# 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_spkb33443 # _entry.id spkb33443 # 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" "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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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 ALA 2 1 n LYS 3 1 n GLN 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n PHE 12 1 n ILE 13 1 n VAL 14 1 n HIS 15 1 n GLY 16 1 n VAL 17 1 n GLU 18 1 n SER 19 # _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 03:23:39)" _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 94.40 _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 89.35 1 1 A ALA 2 2 97.62 1 2 A LYS 3 2 93.04 1 3 A GLN 4 2 93.95 1 4 A LEU 5 2 95.45 1 5 A LEU 6 2 97.07 1 6 A LEU 7 2 96.34 1 7 A LEU 8 2 95.58 1 8 A LEU 9 2 95.66 1 9 A LEU 10 2 95.98 1 10 A LEU 11 2 95.61 1 11 A PHE 12 2 94.77 1 12 A ILE 13 2 97.54 1 13 A VAL 14 2 97.73 1 14 A HIS 15 2 94.24 1 15 A GLY 16 2 96.76 1 16 A VAL 17 2 95.41 1 17 A GLU 18 2 87.61 1 18 A SER 19 2 86.95 1 19 # _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 ALA . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n HIS . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n SER . 19 A 19 # _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 ? -12.883 3.197 -1.317 1.00 95.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.632 4.363 -2.183 1.00 96.10 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.187 4.344 -2.684 1.00 96.59 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.330 3.668 -2.115 1.00 95.79 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.884 5.670 -1.429 1.00 92.71 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.352 5.852 -1.014 1.00 84.07 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.914 4.614 0.163 1.00 81.01 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.571 5.202 0.473 1.00 72.94 1 A 1 ATOM 9 N N . ALA A 1 2 ? -10.925 5.114 -3.744 1.00 96.99 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -9.583 5.197 -4.321 1.00 97.88 2 A 1 ATOM 11 C C . ALA A 1 2 ? -8.576 5.736 -3.308 1.00 98.26 2 A 1 ATOM 12 O O . ALA A 1 2 ? -7.413 5.330 -3.293 1.00 97.89 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -9.605 6.083 -5.559 1.00 97.06 2 A 1 ATOM 14 N N . LYS A 1 3 ? -9.034 6.666 -2.461 1.00 98.13 3 A 1 ATOM 15 C CA . LYS A 1 3 ? -8.180 7.249 -1.427 1.00 98.37 3 A 1 ATOM 16 C C . LYS A 1 3 ? -7.683 6.174 -0.460 1.00 98.51 3 A 1 ATOM 17 O O . LYS A 1 3 ? -6.532 6.212 -0.021 1.00 98.42 3 A 1 ATOM 18 C CB . LYS A 1 3 ? -8.950 8.323 -0.658 1.00 98.17 3 A 1 ATOM 19 C CG . LYS A 1 3 ? -8.118 9.037 0.402 1.00 93.94 3 A 1 ATOM 20 C CD . LYS A 1 3 ? -6.936 9.763 -0.196 1.00 90.58 3 A 1 ATOM 21 C CE . LYS A 1 3 ? -6.208 10.589 0.852 1.00 84.49 3 A 1 ATOM 22 N NZ . LYS A 1 3 ? -5.665 9.743 1.936 1.00 76.76 3 A 1 ATOM 23 N N . GLN A 1 4 ? -8.558 5.217 -0.134 1.00 98.46 4 A 1 ATOM 24 C CA . GLN A 1 4 ? -8.192 4.131 0.773 1.00 98.59 4 A 1 ATOM 25 C C . GLN A 1 4 ? -7.101 3.263 0.160 1.00 98.70 4 A 1 ATOM 26 O O . GLN A 1 4 ? -6.161 2.851 0.841 1.00 98.39 4 A 1 ATOM 27 C CB . GLN A 1 4 ? -9.420 3.278 1.102 1.00 98.39 4 A 1 ATOM 28 C CG . GLN A 1 4 ? -10.537 4.060 1.767 1.00 94.42 4 A 1 ATOM 29 C CD . GLN A 1 4 ? -10.066 4.782 3.013 1.00 90.89 4 A 1 ATOM 30 O OE1 . GLN A 1 4 ? -10.014 6.003 3.040 1.00 86.16 4 A 1 ATOM 31 N NE2 . GLN A 1 4 ? -9.713 4.032 4.030 1.00 81.57 4 A 1 ATOM 32 N N . LEU A 1 5 ? -7.221 2.986 -1.137 1.00 98.47 5 A 1 ATOM 33 C CA . LEU A 1 5 ? -6.221 2.202 -1.849 1.00 98.50 5 A 1 ATOM 34 C C . LEU A 1 5 ? -4.878 2.923 -1.853 1.00 98.60 5 A 1 ATOM 35 O O . LEU A 1 5 ? -3.829 2.300 -1.680 1.00 98.55 5 A 1 ATOM 36 C CB . LEU A 1 5 ? -6.675 1.942 -3.287 1.00 98.42 5 A 1 ATOM 37 C CG . LEU A 1 5 ? -7.896 1.037 -3.413 1.00 92.01 5 A 1 ATOM 38 C CD1 . LEU A 1 5 ? -8.357 0.980 -4.857 1.00 88.80 5 A 1 ATOM 39 C CD2 . LEU A 1 5 ? -7.581 -0.365 -2.907 1.00 90.27 5 A 1 ATOM 40 N N . LEU A 1 6 ? -4.925 4.234 -2.046 1.00 98.60 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -3.713 5.046 -2.041 1.00 98.61 6 A 1 ATOM 42 C C . LEU A 1 6 ? -3.040 5.007 -0.673 1.00 98.66 6 A 1 ATOM 43 O O . LEU A 1 6 ? -1.816 4.911 -0.575 1.00 98.62 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -4.044 6.486 -2.422 1.00 98.53 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -2.832 7.410 -2.498 1.00 95.93 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -1.848 6.934 -3.562 1.00 93.45 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -3.277 8.833 -2.788 1.00 94.13 6 A 1 ATOM 48 N N . LEU A 1 7 ? -3.846 5.077 0.383 1.00 98.60 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -3.333 5.030 1.749 1.00 98.55 7 A 1 ATOM 50 C C . LEU A 1 7 ? -2.636 3.701 2.024 1.00 98.61 7 A 1 ATOM 51 O O . LEU A 1 7 ? -1.544 3.670 2.596 1.00 98.56 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -4.477 5.236 2.744 1.00 98.42 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -4.042 5.259 4.212 1.00 93.71 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -3.096 6.419 4.477 1.00 91.63 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -5.258 5.350 5.119 1.00 92.66 7 A 1 ATOM 56 N N . LEU A 1 8 ? -3.273 2.604 1.609 1.00 98.53 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -2.698 1.277 1.788 1.00 98.49 8 A 1 ATOM 58 C C . LEU A 1 8 ? -1.403 1.134 0.998 1.00 98.57 8 A 1 ATOM 59 O O . LEU A 1 8 ? -0.425 0.569 1.494 1.00 98.48 8 A 1 ATOM 60 C CB . LEU A 1 8 ? -3.701 0.208 1.341 1.00 98.30 8 A 1 ATOM 61 C CG . LEU A 1 8 ? -4.909 0.046 2.260 1.00 91.04 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? -5.948 -0.855 1.614 1.00 89.82 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? -4.491 -0.530 3.608 1.00 91.41 8 A 1 ATOM 64 N N . LEU A 1 9 ? -1.404 1.641 -0.228 1.00 98.46 9 A 1 ATOM 65 C CA . LEU A 1 9 ? -0.221 1.593 -1.081 1.00 98.41 9 A 1 ATOM 66 C C . LEU A 1 9 ? 0.927 2.371 -0.448 1.00 98.51 9 A 1 ATOM 67 O O . LEU A 1 9 ? 2.068 1.904 -0.430 1.00 98.39 9 A 1 ATOM 68 C CB . LEU A 1 9 ? -0.546 2.162 -2.461 1.00 98.23 9 A 1 ATOM 69 C CG . LEU A 1 9 ? 0.622 2.135 -3.450 1.00 92.10 9 A 1 ATOM 70 C CD1 . LEU A 1 9 ? 1.079 0.706 -3.714 1.00 90.07 9 A 1 ATOM 71 C CD2 . LEU A 1 9 ? 0.219 2.810 -4.752 1.00 91.10 9 A 1 ATOM 72 N N . LEU A 1 10 ? 0.621 3.550 0.072 1.00 98.58 10 A 1 ATOM 73 C CA . LEU A 1 10 ? 1.624 4.389 0.718 1.00 98.50 10 A 1 ATOM 74 C C . LEU A 1 10 ? 2.232 3.676 1.919 1.00 98.54 10 A 1 ATOM 75 O O . LEU A 1 10 ? 3.450 3.656 2.091 1.00 98.28 10 A 1 ATOM 76 C CB . LEU A 1 10 ? 0.997 5.715 1.157 1.00 98.28 10 A 1 ATOM 77 C CG . LEU A 1 10 ? 1.971 6.687 1.829 1.00 92.83 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? 3.072 7.100 0.860 1.00 90.81 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? 1.227 7.910 2.336 1.00 92.01 10 A 1 ATOM 80 N N . LEU A 1 11 ? 1.383 3.080 2.747 1.00 98.60 11 A 1 ATOM 81 C CA . LEU A 1 11 ? 1.838 2.342 3.919 1.00 98.49 11 A 1 ATOM 82 C C . LEU A 1 11 ? 2.713 1.165 3.511 1.00 98.52 11 A 1 ATOM 83 O O . LEU A 1 11 ? 3.736 0.892 4.141 1.00 98.16 11 A 1 ATOM 84 C CB . LEU A 1 11 ? 0.635 1.849 4.723 1.00 98.20 11 A 1 ATOM 85 C CG . LEU A 1 11 ? 0.993 1.107 6.012 1.00 92.93 11 A 1 ATOM 86 C CD1 . LEU A 1 11 ? 1.752 2.013 6.967 1.00 89.45 11 A 1 ATOM 87 C CD2 . LEU A 1 11 ? -0.267 0.577 6.679 1.00 90.51 11 A 1 ATOM 88 N N . PHE A 1 12 ? 2.306 0.463 2.450 1.00 98.40 12 A 1 ATOM 89 C CA . PHE A 1 12 ? 3.054 -0.677 1.930 1.00 98.31 12 A 1 ATOM 90 C C . PHE A 1 12 ? 4.454 -0.258 1.490 1.00 98.36 12 A 1 ATOM 91 O O . PHE A 1 12 ? 5.437 -0.931 1.805 1.00 97.83 12 A 1 ATOM 92 C CB . PHE A 1 12 ? 2.298 -1.302 0.757 1.00 98.01 12 A 1 ATOM 93 C CG . PHE A 1 12 ? 2.987 -2.512 0.184 1.00 95.60 12 A 1 ATOM 94 C CD1 . PHE A 1 12 ? 3.816 -2.399 -0.922 1.00 91.12 12 A 1 ATOM 95 C CD2 . PHE A 1 12 ? 2.809 -3.757 0.769 1.00 91.62 12 A 1 ATOM 96 C CE1 . PHE A 1 12 ? 4.460 -3.513 -1.443 1.00 90.89 12 A 1 ATOM 97 C CE2 . PHE A 1 12 ? 3.455 -4.875 0.252 1.00 90.82 12 A 1 ATOM 98 C CZ . PHE A 1 12 ? 4.280 -4.752 -0.855 1.00 91.50 12 A 1 ATOM 99 N N . ILE A 1 13 ? 4.538 0.850 0.769 1.00 98.54 13 A 1 ATOM 100 C CA . ILE A 1 13 ? 5.819 1.360 0.291 1.00 98.47 13 A 1 ATOM 101 C C . ILE A 1 13 ? 6.709 1.762 1.463 1.00 98.50 13 A 1 ATOM 102 O O . ILE A 1 13 ? 7.885 1.398 1.511 1.00 98.06 13 A 1 ATOM 103 C CB . ILE A 1 13 ? 5.617 2.558 -0.653 1.00 98.30 13 A 1 ATOM 104 C CG1 . ILE A 1 13 ? 4.898 2.109 -1.927 1.00 97.40 13 A 1 ATOM 105 C CG2 . ILE A 1 13 ? 6.961 3.194 -0.999 1.00 97.03 13 A 1 ATOM 106 C CD1 . ILE A 1 13 ? 4.420 3.257 -2.789 1.00 94.05 13 A 1 ATOM 107 N N . VAL A 1 14 ? 6.144 2.503 2.412 1.00 98.64 14 A 1 ATOM 108 C CA . VAL A 1 14 ? 6.897 2.949 3.581 1.00 98.57 14 A 1 ATOM 109 C C . VAL A 1 14 ? 7.422 1.757 4.370 1.00 98.53 14 A 1 ATOM 110 O O . VAL A 1 14 ? 8.588 1.727 4.767 1.00 97.77 14 A 1 ATOM 111 C CB . VAL A 1 14 ? 6.031 3.838 4.490 1.00 98.19 14 A 1 ATOM 112 C CG1 . VAL A 1 14 ? 6.762 4.155 5.787 1.00 96.02 14 A 1 ATOM 113 C CG2 . VAL A 1 14 ? 5.664 5.122 3.775 1.00 96.37 14 A 1 ATOM 114 N N . HIS A 1 15 ? 6.560 0.770 4.588 1.00 98.46 15 A 1 ATOM 115 C CA . HIS A 1 15 ? 6.949 -0.428 5.322 1.00 98.40 15 A 1 ATOM 116 C C . HIS A 1 15 ? 8.039 -1.196 4.586 1.00 98.41 15 A 1 ATOM 117 O O . HIS A 1 15 ? 8.998 -1.665 5.197 1.00 97.31 15 A 1 ATOM 118 C CB . HIS A 1 15 ? 5.740 -1.331 5.544 1.00 98.03 15 A 1 ATOM 119 C CG . HIS A 1 15 ? 6.052 -2.529 6.388 1.00 95.79 15 A 1 ATOM 120 N ND1 . HIS A 1 15 ? 6.342 -3.762 5.869 1.00 86.24 15 A 1 ATOM 121 C CD2 . HIS A 1 15 ? 6.129 -2.650 7.729 1.00 88.52 15 A 1 ATOM 122 C CE1 . HIS A 1 15 ? 6.579 -4.603 6.863 1.00 89.88 15 A 1 ATOM 123 N NE2 . HIS A 1 15 ? 6.460 -3.960 8.011 1.00 91.33 15 A 1 ATOM 124 N N . GLY A 1 16 ? 7.886 -1.326 3.267 1.00 97.26 16 A 1 ATOM 125 C CA . GLY A 1 16 ? 8.867 -2.030 2.456 1.00 97.10 16 A 1 ATOM 126 C C . GLY A 1 16 ? 10.221 -1.351 2.464 1.00 97.10 16 A 1 ATOM 127 O O . GLY A 1 16 ? 11.252 -2.010 2.595 1.00 95.59 16 A 1 ATOM 128 N N . VAL A 1 17 ? 10.229 -0.033 2.336 1.00 97.59 17 A 1 ATOM 129 C CA . VAL A 1 17 ? 11.471 0.740 2.331 1.00 97.40 17 A 1 ATOM 130 C C . VAL A 1 17 ? 12.118 0.746 3.710 1.00 97.25 17 A 1 ATOM 131 O O . VAL A 1 17 ? 13.337 0.622 3.835 1.00 95.52 17 A 1 ATOM 132 C CB . VAL A 1 17 ? 11.216 2.182 1.871 1.00 96.55 17 A 1 ATOM 133 C CG1 . VAL A 1 17 ? 12.481 3.024 2.018 1.00 91.36 17 A 1 ATOM 134 C CG2 . VAL A 1 17 ? 10.747 2.200 0.430 1.00 92.17 17 A 1 ATOM 135 N N . GLU A 1 18 ? 11.296 0.902 4.738 1.00 96.44 18 A 1 ATOM 136 C CA . GLU A 1 18 ? 11.783 0.943 6.114 1.00 95.58 18 A 1 ATOM 137 C C . GLU A 1 18 ? 12.426 -0.378 6.511 1.00 93.82 18 A 1 ATOM 138 O O . GLU A 1 18 ? 13.420 -0.403 7.243 1.00 89.23 18 A 1 ATOM 139 C CB . GLU A 1 18 ? 10.626 1.275 7.059 1.00 93.52 18 A 1 ATOM 140 C CG . GLU A 1 18 ? 11.071 1.710 8.446 1.00 86.01 18 A 1 ATOM 141 C CD . GLU A 1 18 ? 11.410 0.543 9.336 1.00 81.98 18 A 1 ATOM 142 O OE1 . GLU A 1 18 ? 10.559 -0.347 9.500 1.00 74.87 18 A 1 ATOM 143 O OE2 . GLU A 1 18 ? 12.531 0.516 9.879 1.00 77.05 18 A 1 ATOM 144 N N . SER A 1 19 ? 11.872 -1.473 6.018 1.00 94.03 19 A 1 ATOM 145 C CA . SER A 1 19 ? 12.382 -2.804 6.321 1.00 92.62 19 A 1 ATOM 146 C C . SER A 1 19 ? 13.705 -3.060 5.605 1.00 89.51 19 A 1 ATOM 147 O O . SER A 1 19 ? 14.661 -3.511 6.252 1.00 83.79 19 A 1 ATOM 148 C CB . SER A 1 19 ? 11.357 -3.871 5.937 1.00 88.63 19 A 1 ATOM 149 O OG . SER A 1 19 ? 10.162 -3.712 6.678 1.00 80.52 19 A 1 ATOM 150 O OXT . SER A 1 19 ? 13.787 -2.833 4.396 1.00 79.53 19 A 1 #