215 1.00 94.28 15 A 1 ATOM 111 C CG . LEU A 1 15 ? 0.439 -2.106 4.079 1.00 88.86 15 A 1 ATOM 112 C CD1 . LEU A 1 15 ? -0.399 -3.150 4.804 1.00 84.95 15 A 1 ATOM 113 C CD2 . LEU A 1 15 ? 1.101 -1.172 5.083 1.00 85.30 15 A 1 ATOM 114 N N . ALA A 1 16 ? 3.256 -3.323 0.670 1.00 96.50 16 A 1 ATOM 115 C CA . ALA A 1 16 ? 4.342 -4.026 0.005 1.00 96.41 16 A 1 ATOM 116 C C . ALA A 1 16 ? 5.321 -3.042 -0.624 1.00 96.93 16 A 1 ATOM 117 O O . ALA A 1 16 ? 6.535 -3.230 -0.550 1.00 96.30 16 A 1 ATOM 118 C CB . ALA A 1 16 ? 3.780 -4.956 -1.063 1.00 95.56 16 A 1 ATOM 119 N N . ALA A 1 17 ? 4.795 -1.980 -1.233 1.00 96.89 17 A 1 ATOM 120 C CA . ALA A 1 17 ? 5.625 -0.960 -1.863 1.00 96.72 17 A 1 ATOM 121 C C . ALA A 1 17 ? 6.483 -0.238 -0.829 1.00 97.18 17 A 1 ATOM 122 O O . ALA A 1 17 ? 7.664 0.018 -1.060 1.00 96.29 17 A 1 ATOM 123 C CB . ALA A 1 17 ? 4.753 0.043 -2.607 1.00 96.16 17 A 1 ATOM 124 N N . LEU A 1 18 ? 5.893 0.087 0.321 1.00 97.52 18 A 1 ATOM 125 C CA . LEU A 1 18 ? 6.616 0.770 1.388 1.00 96.90 18 A 1 ATOM 126 C C . LEU A 1 18 ? 7.721 -0.118 1.941 1.00 97.02 18 A 1 ATOM 127 O O . LEU A 1 18 ? 8.836 0.343 2.199 1.00 96.15 18 A 1 ATOM 128 C CB . LEU A 1 18 ? 5.653 1.160 2.513 1.00 96.34 18 A 1 ATOM 129 C CG . LEU A 1 18 ? 4.658 2.259 2.143 1.00 91.95 18 A 1 ATOM 130 C CD1 . LEU A 1 18 ? 3.625 2.431 3.250 1.00 88.46 18 A 1 ATOM 131 C CD2 . LEU A 1 18 ? 5.386 3.574 1.900 1.00 88.90 18 A 1 ATOM 132 N N . LEU A 1 19 ? 7.409 -1.389 2.119 1.00 97.26 19 A 1 ATOM 133 C CA . LEU A 1 19 ? 8.390 -2.343 2.620 1.00 96.89 19 A 1 ATOM 134 C C . LEU A 1 19 ? 9.542 -2.498 1.637 1.00 97.07 19 A 1 ATOM 135 O O . LEU A 1 19 ? 10.713 -2.486 2.029 1.00 96.47 19 A 1 ATOM 136 C CB . LEU A 1 19 ? 7.728 -3.700 2.861 1.00 96.52 19 A 1 ATOM 137 C CG . LEU A 1 19 ? 8.659 -4.761 3.441 1.00 92.31 19 A 1 ATOM 138 C CD1 . LEU A 1 19 ? 9.156 -4.345 4.816 1.00 87.42 19 A 1 ATOM 139 C CD2 . LEU A 1 19 ? 7.939 -6.097 3.524 1.00 87.45 19 A 1 ATOM 140 N N . GLN A 1 20 ? 9.208 -2.632 0.356 1.00 95.90 20 A 1 ATOM 141 C CA . GLN A 1 20 ? 10.221 -2.774 -0.684 1.00 95.58 20 A 1 ATOM 142 C C . GLN A 1 20 ? 11.085 -1.526 -0.774 1.00 95.98 20 A 1 ATOM 143 O O . GLN A 1 20 ? 12.300 -1.615 -0.958 1.00 95.28 20 A 1 ATOM 144 C CB . GLN A 1 20 ? 9.554 -3.039 -2.036 1.00 94.57 20 A 1 ATOM 145 C CG . GLN A 1 20 ? 8.945 -4.423 -2.115 1.00 87.27 20 A 1 ATOM 146 C CD . GLN A 1 20 ? 10.010 -5.512 -2.038 1.00 85.21 20 A 1 ATOM 147 O OE1 . GLN A 1 20 ? 10.940 -5.528 -2.834 1.00 82.49 20 A 1 ATOM 148 N NE2 . GLN A 1 20 ? 9.892 -6.412 -1.085 1.00 80.18 20 A 1 ATOM 149 N N . ALA A 1 21 ? 10.471 -0.356 -0.631 1.00 97.82 21 A 1 ATOM 150 C CA . ALA A 1 21 ? 11.207 0.906 -0.685 1.00 97.83 21 A 1 ATOM 151 C C . ALA A 1 21 ? 12.205 1.001 0.462 1.00 98.07 21 A 1 ATOM 152 O O . ALA A 1 21 ? 13.305 1.525 0.296 1.00 97.39 21 A 1 ATOM 153 C CB . ALA A 1 21 ? 10.237 2.080 -0.628 1.00 97.42 21 A 1 ATOM 154 N N . SER A 1 22 ? 11.832 0.489 1.635 1.00 97.77 22 A 1 ATOM 155 C CA . SER A 1 22 ? 12.702 0.517 2.804 1.00 97.63 22 A 1 ATOM 156 C C . SER A 1 22 ? 13.881 -0.438 2.645 1.00 97.71 22 A 1 ATOM 157 O O . SER A 1 22 ? 14.984 -0.162 3.116 1.00 96.81 22 A 1 ATOM 158 C CB . SER A 1 22 ? 11.919 0.148 4.064 1.00 96.90 22 A 1 ATOM 159 O OG . SER A 1 22 ? 10.868 1.068 4.286 1.00 87.12 22 A 1 ATOM 160 N N . VAL A 1 23 ? 13.645 -1.567 1.986 1.00 97.63 23 A 1 ATOM 161 C CA . VAL A 1 23 ? 14.692 -2.568 1.773 1.00 97.52 23 A 1 ATOM 162 C C . VAL A 1 23 ? 15.554 -2.243 0.557 1.00 97.65 23 A 1 ATOM 163 O O . VAL A 1 23 ? 16.782 -2.332 0.608 1.00 96.87 23 A 1 ATOM 164 C CB . VAL A 1 23 ? 14.085 -3.971 1.607 1.00 96.66 23 A 1 ATOM 165 C CG1 . VAL A 1 23 ? 15.176 -5.005 1.364 1.00 91.60 23 A 1 ATOM 166 C CG2 . VAL A 1 23 ? 13.277 -4.344 2.842 1.00 90.94 23 A 1 ATOM 167 N N . GLU A 1 24 ? 14.894 -1.871 -0.545 1.00 95.93 24 A 1 ATOM 168 C CA . GLU A 1 24 ? 15.600 -1.567 -1.791 1.00 95.52 24 A 1 ATOM 169 C C . GLU A 1 24 ? 16.327 -0.229 -1.727 1.00 95.52 24 A 1 ATOM 170 O O . GLU A 1 24 ? 17.479 -0.115 -2.148 1.00 93.79 24 A 1 ATOM 171 C CB . GLU A 1 24 ? 14.613 -1.554 -2.960 1.00 93.98 24 A 1 ATOM 172 C CG . GLU A 1 24 ? 13.989 -2.919 -3.232 1.00 87.94 24 A 1 ATOM 173 C CD . GLU A 1 24 ? 15.040 -3.932 -3.664 1.00 84.43 24 A 1 ATOM 174 O OE1 . GLU A 1 24 ? 15.905 -3.580 -4.477 1.00 75.56 24 A 1 ATOM 175 O OE2 . GLU A 1 24 ? 14.990 -5.077 -3.183 1.00 79.84 24 A 1 ATOM 176 N N . ALA A 1 25 ? 15.663 0.797 -1.199 1.00 94.67 25 A 1 ATOM 177 C CA . ALA A 1 25 ? 16.229 2.148 -1.111 1.00 93.11 25 A 1 ATOM 178 C C . ALA A 1 25 ? 16.580 2.496 0.335 1.00 90.08 25 A 1 ATOM 179 O O . ALA A 1 25 ? 15.792 3.179 1.005 1.00 84.96 25 A 1 ATOM 180 C CB . ALA A 1 25 ? 15.251 3.160 -1.688 1.00 89.89 25 A 1 ATOM 181 O OXT . ALA A 1 25 ? 17.674 2.101 0.784 1.00 79.80 25 A 1 #