# 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_spkb34647 # _entry.id spkb34647 # 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 "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 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 PHE 5 1 n THR 6 1 n SER 7 1 n ILE 8 1 n LEU 9 1 n LEU 10 1 n GLY 11 1 n LEU 12 1 n LEU 13 1 n LEU 14 1 n LEU 15 1 n VAL 16 1 n THR 17 1 n GLY 18 1 n THR 19 1 n ARG 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 @ 2025-07-13 06:35:07)" _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 91.39 _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 86.27 1 1 A VAL 2 2 94.22 1 2 A ARG 3 2 85.53 1 3 A ILE 4 2 94.31 1 4 A PHE 5 2 93.22 1 5 A THR 6 2 95.12 1 6 A SER 7 2 94.95 1 7 A ILE 8 2 95.43 1 8 A LEU 9 2 93.50 1 9 A LEU 10 2 93.39 1 10 A GLY 11 2 96.64 1 11 A LEU 12 2 94.32 1 12 A LEU 13 2 93.88 1 13 A LEU 14 2 94.68 1 14 A LEU 15 2 93.40 1 15 A VAL 16 2 94.65 1 16 A THR 17 2 92.21 1 17 A GLY 18 2 94.19 1 18 A THR 19 2 89.48 1 19 A ARG 20 2 80.63 1 20 A SER 21 2 79.31 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 PHE . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 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 LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n ARG . 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 ? -13.098 -1.982 7.045 1.00 93.04 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.929 -2.580 7.720 1.00 94.77 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.856 -2.947 6.702 1.00 95.01 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.731 -2.456 6.778 1.00 92.46 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.353 -3.821 8.510 1.00 89.41 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.224 -4.406 9.331 1.00 79.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.746 -5.801 10.336 1.00 76.90 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.805 -4.964 11.512 1.00 68.76 1 A 1 ATOM 9 N N . VAL A 1 2 ? -11.232 -3.810 5.768 1.00 96.50 2 A 1 ATOM 10 C CA . VAL A 1 2 ? -10.297 -4.223 4.722 1.00 97.05 2 A 1 ATOM 11 C C . VAL A 1 2 ? -9.888 -3.030 3.868 1.00 97.41 2 A 1 ATOM 12 O O . VAL A 1 2 ? -8.721 -2.879 3.488 1.00 96.23 2 A 1 ATOM 13 C CB . VAL A 1 2 ? -10.911 -5.309 3.828 1.00 95.66 2 A 1 ATOM 14 C CG1 . VAL A 1 2 ? -9.940 -5.711 2.732 1.00 88.19 2 A 1 ATOM 15 C CG2 . VAL A 1 2 ? -11.305 -6.514 4.659 1.00 88.52 2 A 1 ATOM 16 N N . ARG A 1 3 ? -10.868 -2.180 3.584 1.00 96.74 3 A 1 ATOM 17 C CA . ARG A 1 3 ? -10.618 -0.974 2.793 1.00 97.07 3 A 1 ATOM 18 C C . ARG A 1 3 ? -9.587 -0.090 3.474 1.00 97.56 3 A 1 ATOM 19 O O . ARG A 1 3 ? -8.720 0.497 2.824 1.00 96.47 3 A 1 ATOM 20 C CB . ARG A 1 3 ? -11.935 -0.217 2.600 1.00 95.76 3 A 1 ATOM 21 C CG . ARG A 1 3 ? -11.813 1.050 1.786 1.00 87.44 3 A 1 ATOM 22 C CD . ARG A 1 3 ? -11.553 0.766 0.319 1.00 85.25 3 A 1 ATOM 23 N NE . ARG A 1 3 ? -10.132 0.740 0.011 1.00 77.90 3 A 1 ATOM 24 C CZ . ARG A 1 3 ? -9.646 0.621 -1.219 1.00 72.98 3 A 1 ATOM 25 N NH1 . ARG A 1 3 ? -10.458 0.508 -2.250 1.00 66.19 3 A 1 ATOM 26 N NH2 . ARG A 1 3 ? -8.347 0.613 -1.412 1.00 67.43 3 A 1 ATOM 27 N N . ILE A 1 4 ? -9.682 -0.007 4.807 1.00 96.92 4 A 1 ATOM 28 C CA . ILE A 1 4 ? -8.743 0.785 5.595 1.00 97.16 4 A 1 ATOM 29 C C . ILE A 1 4 ? -7.341 0.202 5.478 1.00 97.53 4 A 1 ATOM 30 O O . ILE A 1 4 ? -6.360 0.929 5.302 1.00 97.09 4 A 1 ATOM 31 C CB . ILE A 1 4 ? -9.167 0.836 7.069 1.00 96.66 4 A 1 ATOM 32 C CG1 . ILE A 1 4 ? -10.571 1.432 7.206 1.00 92.77 4 A 1 ATOM 33 C CG2 . ILE A 1 4 ? -8.155 1.641 7.878 1.00 91.59 4 A 1 ATOM 34 C CD1 . ILE A 1 4 ? -10.688 2.839 6.632 1.00 84.73 4 A 1 ATOM 35 N N . PHE A 1 5 ? -7.255 -1.124 5.578 1.00 97.15 5 A 1 ATOM 36 C CA . PHE A 1 5 ? -5.979 -1.816 5.447 1.00 97.24 5 A 1 ATOM 37 C C . PHE A 1 5 ? -5.338 -1.498 4.102 1.00 97.64 5 A 1 ATOM 38 O O . PHE A 1 5 ? -4.147 -1.189 4.023 1.00 97.18 5 A 1 ATOM 39 C CB . PHE A 1 5 ? -6.183 -3.322 5.583 1.00 96.91 5 A 1 ATOM 40 C CG . PHE A 1 5 ? -4.970 -4.113 5.179 1.00 94.16 5 A 1 ATOM 41 C CD1 . PHE A 1 5 ? -3.830 -4.093 5.963 1.00 89.80 5 A 1 ATOM 42 C CD2 . PHE A 1 5 ? -4.974 -4.857 4.014 1.00 89.69 5 A 1 ATOM 43 C CE1 . PHE A 1 5 ? -2.708 -4.810 5.589 1.00 88.29 5 A 1 ATOM 44 C CE2 . PHE A 1 5 ? -3.852 -5.575 3.634 1.00 88.95 5 A 1 ATOM 45 C CZ . PHE A 1 5 ? -2.719 -5.550 4.421 1.00 88.42 5 A 1 ATOM 46 N N . THR A 1 6 ? -6.138 -1.561 3.054 1.00 97.78 6 A 1 ATOM 47 C CA . THR A 1 6 ? -5.655 -1.267 1.709 1.00 97.75 6 A 1 ATOM 48 C C . THR A 1 6 ? -5.176 0.177 1.616 1.00 97.89 6 A 1 ATOM 49 O O . THR A 1 6 ? -4.146 0.463 1.000 1.00 97.35 6 A 1 ATOM 50 C CB . THR A 1 6 ? -6.757 -1.501 0.670 1.00 97.12 6 A 1 ATOM 51 O OG1 . THR A 1 6 ? -7.287 -2.813 0.816 1.00 90.32 6 A 1 ATOM 52 C CG2 . THR A 1 6 ? -6.198 -1.347 -0.738 1.00 87.61 6 A 1 ATOM 53 N N . SER A 1 7 ? -5.907 1.083 2.247 1.00 97.54 7 A 1 ATOM 54 C CA . SER A 1 7 ? -5.542 2.496 2.251 1.00 97.46 7 A 1 ATOM 55 C C . SER A 1 7 ? -4.202 2.708 2.951 1.00 97.79 7 A 1 ATOM 56 O O . SER A 1 7 ? -3.357 3.465 2.477 1.00 97.06 7 A 1 ATOM 57 C CB . SER A 1 7 ? -6.621 3.319 2.943 1.00 96.59 7 A 1 ATOM 58 O OG . SER A 1 7 ? -7.852 3.192 2.265 1.00 83.29 7 A 1 ATOM 59 N N . ILE A 1 8 ? -4.025 2.028 4.076 1.00 97.38 8 A 1 ATOM 60 C CA . ILE A 1 8 ? -2.778 2.120 4.828 1.00 97.38 8 A 1 ATOM 61 C C . ILE A 1 8 ? -1.624 1.566 4.002 1.00 97.49 8 A 1 ATOM 62 O O . ILE A 1 8 ? -0.535 2.147 3.960 1.00 96.98 8 A 1 ATOM 63 C CB . ILE A 1 8 ? -2.884 1.358 6.158 1.00 97.34 8 A 1 ATOM 64 C CG1 . ILE A 1 8 ? -3.938 2.009 7.055 1.00 94.94 8 A 1 ATOM 65 C CG2 . ILE A 1 8 ? -1.529 1.333 6.860 1.00 93.87 8 A 1 ATOM 66 C CD1 . ILE A 1 8 ? -4.276 1.191 8.280 1.00 88.05 8 A 1 ATOM 67 N N . LEU A 1 9 ? -1.876 0.439 3.352 1.00 97.36 9 A 1 ATOM 68 C CA . LEU A 1 9 ? -0.863 -0.195 2.515 1.00 97.11 9 A 1 ATOM 69 C C . LEU A 1 9 ? -0.434 0.737 1.392 1.00 97.26 9 A 1 ATOM 70 O O . LEU A 1 9 ? 0.757 0.880 1.109 1.00 97.04 9 A 1 ATOM 71 C CB . LEU A 1 9 ? -1.406 -1.500 1.934 1.00 96.76 9 A 1 ATOM 72 C CG . LEU A 1 9 ? -0.407 -2.272 1.078 1.00 89.69 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? 0.797 -2.692 1.909 1.00 86.03 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? -1.074 -3.486 0.455 1.00 86.78 9 A 1 ATOM 75 N N . LEU A 1 10 ? -1.414 1.367 0.762 1.00 97.17 10 A 1 ATOM 76 C CA . LEU A 1 10 ? -1.140 2.307 -0.319 1.00 96.91 10 A 1 ATOM 77 C C . LEU A 1 10 ? -0.324 3.487 0.188 1.00 97.28 10 A 1 ATOM 78 O O . LEU A 1 10 ? 0.651 3.903 -0.441 1.00 96.90 10 A 1 ATOM 79 C CB . LEU A 1 10 ? -2.450 2.801 -0.926 1.00 96.35 10 A 1 ATOM 80 C CG . LEU A 1 10 ? -2.277 3.792 -2.072 1.00 89.74 10 A 1 ATOM 81 C CD1 . LEU A 1 10 ? -1.520 3.157 -3.224 1.00 86.34 10 A 1 ATOM 82 C CD2 . LEU A 1 10 ? -3.631 4.302 -2.531 1.00 86.44 10 A 1 ATOM 83 N N . GLY A 1 11 ? -0.733 4.025 1.335 1.00 96.66 11 A 1 ATOM 84 C CA . GLY A 1 11 ? -0.017 5.142 1.935 1.00 96.52 11 A 1 ATOM 85 C C . GLY A 1 11 ? 1.409 4.774 2.281 1.00 97.08 11 A 1 ATOM 86 O O . GLY A 1 11 ? 2.338 5.554 2.057 1.00 96.30 11 A 1 ATOM 87 N N . LEU A 1 12 ? 1.582 3.581 2.830 1.00 97.19 12 A 1 ATOM 88 C CA . LEU A 1 12 ? 2.906 3.090 3.193 1.00 97.20 12 A 1 ATOM 89 C C . LEU A 1 12 ? 3.779 2.944 1.957 1.00 97.38 12 A 1 ATOM 90 O O . LEU A 1 12 ? 4.952 3.317 1.971 1.00 96.65 12 A 1 ATOM 91 C CB . LEU A 1 12 ? 2.786 1.745 3.905 1.00 96.88 12 A 1 ATOM 92 C CG . LEU A 1 12 ? 4.118 1.153 4.356 1.00 93.07 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? 4.797 2.070 5.360 1.00 88.05 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? 3.907 -0.228 4.951 1.00 88.13 12 A 1 ATOM 95 N N . LEU A 1 13 ? 3.200 2.399 0.897 1.00 97.17 13 A 1 ATOM 96 C CA . LEU A 1 13 ? 3.919 2.218 -0.360 1.00 97.03 13 A 1 ATOM 97 C C . LEU A 1 13 ? 4.417 3.552 -0.894 1.00 97.20 13 A 1 ATOM 98 O O . LEU A 1 13 ? 5.575 3.679 -1.298 1.00 96.44 13 A 1 ATOM 99 C CB . LEU A 1 13 ? 3.010 1.554 -1.391 1.00 96.65 13 A 1 ATOM 100 C CG . LEU A 1 13 ? 3.675 1.289 -2.740 1.00 92.36 13 A 1 ATOM 101 C CD1 . LEU A 1 13 ? 4.839 0.324 -2.580 1.00 86.93 13 A 1 ATOM 102 C CD2 . LEU A 1 13 ? 2.663 0.747 -3.730 1.00 87.23 13 A 1 ATOM 103 N N . LEU A 1 14 ? 3.540 4.545 -0.884 1.00 97.44 14 A 1 ATOM 104 C CA . LEU A 1 14 ? 3.893 5.877 -1.359 1.00 97.29 14 A 1 ATOM 105 C C . LEU A 1 14 ? 4.966 6.494 -0.476 1.00 97.45 14 A 1 ATOM 106 O O . LEU A 1 14 ? 5.904 7.121 -0.972 1.00 96.58 14 A 1 ATOM 107 C CB . LEU A 1 14 ? 2.650 6.769 -1.367 1.00 96.92 14 A 1 ATOM 108 C CG . LEU A 1 14 ? 1.579 6.347 -2.373 1.00 93.84 14 A 1 ATOM 109 C CD1 . LEU A 1 14 ? 0.329 7.190 -2.193 1.00 89.33 14 A 1 ATOM 110 C CD2 . LEU A 1 14 ? 2.105 6.470 -3.795 1.00 88.60 14 A 1 ATOM 111 N N . LEU A 1 15 ? 4.828 6.307 0.832 1.00 97.02 15 A 1 ATOM 112 C CA . LEU A 1 15 ? 5.792 6.829 1.788 1.00 96.90 15 A 1 ATOM 113 C C . LEU A 1 15 ? 7.162 6.208 1.566 1.00 96.99 15 A 1 ATOM 114 O O . LEU A 1 15 ? 8.171 6.914 1.502 1.00 95.51 15 A 1 ATOM 115 C CB . LEU A 1 15 ? 5.322 6.551 3.211 1.00 96.38 15 A 1 ATOM 116 C CG . LEU A 1 15 ? 6.268 7.058 4.294 1.00 92.08 15 A 1 ATOM 117 C CD1 . LEU A 1 15 ? 6.379 8.573 4.240 1.00 86.51 15 A 1 ATOM 118 C CD2 . LEU A 1 15 ? 5.788 6.608 5.662 1.00 85.78 15 A 1 ATOM 119 N N . VAL A 1 16 ? 7.198 4.887 1.452 1.00 97.18 16 A 1 ATOM 120 C CA . VAL A 1 16 ? 8.444 4.163 1.227 1.00 96.86 16 A 1 ATOM 121 C C . VAL A 1 16 ? 9.079 4.586 -0.087 1.00 96.83 16 A 1 ATOM 122 O O . VAL A 1 16 ? 10.288 4.814 -0.160 1.00 94.80 16 A 1 ATOM 123 C CB . VAL A 1 16 ? 8.204 2.646 1.219 1.00 95.62 16 A 1 ATOM 124 C CG1 . VAL A 1 16 ? 9.471 1.906 0.825 1.00 90.25 16 A 1 ATOM 125 C CG2 . VAL A 1 16 ? 7.729 2.185 2.580 1.00 90.99 16 A 1 ATOM 126 N N . THR A 1 17 ? 8.265 4.701 -1.113 1.00 96.74 17 A 1 ATOM 127 C CA . THR A 1 17 ? 8.756 5.104 -2.428 1.00 96.24 17 A 1 ATOM 128 C C . THR A 1 17 ? 9.342 6.510 -2.382 1.00 95.80 17 A 1 ATOM 129 O O . THR A 1 17 ? 10.375 6.785 -2.993 1.00 91.10 17 A 1 ATOM 130 C CB . THR A 1 17 ? 7.625 5.063 -3.464 1.00 94.40 17 A 1 ATOM 131 O OG1 . THR A 1 17 ? 7.058 3.757 -3.504 1.00 85.96 17 A 1 ATOM 132 C CG2 . THR A 1 17 ? 8.152 5.412 -4.843 1.00 85.25 17 A 1 ATOM 133 N N . GLY A 1 18 ? 8.675 7.398 -1.646 1.00 95.38 18 A 1 ATOM 134 C CA . GLY A 1 18 ? 9.131 8.773 -1.525 1.00 94.53 18 A 1 ATOM 135 C C . GLY A 1 18 ? 10.393 8.903 -0.699 1.00 94.72 18 A 1 ATOM 136 O O . GLY A 1 18 ? 11.294 9.667 -1.044 1.00 92.12 18 A 1 ATOM 137 N N . THR A 1 19 ? 10.466 8.165 0.410 1.00 94.23 19 A 1 ATOM 138 C CA . THR A 1 19 ? 11.625 8.232 1.296 1.00 93.59 19 A 1 ATOM 139 C C . THR A 1 19 ? 12.713 7.242 0.905 1.00 93.05 19 A 1 ATOM 140 O O . THR A 1 19 ? 13.835 7.322 1.403 1.00 88.57 19 A 1 ATOM 141 C CB . THR A 1 19 ? 11.204 7.977 2.750 1.00 91.30 19 A 1 ATOM 142 O OG1 . THR A 1 19 ? 12.279 8.308 3.623 1.00 83.96 19 A 1 ATOM 143 C CG2 . THR A 1 19 ? 10.825 6.525 2.959 1.00 81.67 19 A 1 ATOM 144 N N . ARG A 1 20 ? 12.379 6.320 0.017 1.00 93.22 20 A 1 ATOM 145 C CA . ARG A 1 20 ? 13.332 5.304 -0.430 1.00 91.40 20 A 1 ATOM 146 C C . ARG A 1 20 ? 14.517 5.948 -1.122 1.00 89.21 20 A 1 ATOM 147 O O . ARG A 1 20 ? 15.646 5.482 -1.004 1.00 83.46 20 A 1 ATOM 148 C CB . ARG A 1 20 ? 12.648 4.320 -1.384 1.00 88.61 20 A 1 ATOM 149 C CG . ARG A 1 20 ? 13.556 3.201 -1.830 1.00 82.07 20 A 1 ATOM 150 C CD . ARG A 1 20 ? 12.786 2.188 -2.658 1.00 79.45 20 A 1 ATOM 151 N NE . ARG A 1 20 ? 12.274 2.782 -3.890 1.00 75.24 20 A 1 ATOM 152 C CZ . ARG A 1 20 ? 12.966 2.872 -5.015 1.00 70.91 20 A 1 ATOM 153 N NH1 . ARG A 1 20 ? 14.212 2.427 -5.078 1.00 66.59 20 A 1 ATOM 154 N NH2 . ARG A 1 20 ? 12.416 3.419 -6.084 1.00 66.73 20 A 1 ATOM 155 N N . SER A 1 21 ? 14.235 7.037 -1.831 1.00 88.30 21 A 1 ATOM 156 C CA . SER A 1 21 ? 15.269 7.767 -2.568 1.00 85.65 21 A 1 ATOM 157 C C . SER A 1 21 ? 15.329 7.282 -4.015 1.00 82.84 21 A 1 ATOM 158 O O . SER A 1 21 ? 14.721 7.942 -4.872 1.00 75.49 21 A 1 ATOM 159 C CB . SER A 1 21 ? 16.643 7.626 -1.916 1.00 78.71 21 A 1 ATOM 160 O OG . SER A 1 21 ? 17.594 8.381 -2.638 1.00 71.31 21 A 1 ATOM 161 O OXT . SER A 1 21 ? 15.938 6.247 -4.271 1.00 72.89 21 A 1 #