# 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_spkb34098 # _entry.id spkb34098 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "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 GLN 1 1 n ASP 2 1 n GLU 3 1 n VAL 4 1 n GLY 5 1 n LEU 6 1 n GLY 7 1 n SER 8 1 n CYS 9 1 n SER 10 1 n VAL 11 1 n ILE 12 1 n PHE 13 1 n VAL 14 1 n VAL 15 1 n GLY 16 1 n ASN 17 1 n GLU 18 1 n GLU 19 1 n GLY 20 1 n GLU 21 1 n ALA 22 # _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 @ 2025-07-11 22:01:26)" _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 72.30 _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 GLN 1 2 50.65 1 1 A ASP 2 2 58.40 1 2 A GLU 3 2 59.40 1 3 A VAL 4 2 69.45 1 4 A GLY 5 2 73.26 1 5 A LEU 6 2 72.86 1 6 A GLY 7 2 78.98 1 7 A SER 8 2 79.63 1 8 A CYS 9 2 79.25 1 9 A SER 10 2 80.29 1 10 A VAL 11 2 80.14 1 11 A ILE 12 2 83.14 1 12 A PHE 13 2 77.22 1 13 A VAL 14 2 81.87 1 14 A VAL 15 2 83.27 1 15 A GLY 16 2 84.64 1 16 A ASN 17 2 79.20 1 17 A GLU 18 2 71.39 1 18 A GLU 19 2 70.42 1 19 A GLY 20 2 72.78 1 20 A GLU 21 2 62.47 1 21 A ALA 22 2 62.39 1 22 # _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 GLN . 1 A 1 A 2 1 n ASP . 2 A 2 A 3 1 n GLU . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n GLY . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n GLU . 21 A 21 A 22 1 n ALA . 22 A 22 # _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 . GLN A 1 1 ? 1.322 -18.122 7.106 1.00 51.95 1 A 1 ATOM 2 C CA . GLN A 1 1 ? 1.113 -16.878 7.886 1.00 55.33 1 A 1 ATOM 3 C C . GLN A 1 1 ? 1.549 -15.694 7.021 1.00 55.82 1 A 1 ATOM 4 O O . GLN A 1 1 ? 2.651 -15.206 7.201 1.00 52.00 1 A 1 ATOM 5 C CB . GLN A 1 1 ? 1.934 -16.921 9.194 1.00 53.22 1 A 1 ATOM 6 C CG . GLN A 1 1 ? 1.355 -17.861 10.251 1.00 49.46 1 A 1 ATOM 7 C CD . GLN A 1 1 ? 2.242 -17.947 11.490 1.00 46.43 1 A 1 ATOM 8 O OE1 . GLN A 1 1 ? 3.452 -17.896 11.428 1.00 45.53 1 A 1 ATOM 9 N NE2 . GLN A 1 1 ? 1.681 -18.108 12.664 1.00 46.12 1 A 1 ATOM 10 N N . ASP A 1 2 ? 0.751 -15.291 6.058 1.00 58.12 2 A 1 ATOM 11 C CA . ASP A 1 2 ? 1.086 -14.228 5.092 1.00 63.96 2 A 1 ATOM 12 C C . ASP A 1 2 ? 0.000 -13.134 5.071 1.00 65.12 2 A 1 ATOM 13 O O . ASP A 1 2 ? -0.250 -12.469 4.078 1.00 62.22 2 A 1 ATOM 14 C CB . ASP A 1 2 ? 1.383 -14.838 3.712 1.00 61.04 2 A 1 ATOM 15 C CG . ASP A 1 2 ? 2.835 -14.576 3.320 1.00 53.71 2 A 1 ATOM 16 O OD1 . ASP A 1 2 ? 3.108 -13.442 2.878 1.00 51.71 2 A 1 ATOM 17 O OD2 . ASP A 1 2 ? 3.651 -15.505 3.529 1.00 51.35 2 A 1 ATOM 18 N N . GLU A 1 3 ? -0.674 -12.938 6.215 1.00 60.31 3 A 1 ATOM 19 C CA . GLU A 1 3 ? -1.708 -11.900 6.375 1.00 66.44 3 A 1 ATOM 20 C C . GLU A 1 3 ? -1.090 -10.493 6.471 1.00 68.27 3 A 1 ATOM 21 O O . GLU A 1 3 ? -1.743 -9.493 6.176 1.00 64.13 3 A 1 ATOM 22 C CB . GLU A 1 3 ? -2.572 -12.220 7.603 1.00 62.00 3 A 1 ATOM 23 C CG . GLU A 1 3 ? -3.236 -13.600 7.499 1.00 56.04 3 A 1 ATOM 24 C CD . GLU A 1 3 ? -4.306 -13.790 8.577 1.00 53.95 3 A 1 ATOM 25 O OE1 . GLU A 1 3 ? -5.492 -13.601 8.248 1.00 50.10 3 A 1 ATOM 26 O OE2 . GLU A 1 3 ? -3.929 -14.141 9.722 1.00 53.40 3 A 1 ATOM 27 N N . VAL A 1 4 ? 0.209 -10.410 6.794 1.00 69.13 4 A 1 ATOM 28 C CA . VAL A 1 4 ? 0.964 -9.147 6.882 1.00 74.05 4 A 1 ATOM 29 C C . VAL A 1 4 ? 1.209 -8.551 5.487 1.00 75.93 4 A 1 ATOM 30 O O . VAL A 1 4 ? 1.183 -7.333 5.316 1.00 69.70 4 A 1 ATOM 31 C CB . VAL A 1 4 ? 2.289 -9.372 7.640 1.00 70.21 4 A 1 ATOM 32 C CG1 . VAL A 1 4 ? 2.998 -8.043 7.923 1.00 62.44 4 A 1 ATOM 33 C CG2 . VAL A 1 4 ? 2.074 -10.076 8.988 1.00 64.72 4 A 1 ATOM 34 N N . GLY A 1 5 ? 1.388 -9.391 4.476 1.00 71.10 5 A 1 ATOM 35 C CA . GLY A 1 5 ? 1.590 -8.966 3.088 1.00 73.86 5 A 1 ATOM 36 C C . GLY A 1 5 ? 0.366 -8.258 2.502 1.00 75.61 5 A 1 ATOM 37 O O . GLY A 1 5 ? 0.493 -7.185 1.914 1.00 72.48 5 A 1 ATOM 38 N N . LEU A 1 6 ? -0.838 -8.786 2.738 1.00 73.49 6 A 1 ATOM 39 C CA . LEU A 1 6 ? -2.090 -8.195 2.247 1.00 78.05 6 A 1 ATOM 40 C C . LEU A 1 6 ? -2.390 -6.838 2.901 1.00 79.94 6 A 1 ATOM 41 O O . LEU A 1 6 ? -2.788 -5.899 2.210 1.00 74.79 6 A 1 ATOM 42 C CB . LEU A 1 6 ? -3.244 -9.186 2.487 1.00 75.03 6 A 1 ATOM 43 C CG . LEU A 1 6 ? -3.151 -10.475 1.647 1.00 69.14 6 A 1 ATOM 44 C CD1 . LEU A 1 6 ? -4.287 -11.418 2.043 1.00 67.63 6 A 1 ATOM 45 C CD2 . LEU A 1 6 ? -3.263 -10.205 0.148 1.00 64.83 6 A 1 ATOM 46 N N . GLY A 1 7 ? -2.146 -6.705 4.204 1.00 77.49 7 A 1 ATOM 47 C CA . GLY A 1 7 ? -2.277 -5.431 4.920 1.00 79.38 7 A 1 ATOM 48 C C . GLY A 1 7 ? -1.319 -4.361 4.387 1.00 81.40 7 A 1 ATOM 49 O O . GLY A 1 7 ? -1.731 -3.225 4.151 1.00 77.66 7 A 1 ATOM 50 N N . SER A 1 8 ? -0.072 -4.731 4.097 1.00 78.82 8 A 1 ATOM 51 C CA . SER A 1 8 ? 0.932 -3.823 3.530 1.00 82.44 8 A 1 ATOM 52 C C . SER A 1 8 ? 0.557 -3.356 2.116 1.00 83.44 8 A 1 ATOM 53 O O . SER A 1 8 ? 0.674 -2.172 1.814 1.00 80.30 8 A 1 ATOM 54 C CB . SER A 1 8 ? 2.310 -4.491 3.510 1.00 79.72 8 A 1 ATOM 55 O OG . SER A 1 8 ? 2.688 -4.899 4.813 1.00 73.05 8 A 1 ATOM 56 N N . CYS A 1 9 ? 0.033 -4.249 1.268 1.00 79.75 9 A 1 ATOM 57 C CA . CYS A 1 9 ? -0.451 -3.885 -0.070 1.00 82.46 9 A 1 ATOM 58 C C . CYS A 1 9 ? -1.612 -2.882 -0.019 1.00 83.95 9 A 1 ATOM 59 O O . CYS A 1 9 ? -1.647 -1.953 -0.820 1.00 79.71 9 A 1 ATOM 60 C CB . CYS A 1 9 ? -0.881 -5.155 -0.816 1.00 77.67 9 A 1 ATOM 61 S SG . CYS A 1 9 ? 0.566 -6.174 -1.229 1.00 71.98 9 A 1 ATOM 62 N N . SER A 1 10 ? -2.538 -3.020 0.942 1.00 79.54 10 A 1 ATOM 63 C CA . SER A 1 10 ? -3.650 -2.079 1.132 1.00 82.28 10 A 1 ATOM 64 C C . SER A 1 10 ? -3.162 -0.683 1.531 1.00 83.57 10 A 1 ATOM 65 O O . SER A 1 10 ? -3.661 0.306 1.004 1.00 81.63 10 A 1 ATOM 66 C CB . SER A 1 10 ? -4.622 -2.607 2.190 1.00 80.02 10 A 1 ATOM 67 O OG . SER A 1 10 ? -5.129 -3.875 1.811 1.00 74.72 10 A 1 ATOM 68 N N . VAL A 1 11 ? -2.147 -0.587 2.400 1.00 78.89 11 A 1 ATOM 69 C CA . VAL A 1 11 ? -1.543 0.699 2.793 1.00 82.17 11 A 1 ATOM 70 C C . VAL A 1 11 ? -0.852 1.365 1.598 1.00 83.60 11 A 1 ATOM 71 O O . VAL A 1 11 ? -1.076 2.545 1.351 1.00 81.96 11 A 1 ATOM 72 C CB . VAL A 1 11 ? -0.570 0.512 3.970 1.00 79.81 11 A 1 ATOM 73 C CG1 . VAL A 1 11 ? 0.174 1.806 4.318 1.00 76.14 11 A 1 ATOM 74 C CG2 . VAL A 1 11 ? -1.323 0.065 5.231 1.00 78.40 11 A 1 ATOM 75 N N . ILE A 1 12 ? -0.081 0.616 0.807 1.00 84.02 12 A 1 ATOM 76 C CA . ILE A 1 12 ? 0.585 1.131 -0.401 1.00 84.88 12 A 1 ATOM 77 C C . ILE A 1 12 ? -0.448 1.665 -1.406 1.00 84.31 12 A 1 ATOM 78 O O . ILE A 1 12 ? -0.242 2.725 -1.994 1.00 82.56 12 A 1 ATOM 79 C CB . ILE A 1 12 ? 1.470 0.033 -1.029 1.00 84.20 12 A 1 ATOM 80 C CG1 . ILE A 1 12 ? 2.665 -0.294 -0.098 1.00 83.76 12 A 1 ATOM 81 C CG2 . ILE A 1 12 ? 2.000 0.458 -2.413 1.00 82.48 12 A 1 ATOM 82 C CD1 . ILE A 1 12 ? 3.374 -1.606 -0.456 1.00 78.90 12 A 1 ATOM 83 N N . PHE A 1 13 ? -1.574 0.965 -1.585 1.00 80.81 13 A 1 ATOM 84 C CA . PHE A 1 13 ? -2.648 1.408 -2.475 1.00 81.22 13 A 1 ATOM 85 C C . PHE A 1 13 ? -3.280 2.732 -2.017 1.00 81.37 13 A 1 ATOM 86 O O . PHE A 1 13 ? -3.484 3.624 -2.837 1.00 79.41 13 A 1 ATOM 87 C CB . PHE A 1 13 ? -3.699 0.292 -2.573 1.00 80.01 13 A 1 ATOM 88 C CG . PHE A 1 13 ? -4.823 0.626 -3.523 1.00 78.25 13 A 1 ATOM 89 C CD1 . PHE A 1 13 ? -6.035 1.150 -3.042 1.00 76.10 13 A 1 ATOM 90 C CD2 . PHE A 1 13 ? -4.642 0.452 -4.906 1.00 74.54 13 A 1 ATOM 91 C CE1 . PHE A 1 13 ? -7.057 1.494 -3.938 1.00 73.10 13 A 1 ATOM 92 C CE2 . PHE A 1 13 ? -5.664 0.798 -5.805 1.00 72.77 13 A 1 ATOM 93 C CZ . PHE A 1 13 ? -6.874 1.318 -5.319 1.00 71.82 13 A 1 ATOM 94 N N . VAL A 1 14 ? -3.549 2.892 -0.717 1.00 82.92 14 A 1 ATOM 95 C CA . VAL A 1 14 ? -4.115 4.135 -0.157 1.00 83.52 14 A 1 ATOM 96 C C . VAL A 1 14 ? -3.140 5.303 -0.313 1.00 83.07 14 A 1 ATOM 97 O O . VAL A 1 14 ? -3.536 6.353 -0.809 1.00 81.11 14 A 1 ATOM 98 C CB . VAL A 1 14 ? -4.520 3.932 1.316 1.00 82.12 14 A 1 ATOM 99 C CG1 . VAL A 1 14 ? -4.923 5.240 2.007 1.00 79.38 14 A 1 ATOM 100 C CG2 . VAL A 1 14 ? -5.720 2.983 1.413 1.00 80.96 14 A 1 ATOM 101 N N . VAL A 1 15 ? -1.865 5.111 0.031 1.00 85.29 15 A 1 ATOM 102 C CA . VAL A 1 15 ? -0.823 6.146 -0.098 1.00 85.72 15 A 1 ATOM 103 C C . VAL A 1 15 ? -0.617 6.538 -1.566 1.00 85.53 15 A 1 ATOM 104 O O . VAL A 1 15 ? -0.563 7.721 -1.885 1.00 83.07 15 A 1 ATOM 105 C CB . VAL A 1 15 ? 0.493 5.662 0.543 1.00 84.12 15 A 1 ATOM 106 C CG1 . VAL A 1 15 ? 1.656 6.628 0.304 1.00 78.65 15 A 1 ATOM 107 C CG2 . VAL A 1 15 ? 0.334 5.501 2.062 1.00 80.53 15 A 1 ATOM 108 N N . GLY A 1 16 ? -0.568 5.571 -2.478 1.00 85.44 16 A 1 ATOM 109 C CA . GLY A 1 16 ? -0.432 5.845 -3.910 1.00 84.82 16 A 1 ATOM 110 C C . GLY A 1 16 ? -1.639 6.574 -4.514 1.00 85.23 16 A 1 ATOM 111 O O . GLY A 1 16 ? -1.475 7.367 -5.440 1.00 83.08 16 A 1 ATOM 112 N N . ASN A 1 17 ? -2.843 6.349 -3.987 1.00 83.92 17 A 1 ATOM 113 C CA . ASN A 1 17 ? -4.041 7.084 -4.417 1.00 84.30 17 A 1 ATOM 114 C C . ASN A 1 17 ? -4.048 8.532 -3.904 1.00 82.86 17 A 1 ATOM 115 O O . ASN A 1 17 ? -4.460 9.428 -4.633 1.00 81.20 17 A 1 ATOM 116 C CB . ASN A 1 17 ? -5.284 6.304 -3.970 1.00 82.07 17 A 1 ATOM 117 C CG . ASN A 1 17 ? -6.553 6.883 -4.567 1.00 76.33 17 A 1 ATOM 118 O OD1 . ASN A 1 17 ? -6.946 6.545 -5.671 1.00 71.19 17 A 1 ATOM 119 N ND2 . ASN A 1 17 ? -7.248 7.744 -3.864 1.00 71.74 17 A 1 ATOM 120 N N . GLU A 1 18 ? -3.567 8.773 -2.683 1.00 79.01 18 A 1 ATOM 121 C CA . GLU A 1 18 ? -3.447 10.126 -2.110 1.00 78.97 18 A 1 ATOM 122 C C . GLU A 1 18 ? -2.389 10.963 -2.857 1.00 78.63 18 A 1 ATOM 123 O O . GLU A 1 18 ? -2.622 12.134 -3.153 1.00 75.58 18 A 1 ATOM 124 C CB . GLU A 1 18 ? -3.128 10.002 -0.607 1.00 75.48 18 A 1 ATOM 125 C CG . GLU A 1 18 ? -3.190 11.348 0.127 1.00 68.51 18 A 1 ATOM 126 C CD . GLU A 1 18 ? -2.978 11.175 1.635 1.00 65.91 18 A 1 ATOM 127 O OE1 . GLU A 1 18 ? -1.821 11.298 2.092 1.00 59.28 18 A 1 ATOM 128 O OE2 . GLU A 1 18 ? -3.980 10.907 2.339 1.00 61.14 18 A 1 ATOM 129 N N . GLU A 1 19 ? -1.258 10.353 -3.254 1.00 80.61 19 A 1 ATOM 130 C CA . GLU A 1 19 ? -0.220 11.028 -4.049 1.00 79.01 19 A 1 ATOM 131 C C . GLU A 1 19 ? -0.680 11.302 -5.500 1.00 78.52 19 A 1 ATOM 132 O O . GLU A 1 19 ? -0.226 12.255 -6.130 1.00 72.40 19 A 1 ATOM 133 C CB . GLU A 1 19 ? 1.073 10.190 -4.001 1.00 74.69 19 A 1 ATOM 134 C CG . GLU A 1 19 ? 2.290 10.957 -4.532 1.00 66.61 19 A 1 ATOM 135 C CD . GLU A 1 19 ? 3.596 10.176 -4.336 1.00 63.74 19 A 1 ATOM 136 O OE1 . GLU A 1 19 ? 3.985 9.434 -5.260 1.00 58.27 19 A 1 ATOM 137 O OE2 . GLU A 1 19 ? 4.218 10.332 -3.261 1.00 59.96 19 A 1 ATOM 138 N N . GLY A 1 20 ? -1.617 10.512 -6.029 1.00 76.50 20 A 1 ATOM 139 C CA . GLY A 1 20 ? -2.177 10.689 -7.373 1.00 73.50 20 A 1 ATOM 140 C C . GLY A 1 20 ? -3.188 11.839 -7.513 1.00 72.72 20 A 1 ATOM 141 O O . GLY A 1 20 ? -3.543 12.186 -8.642 1.00 68.39 20 A 1 ATOM 142 N N . GLU A 1 21 ? -3.654 12.440 -6.413 1.00 70.65 21 A 1 ATOM 143 C CA . GLU A 1 21 ? -4.544 13.621 -6.400 1.00 70.14 21 A 1 ATOM 144 C C . GLU A 1 21 ? -3.789 14.955 -6.214 1.00 69.11 21 A 1 ATOM 145 O O . GLU A 1 21 ? -4.420 16.000 -6.071 1.00 62.93 21 A 1 ATOM 146 C CB . GLU A 1 21 ? -5.681 13.444 -5.375 1.00 65.45 21 A 1 ATOM 147 C CG . GLU A 1 21 ? -6.802 12.529 -5.888 1.00 58.74 21 A 1 ATOM 148 C CD . GLU A 1 21 ? -8.112 12.716 -5.094 1.00 57.03 21 A 1 ATOM 149 O OE1 . GLU A 1 21 ? -8.933 13.582 -5.470 1.00 53.70 21 A 1 ATOM 150 O OE2 . GLU A 1 21 ? -8.312 11.974 -4.106 1.00 54.49 21 A 1 ATOM 151 N N . ALA A 1 22 ? -2.436 14.947 -6.242 1.00 68.28 22 A 1 ATOM 152 C CA . ALA A 1 22 ? -1.601 16.148 -6.170 1.00 68.20 22 A 1 ATOM 153 C C . ALA A 1 22 ? -1.159 16.634 -7.558 1.00 64.67 22 A 1 ATOM 154 O O . ALA A 1 22 ? -0.793 15.792 -8.402 1.00 58.63 22 A 1 ATOM 155 C CB . ALA A 1 22 ? -0.426 15.889 -5.226 1.00 61.55 22 A 1 ATOM 156 O OXT . ALA A 1 22 ? -1.163 17.865 -7.774 1.00 53.03 22 A 1 #