# 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_spkb44283 # _entry.id spkb44283 # 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" "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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 TRP 3 1 n ARG 4 1 n ARG 5 1 n ILE 6 1 n VAL 7 1 n TRP 8 1 n LEU 9 1 n LEU 10 1 n ALA 11 1 n LEU 12 1 n VAL 13 1 n THR 14 1 n LEU 15 1 n PRO 16 1 n THR 17 1 n LEU 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 @ 2025-07-05 18:35:48)" _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 93.40 _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 84.52 1 1 A ASN 2 2 92.28 1 2 A TRP 3 2 92.43 1 3 A ARG 4 2 88.84 1 4 A ARG 5 2 89.22 1 5 A ILE 6 2 95.83 1 6 A VAL 7 2 97.32 1 7 A TRP 8 2 93.92 1 8 A LEU 9 2 96.06 1 9 A LEU 10 2 96.14 1 10 A ALA 11 2 97.97 1 11 A LEU 12 2 96.14 1 12 A VAL 13 2 96.34 1 13 A THR 14 2 95.52 1 14 A LEU 15 2 94.69 1 15 A PRO 16 2 96.81 1 16 A THR 17 2 93.83 1 17 A LEU 18 2 92.29 1 18 A ALA 19 2 90.84 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 TRP . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n TRP . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n LEU . 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 ? 13.737 -3.673 3.248 1.00 92.74 1 A 1 ATOM 2 C CA . MET A 1 1 ? 12.325 -3.586 3.663 1.00 92.50 1 A 1 ATOM 3 C C . MET A 1 1 ? 11.387 -3.652 2.464 1.00 93.83 1 A 1 ATOM 4 O O . MET A 1 1 ? 11.709 -3.146 1.393 1.00 90.17 1 A 1 ATOM 5 C CB . MET A 1 1 ? 12.086 -2.282 4.403 1.00 87.53 1 A 1 ATOM 6 C CG . MET A 1 1 ? 12.376 -2.402 5.886 1.00 79.10 1 A 1 ATOM 7 S SD . MET A 1 1 ? 12.221 -0.829 6.720 1.00 74.66 1 A 1 ATOM 8 C CE . MET A 1 1 ? 12.161 -1.379 8.418 1.00 65.66 1 A 1 ATOM 9 N N . ASN A 1 2 ? 10.236 -4.259 2.646 1.00 95.96 2 A 1 ATOM 10 C CA . ASN A 1 2 ? 9.256 -4.385 1.574 1.00 96.41 2 A 1 ATOM 11 C C . ASN A 1 2 ? 8.468 -3.092 1.412 1.00 97.01 2 A 1 ATOM 12 O O . ASN A 1 2 ? 7.531 -2.824 2.161 1.00 96.15 2 A 1 ATOM 13 C CB . ASN A 1 2 ? 8.310 -5.536 1.874 1.00 94.70 2 A 1 ATOM 14 C CG . ASN A 1 2 ? 9.002 -6.876 1.799 1.00 89.67 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? 10.001 -7.033 1.112 1.00 84.79 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? 8.474 -7.858 2.506 1.00 83.57 2 A 1 ATOM 17 N N . TRP A 1 3 ? 8.857 -2.303 0.440 1.00 97.43 3 A 1 ATOM 18 C CA . TRP A 1 3 ? 8.199 -1.025 0.183 1.00 97.46 3 A 1 ATOM 19 C C . TRP A 1 3 ? 6.858 -1.229 -0.526 1.00 97.67 3 A 1 ATOM 20 O O . TRP A 1 3 ? 5.912 -0.480 -0.314 1.00 96.97 3 A 1 ATOM 21 C CB . TRP A 1 3 ? 9.126 -0.137 -0.645 1.00 96.51 3 A 1 ATOM 22 C CG . TRP A 1 3 ? 8.622 0.157 -2.012 1.00 93.69 3 A 1 ATOM 23 C CD1 . TRP A 1 3 ? 8.864 -0.546 -3.145 1.00 90.87 3 A 1 ATOM 24 C CD2 . TRP A 1 3 ? 7.755 1.246 -2.391 1.00 92.61 3 A 1 ATOM 25 N NE1 . TRP A 1 3 ? 8.213 0.035 -4.210 1.00 89.32 3 A 1 ATOM 26 C CE2 . TRP A 1 3 ? 7.528 1.137 -3.770 1.00 91.85 3 A 1 ATOM 27 C CE3 . TRP A 1 3 ? 7.168 2.294 -1.681 1.00 88.62 3 A 1 ATOM 28 C CZ2 . TRP A 1 3 ? 6.729 2.048 -4.457 1.00 88.72 3 A 1 ATOM 29 C CZ3 . TRP A 1 3 ? 6.372 3.200 -2.365 1.00 86.64 3 A 1 ATOM 30 C CH2 . TRP A 1 3 ? 6.161 3.073 -3.736 1.00 85.60 3 A 1 ATOM 31 N N . ARG A 1 4 ? 6.784 -2.253 -1.362 1.00 98.01 4 A 1 ATOM 32 C CA . ARG A 1 4 ? 5.554 -2.542 -2.098 1.00 97.94 4 A 1 ATOM 33 C C . ARG A 1 4 ? 4.408 -2.893 -1.154 1.00 98.04 4 A 1 ATOM 34 O O . ARG A 1 4 ? 3.253 -2.585 -1.426 1.00 97.52 4 A 1 ATOM 35 C CB . ARG A 1 4 ? 5.798 -3.684 -3.080 1.00 97.27 4 A 1 ATOM 36 C CG . ARG A 1 4 ? 4.737 -3.758 -4.155 1.00 91.61 4 A 1 ATOM 37 C CD . ARG A 1 4 ? 5.248 -4.448 -5.403 1.00 89.13 4 A 1 ATOM 38 N NE . ARG A 1 4 ? 5.923 -3.521 -6.318 1.00 82.02 4 A 1 ATOM 39 C CZ . ARG A 1 4 ? 5.296 -2.607 -7.043 1.00 79.50 4 A 1 ATOM 40 N NH1 . ARG A 1 4 ? 3.991 -2.443 -6.960 1.00 73.62 4 A 1 ATOM 41 N NH2 . ARG A 1 4 ? 5.993 -1.828 -7.850 1.00 72.56 4 A 1 ATOM 42 N N . ARG A 1 5 ? 4.731 -3.517 -0.047 1.00 97.83 5 A 1 ATOM 43 C CA . ARG A 1 5 ? 3.719 -3.896 0.946 1.00 97.94 5 A 1 ATOM 44 C C . ARG A 1 5 ? 3.103 -2.659 1.591 1.00 98.10 5 A 1 ATOM 45 O O . ARG A 1 5 ? 1.907 -2.626 1.867 1.00 97.63 5 A 1 ATOM 46 C CB . ARG A 1 5 ? 4.364 -4.774 2.024 1.00 97.45 5 A 1 ATOM 47 C CG . ARG A 1 5 ? 4.348 -6.233 1.652 1.00 91.33 5 A 1 ATOM 48 C CD . ARG A 1 5 ? 3.673 -7.052 2.747 1.00 88.71 5 A 1 ATOM 49 N NE . ARG A 1 5 ? 2.638 -7.911 2.199 1.00 83.53 5 A 1 ATOM 50 C CZ . ARG A 1 5 ? 2.388 -9.150 2.619 1.00 80.49 5 A 1 ATOM 51 N NH1 . ARG A 1 5 ? 3.094 -9.679 3.595 1.00 75.20 5 A 1 ATOM 52 N NH2 . ARG A 1 5 ? 1.433 -9.870 2.044 1.00 73.18 5 A 1 ATOM 53 N N . ILE A 1 6 ? 3.917 -1.653 1.812 1.00 97.73 6 A 1 ATOM 54 C CA . ILE A 1 6 ? 3.454 -0.411 2.419 1.00 97.63 6 A 1 ATOM 55 C C . ILE A 1 6 ? 2.465 0.301 1.499 1.00 97.87 6 A 1 ATOM 56 O O . ILE A 1 6 ? 1.439 0.820 1.947 1.00 97.61 6 A 1 ATOM 57 C CB . ILE A 1 6 ? 4.646 0.508 2.734 1.00 97.29 6 A 1 ATOM 58 C CG1 . ILE A 1 6 ? 5.632 -0.181 3.677 1.00 95.01 6 A 1 ATOM 59 C CG2 . ILE A 1 6 ? 4.151 1.806 3.365 1.00 94.92 6 A 1 ATOM 60 C CD1 . ILE A 1 6 ? 7.047 0.321 3.514 1.00 88.57 6 A 1 ATOM 61 N N . VAL A 1 7 ? 2.785 0.326 0.232 1.00 97.86 7 A 1 ATOM 62 C CA . VAL A 1 7 ? 1.923 0.966 -0.762 1.00 97.84 7 A 1 ATOM 63 C C . VAL A 1 7 ? 0.586 0.243 -0.859 1.00 97.98 7 A 1 ATOM 64 O O . VAL A 1 7 ? -0.465 0.864 -1.029 1.00 97.86 7 A 1 ATOM 65 C CB . VAL A 1 7 ? 2.598 0.981 -2.141 1.00 97.50 7 A 1 ATOM 66 C CG1 . VAL A 1 7 ? 1.732 1.696 -3.168 1.00 96.27 7 A 1 ATOM 67 C CG2 . VAL A 1 7 ? 3.950 1.645 -2.051 1.00 95.95 7 A 1 ATOM 68 N N . TRP A 1 8 ? 0.649 -1.064 -0.746 1.00 97.45 8 A 1 ATOM 69 C CA . TRP A 1 8 ? -0.555 -1.884 -0.823 1.00 97.49 8 A 1 ATOM 70 C C . TRP A 1 8 ? -1.534 -1.506 0.277 1.00 97.68 8 A 1 ATOM 71 O O . TRP A 1 8 ? -2.733 -1.372 0.039 1.00 97.36 8 A 1 ATOM 72 C CB . TRP A 1 8 ? -0.176 -3.358 -0.710 1.00 97.30 8 A 1 ATOM 73 C CG . TRP A 1 8 ? -0.232 -4.072 -2.022 1.00 95.62 8 A 1 ATOM 74 C CD1 . TRP A 1 8 ? 0.509 -3.804 -3.128 1.00 91.33 8 A 1 ATOM 75 C CD2 . TRP A 1 8 ? -1.086 -5.181 -2.375 1.00 94.16 8 A 1 ATOM 76 N NE1 . TRP A 1 8 ? 0.173 -4.666 -4.149 1.00 91.03 8 A 1 ATOM 77 C CE2 . TRP A 1 8 ? -0.807 -5.529 -3.713 1.00 93.92 8 A 1 ATOM 78 C CE3 . TRP A 1 8 ? -2.061 -5.904 -1.691 1.00 91.68 8 A 1 ATOM 79 C CZ2 . TRP A 1 8 ? -1.464 -6.567 -4.365 1.00 92.35 8 A 1 ATOM 80 C CZ3 . TRP A 1 8 ? -2.716 -6.939 -2.338 1.00 88.48 8 A 1 ATOM 81 C CH2 . TRP A 1 8 ? -2.419 -7.260 -3.665 1.00 89.01 8 A 1 ATOM 82 N N . LEU A 1 9 ? -1.022 -1.312 1.464 1.00 97.49 9 A 1 ATOM 83 C CA . LEU A 1 9 ? -1.854 -0.941 2.604 1.00 97.45 9 A 1 ATOM 84 C C . LEU A 1 9 ? -2.417 0.467 2.438 1.00 97.66 9 A 1 ATOM 85 O O . LEU A 1 9 ? -3.568 0.729 2.786 1.00 97.63 9 A 1 ATOM 86 C CB . LEU A 1 9 ? -1.024 -1.027 3.885 1.00 97.44 9 A 1 ATOM 87 C CG . LEU A 1 9 ? -0.656 -2.451 4.289 1.00 95.46 9 A 1 ATOM 88 C CD1 . LEU A 1 9 ? 0.669 -2.476 5.040 1.00 92.62 9 A 1 ATOM 89 C CD2 . LEU A 1 9 ? -1.754 -3.052 5.153 1.00 92.76 9 A 1 ATOM 90 N N . LEU A 1 10 ? -1.615 1.357 1.926 1.00 97.73 10 A 1 ATOM 91 C CA . LEU A 1 10 ? -2.033 2.739 1.709 1.00 97.71 10 A 1 ATOM 92 C C . LEU A 1 10 ? -3.170 2.816 0.701 1.00 97.90 10 A 1 ATOM 93 O O . LEU A 1 10 ? -4.183 3.474 0.939 1.00 97.87 10 A 1 ATOM 94 C CB . LEU A 1 10 ? -0.851 3.569 1.210 1.00 97.56 10 A 1 ATOM 95 C CG . LEU A 1 10 ? -0.947 5.042 1.579 1.00 94.70 10 A 1 ATOM 96 C CD1 . LEU A 1 10 ? -0.337 5.288 2.950 1.00 92.51 10 A 1 ATOM 97 C CD2 . LEU A 1 10 ? -0.257 5.901 0.539 1.00 93.15 10 A 1 ATOM 98 N N . ALA A 1 11 ? -2.999 2.158 -0.417 1.00 98.10 11 A 1 ATOM 99 C CA . ALA A 1 11 ? -4.012 2.144 -1.469 1.00 98.08 11 A 1 ATOM 100 C C . ALA A 1 11 ? -5.274 1.418 -1.009 1.00 98.17 11 A 1 ATOM 101 O O . ALA A 1 11 ? -6.379 1.752 -1.430 1.00 97.71 11 A 1 ATOM 102 C CB . ALA A 1 11 ? -3.443 1.475 -2.713 1.00 97.77 11 A 1 ATOM 103 N N . LEU A 1 12 ? -5.099 0.447 -0.147 1.00 97.86 12 A 1 ATOM 104 C CA . LEU A 1 12 ? -6.217 -0.332 0.370 1.00 97.73 12 A 1 ATOM 105 C C . LEU A 1 12 ? -7.084 0.508 1.299 1.00 97.92 12 A 1 ATOM 106 O O . LEU A 1 12 ? -8.298 0.328 1.356 1.00 97.49 12 A 1 ATOM 107 C CB . LEU A 1 12 ? -5.694 -1.562 1.114 1.00 97.37 12 A 1 ATOM 108 C CG . LEU A 1 12 ? -6.540 -2.810 0.903 1.00 95.59 12 A 1 ATOM 109 C CD1 . LEU A 1 12 ? -6.077 -3.575 -0.325 1.00 92.65 12 A 1 ATOM 110 C CD2 . LEU A 1 12 ? -6.485 -3.697 2.130 1.00 92.55 12 A 1 ATOM 111 N N . VAL A 1 13 ? -6.476 1.414 2.015 1.00 97.82 13 A 1 ATOM 112 C CA . VAL A 1 13 ? -7.195 2.271 2.952 1.00 97.62 13 A 1 ATOM 113 C C . VAL A 1 13 ? -7.949 3.381 2.229 1.00 97.93 13 A 1 ATOM 114 O O . VAL A 1 13 ? -9.056 3.754 2.624 1.00 97.34 13 A 1 ATOM 115 C CB . VAL A 1 13 ? -6.216 2.877 3.971 1.00 96.73 13 A 1 ATOM 116 C CG1 . VAL A 1 13 ? -6.912 3.886 4.858 1.00 93.54 13 A 1 ATOM 117 C CG2 . VAL A 1 13 ? -5.587 1.781 4.808 1.00 93.41 13 A 1 ATOM 118 N N . THR A 1 14 ? -7.372 3.906 1.189 1.00 97.88 14 A 1 ATOM 119 C CA . THR A 1 14 ? -7.974 5.006 0.444 1.00 97.68 14 A 1 ATOM 120 C C . THR A 1 14 ? -9.230 4.575 -0.304 1.00 97.81 14 A 1 ATOM 121 O O . THR A 1 14 ? -10.149 5.372 -0.492 1.00 96.68 14 A 1 ATOM 122 C CB . THR A 1 14 ? -6.971 5.588 -0.558 1.00 96.73 14 A 1 ATOM 123 O OG1 . THR A 1 14 ? -6.387 4.547 -1.318 1.00 91.42 14 A 1 ATOM 124 C CG2 . THR A 1 14 ? -5.878 6.358 0.151 1.00 90.43 14 A 1 ATOM 125 N N . LEU A 1 15 ? -9.270 3.337 -0.722 1.00 97.73 15 A 1 ATOM 126 C CA . LEU A 1 15 ? -10.413 2.832 -1.479 1.00 97.43 15 A 1 ATOM 127 C C . LEU A 1 15 ? -11.616 2.495 -0.596 1.00 97.53 15 A 1 ATOM 128 O O . LEU A 1 15 ? -12.680 3.098 -0.754 1.00 96.34 15 A 1 ATOM 129 C CB . LEU A 1 15 ? -9.970 1.625 -2.312 1.00 96.67 15 A 1 ATOM 130 C CG . LEU A 1 15 ? -11.070 0.956 -3.123 1.00 93.59 15 A 1 ATOM 131 C CD1 . LEU A 1 15 ? -11.598 1.907 -4.193 1.00 89.36 15 A 1 ATOM 132 C CD2 . LEU A 1 15 ? -10.552 -0.313 -3.761 1.00 88.84 15 A 1 ATOM 133 N N . PRO A 1 16 ? -11.479 1.535 0.312 1.00 97.87 16 A 1 ATOM 134 C CA . PRO A 1 16 ? -12.600 1.135 1.169 1.00 97.49 16 A 1 ATOM 135 C C . PRO A 1 16 ? -12.939 2.147 2.250 1.00 97.62 16 A 1 ATOM 136 O O . PRO A 1 16 ? -14.078 2.211 2.705 1.00 96.29 16 A 1 ATOM 137 C CB . PRO A 1 16 ? -12.110 -0.175 1.794 1.00 96.41 16 A 1 ATOM 138 C CG . PRO A 1 16 ? -10.632 -0.062 1.794 1.00 94.90 16 A 1 ATOM 139 C CD . PRO A 1 16 ? -10.269 0.772 0.589 1.00 97.09 16 A 1 ATOM 140 N N . THR A 1 17 ? -11.981 2.934 2.657 1.00 97.14 17 A 1 ATOM 141 C CA . THR A 1 17 ? -12.192 3.916 3.716 1.00 96.52 17 A 1 ATOM 142 C C . THR A 1 17 ? -12.822 5.195 3.176 1.00 96.43 17 A 1 ATOM 143 O O . THR A 1 17 ? -13.789 5.708 3.740 1.00 93.96 17 A 1 ATOM 144 C CB . THR A 1 17 ? -10.868 4.254 4.409 1.00 95.25 17 A 1 ATOM 145 O OG1 . THR A 1 17 ? -10.156 3.052 4.683 1.00 90.02 17 A 1 ATOM 146 C CG2 . THR A 1 17 ? -11.111 4.989 5.708 1.00 87.46 17 A 1 ATOM 147 N N . LEU A 1 18 ? -12.284 5.706 2.087 1.00 96.57 18 A 1 ATOM 148 C CA . LEU A 1 18 ? -12.774 6.937 1.476 1.00 95.76 18 A 1 ATOM 149 C C . LEU A 1 18 ? -13.525 6.663 0.182 1.00 95.80 18 A 1 ATOM 150 O O . LEU A 1 18 ? -13.565 7.507 -0.717 1.00 93.24 18 A 1 ATOM 151 C CB . LEU A 1 18 ? -11.598 7.879 1.219 1.00 94.58 18 A 1 ATOM 152 C CG . LEU A 1 18 ? -10.990 8.447 2.493 1.00 91.69 18 A 1 ATOM 153 C CD1 . LEU A 1 18 ? -9.493 8.580 2.372 1.00 86.06 18 A 1 ATOM 154 C CD2 . LEU A 1 18 ? -11.621 9.803 2.789 1.00 84.59 18 A 1 ATOM 155 N N . ALA A 1 19 ? -14.129 5.496 0.096 1.00 95.86 19 A 1 ATOM 156 C CA . ALA A 1 19 ? -14.859 5.112 -1.100 1.00 94.32 19 A 1 ATOM 157 C C . ALA A 1 19 ? -16.270 5.699 -1.093 1.00 92.28 19 A 1 ATOM 158 O O . ALA A 1 19 ? -16.886 5.779 -0.024 1.00 87.77 19 A 1 ATOM 159 C CB . ALA A 1 19 ? -14.900 3.603 -1.227 1.00 91.77 19 A 1 ATOM 160 O OXT . ALA A 1 19 ? -16.772 6.032 -2.160 1.00 83.05 19 A 1 #