# 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_spkb38749 # _entry.id spkb38749 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 LYS 2 1 n ARG 3 1 n LYS 4 1 n VAL 5 1 n LEU 6 1 n ALA 7 1 n MET 8 1 n LEU 9 1 n VAL 10 1 n PRO 11 1 n ALA 12 1 n LEU 13 1 n LEU 14 1 n VAL 15 1 n ALA 16 1 n GLY 17 1 n ALA 18 1 n ALA 19 1 n ASN 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 @ 2025-07-04 10:46:04)" _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 92.25 _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 82.79 1 1 A LYS 2 2 87.01 1 2 A ARG 3 2 84.38 1 3 A LYS 4 2 89.96 1 4 A VAL 5 2 95.61 1 5 A LEU 6 2 94.09 1 6 A ALA 7 2 97.39 1 7 A MET 8 2 92.18 1 8 A LEU 9 2 93.90 1 9 A VAL 10 2 95.95 1 10 A PRO 11 2 96.85 1 11 A ALA 12 2 96.86 1 12 A LEU 13 2 94.46 1 13 A LEU 14 2 94.29 1 14 A VAL 15 2 95.85 1 15 A ALA 16 2 96.20 1 16 A GLY 17 2 96.10 1 17 A ALA 18 2 96.39 1 18 A ALA 19 2 95.49 1 19 A ASN 20 2 89.65 1 20 A ALA 21 2 85.84 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 LYS . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n MET . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n PRO . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n ASN . 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 ? -1.766 15.138 9.112 1.00 87.08 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.560 13.938 9.463 1.00 90.15 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.760 12.671 9.172 1.00 92.10 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.613 12.282 8.018 1.00 88.57 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.858 13.883 8.669 1.00 84.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? -4.756 15.085 8.922 1.00 78.47 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.151 16.581 8.120 1.00 75.47 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.472 17.712 8.524 1.00 66.44 1 A 1 ATOM 9 N N . LYS A 1 2 ? -1.255 12.028 10.220 1.00 93.61 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -0.461 10.810 10.058 1.00 94.35 2 A 1 ATOM 11 C C . LYS A 1 2 ? -1.312 9.656 9.531 1.00 95.05 2 A 1 ATOM 12 O O . LYS A 1 2 ? -0.827 8.808 8.784 1.00 94.23 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 0.173 10.413 11.393 1.00 92.95 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 1.233 11.397 11.859 1.00 85.15 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 1.851 10.944 13.169 1.00 83.49 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 2.924 11.917 13.625 1.00 74.96 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 3.532 11.499 14.920 1.00 69.30 2 A 1 ATOM 18 N N . ARG A 1 3 ? -2.585 9.631 9.924 1.00 95.23 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -3.500 8.573 9.490 1.00 96.19 3 A 1 ATOM 20 C C . ARG A 1 3 ? -3.670 8.588 7.977 1.00 96.99 3 A 1 ATOM 21 O O . ARG A 1 3 ? -3.707 7.539 7.338 1.00 95.51 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -4.859 8.742 10.174 1.00 94.80 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -5.838 7.643 9.810 1.00 87.97 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -5.371 6.299 10.358 1.00 83.68 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -5.308 6.302 11.826 1.00 75.91 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -4.816 5.307 12.551 1.00 72.38 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -4.327 4.236 11.967 1.00 66.45 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -4.815 5.394 13.869 1.00 63.11 3 A 1 ATOM 29 N N . LYS A 1 4 ? -3.777 9.785 7.402 1.00 96.34 4 A 1 ATOM 30 C CA . LYS A 1 4 ? -3.927 9.927 5.956 1.00 96.77 4 A 1 ATOM 31 C C . LYS A 1 4 ? -2.685 9.421 5.240 1.00 97.13 4 A 1 ATOM 32 O O . LYS A 1 4 ? -2.782 8.709 4.238 1.00 96.52 4 A 1 ATOM 33 C CB . LYS A 1 4 ? -4.180 11.383 5.582 1.00 96.39 4 A 1 ATOM 34 C CG . LYS A 1 4 ? -4.387 11.573 4.085 1.00 89.81 4 A 1 ATOM 35 C CD . LYS A 1 4 ? -4.617 13.035 3.740 1.00 85.78 4 A 1 ATOM 36 C CE . LYS A 1 4 ? -4.798 13.216 2.237 1.00 78.79 4 A 1 ATOM 37 N NZ . LYS A 1 4 ? -4.992 14.644 1.871 1.00 72.08 4 A 1 ATOM 38 N N . VAL A 1 5 ? -1.514 9.783 5.743 1.00 96.45 5 A 1 ATOM 39 C CA . VAL A 1 5 ? -0.246 9.355 5.159 1.00 96.65 5 A 1 ATOM 40 C C . VAL A 1 5 ? -0.120 7.841 5.217 1.00 96.86 5 A 1 ATOM 41 O O . VAL A 1 5 ? 0.276 7.197 4.241 1.00 96.05 5 A 1 ATOM 42 C CB . VAL A 1 5 ? 0.944 9.998 5.886 1.00 96.26 5 A 1 ATOM 43 C CG1 . VAL A 1 5 ? 2.259 9.482 5.325 1.00 93.42 5 A 1 ATOM 44 C CG2 . VAL A 1 5 ? 0.875 11.512 5.757 1.00 93.60 5 A 1 ATOM 45 N N . LEU A 1 6 ? -0.465 7.267 6.366 1.00 97.26 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -0.392 5.824 6.550 1.00 97.09 6 A 1 ATOM 47 C C . LEU A 1 6 ? -1.339 5.112 5.595 1.00 97.33 6 A 1 ATOM 48 O O . LEU A 1 6 ? -1.003 4.060 5.045 1.00 97.00 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -0.742 5.461 7.992 1.00 96.79 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -0.632 3.972 8.304 1.00 91.46 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? 0.796 3.487 8.139 1.00 88.46 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -1.125 3.697 9.719 1.00 87.30 6 A 1 ATOM 53 N N . ALA A 1 7 ? -2.522 5.680 5.394 1.00 97.57 7 A 1 ATOM 54 C CA . ALA A 1 7 ? -3.522 5.109 4.500 1.00 97.60 7 A 1 ATOM 55 C C . ALA A 1 7 ? -3.014 5.064 3.063 1.00 97.71 7 A 1 ATOM 56 O O . ALA A 1 7 ? -3.438 4.222 2.275 1.00 96.99 7 A 1 ATOM 57 C CB . ALA A 1 7 ? -4.811 5.920 4.569 1.00 97.07 7 A 1 ATOM 58 N N . MET A 1 8 ? -2.119 5.969 2.724 1.00 97.21 8 A 1 ATOM 59 C CA . MET A 1 8 ? -1.542 6.018 1.382 1.00 97.00 8 A 1 ATOM 60 C C . MET A 1 8 ? -0.351 5.071 1.257 1.00 97.33 8 A 1 ATOM 61 O O . MET A 1 8 ? -0.111 4.494 0.196 1.00 96.08 8 A 1 ATOM 62 C CB . MET A 1 8 ? -1.107 7.444 1.052 1.00 96.57 8 A 1 ATOM 63 C CG . MET A 1 8 ? -2.272 8.413 0.983 1.00 91.22 8 A 1 ATOM 64 S SD . MET A 1 8 ? -3.404 8.066 -0.362 1.00 85.23 8 A 1 ATOM 65 C CE . MET A 1 8 ? -2.381 8.418 -1.773 1.00 76.81 8 A 1 ATOM 66 N N . LEU A 1 9 ? 0.395 4.916 2.341 1.00 96.44 9 A 1 ATOM 67 C CA . LEU A 1 9 ? 1.582 4.069 2.345 1.00 96.51 9 A 1 ATOM 68 C C . LEU A 1 9 ? 1.239 2.584 2.329 1.00 97.17 9 A 1 ATOM 69 O O . LEU A 1 9 ? 1.911 1.796 1.661 1.00 96.97 9 A 1 ATOM 70 C CB . LEU A 1 9 ? 2.443 4.379 3.572 1.00 96.38 9 A 1 ATOM 71 C CG . LEU A 1 9 ? 3.075 5.770 3.572 1.00 91.43 9 A 1 ATOM 72 C CD1 . LEU A 1 9 ? 3.767 6.030 4.903 1.00 87.80 9 A 1 ATOM 73 C CD2 . LEU A 1 9 ? 4.063 5.915 2.429 1.00 88.52 9 A 1 ATOM 74 N N . VAL A 1 10 ? 0.196 2.200 3.067 1.00 97.03 10 A 1 ATOM 75 C CA . VAL A 1 10 ? -0.217 0.797 3.136 1.00 96.88 10 A 1 ATOM 76 C C . VAL A 1 10 ? -0.519 0.207 1.756 1.00 97.29 10 A 1 ATOM 77 O O . VAL A 1 10 ? 0.059 -0.820 1.385 1.00 97.11 10 A 1 ATOM 78 C CB . VAL A 1 10 ? -1.424 0.623 4.074 1.00 96.18 10 A 1 ATOM 79 C CG1 . VAL A 1 10 ? -1.953 -0.803 4.011 1.00 93.50 10 A 1 ATOM 80 C CG2 . VAL A 1 10 ? -1.025 0.967 5.498 1.00 93.66 10 A 1 ATOM 81 N N . PRO A 1 11 ? -1.428 0.816 0.982 1.00 97.46 11 A 1 ATOM 82 C CA . PRO A 1 11 ? -1.747 0.282 -0.350 1.00 97.32 11 A 1 ATOM 83 C C . PRO A 1 11 ? -0.556 0.363 -1.292 1.00 97.57 11 A 1 ATOM 84 O O . PRO A 1 11 ? -0.375 -0.507 -2.143 1.00 96.89 11 A 1 ATOM 85 C CB . PRO A 1 11 ? -2.897 1.175 -0.834 1.00 96.49 11 A 1 ATOM 86 C CG . PRO A 1 11 ? -2.736 2.436 -0.054 1.00 95.35 11 A 1 ATOM 87 C CD . PRO A 1 11 ? -2.209 2.004 1.291 1.00 96.86 11 A 1 ATOM 88 N N . ALA A 1 12 ? 0.264 1.386 -1.144 1.00 97.28 12 A 1 ATOM 89 C CA . ALA A 1 12 ? 1.449 1.546 -1.979 1.00 97.14 12 A 1 ATOM 90 C C . ALA A 1 12 ? 2.416 0.387 -1.758 1.00 97.43 12 A 1 ATOM 91 O O . ALA A 1 12 ? 3.037 -0.106 -2.700 1.00 96.06 12 A 1 ATOM 92 C CB . ALA A 1 12 ? 2.141 2.867 -1.664 1.00 96.39 12 A 1 ATOM 93 N N . LEU A 1 13 ? 2.535 -0.052 -0.503 1.00 97.18 13 A 1 ATOM 94 C CA . LEU A 1 13 ? 3.416 -1.162 -0.159 1.00 96.90 13 A 1 ATOM 95 C C . LEU A 1 13 ? 2.912 -2.458 -0.776 1.00 97.15 13 A 1 ATOM 96 O O . LEU A 1 13 ? 3.700 -3.278 -1.252 1.00 95.99 13 A 1 ATOM 97 C CB . LEU A 1 13 ? 3.504 -1.312 1.358 1.00 96.56 13 A 1 ATOM 98 C CG . LEU A 1 13 ? 4.458 -2.413 1.816 1.00 93.34 13 A 1 ATOM 99 C CD1 . LEU A 1 13 ? 5.880 -2.109 1.385 1.00 89.39 13 A 1 ATOM 100 C CD2 . LEU A 1 13 ? 4.391 -2.571 3.329 1.00 89.15 13 A 1 ATOM 101 N N . LEU A 1 14 ? 1.595 -2.650 -0.766 1.00 97.19 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 0.991 -3.852 -1.329 1.00 96.88 14 A 1 ATOM 103 C C . LEU A 1 14 ? 1.233 -3.925 -2.830 1.00 97.11 14 A 1 ATOM 104 O O . LEU A 1 14 ? 1.549 -4.987 -3.369 1.00 96.15 14 A 1 ATOM 105 C CB . LEU A 1 14 ? -0.511 -3.863 -1.045 1.00 96.42 14 A 1 ATOM 106 C CG . LEU A 1 14 ? -0.870 -4.007 0.434 1.00 92.40 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? -2.368 -3.849 0.630 1.00 89.14 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? -0.404 -5.351 0.970 1.00 89.06 14 A 1 ATOM 109 N N . VAL A 1 15 ? 1.084 -2.797 -3.506 1.00 97.37 15 A 1 ATOM 110 C CA . VAL A 1 15 ? 1.308 -2.730 -4.947 1.00 96.87 15 A 1 ATOM 111 C C . VAL A 1 15 ? 2.761 -3.049 -5.269 1.00 96.95 15 A 1 ATOM 112 O O . VAL A 1 15 ? 3.053 -3.804 -6.200 1.00 96.16 15 A 1 ATOM 113 C CB . VAL A 1 15 ? 0.952 -1.343 -5.492 1.00 96.00 15 A 1 ATOM 114 C CG1 . VAL A 1 15 ? 1.308 -1.247 -6.969 1.00 93.40 15 A 1 ATOM 115 C CG2 . VAL A 1 15 ? -0.521 -1.064 -5.281 1.00 94.22 15 A 1 ATOM 116 N N . ALA A 1 16 ? 3.667 -2.480 -4.486 1.00 96.99 16 A 1 ATOM 117 C CA . ALA A 1 16 ? 5.091 -2.722 -4.675 1.00 96.39 16 A 1 ATOM 118 C C . ALA A 1 16 ? 5.421 -4.192 -4.451 1.00 96.76 16 A 1 ATOM 119 O O . ALA A 1 16 ? 6.257 -4.764 -5.149 1.00 95.34 16 A 1 ATOM 120 C CB . ALA A 1 16 ? 5.900 -1.856 -3.717 1.00 95.52 16 A 1 ATOM 121 N N . GLY A 1 17 ? 4.758 -4.808 -3.469 1.00 96.29 17 A 1 ATOM 122 C CA . GLY A 1 17 ? 4.971 -6.218 -3.178 1.00 95.68 17 A 1 ATOM 123 C C . GLY A 1 17 ? 4.536 -7.094 -4.329 1.00 96.42 17 A 1 ATOM 124 O O . GLY A 1 17 ? 5.186 -8.092 -4.643 1.00 96.00 17 A 1 ATOM 125 N N . ALA A 1 18 ? 3.431 -6.728 -4.981 1.00 97.04 18 A 1 ATOM 126 C CA . ALA A 1 18 ? 2.918 -7.479 -6.121 1.00 96.71 18 A 1 ATOM 127 C C . ALA A 1 18 ? 3.906 -7.446 -7.277 1.00 97.04 18 A 1 ATOM 128 O O . ALA A 1 18 ? 4.051 -8.424 -8.011 1.00 95.48 18 A 1 ATOM 129 C CB . ALA A 1 18 ? 1.579 -6.905 -6.567 1.00 95.68 18 A 1 ATOM 130 N N . ALA A 1 19 ? 4.582 -6.323 -7.447 1.00 96.27 19 A 1 ATOM 131 C CA . ALA A 1 19 ? 5.575 -6.173 -8.504 1.00 95.80 19 A 1 ATOM 132 C C . ALA A 1 19 ? 6.817 -7.008 -8.210 1.00 96.12 19 A 1 ATOM 133 O O . ALA A 1 19 ? 7.452 -7.539 -9.122 1.00 94.43 19 A 1 ATOM 134 C CB . ALA A 1 19 ? 5.962 -4.709 -8.657 1.00 94.82 19 A 1 ATOM 135 N N . ASN A 1 20 ? 7.154 -7.128 -6.928 1.00 93.76 20 A 1 ATOM 136 C CA . ASN A 1 20 ? 8.317 -7.909 -6.511 1.00 93.66 20 A 1 ATOM 137 C C . ASN A 1 20 ? 8.047 -9.403 -6.561 1.00 94.30 20 A 1 ATOM 138 O O . ASN A 1 20 ? 8.949 -10.197 -6.834 1.00 92.80 20 A 1 ATOM 139 C CB . ASN A 1 20 ? 8.723 -7.505 -5.097 1.00 92.47 20 A 1 ATOM 140 C CG . ASN A 1 20 ? 9.351 -6.132 -5.072 1.00 87.92 20 A 1 ATOM 141 O OD1 . ASN A 1 20 ? 10.194 -5.811 -5.902 1.00 82.21 20 A 1 ATOM 142 N ND2 . ASN A 1 20 ? 8.958 -5.311 -4.114 1.00 80.06 20 A 1 ATOM 143 N N . ALA A 1 21 ? 6.804 -9.790 -6.295 1.00 91.88 21 A 1 ATOM 144 C CA . ALA A 1 21 ? 6.417 -11.194 -6.279 1.00 89.64 21 A 1 ATOM 145 C C . ALA A 1 21 ? 5.537 -11.528 -7.482 1.00 87.49 21 A 1 ATOM 146 O O . ALA A 1 21 ? 4.353 -11.172 -7.477 1.00 81.88 21 A 1 ATOM 147 C CB . ALA A 1 21 ? 5.700 -11.530 -4.981 1.00 85.86 21 A 1 ATOM 148 O OXT . ALA A 1 21 ? 6.047 -12.154 -8.431 1.00 78.32 21 A 1 #