# 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_spkb35221 # _entry.id spkb35221 # 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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 THR 2 1 n ASN 3 1 n PRO 4 1 n THR 5 1 n ILE 6 1 n LEU 7 1 n LEU 8 1 n THR 9 1 n THR 10 1 n VAL 11 1 n LEU 12 1 n LEU 13 1 n THR 14 1 n LEU 15 1 n LEU 16 1 n THR 17 1 n THR 18 1 n PRO 19 1 n ALA 20 1 n LEU 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 @ 2025-07-12 04:11:06)" _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 93.94 _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 83.37 1 1 A THR 2 2 89.84 1 2 A ASN 3 2 93.73 1 3 A PRO 4 2 97.02 1 4 A THR 5 2 95.38 1 5 A ILE 6 2 95.95 1 6 A LEU 7 2 94.53 1 7 A LEU 8 2 94.47 1 8 A THR 9 2 96.04 1 9 A THR 10 2 96.07 1 10 A VAL 11 2 96.58 1 11 A LEU 12 2 95.50 1 12 A LEU 13 2 95.78 1 13 A THR 14 2 95.69 1 14 A LEU 15 2 96.28 1 15 A LEU 16 2 95.94 1 16 A THR 17 2 95.44 1 17 A THR 18 2 94.94 1 18 A PRO 19 2 95.99 1 19 A ALA 20 2 94.62 1 20 A LEU 21 2 87.11 1 21 A ALA 22 2 86.55 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 MET . 1 A 1 A 2 1 n THR . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n ILE . 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 THR . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n LEU . 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 . MET A 1 1 ? 3.284 -1.992 19.602 1.00 90.38 1 A 1 ATOM 2 C CA . MET A 1 1 ? 2.295 -0.993 19.161 1.00 90.84 1 A 1 ATOM 3 C C . MET A 1 1 ? 2.072 -1.109 17.653 1.00 91.63 1 A 1 ATOM 4 O O . MET A 1 1 ? 2.623 -0.341 16.871 1.00 89.28 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.786 0.418 19.507 1.00 86.77 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.733 0.698 21.002 1.00 79.37 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.462 2.294 21.421 1.00 73.01 1 A 1 ATOM 8 C CE . MET A 1 1 ? 2.992 2.413 23.142 1.00 65.66 1 A 1 ATOM 9 N N . THR A 1 2 ? 1.255 -2.072 17.242 1.00 91.79 2 A 1 ATOM 10 C CA . THR A 1 2 ? 0.953 -2.271 15.826 1.00 93.91 2 A 1 ATOM 11 C C . THR A 1 2 ? -0.420 -1.694 15.503 1.00 94.93 2 A 1 ATOM 12 O O . THR A 1 2 ? -1.448 -2.257 15.883 1.00 93.37 2 A 1 ATOM 13 C CB . THR A 1 2 ? 0.979 -3.756 15.476 1.00 90.84 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? 2.186 -4.338 15.964 1.00 83.31 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? 0.897 -3.956 13.976 1.00 80.75 2 A 1 ATOM 16 N N . ASN A 1 3 ? -0.434 -0.558 14.815 1.00 95.42 3 A 1 ATOM 17 C CA . ASN A 1 3 ? -1.678 0.105 14.445 1.00 96.62 3 A 1 ATOM 18 C C . ASN A 1 3 ? -2.151 -0.379 13.071 1.00 97.19 3 A 1 ATOM 19 O O . ASN A 1 3 ? -1.357 -0.418 12.128 1.00 96.79 3 A 1 ATOM 20 C CB . ASN A 1 3 ? -1.473 1.624 14.446 1.00 95.12 3 A 1 ATOM 21 C CG . ASN A 1 3 ? -2.442 2.346 15.362 1.00 92.56 3 A 1 ATOM 22 O OD1 . ASN A 1 3 ? -3.643 2.184 15.261 1.00 89.45 3 A 1 ATOM 23 N ND2 . ASN A 1 3 ? -1.921 3.157 16.262 1.00 86.65 3 A 1 ATOM 24 N N . PRO A 1 4 ? -3.434 -0.747 12.934 1.00 97.61 4 A 1 ATOM 25 C CA . PRO A 1 4 ? -3.972 -1.202 11.646 1.00 97.65 4 A 1 ATOM 26 C C . PRO A 1 4 ? -3.928 -0.105 10.583 1.00 98.02 4 A 1 ATOM 27 O O . PRO A 1 4 ? -3.907 -0.394 9.385 1.00 97.50 4 A 1 ATOM 28 C CB . PRO A 1 4 ? -5.418 -1.604 11.978 1.00 96.51 4 A 1 ATOM 29 C CG . PRO A 1 4 ? -5.750 -0.858 13.234 1.00 95.22 4 A 1 ATOM 30 C CD . PRO A 1 4 ? -4.451 -0.751 13.990 1.00 96.61 4 A 1 ATOM 31 N N . THR A 1 5 ? -3.892 1.145 11.011 1.00 97.15 5 A 1 ATOM 32 C CA . THR A 1 5 ? -3.821 2.297 10.110 1.00 97.40 5 A 1 ATOM 33 C C . THR A 1 5 ? -2.522 2.284 9.306 1.00 97.68 5 A 1 ATOM 34 O O . THR A 1 5 ? -2.516 2.611 8.119 1.00 97.03 5 A 1 ATOM 35 C CB . THR A 1 5 ? -3.920 3.605 10.907 1.00 96.50 5 A 1 ATOM 36 O OG1 . THR A 1 5 ? -5.037 3.550 11.792 1.00 91.85 5 A 1 ATOM 37 C CG2 . THR A 1 5 ? -4.085 4.800 9.989 1.00 90.03 5 A 1 ATOM 38 N N . ILE A 1 6 ? -1.429 1.891 9.943 1.00 97.89 6 A 1 ATOM 39 C CA . ILE A 1 6 ? -0.127 1.827 9.282 1.00 97.73 6 A 1 ATOM 40 C C . ILE A 1 6 ? -0.145 0.757 8.194 1.00 97.89 6 A 1 ATOM 41 O O . ILE A 1 6 ? 0.345 0.968 7.083 1.00 97.59 6 A 1 ATOM 42 C CB . ILE A 1 6 ? 0.994 1.548 10.302 1.00 97.41 6 A 1 ATOM 43 C CG1 . ILE A 1 6 ? 1.066 2.676 11.344 1.00 94.80 6 A 1 ATOM 44 C CG2 . ILE A 1 6 ? 2.342 1.395 9.591 1.00 93.91 6 A 1 ATOM 45 C CD1 . ILE A 1 6 ? 1.985 2.371 12.514 1.00 90.40 6 A 1 ATOM 46 N N . LEU A 1 7 ? -0.734 -0.387 8.509 1.00 97.49 7 A 1 ATOM 47 C CA . LEU A 1 7 ? -0.835 -1.493 7.560 1.00 97.19 7 A 1 ATOM 48 C C . LEU A 1 7 ? -1.702 -1.106 6.361 1.00 97.28 7 A 1 ATOM 49 O O . LEU A 1 7 ? -1.335 -1.354 5.214 1.00 97.05 7 A 1 ATOM 50 C CB . LEU A 1 7 ? -1.420 -2.722 8.267 1.00 96.84 7 A 1 ATOM 51 C CG . LEU A 1 7 ? -1.022 -4.049 7.633 1.00 90.96 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? 0.405 -4.411 8.016 1.00 89.80 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? -1.971 -5.152 8.077 1.00 89.60 7 A 1 ATOM 54 N N . LEU A 1 8 ? -2.833 -0.485 6.623 1.00 97.28 8 A 1 ATOM 55 C CA . LEU A 1 8 ? -3.754 -0.048 5.576 1.00 97.29 8 A 1 ATOM 56 C C . LEU A 1 8 ? -3.111 1.008 4.682 1.00 97.57 8 A 1 ATOM 57 O O . LEU A 1 8 ? -3.238 0.962 3.457 1.00 97.47 8 A 1 ATOM 58 C CB . LEU A 1 8 ? -5.031 0.501 6.215 1.00 96.97 8 A 1 ATOM 59 C CG . LEU A 1 8 ? -6.179 0.734 5.237 1.00 90.01 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? -6.736 -0.596 4.740 1.00 89.30 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? -7.283 1.543 5.896 1.00 89.85 8 A 1 ATOM 62 N N . THR A 1 9 ? -2.409 1.948 5.283 1.00 97.30 9 A 1 ATOM 63 C CA . THR A 1 9 ? -1.720 3.011 4.547 1.00 97.39 9 A 1 ATOM 64 C C . THR A 1 9 ? -0.644 2.422 3.638 1.00 97.72 9 A 1 ATOM 65 O O . THR A 1 9 ? -0.485 2.849 2.494 1.00 97.26 9 A 1 ATOM 66 C CB . THR A 1 9 ? -1.092 4.019 5.518 1.00 96.94 9 A 1 ATOM 67 O OG1 . THR A 1 9 ? -2.097 4.557 6.374 1.00 93.64 9 A 1 ATOM 68 C CG2 . THR A 1 9 ? -0.444 5.179 4.775 1.00 92.05 9 A 1 ATOM 69 N N . THR A 1 10 ? 0.073 1.433 4.134 1.00 97.23 10 A 1 ATOM 70 C CA . THR A 1 10 ? 1.120 0.770 3.361 1.00 97.19 10 A 1 ATOM 71 C C . THR A 1 10 ? 0.532 0.058 2.143 1.00 97.56 10 A 1 ATOM 72 O O . THR A 1 10 ? 1.085 0.142 1.046 1.00 97.09 10 A 1 ATOM 73 C CB . THR A 1 10 ? 1.880 -0.234 4.237 1.00 96.70 10 A 1 ATOM 74 O OG1 . THR A 1 10 ? 2.426 0.436 5.368 1.00 93.86 10 A 1 ATOM 75 C CG2 . THR A 1 10 ? 3.029 -0.880 3.475 1.00 92.89 10 A 1 ATOM 76 N N . VAL A 1 11 ? -0.596 -0.618 2.320 1.00 97.20 11 A 1 ATOM 77 C CA . VAL A 1 11 ? -1.269 -1.320 1.225 1.00 97.08 11 A 1 ATOM 78 C C . VAL A 1 11 ? -1.739 -0.335 0.156 1.00 97.45 11 A 1 ATOM 79 O O . VAL A 1 11 ? -1.535 -0.559 -1.039 1.00 97.13 11 A 1 ATOM 80 C CB . VAL A 1 11 ? -2.453 -2.149 1.757 1.00 96.71 11 A 1 ATOM 81 C CG1 . VAL A 1 11 ? -3.277 -2.738 0.620 1.00 95.38 11 A 1 ATOM 82 C CG2 . VAL A 1 11 ? -1.949 -3.273 2.652 1.00 95.11 11 A 1 ATOM 83 N N . LEU A 1 12 ? -2.353 0.757 0.582 1.00 97.22 12 A 1 ATOM 84 C CA . LEU A 1 12 ? -2.831 1.782 -0.342 1.00 97.06 12 A 1 ATOM 85 C C . LEU A 1 12 ? -1.676 2.413 -1.114 1.00 97.32 12 A 1 ATOM 86 O O . LEU A 1 12 ? -1.771 2.626 -2.323 1.00 97.20 12 A 1 ATOM 87 C CB . LEU A 1 12 ? -3.589 2.861 0.433 1.00 96.76 12 A 1 ATOM 88 C CG . LEU A 1 12 ? -4.989 2.444 0.880 1.00 93.60 12 A 1 ATOM 89 C CD1 . LEU A 1 12 ? -5.527 3.410 1.923 1.00 92.28 12 A 1 ATOM 90 C CD2 . LEU A 1 12 ? -5.935 2.398 -0.315 1.00 92.53 12 A 1 ATOM 91 N N . LEU A 1 13 ? -0.593 2.705 -0.420 1.00 97.64 13 A 1 ATOM 92 C CA . LEU A 1 13 ? 0.594 3.287 -1.038 1.00 97.46 13 A 1 ATOM 93 C C . LEU A 1 13 ? 1.215 2.319 -2.040 1.00 97.66 13 A 1 ATOM 94 O O . LEU A 1 13 ? 1.634 2.720 -3.124 1.00 97.35 13 A 1 ATOM 95 C CB . LEU A 1 13 ? 1.608 3.658 0.046 1.00 97.03 13 A 1 ATOM 96 C CG . LEU A 1 13 ? 2.788 4.501 -0.441 1.00 93.36 13 A 1 ATOM 97 C CD1 . LEU A 1 13 ? 2.326 5.908 -0.804 1.00 92.63 13 A 1 ATOM 98 C CD2 . LEU A 1 13 ? 3.861 4.569 0.632 1.00 93.08 13 A 1 ATOM 99 N N . THR A 1 14 ? 1.256 1.043 -1.692 1.00 97.25 14 A 1 ATOM 100 C CA . THR A 1 14 ? 1.813 0.007 -2.561 1.00 96.97 14 A 1 ATOM 101 C C . THR A 1 14 ? 0.998 -0.122 -3.847 1.00 97.38 14 A 1 ATOM 102 O O . THR A 1 14 ? 1.566 -0.208 -4.936 1.00 96.49 14 A 1 ATOM 103 C CB . THR A 1 14 ? 1.854 -1.342 -1.832 1.00 96.20 14 A 1 ATOM 104 O OG1 . THR A 1 14 ? 2.635 -1.226 -0.652 1.00 93.50 14 A 1 ATOM 105 C CG2 . THR A 1 14 ? 2.482 -2.428 -2.701 1.00 92.02 14 A 1 ATOM 106 N N . LEU A 1 15 ? -0.332 -0.104 -3.737 1.00 97.53 15 A 1 ATOM 107 C CA . LEU A 1 15 ? -1.209 -0.187 -4.902 1.00 97.34 15 A 1 ATOM 108 C C . LEU A 1 15 ? -1.033 1.018 -5.824 1.00 97.44 15 A 1 ATOM 109 O O . LEU A 1 15 ? -1.114 0.889 -7.046 1.00 96.69 15 A 1 ATOM 110 C CB . LEU A 1 15 ? -2.664 -0.283 -4.442 1.00 97.06 15 A 1 ATOM 111 C CG . LEU A 1 15 ? -3.067 -1.667 -3.927 1.00 95.71 15 A 1 ATOM 112 C CD1 . LEU A 1 15 ? -4.395 -1.591 -3.194 1.00 94.23 15 A 1 ATOM 113 C CD2 . LEU A 1 15 ? -3.167 -2.659 -5.079 1.00 94.24 15 A 1 ATOM 114 N N . LEU A 1 16 ? -0.787 2.182 -5.237 1.00 97.63 16 A 1 ATOM 115 C CA . LEU A 1 16 ? -0.611 3.414 -5.997 1.00 97.29 16 A 1 ATOM 116 C C . LEU A 1 16 ? 0.764 3.485 -6.657 1.00 97.30 16 A 1 ATOM 117 O O . LEU A 1 16 ? 0.898 3.972 -7.780 1.00 96.30 16 A 1 ATOM 118 C CB . LEU A 1 16 ? -0.839 4.608 -5.064 1.00 96.79 16 A 1 ATOM 119 C CG . LEU A 1 16 ? -1.149 5.921 -5.778 1.00 95.45 16 A 1 ATOM 120 C CD1 . LEU A 1 16 ? -2.096 6.765 -4.939 1.00 93.46 16 A 1 ATOM 121 C CD2 . LEU A 1 16 ? 0.117 6.702 -6.065 1.00 93.31 16 A 1 ATOM 122 N N . THR A 1 17 ? 1.790 3.010 -5.965 1.00 97.70 17 A 1 ATOM 123 C CA . THR A 1 17 ? 3.163 3.103 -6.464 1.00 97.41 17 A 1 ATOM 124 C C . THR A 1 17 ? 3.590 1.893 -7.287 1.00 97.27 17 A 1 ATOM 125 O O . THR A 1 17 ? 4.582 1.958 -8.013 1.00 95.82 17 A 1 ATOM 126 C CB . THR A 1 17 ? 4.139 3.323 -5.293 1.00 96.27 17 A 1 ATOM 127 O OG1 . THR A 1 17 ? 5.367 3.838 -5.788 1.00 92.22 17 A 1 ATOM 128 C CG2 . THR A 1 17 ? 4.426 2.032 -4.539 1.00 91.39 17 A 1 ATOM 129 N N . THR A 1 18 ? 2.843 0.791 -7.197 1.00 97.61 18 A 1 ATOM 130 C CA . THR A 1 18 ? 3.208 -0.441 -7.900 1.00 97.17 18 A 1 ATOM 131 C C . THR A 1 18 ? 2.123 -0.826 -8.913 1.00 97.03 18 A 1 ATOM 132 O O . THR A 1 18 ? 1.262 -1.660 -8.620 1.00 95.66 18 A 1 ATOM 133 C CB . THR A 1 18 ? 3.446 -1.596 -6.911 1.00 95.85 18 A 1 ATOM 134 O OG1 . THR A 1 18 ? 4.256 -1.148 -5.828 1.00 91.34 18 A 1 ATOM 135 C CG2 . THR A 1 18 ? 4.161 -2.762 -7.578 1.00 89.90 18 A 1 ATOM 136 N N . PRO A 1 19 ? 2.161 -0.244 -10.128 1.00 97.61 19 A 1 ATOM 137 C CA . PRO A 1 19 ? 1.164 -0.552 -11.163 1.00 97.00 19 A 1 ATOM 138 C C . PRO A 1 19 ? 1.239 -2.001 -11.636 1.00 96.89 19 A 1 ATOM 139 O O . PRO A 1 19 ? 0.260 -2.543 -12.142 1.00 94.63 19 A 1 ATOM 140 C CB . PRO A 1 19 ? 1.504 0.417 -12.298 1.00 95.65 19 A 1 ATOM 141 C CG . PRO A 1 19 ? 2.947 0.751 -12.094 1.00 94.02 19 A 1 ATOM 142 C CD . PRO A 1 19 ? 3.154 0.709 -10.595 1.00 96.15 19 A 1 ATOM 143 N N . ALA A 1 20 ? 2.404 -2.630 -11.483 1.00 95.57 20 A 1 ATOM 144 C CA . ALA A 1 20 ? 2.598 -4.025 -11.878 1.00 95.12 20 A 1 ATOM 145 C C . ALA A 1 20 ? 1.779 -4.981 -11.011 1.00 95.17 20 A 1 ATOM 146 O O . ALA A 1 20 ? 1.435 -6.081 -11.449 1.00 93.70 20 A 1 ATOM 147 C CB . ALA A 1 20 ? 4.085 -4.381 -11.803 1.00 93.56 20 A 1 ATOM 148 N N . LEU A 1 21 ? 1.477 -4.554 -9.794 1.00 93.71 21 A 1 ATOM 149 C CA . LEU A 1 21 ? 0.692 -5.354 -8.853 1.00 92.75 21 A 1 ATOM 150 C C . LEU A 1 21 ? -0.794 -5.008 -8.912 1.00 92.79 21 A 1 ATOM 151 O O . LEU A 1 21 ? -1.641 -5.834 -8.571 1.00 90.99 21 A 1 ATOM 152 C CB . LEU A 1 21 ? 1.232 -5.147 -7.437 1.00 90.35 21 A 1 ATOM 153 C CG . LEU A 1 21 ? 0.680 -6.101 -6.385 1.00 82.93 21 A 1 ATOM 154 C CD1 . LEU A 1 21 ? 1.177 -7.521 -6.611 1.00 77.75 21 A 1 ATOM 155 C CD2 . LEU A 1 21 ? 1.077 -5.632 -4.989 1.00 75.57 21 A 1 ATOM 156 N N . ALA A 1 22 ? -1.098 -3.793 -9.350 1.00 91.97 22 A 1 ATOM 157 C CA . ALA A 1 22 ? -2.470 -3.306 -9.409 1.00 90.55 22 A 1 ATOM 158 C C . ALA A 1 22 ? -3.312 -4.031 -10.458 1.00 87.72 22 A 1 ATOM 159 O O . ALA A 1 22 ? -2.762 -4.463 -11.489 1.00 84.79 22 A 1 ATOM 160 C CB . ALA A 1 22 ? -2.475 -1.807 -9.671 1.00 86.43 22 A 1 ATOM 161 O OXT . ALA A 1 22 ? -4.536 -4.150 -10.250 1.00 77.83 22 A 1 #