# 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_spkb26264 # _entry.id spkb26264 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)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" "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" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[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" # _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 ASN 2 1 n LEU 3 1 n SER 4 1 n THR 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n THR 9 1 n LEU 10 1 n ALA 11 1 n CYS 12 1 n ILE 13 1 n SER 14 1 n GLN 15 1 n LEU 16 1 n HIS 17 1 n GLY 18 1 n GLY 19 1 n SER 20 1 n ALA 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 03:45:42)" _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 86.60 _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 79.74 1 1 A ASN 2 2 86.17 1 2 A LEU 3 2 90.95 1 3 A SER 4 2 93.50 1 4 A THR 5 2 92.94 1 5 A LEU 6 2 92.82 1 6 A LEU 7 2 92.45 1 7 A LEU 8 2 92.82 1 8 A THR 9 2 92.03 1 9 A LEU 10 2 90.73 1 10 A ALA 11 2 94.62 1 11 A CYS 12 2 92.41 1 12 A ILE 13 2 91.62 1 13 A SER 14 2 92.23 1 14 A GLN 15 2 86.77 1 15 A LEU 16 2 89.36 1 16 A HIS 17 2 77.10 1 17 A GLY 18 2 82.48 1 18 A GLY 19 2 72.42 1 19 A SER 20 2 66.29 1 20 A ALA 21 2 59.47 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 ASN . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n THR . 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 THR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n GLN . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n HIS . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n GLY . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n ALA . 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 ? -13.697 -0.114 5.290 1.00 87.40 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.222 -0.109 5.367 1.00 89.33 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.785 0.985 6.334 1.00 91.07 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.267 2.111 6.233 1.00 87.84 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.614 0.123 3.973 1.00 81.73 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.306 -0.628 3.758 1.00 73.31 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.803 -0.590 2.021 1.00 68.60 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.445 -1.768 2.044 1.00 58.61 1 A 1 ATOM 9 N N . ASN A 1 2 ? -10.938 0.673 7.275 1.00 87.99 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -10.478 1.646 8.262 1.00 91.82 2 A 1 ATOM 11 C C . ASN A 1 2 ? -9.349 2.511 7.683 1.00 93.00 2 A 1 ATOM 12 O O . ASN A 1 2 ? -8.625 2.079 6.789 1.00 91.84 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -10.024 0.907 9.525 1.00 87.37 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -9.939 1.828 10.725 1.00 82.53 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -10.618 2.837 10.802 1.00 78.77 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -9.099 1.490 11.679 1.00 76.02 2 A 1 ATOM 17 N N . LEU A 1 3 ? -9.185 3.721 8.210 1.00 94.91 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -8.142 4.650 7.753 1.00 95.40 3 A 1 ATOM 19 C C . LEU A 1 3 ? -6.743 4.051 7.929 1.00 96.09 3 A 1 ATOM 20 O O . LEU A 1 3 ? -5.882 4.211 7.063 1.00 95.44 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -8.271 5.970 8.524 1.00 94.24 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -7.288 7.057 8.076 1.00 87.30 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -7.580 7.523 6.653 1.00 82.54 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -7.375 8.247 9.029 1.00 81.66 3 A 1 ATOM 25 N N . SER A 1 4 ? -6.521 3.338 9.024 1.00 95.68 4 A 1 ATOM 26 C CA . SER A 1 4 ? -5.242 2.676 9.297 1.00 96.03 4 A 1 ATOM 27 C C . SER A 1 4 ? -4.891 1.646 8.222 1.00 96.56 4 A 1 ATOM 28 O O . SER A 1 4 ? -3.739 1.561 7.795 1.00 95.62 4 A 1 ATOM 29 C CB . SER A 1 4 ? -5.292 1.999 10.664 1.00 94.50 4 A 1 ATOM 30 O OG . SER A 1 4 ? -6.332 1.050 10.724 1.00 82.60 4 A 1 ATOM 31 N N . THR A 1 5 ? -5.875 0.896 7.753 1.00 95.74 5 A 1 ATOM 32 C CA . THR A 1 5 ? -5.684 -0.101 6.696 1.00 95.74 5 A 1 ATOM 33 C C . THR A 1 5 ? -5.333 0.571 5.371 1.00 96.32 5 A 1 ATOM 34 O O . THR A 1 5 ? -4.454 0.098 4.651 1.00 95.54 5 A 1 ATOM 35 C CB . THR A 1 5 ? -6.948 -0.950 6.522 1.00 94.63 5 A 1 ATOM 36 O OG1 . THR A 1 5 ? -7.359 -1.467 7.777 1.00 86.69 5 A 1 ATOM 37 C CG2 . THR A 1 5 ? -6.709 -2.122 5.583 1.00 85.95 5 A 1 ATOM 38 N N . LEU A 1 6 ? -5.990 1.680 5.058 1.00 95.66 6 A 1 ATOM 39 C CA . LEU A 1 6 ? -5.711 2.442 3.841 1.00 95.48 6 A 1 ATOM 40 C C . LEU A 1 6 ? -4.281 2.990 3.847 1.00 96.06 6 A 1 ATOM 41 O O . LEU A 1 6 ? -3.559 2.853 2.860 1.00 95.79 6 A 1 ATOM 42 C CB . LEU A 1 6 ? -6.733 3.579 3.709 1.00 95.09 6 A 1 ATOM 43 C CG . LEU A 1 6 ? -6.588 4.409 2.431 1.00 90.83 6 A 1 ATOM 44 C CD1 . LEU A 1 6 ? -6.903 3.573 1.191 1.00 86.90 6 A 1 ATOM 45 C CD2 . LEU A 1 6 ? -7.526 5.608 2.487 1.00 86.77 6 A 1 ATOM 46 N N . LEU A 1 7 ? -3.864 3.578 4.958 1.00 95.86 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -2.516 4.133 5.100 1.00 95.66 7 A 1 ATOM 48 C C . LEU A 1 7 ? -1.448 3.043 5.010 1.00 96.04 7 A 1 ATOM 49 O O . LEU A 1 7 ? -0.428 3.227 4.344 1.00 95.97 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -2.404 4.878 6.436 1.00 95.22 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -3.206 6.183 6.504 1.00 87.86 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? -3.176 6.732 7.927 1.00 86.35 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -2.646 7.229 5.548 1.00 86.61 7 A 1 ATOM 54 N N . LEU A 1 8 ? -1.696 1.901 5.638 1.00 95.90 8 A 1 ATOM 55 C CA . LEU A 1 8 ? -0.770 0.769 5.600 1.00 95.49 8 A 1 ATOM 56 C C . LEU A 1 8 ? -0.620 0.228 4.178 1.00 95.99 8 A 1 ATOM 57 O O . LEU A 1 8 ? 0.494 -0.046 3.728 1.00 95.65 8 A 1 ATOM 58 C CB . LEU A 1 8 ? -1.271 -0.324 6.547 1.00 95.05 8 A 1 ATOM 59 C CG . LEU A 1 8 ? -0.343 -1.535 6.664 1.00 89.38 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? 0.996 -1.147 7.290 1.00 87.24 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? -1.008 -2.610 7.514 1.00 87.83 8 A 1 ATOM 62 N N . THR A 1 9 ? -1.729 0.097 3.461 1.00 94.08 9 A 1 ATOM 63 C CA . THR A 1 9 ? -1.725 -0.384 2.076 1.00 93.82 9 A 1 ATOM 64 C C . THR A 1 9 ? -0.956 0.577 1.171 1.00 94.41 9 A 1 ATOM 65 O O . THR A 1 9 ? -0.121 0.146 0.373 1.00 93.44 9 A 1 ATOM 66 C CB . THR A 1 9 ? -3.163 -0.556 1.565 1.00 93.02 9 A 1 ATOM 67 O OG1 . THR A 1 9 ? -3.864 -1.456 2.405 1.00 88.45 9 A 1 ATOM 68 C CG2 . THR A 1 9 ? -3.196 -1.126 0.153 1.00 86.98 9 A 1 ATOM 69 N N . LEU A 1 10 ? -1.196 1.871 1.308 1.00 94.70 10 A 1 ATOM 70 C CA . LEU A 1 10 ? -0.504 2.893 0.522 1.00 94.24 10 A 1 ATOM 71 C C . LEU A 1 10 ? 1.003 2.875 0.788 1.00 94.52 10 A 1 ATOM 72 O O . LEU A 1 10 ? 1.802 2.939 -0.149 1.00 93.85 10 A 1 ATOM 73 C CB . LEU A 1 10 ? -1.099 4.269 0.850 1.00 93.27 10 A 1 ATOM 74 C CG . LEU A 1 10 ? -0.527 5.423 0.021 1.00 86.56 10 A 1 ATOM 75 C CD1 . LEU A 1 10 ? -0.871 5.264 -1.459 1.00 84.43 10 A 1 ATOM 76 C CD2 . LEU A 1 10 ? -1.078 6.748 0.530 1.00 84.30 10 A 1 ATOM 77 N N . ALA A 1 11 ? 1.399 2.761 2.048 1.00 95.20 11 A 1 ATOM 78 C CA . ALA A 1 11 ? 2.810 2.697 2.426 1.00 94.88 11 A 1 ATOM 79 C C . ALA A 1 11 ? 3.488 1.453 1.846 1.00 95.00 11 A 1 ATOM 80 O O . ALA A 1 11 ? 4.605 1.535 1.339 1.00 93.87 11 A 1 ATOM 81 C CB . ALA A 1 11 ? 2.926 2.719 3.950 1.00 94.17 11 A 1 ATOM 82 N N . CYS A 1 12 ? 2.803 0.315 1.883 1.00 94.31 12 A 1 ATOM 83 C CA . CYS A 1 12 ? 3.324 -0.938 1.339 1.00 94.37 12 A 1 ATOM 84 C C . CYS A 1 12 ? 3.566 -0.835 -0.169 1.00 94.33 12 A 1 ATOM 85 O O . CYS A 1 12 ? 4.634 -1.201 -0.658 1.00 92.75 12 A 1 ATOM 86 C CB . CYS A 1 12 ? 2.343 -2.073 1.663 1.00 93.05 12 A 1 ATOM 87 S SG . CYS A 1 12 ? 3.020 -3.678 1.196 1.00 85.67 12 A 1 ATOM 88 N N . ILE A 1 13 ? 2.601 -0.304 -0.904 1.00 94.66 13 A 1 ATOM 89 C CA . ILE A 1 13 ? 2.722 -0.119 -2.355 1.00 93.90 13 A 1 ATOM 90 C C . ILE A 1 13 ? 3.876 0.834 -2.683 1.00 93.91 13 A 1 ATOM 91 O O . ILE A 1 13 ? 4.677 0.559 -3.581 1.00 93.45 13 A 1 ATOM 92 C CB . ILE A 1 13 ? 1.391 0.388 -2.945 1.00 93.36 13 A 1 ATOM 93 C CG1 . ILE A 1 13 ? 0.304 -0.692 -2.821 1.00 90.42 13 A 1 ATOM 94 C CG2 . ILE A 1 13 ? 1.564 0.778 -4.423 1.00 88.75 13 A 1 ATOM 95 C CD1 . ILE A 1 13 ? -1.104 -0.176 -3.082 1.00 84.55 13 A 1 ATOM 96 N N . SER A 1 14 ? 3.995 1.927 -1.952 1.00 95.15 14 A 1 ATOM 97 C CA . SER A 1 14 ? 5.066 2.906 -2.159 1.00 94.56 14 A 1 ATOM 98 C C . SER A 1 14 ? 6.447 2.289 -1.930 1.00 94.67 14 A 1 ATOM 99 O O . SER A 1 14 ? 7.374 2.543 -2.697 1.00 93.29 14 A 1 ATOM 100 C CB . SER A 1 14 ? 4.875 4.103 -1.231 1.00 93.11 14 A 1 ATOM 101 O OG . SER A 1 14 ? 3.664 4.768 -1.522 1.00 82.61 14 A 1 ATOM 102 N N . GLN A 1 15 ? 6.588 1.453 -0.907 1.00 94.61 15 A 1 ATOM 103 C CA . GLN A 1 15 ? 7.854 0.778 -0.621 1.00 94.11 15 A 1 ATOM 104 C C . GLN A 1 15 ? 8.204 -0.245 -1.701 1.00 94.18 15 A 1 ATOM 105 O O . GLN A 1 15 ? 9.364 -0.336 -2.108 1.00 91.04 15 A 1 ATOM 106 C CB . GLN A 1 15 ? 7.798 0.101 0.748 1.00 92.41 15 A 1 ATOM 107 C CG . GLN A 1 15 ? 7.896 1.113 1.885 1.00 84.68 15 A 1 ATOM 108 C CD . GLN A 1 15 ? 7.954 0.449 3.250 1.00 81.22 15 A 1 ATOM 109 O OE1 . GLN A 1 15 ? 8.302 -0.716 3.389 1.00 76.08 15 A 1 ATOM 110 N NE2 . GLN A 1 15 ? 7.638 1.174 4.302 1.00 72.56 15 A 1 ATOM 111 N N . LEU A 1 16 ? 7.218 -0.986 -2.188 1.00 94.29 16 A 1 ATOM 112 C CA . LEU A 1 16 ? 7.428 -1.978 -3.242 1.00 93.70 16 A 1 ATOM 113 C C . LEU A 1 16 ? 7.832 -1.323 -4.563 1.00 94.01 16 A 1 ATOM 114 O O . LEU A 1 16 ? 8.694 -1.841 -5.275 1.00 92.95 16 A 1 ATOM 115 C CB . LEU A 1 16 ? 6.154 -2.812 -3.432 1.00 92.52 16 A 1 ATOM 116 C CG . LEU A 1 16 ? 5.855 -3.784 -2.289 1.00 86.27 16 A 1 ATOM 117 C CD1 . LEU A 1 16 ? 4.458 -4.368 -2.454 1.00 80.91 16 A 1 ATOM 118 C CD2 . LEU A 1 16 ? 6.873 -4.919 -2.251 1.00 80.20 16 A 1 ATOM 119 N N . HIS A 1 17 ? 7.233 -0.182 -4.885 1.00 89.65 17 A 1 ATOM 120 C CA . HIS A 1 17 ? 7.539 0.542 -6.121 1.00 87.47 17 A 1 ATOM 121 C C . HIS A 1 17 ? 8.830 1.356 -6.019 1.00 86.39 17 A 1 ATOM 122 O O . HIS A 1 17 ? 9.403 1.734 -7.042 1.00 81.00 17 A 1 ATOM 123 C CB . HIS A 1 17 ? 6.356 1.445 -6.502 1.00 84.42 17 A 1 ATOM 124 C CG . HIS A 1 17 ? 5.379 0.767 -7.417 1.00 76.34 17 A 1 ATOM 125 N ND1 . HIS A 1 17 ? 5.131 1.174 -8.705 1.00 67.39 17 A 1 ATOM 126 C CD2 . HIS A 1 17 ? 4.603 -0.315 -7.201 1.00 67.00 17 A 1 ATOM 127 C CE1 . HIS A 1 17 ? 4.220 0.357 -9.233 1.00 65.07 17 A 1 ATOM 128 N NE2 . HIS A 1 17 ? 3.880 -0.558 -8.358 1.00 66.32 17 A 1 ATOM 129 N N . GLY A 1 18 ? 9.303 1.606 -4.818 1.00 86.59 18 A 1 ATOM 130 C CA . GLY A 1 18 ? 10.471 2.450 -4.583 1.00 83.99 18 A 1 ATOM 131 C C . GLY A 1 18 ? 10.058 3.887 -4.335 1.00 82.81 18 A 1 ATOM 132 O O . GLY A 1 18 ? 9.688 4.609 -5.259 1.00 76.55 18 A 1 ATOM 133 N N . GLY A 1 19 ? 10.098 4.311 -3.065 1.00 77.68 19 A 1 ATOM 134 C CA . GLY A 1 19 ? 9.743 5.684 -2.719 1.00 73.10 19 A 1 ATOM 135 C C . GLY A 1 19 ? 10.910 6.633 -2.936 1.00 72.30 19 A 1 ATOM 136 O O . GLY A 1 19 ? 12.071 6.254 -2.775 1.00 66.60 19 A 1 ATOM 137 N N . SER A 1 20 ? 10.604 7.880 -3.295 1.00 71.75 20 A 1 ATOM 138 C CA . SER A 1 20 ? 11.611 8.941 -3.375 1.00 69.74 20 A 1 ATOM 139 C C . SER A 1 20 ? 11.866 9.501 -1.985 1.00 67.87 20 A 1 ATOM 140 O O . SER A 1 20 ? 10.931 9.938 -1.315 1.00 64.04 20 A 1 ATOM 141 C CB . SER A 1 20 ? 11.148 10.059 -4.306 1.00 65.53 20 A 1 ATOM 142 O OG . SER A 1 20 ? 11.452 9.737 -5.647 1.00 58.82 20 A 1 ATOM 143 N N . ALA A 1 21 ? 13.116 9.468 -1.556 1.00 67.70 21 A 1 ATOM 144 C CA . ALA A 1 21 ? 13.511 10.058 -0.274 1.00 64.14 21 A 1 ATOM 145 C C . ALA A 1 21 ? 13.787 11.548 -0.469 1.00 60.52 21 A 1 ATOM 146 O O . ALA A 1 21 ? 13.284 12.364 0.319 1.00 55.27 21 A 1 ATOM 147 C CB . ALA A 1 21 ? 14.735 9.331 0.280 1.00 57.23 21 A 1 ATOM 148 O OXT . ALA A 1 21 ? 14.517 11.877 -1.429 1.00 51.94 21 A 1 #