# 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_spkb17494 # _entry.id spkb17494 # 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" "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" "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" "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 ASN 2 1 n PRO 3 1 n ALA 4 1 n HIS 5 1 n LEU 6 1 n LEU 7 1 n ILE 8 1 n LEU 9 1 n SER 10 1 n ALA 11 1 n VAL 12 1 n CYS 13 1 n VAL 14 1 n SER 15 1 n LEU 16 1 n LEU 17 1 n GLY 18 1 n ALA 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 @ 2025-07-07 11:58:14)" _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 92.24 _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 80.20 1 1 A ASN 2 2 86.78 1 2 A PRO 3 2 92.25 1 3 A ALA 4 2 94.59 1 4 A HIS 5 2 92.58 1 5 A LEU 6 2 93.27 1 6 A LEU 7 2 94.28 1 7 A ILE 8 2 95.30 1 8 A LEU 9 2 92.53 1 9 A SER 10 2 93.45 1 10 A ALA 11 2 96.20 1 11 A VAL 12 2 96.09 1 12 A CYS 13 2 94.65 1 13 A VAL 14 2 96.10 1 14 A SER 15 2 95.67 1 15 A LEU 16 2 94.50 1 16 A LEU 17 2 92.33 1 17 A GLY 18 2 93.48 1 18 A ALA 19 2 81.25 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 ASN . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n HIS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n ALA . 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 ? -12.451 4.237 6.034 1.00 85.44 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.266 3.366 5.879 1.00 86.85 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.402 3.444 7.133 1.00 89.02 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.280 4.509 7.743 1.00 87.04 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.448 3.784 4.642 1.00 81.55 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.424 2.745 4.220 1.00 76.83 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.489 3.207 2.739 1.00 71.24 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.774 3.184 1.493 1.00 63.67 1 A 1 ATOM 9 N N . ASN A 1 2 ? -9.818 2.334 7.540 1.00 86.29 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -8.981 2.270 8.737 1.00 90.74 2 A 1 ATOM 11 C C . ASN A 1 2 ? -7.653 3.006 8.500 1.00 92.37 2 A 1 ATOM 12 O O . ASN A 1 2 ? -7.001 2.760 7.482 1.00 92.78 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -8.732 0.799 9.097 1.00 87.17 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -8.045 0.625 10.442 1.00 83.07 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -8.017 1.526 11.263 1.00 82.13 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -7.500 -0.554 10.674 1.00 79.65 2 A 1 ATOM 17 N N . PRO A 1 3 ? -7.233 3.903 9.417 1.00 92.27 3 A 1 ATOM 18 C CA . PRO A 1 3 ? -5.962 4.632 9.278 1.00 94.24 3 A 1 ATOM 19 C C . PRO A 1 3 ? -4.757 3.715 9.064 1.00 95.45 3 A 1 ATOM 20 O O . PRO A 1 3 ? -3.842 4.059 8.313 1.00 94.34 3 A 1 ATOM 21 C CB . PRO A 1 3 ? -5.835 5.409 10.598 1.00 91.47 3 A 1 ATOM 22 C CG . PRO A 1 3 ? -7.253 5.606 11.046 1.00 87.99 3 A 1 ATOM 23 C CD . PRO A 1 3 ? -7.986 4.362 10.586 1.00 89.97 3 A 1 ATOM 24 N N . ALA A 1 4 ? -4.750 2.536 9.704 1.00 93.61 4 A 1 ATOM 25 C CA . ALA A 1 4 ? -3.666 1.564 9.548 1.00 94.79 4 A 1 ATOM 26 C C . ALA A 1 4 ? -3.541 1.089 8.099 1.00 95.99 4 A 1 ATOM 27 O O . ALA A 1 4 ? -2.434 0.884 7.598 1.00 95.45 4 A 1 ATOM 28 C CB . ALA A 1 4 ? -3.900 0.376 10.476 1.00 93.11 4 A 1 ATOM 29 N N . HIS A 1 5 ? -4.686 0.932 7.404 1.00 95.79 5 A 1 ATOM 30 C CA . HIS A 1 5 ? -4.706 0.514 6.003 1.00 96.30 5 A 1 ATOM 31 C C . HIS A 1 5 ? -4.062 1.571 5.107 1.00 96.93 5 A 1 ATOM 32 O O . HIS A 1 5 ? -3.327 1.241 4.174 1.00 96.89 5 A 1 ATOM 33 C CB . HIS A 1 5 ? -6.143 0.241 5.558 1.00 95.81 5 A 1 ATOM 34 C CG . HIS A 1 5 ? -6.226 -0.343 4.180 1.00 93.61 5 A 1 ATOM 35 N ND1 . HIS A 1 5 ? -6.798 0.298 3.106 1.00 85.11 5 A 1 ATOM 36 C CD2 . HIS A 1 5 ? -5.781 -1.537 3.724 1.00 86.70 5 A 1 ATOM 37 C CE1 . HIS A 1 5 ? -6.706 -0.489 2.042 1.00 88.71 5 A 1 ATOM 38 N NE2 . HIS A 1 5 ? -6.092 -1.612 2.380 1.00 89.92 5 A 1 ATOM 39 N N . LEU A 1 6 ? -4.314 2.855 5.403 1.00 96.14 6 A 1 ATOM 40 C CA . LEU A 1 6 ? -3.721 3.960 4.649 1.00 96.02 6 A 1 ATOM 41 C C . LEU A 1 6 ? -2.201 3.996 4.820 1.00 96.44 6 A 1 ATOM 42 O O . LEU A 1 6 ? -1.470 4.236 3.855 1.00 96.38 6 A 1 ATOM 43 C CB . LEU A 1 6 ? -4.333 5.295 5.091 1.00 95.55 6 A 1 ATOM 44 C CG . LEU A 1 6 ? -5.812 5.461 4.747 1.00 90.80 6 A 1 ATOM 45 C CD1 . LEU A 1 6 ? -6.342 6.756 5.344 1.00 87.67 6 A 1 ATOM 46 C CD2 . LEU A 1 6 ? -6.022 5.460 3.238 1.00 87.16 6 A 1 ATOM 47 N N . LEU A 1 7 ? -1.718 3.747 6.038 1.00 95.79 7 A 1 ATOM 48 C CA . LEU A 1 7 ? -0.282 3.725 6.319 1.00 96.11 7 A 1 ATOM 49 C C . LEU A 1 7 ? 0.413 2.587 5.570 1.00 96.81 7 A 1 ATOM 50 O O . LEU A 1 7 ? 1.476 2.785 4.977 1.00 96.96 7 A 1 ATOM 51 C CB . LEU A 1 7 ? -0.041 3.588 7.826 1.00 95.82 7 A 1 ATOM 52 C CG . LEU A 1 7 ? -0.478 4.803 8.656 1.00 92.13 7 A 1 ATOM 53 C CD1 . LEU A 1 7 ? -0.324 4.498 10.143 1.00 90.39 7 A 1 ATOM 54 C CD2 . LEU A 1 7 ? 0.334 6.038 8.294 1.00 90.27 7 A 1 ATOM 55 N N . ILE A 1 8 ? -0.204 1.402 5.572 1.00 96.09 8 A 1 ATOM 56 C CA . ILE A 1 8 ? 0.336 0.241 4.866 1.00 96.38 8 A 1 ATOM 57 C C . ILE A 1 8 ? 0.351 0.498 3.358 1.00 96.71 8 A 1 ATOM 58 O O . ILE A 1 8 ? 1.357 0.249 2.686 1.00 96.59 8 A 1 ATOM 59 C CB . ILE A 1 8 ? -0.472 -1.029 5.204 1.00 96.54 8 A 1 ATOM 60 C CG1 . ILE A 1 8 ? -0.284 -1.398 6.684 1.00 95.04 8 A 1 ATOM 61 C CG2 . ILE A 1 8 ? -0.049 -2.200 4.306 1.00 94.46 8 A 1 ATOM 62 C CD1 . ILE A 1 8 ? -1.270 -2.443 7.186 1.00 90.62 8 A 1 ATOM 63 N N . LEU A 1 9 ? -0.754 1.010 2.826 1.00 95.39 9 A 1 ATOM 64 C CA . LEU A 1 9 ? -0.863 1.306 1.397 1.00 95.09 9 A 1 ATOM 65 C C . LEU A 1 9 ? 0.190 2.325 0.965 1.00 95.71 9 A 1 ATOM 66 O O . LEU A 1 9 ? 0.827 2.167 -0.080 1.00 96.09 9 A 1 ATOM 67 C CB . LEU A 1 9 ? -2.273 1.818 1.084 1.00 94.65 9 A 1 ATOM 68 C CG . LEU A 1 9 ? -2.538 2.105 -0.397 1.00 89.16 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? -2.383 0.848 -1.243 1.00 87.17 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? -3.942 2.677 -0.565 1.00 86.95 9 A 1 ATOM 71 N N . SER A 1 10 ? 0.400 3.361 1.774 1.00 95.04 10 A 1 ATOM 72 C CA . SER A 1 10 ? 1.402 4.388 1.494 1.00 95.21 10 A 1 ATOM 73 C C . SER A 1 10 ? 2.811 3.790 1.447 1.00 95.91 10 A 1 ATOM 74 O O . SER A 1 10 ? 3.583 4.077 0.530 1.00 95.48 10 A 1 ATOM 75 C CB . SER A 1 10 ? 1.335 5.490 2.553 1.00 93.97 10 A 1 ATOM 76 O OG . SER A 1 10 ? 2.269 6.510 2.270 1.00 85.09 10 A 1 ATOM 77 N N . ALA A 1 11 ? 3.139 2.933 2.416 1.00 95.84 11 A 1 ATOM 78 C CA . ALA A 1 11 ? 4.449 2.281 2.465 1.00 96.36 11 A 1 ATOM 79 C C . ALA A 1 11 ? 4.681 1.393 1.238 1.00 97.01 11 A 1 ATOM 80 O O . ALA A 1 11 ? 5.776 1.388 0.668 1.00 96.20 11 A 1 ATOM 81 C CB . ALA A 1 11 ? 4.565 1.461 3.751 1.00 95.59 11 A 1 ATOM 82 N N . VAL A 1 12 ? 3.646 0.653 0.818 1.00 96.76 12 A 1 ATOM 83 C CA . VAL A 1 12 ? 3.728 -0.204 -0.368 1.00 96.88 12 A 1 ATOM 84 C C . VAL A 1 12 ? 3.951 0.638 -1.624 1.00 97.25 12 A 1 ATOM 85 O O . VAL A 1 12 ? 4.805 0.309 -2.455 1.00 96.89 12 A 1 ATOM 86 C CB . VAL A 1 12 ? 2.463 -1.074 -0.507 1.00 96.25 12 A 1 ATOM 87 C CG1 . VAL A 1 12 ? 2.444 -1.826 -1.840 1.00 94.38 12 A 1 ATOM 88 C CG2 . VAL A 1 12 ? 2.388 -2.081 0.637 1.00 94.24 12 A 1 ATOM 89 N N . CYS A 1 13 ? 3.210 1.737 -1.764 1.00 96.20 13 A 1 ATOM 90 C CA . CYS A 1 13 ? 3.353 2.621 -2.917 1.00 96.17 13 A 1 ATOM 91 C C . CYS A 1 13 ? 4.766 3.208 -3.009 1.00 96.57 13 A 1 ATOM 92 O O . CYS A 1 13 ? 5.352 3.256 -4.089 1.00 95.86 13 A 1 ATOM 93 C CB . CYS A 1 13 ? 2.312 3.744 -2.852 1.00 94.80 13 A 1 ATOM 94 S SG . CYS A 1 13 ? 0.634 3.160 -3.166 1.00 88.30 13 A 1 ATOM 95 N N . VAL A 1 14 ? 5.320 3.645 -1.876 1.00 97.04 14 A 1 ATOM 96 C CA . VAL A 1 14 ? 6.679 4.190 -1.833 1.00 97.00 14 A 1 ATOM 97 C C . VAL A 1 14 ? 7.701 3.122 -2.217 1.00 97.54 14 A 1 ATOM 98 O O . VAL A 1 14 ? 8.633 3.395 -2.980 1.00 97.32 14 A 1 ATOM 99 C CB . VAL A 1 14 ? 6.991 4.771 -0.440 1.00 96.05 14 A 1 ATOM 100 C CG1 . VAL A 1 14 ? 8.464 5.164 -0.314 1.00 93.72 14 A 1 ATOM 101 C CG2 . VAL A 1 14 ? 6.123 5.993 -0.173 1.00 94.04 14 A 1 ATOM 102 N N . SER A 1 15 ? 7.521 1.900 -1.715 1.00 97.33 15 A 1 ATOM 103 C CA . SER A 1 15 ? 8.424 0.793 -2.025 1.00 97.43 15 A 1 ATOM 104 C C . SER A 1 15 ? 8.405 0.450 -3.515 1.00 97.88 15 A 1 ATOM 105 O O . SER A 1 15 ? 9.457 0.242 -4.122 1.00 97.21 15 A 1 ATOM 106 C CB . SER A 1 15 ? 8.053 -0.440 -1.203 1.00 96.45 15 A 1 ATOM 107 O OG . SER A 1 15 ? 8.199 -0.179 0.188 1.00 87.70 15 A 1 ATOM 108 N N . LEU A 1 16 ? 7.206 0.410 -4.116 1.00 97.28 16 A 1 ATOM 109 C CA . LEU A 1 16 ? 7.053 0.099 -5.537 1.00 97.16 16 A 1 ATOM 110 C C . LEU A 1 16 ? 7.602 1.213 -6.425 1.00 97.37 16 A 1 ATOM 111 O O . LEU A 1 16 ? 8.249 0.944 -7.441 1.00 96.98 16 A 1 ATOM 112 C CB . LEU A 1 16 ? 5.574 -0.154 -5.862 1.00 96.74 16 A 1 ATOM 113 C CG . LEU A 1 16 ? 4.986 -1.433 -5.255 1.00 91.77 16 A 1 ATOM 114 C CD1 . LEU A 1 16 ? 3.476 -1.470 -5.475 1.00 89.36 16 A 1 ATOM 115 C CD2 . LEU A 1 16 ? 5.627 -2.678 -5.861 1.00 89.30 16 A 1 ATOM 116 N N . LEU A 1 17 ? 7.347 2.464 -6.044 1.00 96.48 17 A 1 ATOM 117 C CA . LEU A 1 17 ? 7.789 3.621 -6.824 1.00 95.70 17 A 1 ATOM 118 C C . LEU A 1 17 ? 9.288 3.875 -6.674 1.00 95.80 17 A 1 ATOM 119 O O . LEU A 1 17 ? 9.949 4.309 -7.623 1.00 95.03 17 A 1 ATOM 120 C CB . LEU A 1 17 ? 6.989 4.862 -6.397 1.00 94.44 17 A 1 ATOM 121 C CG . LEU A 1 17 ? 7.259 6.126 -7.212 1.00 90.05 17 A 1 ATOM 122 C CD1 . LEU A 1 17 ? 6.845 5.942 -8.671 1.00 86.31 17 A 1 ATOM 123 C CD2 . LEU A 1 17 ? 6.514 7.306 -6.606 1.00 84.79 17 A 1 ATOM 124 N N . GLY A 1 18 ? 9.835 3.617 -5.486 1.00 94.89 18 A 1 ATOM 125 C CA . GLY A 1 18 ? 11.247 3.862 -5.192 1.00 93.60 18 A 1 ATOM 126 C C . GLY A 1 18 ? 12.178 2.714 -5.555 1.00 93.55 18 A 1 ATOM 127 O O . GLY A 1 18 ? 13.397 2.857 -5.454 1.00 91.89 18 A 1 ATOM 128 N N . ALA A 1 19 ? 11.628 1.564 -5.968 1.00 90.62 19 A 1 ATOM 129 C CA . ALA A 1 19 ? 12.422 0.396 -6.329 1.00 86.86 19 A 1 ATOM 130 C C . ALA A 1 19 ? 13.009 0.531 -7.738 1.00 82.43 19 A 1 ATOM 131 O O . ALA A 1 19 ? 12.400 1.195 -8.594 1.00 76.53 19 A 1 ATOM 132 C CB . ALA A 1 19 ? 11.579 -0.874 -6.211 1.00 80.02 19 A 1 ATOM 133 O OXT . ALA A 1 19 ? 14.074 -0.053 -7.998 1.00 71.06 19 A 1 #