# 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_spkb34677 # _entry.id spkb34677 # 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 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" "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 LYS 2 1 n LYS 3 1 n THR 4 1 n VAL 5 1 n LYS 6 1 n ASN 7 1 n LEU 8 1 n THR 9 1 n ALA 10 1 n LEU 11 1 n LEU 12 1 n THR 13 1 n LEU 14 1 n ALA 15 1 n LEU 16 1 n ALA 17 1 n ALA 18 1 n PRO 19 1 n TRP 20 1 n ALA 21 1 n LEU 22 1 n ALA 23 # _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 @ 2025-07-02 21:35:30)" _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 93.21 _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 83.96 1 1 A LYS 2 2 87.08 1 2 A LYS 3 2 86.21 1 3 A THR 4 2 92.89 1 4 A VAL 5 2 95.19 1 5 A LYS 6 2 89.53 1 6 A ASN 7 2 93.87 1 7 A LEU 8 2 95.14 1 8 A THR 9 2 95.81 1 9 A ALA 10 2 97.84 1 10 A LEU 11 2 94.65 1 11 A LEU 12 2 95.04 1 12 A THR 13 2 96.79 1 13 A LEU 14 2 95.30 1 14 A ALA 15 2 97.78 1 15 A LEU 16 2 95.08 1 16 A ALA 17 2 97.85 1 17 A ALA 18 2 97.25 1 18 A PRO 19 2 96.73 1 19 A TRP 20 2 92.38 1 20 A ALA 21 2 97.17 1 21 A LEU 22 2 93.42 1 22 A ALA 23 2 87.91 1 23 # _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 LYS . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n ASN . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n PRO . 19 A 19 A 20 1 n TRP . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? -2.199 -14.354 -6.487 1.00 88.48 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.125 -14.677 -5.531 1.00 90.99 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.279 -13.873 -4.247 1.00 92.44 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.483 -12.665 -4.290 1.00 88.98 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.245 -14.374 -6.145 1.00 85.56 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.398 -14.781 -5.259 1.00 80.38 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.000 -14.344 -5.944 1.00 76.41 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.037 -15.362 -7.402 1.00 68.46 1 A 1 ATOM 9 N N . LYS A 1 2 ? -1.151 -14.535 -3.107 1.00 93.88 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -1.270 -13.866 -1.810 1.00 95.31 2 A 1 ATOM 11 C C . LYS A 1 2 ? -0.180 -12.807 -1.668 1.00 96.04 2 A 1 ATOM 12 O O . LYS A 1 2 ? -0.396 -11.764 -1.051 1.00 94.68 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -1.152 -14.865 -0.667 1.00 93.61 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -2.331 -15.829 -0.558 1.00 84.72 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -2.236 -16.932 -1.590 1.00 83.73 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -3.307 -17.980 -1.378 1.00 74.58 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -3.174 -19.088 -2.347 1.00 67.16 2 A 1 ATOM 18 N N . LYS A 1 3 ? 0.989 -13.091 -2.222 1.00 93.18 3 A 1 ATOM 19 C CA . LYS A 1 3 ? 2.109 -12.155 -2.173 1.00 94.79 3 A 1 ATOM 20 C C . LYS A 1 3 ? 1.718 -10.825 -2.807 1.00 96.08 3 A 1 ATOM 21 O O . LYS A 1 3 ? 2.023 -9.757 -2.273 1.00 94.66 3 A 1 ATOM 22 C CB . LYS A 1 3 ? 3.304 -12.753 -2.911 1.00 93.35 3 A 1 ATOM 23 C CG . LYS A 1 3 ? 4.524 -11.834 -2.969 1.00 84.66 3 A 1 ATOM 24 C CD . LYS A 1 3 ? 5.045 -11.504 -1.592 1.00 81.41 3 A 1 ATOM 25 C CE . LYS A 1 3 ? 6.431 -10.886 -1.655 1.00 72.36 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? 6.461 -9.706 -2.550 1.00 65.40 3 A 1 ATOM 27 N N . THR A 1 4 ? 1.049 -10.887 -3.946 1.00 95.09 4 A 1 ATOM 28 C CA . THR A 1 4 ? 0.618 -9.683 -4.647 1.00 95.34 4 A 1 ATOM 29 C C . THR A 1 4 ? -0.375 -8.897 -3.801 1.00 96.47 4 A 1 ATOM 30 O O . THR A 1 4 ? -0.284 -7.672 -3.695 1.00 95.96 4 A 1 ATOM 31 C CB . THR A 1 4 ? -0.030 -10.033 -5.987 1.00 94.73 4 A 1 ATOM 32 O OG1 . THR A 1 4 ? 0.879 -10.807 -6.770 1.00 87.58 4 A 1 ATOM 33 C CG2 . THR A 1 4 ? -0.389 -8.768 -6.747 1.00 85.06 4 A 1 ATOM 34 N N . VAL A 1 5 ? -1.307 -9.593 -3.195 1.00 95.57 5 A 1 ATOM 35 C CA . VAL A 1 5 ? -2.303 -8.955 -2.341 1.00 96.48 5 A 1 ATOM 36 C C . VAL A 1 5 ? -1.629 -8.246 -1.174 1.00 97.12 5 A 1 ATOM 37 O O . VAL A 1 5 ? -1.985 -7.117 -0.827 1.00 96.37 5 A 1 ATOM 38 C CB . VAL A 1 5 ? -3.307 -9.984 -1.806 1.00 95.71 5 A 1 ATOM 39 C CG1 . VAL A 1 5 ? -4.294 -9.327 -0.859 1.00 91.99 5 A 1 ATOM 40 C CG2 . VAL A 1 5 ? -4.040 -10.635 -2.965 1.00 93.10 5 A 1 ATOM 41 N N . LYS A 1 6 ? -0.660 -8.915 -0.579 1.00 96.13 6 A 1 ATOM 42 C CA . LYS A 1 6 ? 0.066 -8.341 0.551 1.00 96.46 6 A 1 ATOM 43 C C . LYS A 1 6 ? 0.799 -7.076 0.120 1.00 96.94 6 A 1 ATOM 44 O O . LYS A 1 6 ? 0.810 -6.079 0.836 1.00 96.81 6 A 1 ATOM 45 C CB . LYS A 1 6 ? 1.059 -9.359 1.105 1.00 96.44 6 A 1 ATOM 46 C CG . LYS A 1 6 ? 1.717 -8.912 2.396 1.00 89.61 6 A 1 ATOM 47 C CD . LYS A 1 6 ? 0.746 -8.954 3.555 1.00 85.80 6 A 1 ATOM 48 C CE . LYS A 1 6 ? 0.360 -10.369 3.913 1.00 77.94 6 A 1 ATOM 49 N NZ . LYS A 1 6 ? -0.514 -10.418 5.114 1.00 69.66 6 A 1 ATOM 50 N N . ASN A 1 7 ? 1.400 -7.129 -1.060 1.00 97.10 7 A 1 ATOM 51 C CA . ASN A 1 7 ? 2.137 -5.986 -1.587 1.00 97.18 7 A 1 ATOM 52 C C . ASN A 1 7 ? 1.202 -4.812 -1.845 1.00 97.69 7 A 1 ATOM 53 O O . ASN A 1 7 ? 1.491 -3.678 -1.456 1.00 97.53 7 A 1 ATOM 54 C CB . ASN A 1 7 ? 2.849 -6.366 -2.883 1.00 96.74 7 A 1 ATOM 55 C CG . ASN A 1 7 ? 3.688 -5.220 -3.407 1.00 92.53 7 A 1 ATOM 56 O OD1 . ASN A 1 7 ? 3.219 -4.401 -4.171 1.00 85.72 7 A 1 ATOM 57 N ND2 . ASN A 1 7 ? 4.935 -5.150 -2.994 1.00 86.47 7 A 1 ATOM 58 N N . LEU A 1 8 ? 0.076 -5.084 -2.481 1.00 97.70 8 A 1 ATOM 59 C CA . LEU A 1 8 ? -0.899 -4.043 -2.772 1.00 97.82 8 A 1 ATOM 60 C C . LEU A 1 8 ? -1.449 -3.440 -1.488 1.00 98.17 8 A 1 ATOM 61 O O . LEU A 1 8 ? -1.638 -2.226 -1.392 1.00 98.16 8 A 1 ATOM 62 C CB . LEU A 1 8 ? -2.042 -4.626 -3.596 1.00 97.95 8 A 1 ATOM 63 C CG . LEU A 1 8 ? -1.630 -5.060 -4.998 1.00 93.91 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? -2.776 -5.781 -5.681 1.00 87.83 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? -1.202 -3.855 -5.821 1.00 89.57 8 A 1 ATOM 66 N N . THR A 1 9 ? -1.694 -4.282 -0.508 1.00 97.77 9 A 1 ATOM 67 C CA . THR A 1 9 ? -2.204 -3.827 0.780 1.00 97.61 9 A 1 ATOM 68 C C . THR A 1 9 ? -1.199 -2.897 1.444 1.00 97.78 9 A 1 ATOM 69 O O . THR A 1 9 ? -1.573 -1.878 2.030 1.00 97.60 9 A 1 ATOM 70 C CB . THR A 1 9 ? -2.478 -5.013 1.706 1.00 97.43 9 A 1 ATOM 71 O OG1 . THR A 1 9 ? -3.431 -5.883 1.104 1.00 92.97 9 A 1 ATOM 72 C CG2 . THR A 1 9 ? -3.033 -4.530 3.038 1.00 89.54 9 A 1 ATOM 73 N N . ALA A 1 10 ? 0.077 -3.249 1.355 1.00 97.97 10 A 1 ATOM 74 C CA . ALA A 1 10 ? 1.133 -2.437 1.945 1.00 97.84 10 A 1 ATOM 75 C C . ALA A 1 10 ? 1.175 -1.059 1.292 1.00 98.08 10 A 1 ATOM 76 O O . ALA A 1 10 ? 1.313 -0.043 1.975 1.00 97.72 10 A 1 ATOM 77 C CB . ALA A 1 10 ? 2.479 -3.132 1.782 1.00 97.61 10 A 1 ATOM 78 N N . LEU A 1 11 ? 1.050 -1.029 -0.025 1.00 97.57 11 A 1 ATOM 79 C CA . LEU A 1 11 ? 1.072 0.232 -0.755 1.00 97.33 11 A 1 ATOM 80 C C . LEU A 1 11 ? -0.122 1.095 -0.370 1.00 97.74 11 A 1 ATOM 81 O O . LEU A 1 11 ? 0.010 2.306 -0.178 1.00 97.68 11 A 1 ATOM 82 C CB . LEU A 1 11 ? 1.054 -0.036 -2.259 1.00 97.31 11 A 1 ATOM 83 C CG . LEU A 1 11 ? 2.320 -0.701 -2.788 1.00 92.47 11 A 1 ATOM 84 C CD1 . LEU A 1 11 ? 2.142 -1.077 -4.252 1.00 88.07 11 A 1 ATOM 85 C CD2 . LEU A 1 11 ? 3.518 0.226 -2.629 1.00 89.03 11 A 1 ATOM 86 N N . LEU A 1 12 ? -1.273 0.476 -0.259 1.00 97.71 12 A 1 ATOM 87 C CA . LEU A 1 12 ? -2.483 1.193 0.128 1.00 97.41 12 A 1 ATOM 88 C C . LEU A 1 12 ? -2.334 1.763 1.528 1.00 97.84 12 A 1 ATOM 89 O O . LEU A 1 12 ? -2.729 2.901 1.794 1.00 97.84 12 A 1 ATOM 90 C CB . LEU A 1 12 ? -3.684 0.254 0.077 1.00 97.32 12 A 1 ATOM 91 C CG . LEU A 1 12 ? -5.005 0.932 0.439 1.00 93.04 12 A 1 ATOM 92 C CD1 . LEU A 1 12 ? -5.327 2.040 -0.551 1.00 88.77 12 A 1 ATOM 93 C CD2 . LEU A 1 12 ? -6.127 -0.088 0.471 1.00 90.39 12 A 1 ATOM 94 N N . THR A 1 13 ? -1.774 0.976 2.422 1.00 98.07 13 A 1 ATOM 95 C CA . THR A 1 13 ? -1.564 1.406 3.801 1.00 97.92 13 A 1 ATOM 96 C C . THR A 1 13 ? -0.638 2.615 3.840 1.00 98.07 13 A 1 ATOM 97 O O . THR A 1 13 ? -0.883 3.572 4.580 1.00 97.70 13 A 1 ATOM 98 C CB . THR A 1 13 ? -0.955 0.279 4.638 1.00 97.63 13 A 1 ATOM 99 O OG1 . THR A 1 13 ? -1.816 -0.855 4.611 1.00 95.12 13 A 1 ATOM 100 C CG2 . THR A 1 13 ? -0.772 0.725 6.080 1.00 93.05 13 A 1 ATOM 101 N N . LEU A 1 14 ? 0.418 2.579 3.044 1.00 97.99 14 A 1 ATOM 102 C CA . LEU A 1 14 ? 1.369 3.679 2.993 1.00 97.55 14 A 1 ATOM 103 C C . LEU A 1 14 ? 0.702 4.936 2.457 1.00 97.73 14 A 1 ATOM 104 O O . LEU A 1 14 ? 0.956 6.040 2.947 1.00 97.18 14 A 1 ATOM 105 C CB . LEU A 1 14 ? 2.548 3.304 2.099 1.00 97.23 14 A 1 ATOM 106 C CG . LEU A 1 14 ? 3.461 2.235 2.695 1.00 93.65 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? 4.470 1.775 1.658 1.00 90.05 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? 4.172 2.770 3.927 1.00 90.98 14 A 1 ATOM 109 N N . ALA A 1 15 ? -0.143 4.778 1.464 1.00 98.07 15 A 1 ATOM 110 C CA . ALA A 1 15 ? -0.853 5.905 0.874 1.00 97.84 15 A 1 ATOM 111 C C . ALA A 1 15 ? -1.718 6.607 1.915 1.00 98.01 15 A 1 ATOM 112 O O . ALA A 1 15 ? -1.838 7.833 1.911 1.00 97.43 15 A 1 ATOM 113 C CB . ALA A 1 15 ? -1.713 5.427 -0.288 1.00 97.56 15 A 1 ATOM 114 N N . LEU A 1 16 ? -2.314 5.836 2.806 1.00 97.79 16 A 1 ATOM 115 C CA . LEU A 1 16 ? -3.162 6.388 3.856 1.00 97.36 16 A 1 ATOM 116 C C . LEU A 1 16 ? -2.326 6.883 5.028 1.00 97.54 16 A 1 ATOM 117 O O . LEU A 1 16 ? -2.660 7.892 5.658 1.00 96.88 16 A 1 ATOM 118 C CB . LEU A 1 16 ? -4.144 5.318 4.336 1.00 96.92 16 A 1 ATOM 119 C CG . LEU A 1 16 ? -5.107 4.829 3.256 1.00 94.11 16 A 1 ATOM 120 C CD1 . LEU A 1 16 ? -5.938 3.669 3.783 1.00 89.70 16 A 1 ATOM 121 C CD2 . LEU A 1 16 ? -6.009 5.961 2.796 1.00 90.35 16 A 1 ATOM 122 N N . ALA A 1 17 ? -1.250 6.175 5.325 1.00 98.19 17 A 1 ATOM 123 C CA . ALA A 1 17 ? -0.376 6.533 6.438 1.00 98.04 17 A 1 ATOM 124 C C . ALA A 1 17 ? 0.400 7.815 6.162 1.00 98.14 17 A 1 ATOM 125 O O . ALA A 1 17 ? 0.719 8.564 7.088 1.00 97.37 17 A 1 ATOM 126 C CB . ALA A 1 17 ? 0.599 5.393 6.724 1.00 97.50 17 A 1 ATOM 127 N N . ALA A 1 18 ? 0.709 8.080 4.898 1.00 97.80 18 A 1 ATOM 128 C CA . ALA A 1 18 ? 1.467 9.273 4.526 1.00 97.39 18 A 1 ATOM 129 C C . ALA A 1 18 ? 0.801 10.552 5.051 1.00 97.66 18 A 1 ATOM 130 O O . ALA A 1 18 ? 1.442 11.341 5.755 1.00 96.83 18 A 1 ATOM 131 C CB . ALA A 1 18 ? 1.663 9.328 3.015 1.00 96.56 18 A 1 ATOM 132 N N . PRO A 1 19 ? -0.468 10.784 4.728 1.00 97.70 19 A 1 ATOM 133 C CA . PRO A 1 19 ? -1.175 11.972 5.234 1.00 97.32 19 A 1 ATOM 134 C C . PRO A 1 19 ? -1.237 11.984 6.754 1.00 97.54 19 A 1 ATOM 135 O O . PRO A 1 19 ? -1.153 13.046 7.375 1.00 96.48 19 A 1 ATOM 136 C CB . PRO A 1 19 ? -2.579 11.835 4.640 1.00 96.24 19 A 1 ATOM 137 C CG . PRO A 1 19 ? -2.395 10.978 3.439 1.00 95.00 19 A 1 ATOM 138 C CD . PRO A 1 19 ? -1.275 10.029 3.792 1.00 96.83 19 A 1 ATOM 139 N N . TRP A 1 20 ? -1.394 10.815 7.350 1.00 96.85 20 A 1 ATOM 140 C CA . TRP A 1 20 ? -1.463 10.700 8.806 1.00 96.56 20 A 1 ATOM 141 C C . TRP A 1 20 ? -0.173 11.204 9.437 1.00 97.07 20 A 1 ATOM 142 O O . TRP A 1 20 ? -0.198 11.908 10.447 1.00 96.21 20 A 1 ATOM 143 C CB . TRP A 1 20 ? -1.703 9.243 9.211 1.00 95.78 20 A 1 ATOM 144 C CG . TRP A 1 20 ? -3.153 8.872 9.211 1.00 94.08 20 A 1 ATOM 145 C CD1 . TRP A 1 20 ? -3.970 8.784 8.135 1.00 90.60 20 A 1 ATOM 146 C CD2 . TRP A 1 20 ? -3.966 8.553 10.357 1.00 92.84 20 A 1 ATOM 147 N NE1 . TRP A 1 20 ? -5.240 8.434 8.530 1.00 90.56 20 A 1 ATOM 148 C CE2 . TRP A 1 20 ? -5.271 8.282 9.893 1.00 91.79 20 A 1 ATOM 149 C CE3 . TRP A 1 20 ? -3.715 8.476 11.733 1.00 89.37 20 A 1 ATOM 150 C CZ2 . TRP A 1 20 ? -6.310 7.936 10.751 1.00 89.69 20 A 1 ATOM 151 C CZ3 . TRP A 1 20 ? -4.750 8.132 12.588 1.00 85.59 20 A 1 ATOM 152 C CH2 . TRP A 1 20 ? -6.037 7.867 12.102 1.00 86.28 20 A 1 ATOM 153 N N . ALA A 1 21 ? 0.960 10.855 8.833 1.00 97.38 21 A 1 ATOM 154 C CA . ALA A 1 21 ? 2.258 11.284 9.337 1.00 97.28 21 A 1 ATOM 155 C C . ALA A 1 21 ? 2.417 12.796 9.214 1.00 97.60 21 A 1 ATOM 156 O O . ALA A 1 21 ? 2.989 13.443 10.095 1.00 96.85 21 A 1 ATOM 157 C CB . ALA A 1 21 ? 3.374 10.577 8.576 1.00 96.76 21 A 1 ATOM 158 N N . LEU A 1 22 ? 1.921 13.361 8.124 1.00 96.94 22 A 1 ATOM 159 C CA . LEU A 1 22 ? 2.006 14.796 7.891 1.00 96.40 22 A 1 ATOM 160 C C . LEU A 1 22 ? 1.151 15.565 8.886 1.00 96.41 22 A 1 ATOM 161 O O . LEU A 1 22 ? 1.547 16.628 9.371 1.00 95.59 22 A 1 ATOM 162 C CB . LEU A 1 22 ? 1.569 15.127 6.456 1.00 96.06 22 A 1 ATOM 163 C CG . LEU A 1 22 ? 2.713 15.224 5.448 1.00 92.54 22 A 1 ATOM 164 C CD1 . LEU A 1 22 ? 3.582 16.417 5.779 1.00 86.92 22 A 1 ATOM 165 C CD2 . LEU A 1 22 ? 3.534 13.947 5.465 1.00 86.52 22 A 1 ATOM 166 N N . ALA A 1 23 ? -0.019 15.041 9.182 1.00 93.35 23 A 1 ATOM 167 C CA . ALA A 1 23 ? -0.950 15.666 10.115 1.00 91.15 23 A 1 ATOM 168 C C . ALA A 1 23 ? -0.291 15.857 11.483 1.00 88.85 23 A 1 ATOM 169 O O . ALA A 1 23 ? -0.400 16.959 12.051 1.00 85.57 23 A 1 ATOM 170 C CB . ALA A 1 23 ? -2.209 14.814 10.239 1.00 87.77 23 A 1 ATOM 171 O OXT . ALA A 1 23 ? 0.329 14.912 11.991 1.00 80.78 23 A 1 #