# 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_acriia20 # _entry.id acriia20 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)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 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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 LYS 2 1 n ASN 3 1 n TYR 4 1 n GLU 5 1 n VAL 6 1 n THR 7 1 n ASN 8 1 n GLU 9 1 n VAL 10 1 n LYS 11 1 n ASN 12 1 n LEU 13 1 n ASN 14 1 n THR 15 1 n GLN 16 1 n VAL 17 1 n GLU 18 1 n THR 19 1 n ILE 20 1 n GLY 21 1 n GLN 22 1 n ALA 23 1 n VAL 24 1 n ASP 25 1 n LEU 26 1 n TYR 27 1 n LYS 28 1 n GLU 29 1 n TYR 30 1 n GLY 31 1 n SER 32 1 n ASN 33 1 n THR 34 1 n ILE 35 1 n VAL 36 1 n TRP 37 1 n SER 38 1 n ILE 39 1 n ASP 40 1 n LYS 41 1 n ASN 42 1 n GLU 43 1 n ASP 44 1 n LEU 45 1 n ILE 46 1 n ASP 47 1 n GLU 48 1 n VAL 49 1 n THR 50 1 n GLU 51 1 n LEU 52 1 n VAL 53 1 n ALA 54 1 n GLU 55 1 n TYR 56 1 n ALA 57 1 n GLU 58 1 n LYS 59 1 n GLY 60 1 n THR 61 1 n VAL 62 1 n ILE 63 1 n LYS 64 # _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 (3.0.1 @ 2025-04-06 19:47:44)" _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 47.08 _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 37.33 1 1 A LYS 2 2 34.43 1 2 A ASN 3 2 33.06 1 3 A TYR 4 2 28.69 1 4 A GLU 5 2 31.76 1 5 A VAL 6 2 30.77 1 6 A THR 7 2 31.87 1 7 A ASN 8 2 34.10 1 8 A GLU 9 2 36.53 1 9 A VAL 10 2 36.20 1 10 A LYS 11 2 36.55 1 11 A ASN 12 2 40.72 1 12 A LEU 13 2 36.86 1 13 A ASN 14 2 37.28 1 14 A THR 15 2 40.63 1 15 A GLN 16 2 44.38 1 16 A VAL 17 2 42.48 1 17 A GLU 18 2 48.16 1 18 A THR 19 2 53.64 1 19 A ILE 20 2 55.54 1 20 A GLY 21 2 60.78 1 21 A GLN 22 2 58.80 1 22 A ALA 23 2 59.71 1 23 A VAL 24 2 59.16 1 24 A ASP 25 2 60.39 1 25 A LEU 26 2 56.44 1 26 A TYR 27 2 52.37 1 27 A LYS 28 2 54.99 1 28 A GLU 29 2 55.16 1 29 A TYR 30 2 48.53 1 30 A GLY 31 2 52.88 1 31 A SER 32 2 47.22 1 32 A ASN 33 2 41.85 1 33 A THR 34 2 37.75 1 34 A ILE 35 2 40.74 1 35 A VAL 36 2 35.94 1 36 A TRP 37 2 33.47 1 37 A SER 38 2 42.60 1 38 A ILE 39 2 42.11 1 39 A ASP 40 2 41.32 1 40 A LYS 41 2 41.28 1 41 A ASN 42 2 50.50 1 42 A GLU 43 2 53.55 1 43 A ASP 44 2 59.28 1 44 A LEU 45 2 55.79 1 45 A ILE 46 2 53.39 1 46 A ASP 47 2 62.36 1 47 A GLU 48 2 61.28 1 48 A VAL 49 2 60.31 1 49 A THR 50 2 59.88 1 50 A GLU 51 2 64.75 1 51 A LEU 52 2 63.32 1 52 A VAL 53 2 60.87 1 53 A ALA 54 2 62.72 1 54 A GLU 55 2 62.55 1 55 A TYR 56 2 54.50 1 56 A ALA 57 2 57.90 1 57 A GLU 58 2 53.86 1 58 A LYS 59 2 58.94 1 59 A GLY 60 2 54.47 1 60 A THR 61 2 41.55 1 61 A VAL 62 2 34.97 1 62 A ILE 63 2 33.48 1 63 A LYS 64 2 31.72 1 64 # _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 ASN . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ASN . 8 A 8 A 9 1 n GLU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n LYS . 11 A 11 A 12 1 n ASN . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n ILE . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n GLN . 22 A 22 A 23 1 n ALA . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n ASP . 25 A 25 A 26 1 n LEU . 26 A 26 A 27 1 n TYR . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n GLU . 29 A 29 A 30 1 n TYR . 30 A 30 A 31 1 n GLY . 31 A 31 A 32 1 n SER . 32 A 32 A 33 1 n ASN . 33 A 33 A 34 1 n THR . 34 A 34 A 35 1 n ILE . 35 A 35 A 36 1 n VAL . 36 A 36 A 37 1 n TRP . 37 A 37 A 38 1 n SER . 38 A 38 A 39 1 n ILE . 39 A 39 A 40 1 n ASP . 40 A 40 A 41 1 n LYS . 41 A 41 A 42 1 n ASN . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n ASP . 44 A 44 A 45 1 n LEU . 45 A 45 A 46 1 n ILE . 46 A 46 A 47 1 n ASP . 47 A 47 A 48 1 n GLU . 48 A 48 A 49 1 n VAL . 49 A 49 A 50 1 n THR . 50 A 50 A 51 1 n GLU . 51 A 51 A 52 1 n LEU . 52 A 52 A 53 1 n VAL . 53 A 53 A 54 1 n ALA . 54 A 54 A 55 1 n GLU . 55 A 55 A 56 1 n TYR . 56 A 56 A 57 1 n ALA . 57 A 57 A 58 1 n GLU . 58 A 58 A 59 1 n LYS . 59 A 59 A 60 1 n GLY . 60 A 60 A 61 1 n THR . 61 A 61 A 62 1 n VAL . 62 A 62 A 63 1 n ILE . 63 A 63 A 64 1 n LYS . 64 A 64 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _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 ? 4.788 -29.679 -20.415 1.00 34.67 1 A 1 ATOM 2 C CA . MET A 1 1 ? 4.335 -28.416 -19.781 1.00 40.09 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.734 -28.484 -18.313 1.00 41.55 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.331 -29.432 -17.653 1.00 40.88 1 A 1 ATOM 5 C CB . MET A 1 1 ? 2.815 -28.242 -19.920 1.00 39.96 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.423 -27.727 -21.310 1.00 36.11 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.672 -27.960 -21.711 1.00 33.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.083 -26.238 -21.756 1.00 31.75 1 A 1 ATOM 9 N N . LYS A 1 2 ? 5.579 -27.580 -17.832 1.00 34.37 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 5.910 -27.489 -16.400 1.00 37.11 2 A 1 ATOM 11 C C . LYS A 1 2 ? 4.866 -26.576 -15.754 1.00 36.52 2 A 1 ATOM 12 O O . LYS A 1 2 ? 4.804 -25.399 -16.100 1.00 35.70 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 7.342 -26.959 -16.190 1.00 37.62 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 8.424 -28.012 -16.499 1.00 34.83 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 9.835 -27.459 -16.218 1.00 33.72 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 10.909 -28.526 -16.467 1.00 31.15 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 12.274 -28.003 -16.200 1.00 28.85 2 A 1 ATOM 18 N N . ASN A 1 3 ? 4.029 -27.135 -14.889 1.00 34.09 3 A 1 ATOM 19 C CA . ASN A 1 3 ? 3.134 -26.348 -14.047 1.00 35.48 3 A 1 ATOM 20 C C . ASN A 1 3 ? 3.994 -25.672 -12.974 1.00 35.06 3 A 1 ATOM 21 O O . ASN A 1 3 ? 4.633 -26.361 -12.181 1.00 34.43 3 A 1 ATOM 22 C CB . ASN A 1 3 ? 2.051 -27.262 -13.438 1.00 34.33 3 A 1 ATOM 23 C CG . ASN A 1 3 ? 0.979 -27.678 -14.435 1.00 31.07 3 A 1 ATOM 24 O OD1 . ASN A 1 3 ? 0.801 -27.085 -15.489 1.00 30.55 3 A 1 ATOM 25 N ND2 . ASN A 1 3 ? 0.237 -28.716 -14.141 1.00 29.48 3 A 1 ATOM 26 N N . TYR A 1 4 ? 4.056 -24.348 -12.981 1.00 32.59 4 A 1 ATOM 27 C CA . TYR A 1 4 ? 4.625 -23.588 -11.877 1.00 33.20 4 A 1 ATOM 28 C C . TYR A 1 4 ? 3.537 -23.477 -10.806 1.00 33.91 4 A 1 ATOM 29 O O . TYR A 1 4 ? 2.532 -22.795 -11.010 1.00 32.82 4 A 1 ATOM 30 C CB . TYR A 1 4 ? 5.127 -22.226 -12.374 1.00 31.52 4 A 1 ATOM 31 C CG . TYR A 1 4 ? 6.359 -22.323 -13.266 1.00 29.23 4 A 1 ATOM 32 C CD1 . TYR A 1 4 ? 7.641 -22.329 -12.683 1.00 26.39 4 A 1 ATOM 33 C CD2 . TYR A 1 4 ? 6.228 -22.424 -14.666 1.00 26.05 4 A 1 ATOM 34 C CE1 . TYR A 1 4 ? 8.790 -22.424 -13.496 1.00 24.41 4 A 1 ATOM 35 C CE2 . TYR A 1 4 ? 7.375 -22.529 -15.483 1.00 25.40 4 A 1 ATOM 36 C CZ . TYR A 1 4 ? 8.656 -22.524 -14.895 1.00 24.65 4 A 1 ATOM 37 O OH . TYR A 1 4 ? 9.769 -22.616 -15.679 1.00 24.14 4 A 1 ATOM 38 N N . GLU A 1 5 ? 3.706 -24.193 -9.698 1.00 31.58 5 A 1 ATOM 39 C CA . GLU A 1 5 ? 2.925 -23.926 -8.488 1.00 33.59 5 A 1 ATOM 40 C C . GLU A 1 5 ? 3.332 -22.544 -7.973 1.00 33.64 5 A 1 ATOM 41 O O . GLU A 1 5 ? 4.461 -22.320 -7.542 1.00 33.63 5 A 1 ATOM 42 C CB . GLU A 1 5 ? 3.135 -25.018 -7.423 1.00 34.25 5 A 1 ATOM 43 C CG . GLU A 1 5 ? 2.273 -26.256 -7.719 1.00 31.00 5 A 1 ATOM 44 C CD . GLU A 1 5 ? 2.380 -27.336 -6.633 1.00 29.77 5 A 1 ATOM 45 O OE1 . GLU A 1 5 ? 1.366 -28.050 -6.446 1.00 28.01 5 A 1 ATOM 46 O OE2 . GLU A 1 5 ? 3.475 -27.474 -6.045 1.00 30.35 5 A 1 ATOM 47 N N . VAL A 1 6 ? 2.411 -21.594 -8.083 1.00 30.70 6 A 1 ATOM 48 C CA . VAL A 1 6 ? 2.542 -20.283 -7.443 1.00 32.18 6 A 1 ATOM 49 C C . VAL A 1 6 ? 2.440 -20.531 -5.940 1.00 33.72 6 A 1 ATOM 50 O O . VAL A 1 6 ? 1.364 -20.860 -5.439 1.00 32.94 6 A 1 ATOM 51 C CB . VAL A 1 6 ? 1.459 -19.311 -7.955 1.00 30.73 6 A 1 ATOM 52 C CG1 . VAL A 1 6 ? 1.587 -17.933 -7.302 1.00 27.02 6 A 1 ATOM 53 C CG2 . VAL A 1 6 ? 1.562 -19.118 -9.478 1.00 28.10 6 A 1 ATOM 54 N N . THR A 1 7 ? 3.572 -20.435 -5.245 1.00 32.44 7 A 1 ATOM 55 C CA . THR A 1 7 ? 3.644 -20.613 -3.794 1.00 33.73 7 A 1 ATOM 56 C C . THR A 1 7 ? 2.752 -19.578 -3.098 1.00 34.59 7 A 1 ATOM 57 O O . THR A 1 7 ? 2.594 -18.449 -3.571 1.00 33.27 7 A 1 ATOM 58 C CB . THR A 1 7 ? 5.099 -20.547 -3.291 1.00 31.49 7 A 1 ATOM 59 O OG1 . THR A 1 7 ? 5.766 -19.437 -3.854 1.00 28.44 7 A 1 ATOM 60 C CG2 . THR A 1 7 ? 5.897 -21.789 -3.696 1.00 29.13 7 A 1 ATOM 61 N N . ASN A 1 8 ? 2.134 -19.964 -1.984 1.00 35.80 8 A 1 ATOM 62 C CA . ASN A 1 8 ? 1.216 -19.112 -1.211 1.00 36.91 8 A 1 ATOM 63 C C . ASN A 1 8 ? 1.834 -17.757 -0.813 1.00 37.33 8 A 1 ATOM 64 O O . ASN A 1 8 ? 1.107 -16.776 -0.668 1.00 36.63 8 A 1 ATOM 65 C CB . ASN A 1 8 ? 0.748 -19.891 0.032 1.00 35.50 8 A 1 ATOM 66 C CG . ASN A 1 8 ? -0.363 -20.894 -0.256 1.00 31.47 8 A 1 ATOM 67 O OD1 . ASN A 1 8 ? -1.167 -20.742 -1.164 1.00 29.49 8 A 1 ATOM 68 N ND2 . ASN A 1 8 ? -0.462 -21.942 0.527 1.00 29.64 8 A 1 ATOM 69 N N . GLU A 1 9 ? 3.165 -17.674 -0.718 1.00 38.95 9 A 1 ATOM 70 C CA . GLU A 1 9 ? 3.926 -16.439 -0.470 1.00 40.55 9 A 1 ATOM 71 C C . GLU A 1 9 ? 3.763 -15.411 -1.598 1.00 40.16 9 A 1 ATOM 72 O O . GLU A 1 9 ? 3.527 -14.235 -1.331 1.00 38.90 9 A 1 ATOM 73 C CB . GLU A 1 9 ? 5.405 -16.804 -0.290 1.00 39.45 9 A 1 ATOM 74 C CG . GLU A 1 9 ? 5.636 -17.609 0.999 1.00 35.11 9 A 1 ATOM 75 C CD . GLU A 1 9 ? 7.085 -18.100 1.140 1.00 33.00 9 A 1 ATOM 76 O OE1 . GLU A 1 9 ? 7.518 -18.273 2.295 1.00 30.52 9 A 1 ATOM 77 O OE2 . GLU A 1 9 ? 7.708 -18.379 0.083 1.00 32.11 9 A 1 ATOM 78 N N . VAL A 1 10 ? 3.776 -15.840 -2.870 1.00 38.03 10 A 1 ATOM 79 C CA . VAL A 1 10 ? 3.595 -14.940 -4.028 1.00 38.15 10 A 1 ATOM 80 C C . VAL A 1 10 ? 2.156 -14.412 -4.112 1.00 39.17 10 A 1 ATOM 81 O O . VAL A 1 10 ? 1.935 -13.260 -4.487 1.00 37.67 10 A 1 ATOM 82 C CB . VAL A 1 10 ? 4.007 -15.651 -5.336 1.00 36.04 10 A 1 ATOM 83 C CG1 . VAL A 1 10 ? 3.821 -14.762 -6.577 1.00 31.66 10 A 1 ATOM 84 C CG2 . VAL A 1 10 ? 5.485 -16.071 -5.297 1.00 32.67 10 A 1 ATOM 85 N N . LYS A 1 11 ? 1.165 -15.216 -3.725 1.00 38.97 11 A 1 ATOM 86 C CA . LYS A 1 11 ? -0.232 -14.759 -3.622 1.00 40.19 11 A 1 ATOM 87 C C . LYS A 1 11 ? -0.423 -13.734 -2.502 1.00 40.12 11 A 1 ATOM 88 O O . LYS A 1 11 ? -1.120 -12.749 -2.721 1.00 38.69 11 A 1 ATOM 89 C CB . LYS A 1 11 ? -1.184 -15.946 -3.425 1.00 39.16 11 A 1 ATOM 90 C CG . LYS A 1 11 ? -1.493 -16.657 -4.752 1.00 36.17 11 A 1 ATOM 91 C CD . LYS A 1 11 ? -2.536 -17.752 -4.514 1.00 34.52 11 A 1 ATOM 92 C CE . LYS A 1 11 ? -2.945 -18.389 -5.842 1.00 31.86 11 A 1 ATOM 93 N NZ . LYS A 1 11 ? -3.948 -19.461 -5.625 1.00 29.26 11 A 1 ATOM 94 N N . ASN A 1 12 ? 0.208 -13.928 -1.353 1.00 42.48 12 A 1 ATOM 95 C CA . ASN A 1 12 ? 0.170 -12.958 -0.251 1.00 43.38 12 A 1 ATOM 96 C C . ASN A 1 12 ? 0.855 -11.639 -0.631 1.00 43.26 12 A 1 ATOM 97 O O . ASN A 1 12 ? 0.286 -10.581 -0.376 1.00 42.24 12 A 1 ATOM 98 C CB . ASN A 1 12 ? 0.791 -13.575 1.017 1.00 42.48 12 A 1 ATOM 99 C CG . ASN A 1 12 ? -0.215 -14.291 1.902 1.00 38.88 12 A 1 ATOM 100 O OD1 . ASN A 1 12 ? -1.420 -14.266 1.711 1.00 36.80 12 A 1 ATOM 101 N ND2 . ASN A 1 12 ? 0.250 -14.947 2.937 1.00 36.26 12 A 1 ATOM 102 N N . LEU A 1 13 ? 1.991 -11.685 -1.307 1.00 39.97 13 A 1 ATOM 103 C CA . LEU A 1 13 ? 2.688 -10.499 -1.822 1.00 39.86 13 A 1 ATOM 104 C C . LEU A 1 13 ? 1.831 -9.710 -2.817 1.00 40.35 13 A 1 ATOM 105 O O . LEU A 1 13 ? 1.701 -8.498 -2.675 1.00 38.30 13 A 1 ATOM 106 C CB . LEU A 1 13 ? 4.022 -10.944 -2.456 1.00 37.47 13 A 1 ATOM 107 C CG . LEU A 1 13 ? 5.219 -10.703 -1.523 1.00 34.55 13 A 1 ATOM 108 C CD1 . LEU A 1 13 ? 6.276 -11.793 -1.685 1.00 31.85 13 A 1 ATOM 109 C CD2 . LEU A 1 13 ? 5.860 -9.356 -1.826 1.00 32.50 13 A 1 ATOM 110 N N . ASN A 1 14 ? 1.168 -10.369 -3.770 1.00 39.23 14 A 1 ATOM 111 C CA . ASN A 1 14 ? 0.277 -9.682 -4.710 1.00 40.12 14 A 1 ATOM 112 C C . ASN A 1 14 ? -0.921 -9.037 -4.001 1.00 41.58 14 A 1 ATOM 113 O O . ASN A 1 14 ? -1.268 -7.901 -4.310 1.00 40.65 14 A 1 ATOM 114 C CB . ASN A 1 14 ? -0.192 -10.657 -5.804 1.00 38.02 14 A 1 ATOM 115 C CG . ASN A 1 14 ? 0.775 -10.774 -6.969 1.00 34.43 14 A 1 ATOM 116 O OD1 . ASN A 1 14 ? 1.818 -10.150 -7.062 1.00 32.28 14 A 1 ATOM 117 N ND2 . ASN A 1 14 ? 0.439 -11.582 -7.945 1.00 31.95 14 A 1 ATOM 118 N N . THR A 1 15 ? -1.517 -9.709 -3.020 1.00 41.26 15 A 1 ATOM 119 C CA . THR A 1 15 ? -2.642 -9.159 -2.243 1.00 42.50 15 A 1 ATOM 120 C C . THR A 1 15 ? -2.202 -7.958 -1.394 1.00 43.64 15 A 1 ATOM 121 O O . THR A 1 15 ? -2.922 -6.966 -1.309 1.00 42.56 15 A 1 ATOM 122 C CB . THR A 1 15 ? -3.262 -10.240 -1.345 1.00 40.57 15 A 1 ATOM 123 O OG1 . THR A 1 15 ? -3.579 -11.397 -2.095 1.00 37.17 15 A 1 ATOM 124 C CG2 . THR A 1 15 ? -4.563 -9.784 -0.690 1.00 36.74 15 A 1 ATOM 125 N N . GLN A 1 16 ? -1.010 -8.005 -0.806 1.00 48.28 16 A 1 ATOM 126 C CA . GLN A 1 16 ? -0.438 -6.883 -0.051 1.00 49.07 16 A 1 ATOM 127 C C . GLN A 1 16 ? -0.127 -5.688 -0.962 1.00 49.98 16 A 1 ATOM 128 O O . GLN A 1 16 ? -0.499 -4.563 -0.631 1.00 48.97 16 A 1 ATOM 129 C CB . GLN A 1 16 ? 0.824 -7.345 0.689 1.00 46.96 16 A 1 ATOM 130 C CG . GLN A 1 16 ? 0.480 -8.198 1.920 1.00 42.29 16 A 1 ATOM 131 C CD . GLN A 1 16 ? 1.719 -8.786 2.592 1.00 39.66 16 A 1 ATOM 132 O OE1 . GLN A 1 16 ? 2.839 -8.694 2.124 1.00 37.83 16 A 1 ATOM 133 N NE2 . GLN A 1 16 ? 1.565 -9.433 3.729 1.00 36.40 16 A 1 ATOM 134 N N . VAL A 1 17 ? 0.449 -5.910 -2.136 1.00 43.62 17 A 1 ATOM 135 C CA . VAL A 1 17 ? 0.730 -4.853 -3.124 1.00 43.96 17 A 1 ATOM 136 C C . VAL A 1 17 ? -0.564 -4.209 -3.638 1.00 45.62 17 A 1 ATOM 137 O O . VAL A 1 17 ? -0.633 -2.986 -3.725 1.00 44.39 17 A 1 ATOM 138 C CB . VAL A 1 17 ? 1.590 -5.410 -4.279 1.00 41.88 17 A 1 ATOM 139 C CG1 . VAL A 1 17 ? 1.731 -4.428 -5.450 1.00 38.78 17 A 1 ATOM 140 C CG2 . VAL A 1 17 ? 3.014 -5.718 -3.789 1.00 39.11 17 A 1 ATOM 141 N N . GLU A 1 18 ? -1.608 -4.984 -3.910 1.00 51.22 18 A 1 ATOM 142 C CA . GLU A 1 18 ? -2.927 -4.443 -4.285 1.00 52.50 18 A 1 ATOM 143 C C . GLU A 1 18 ? -3.543 -3.594 -3.157 1.00 53.42 18 A 1 ATOM 144 O O . GLU A 1 18 ? -4.090 -2.522 -3.417 1.00 51.53 18 A 1 ATOM 145 C CB . GLU A 1 18 ? -3.881 -5.591 -4.669 1.00 50.72 18 A 1 ATOM 146 C CG . GLU A 1 18 ? -3.581 -6.148 -6.074 1.00 46.10 18 A 1 ATOM 147 C CD . GLU A 1 18 ? -4.487 -7.330 -6.477 1.00 43.96 18 A 1 ATOM 148 O OE1 . GLU A 1 18 ? -4.355 -7.782 -7.640 1.00 41.98 18 A 1 ATOM 149 O OE2 . GLU A 1 18 ? -5.295 -7.801 -5.641 1.00 42.02 18 A 1 ATOM 150 N N . THR A 1 19 ? -3.398 -4.015 -1.902 1.00 55.59 19 A 1 ATOM 151 C CA . THR A 1 19 ? -3.908 -3.272 -0.734 1.00 56.24 19 A 1 ATOM 152 C C . THR A 1 19 ? -3.146 -1.956 -0.522 1.00 57.25 19 A 1 ATOM 153 O O . THR A 1 19 ? -3.759 -0.918 -0.256 1.00 55.98 19 A 1 ATOM 154 C CB . THR A 1 19 ? -3.840 -4.137 0.537 1.00 53.78 19 A 1 ATOM 155 O OG1 . THR A 1 19 ? -4.488 -5.378 0.329 1.00 48.46 19 A 1 ATOM 156 C CG2 . THR A 1 19 ? -4.547 -3.491 1.727 1.00 48.19 19 A 1 ATOM 157 N N . ILE A 1 20 ? -1.829 -1.961 -0.698 1.00 57.96 20 A 1 ATOM 158 C CA . ILE A 1 20 ? -0.986 -0.757 -0.643 1.00 58.28 20 A 1 ATOM 159 C C . ILE A 1 20 ? -1.339 0.196 -1.796 1.00 59.27 20 A 1 ATOM 160 O O . ILE A 1 20 ? -1.493 1.397 -1.570 1.00 57.28 20 A 1 ATOM 161 C CB . ILE A 1 20 ? 0.512 -1.153 -0.651 1.00 57.19 20 A 1 ATOM 162 C CG1 . ILE A 1 20 ? 0.883 -1.863 0.676 1.00 53.39 20 A 1 ATOM 163 C CG2 . ILE A 1 20 ? 1.421 0.079 -0.852 1.00 51.69 20 A 1 ATOM 164 C CD1 . ILE A 1 20 ? 2.226 -2.612 0.622 1.00 49.27 20 A 1 ATOM 165 N N . GLY A 1 21 ? -1.542 -0.319 -3.006 1.00 60.37 21 A 1 ATOM 166 C CA . GLY A 1 21 ? -1.988 0.474 -4.156 1.00 60.33 21 A 1 ATOM 167 C C . GLY A 1 21 ? -3.328 1.177 -3.896 1.00 62.01 21 A 1 ATOM 168 O O . GLY A 1 21 ? -3.445 2.382 -4.117 1.00 60.41 21 A 1 ATOM 169 N N . GLN A 1 22 ? -4.296 0.461 -3.330 1.00 60.49 22 A 1 ATOM 170 C CA . GLN A 1 22 ? -5.592 1.032 -2.941 1.00 61.48 22 A 1 ATOM 171 C C . GLN A 1 22 ? -5.459 2.098 -1.839 1.00 61.99 22 A 1 ATOM 172 O O . GLN A 1 22 ? -6.122 3.135 -1.909 1.00 61.22 22 A 1 ATOM 173 C CB . GLN A 1 22 ? -6.525 -0.093 -2.474 1.00 60.97 22 A 1 ATOM 174 C CG . GLN A 1 22 ? -7.023 -0.943 -3.658 1.00 57.97 22 A 1 ATOM 175 C CD . GLN A 1 22 ? -7.861 -2.139 -3.218 1.00 56.58 22 A 1 ATOM 176 O OE1 . GLN A 1 22 ? -8.174 -2.367 -2.061 1.00 54.90 22 A 1 ATOM 177 N NE2 . GLN A 1 22 ? -8.280 -2.967 -4.153 1.00 53.62 22 A 1 ATOM 178 N N . ALA A 1 23 ? -4.583 1.891 -0.849 1.00 60.41 23 A 1 ATOM 179 C CA . ALA A 1 23 ? -4.320 2.880 0.201 1.00 59.91 23 A 1 ATOM 180 C C . ALA A 1 23 ? -3.673 4.164 -0.359 1.00 60.67 23 A 1 ATOM 181 O O . ALA A 1 23 ? -4.031 5.271 0.051 1.00 59.47 23 A 1 ATOM 182 C CB . ALA A 1 23 ? -3.443 2.227 1.278 1.00 58.08 23 A 1 ATOM 183 N N . VAL A 1 24 ? -2.769 4.030 -1.329 1.00 61.30 24 A 1 ATOM 184 C CA . VAL A 1 24 ? -2.136 5.164 -2.027 1.00 61.28 24 A 1 ATOM 185 C C . VAL A 1 24 ? -3.147 5.931 -2.891 1.00 62.60 24 A 1 ATOM 186 O O . VAL A 1 24 ? -3.122 7.165 -2.915 1.00 60.80 24 A 1 ATOM 187 C CB . VAL A 1 24 ? -0.941 4.666 -2.870 1.00 59.47 24 A 1 ATOM 188 C CG1 . VAL A 1 24 ? -0.375 5.745 -3.811 1.00 54.94 24 A 1 ATOM 189 C CG2 . VAL A 1 24 ? 0.216 4.218 -1.963 1.00 53.73 24 A 1 ATOM 190 N N . ASP A 1 25 ? -4.055 5.242 -3.566 1.00 61.29 25 A 1 ATOM 191 C CA . ASP A 1 25 ? -5.103 5.896 -4.362 1.00 62.42 25 A 1 ATOM 192 C C . ASP A 1 25 ? -6.112 6.641 -3.469 1.00 62.66 25 A 1 ATOM 193 O O . ASP A 1 25 ? -6.430 7.803 -3.737 1.00 61.93 25 A 1 ATOM 194 C CB . ASP A 1 25 ? -5.773 4.869 -5.287 1.00 61.61 25 A 1 ATOM 195 C CG . ASP A 1 25 ? -4.894 4.470 -6.490 1.00 59.27 25 A 1 ATOM 196 O OD1 . ASP A 1 25 ? -3.958 5.241 -6.845 1.00 57.37 25 A 1 ATOM 197 O OD2 . ASP A 1 25 ? -5.195 3.414 -7.087 1.00 56.61 25 A 1 ATOM 198 N N . LEU A 1 26 ? -6.509 6.050 -2.331 1.00 59.85 26 A 1 ATOM 199 C CA . LEU A 1 26 ? -7.337 6.720 -1.318 1.00 59.39 26 A 1 ATOM 200 C C . LEU A 1 26 ? -6.625 7.939 -0.705 1.00 59.69 26 A 1 ATOM 201 O O . LEU A 1 26 ? -7.258 8.969 -0.462 1.00 58.00 26 A 1 ATOM 202 C CB . LEU A 1 26 ? -7.709 5.702 -0.225 1.00 57.78 26 A 1 ATOM 203 C CG . LEU A 1 26 ? -8.791 4.690 -0.649 1.00 53.95 26 A 1 ATOM 204 C CD1 . LEU A 1 26 ? -8.846 3.539 0.354 1.00 52.10 26 A 1 ATOM 205 C CD2 . LEU A 1 26 ? -10.179 5.331 -0.703 1.00 50.72 26 A 1 ATOM 206 N N . TYR A 1 27 ? -5.310 7.862 -0.491 1.00 58.30 27 A 1 ATOM 207 C CA . TYR A 1 27 ? -4.519 9.006 -0.025 1.00 58.38 27 A 1 ATOM 208 C C . TYR A 1 27 ? -4.493 10.151 -1.045 1.00 58.56 27 A 1 ATOM 209 O O . TYR A 1 27 ? -4.633 11.317 -0.672 1.00 57.17 27 A 1 ATOM 210 C CB . TYR A 1 27 ? -3.094 8.550 0.296 1.00 56.83 27 A 1 ATOM 211 C CG . TYR A 1 27 ? -2.200 9.665 0.811 1.00 53.47 27 A 1 ATOM 212 C CD1 . TYR A 1 27 ? -1.375 10.393 -0.073 1.00 50.12 27 A 1 ATOM 213 C CD2 . TYR A 1 27 ? -2.210 9.990 2.180 1.00 48.96 27 A 1 ATOM 214 C CE1 . TYR A 1 27 ? -0.561 11.432 0.418 1.00 46.80 27 A 1 ATOM 215 C CE2 . TYR A 1 27 ? -1.396 11.025 2.673 1.00 46.86 27 A 1 ATOM 216 C CZ . TYR A 1 27 ? -0.569 11.748 1.793 1.00 46.80 27 A 1 ATOM 217 O OH . TYR A 1 27 ? 0.221 12.749 2.279 1.00 46.17 27 A 1 ATOM 218 N N . LYS A 1 28 ? -4.347 9.839 -2.337 1.00 58.73 28 A 1 ATOM 219 C CA . LYS A 1 28 ? -4.381 10.846 -3.410 1.00 58.50 28 A 1 ATOM 220 C C . LYS A 1 28 ? -5.754 11.503 -3.544 1.00 57.79 28 A 1 ATOM 221 O O . LYS A 1 28 ? -5.826 12.688 -3.859 1.00 56.12 28 A 1 ATOM 222 C CB . LYS A 1 28 ? -4.001 10.195 -4.743 1.00 57.28 28 A 1 ATOM 223 C CG . LYS A 1 28 ? -2.501 9.894 -4.854 1.00 53.90 28 A 1 ATOM 224 C CD . LYS A 1 28 ? -2.276 9.081 -6.131 1.00 53.66 28 A 1 ATOM 225 C CE . LYS A 1 28 ? -0.814 8.676 -6.287 1.00 50.75 28 A 1 ATOM 226 N NZ . LYS A 1 28 ? -0.702 7.650 -7.352 1.00 48.14 28 A 1 ATOM 227 N N . GLU A 1 29 ? -6.827 10.747 -3.313 1.00 57.83 29 A 1 ATOM 228 C CA . GLU A 1 29 ? -8.204 11.224 -3.483 1.00 58.29 29 A 1 ATOM 229 C C . GLU A 1 29 ? -8.717 12.022 -2.266 1.00 57.62 29 A 1 ATOM 230 O O . GLU A 1 29 ? -9.407 13.027 -2.436 1.00 55.55 29 A 1 ATOM 231 C CB . GLU A 1 29 ? -9.091 10.007 -3.814 1.00 57.92 29 A 1 ATOM 232 C CG . GLU A 1 29 ? -10.464 10.421 -4.364 1.00 53.57 29 A 1 ATOM 233 C CD . GLU A 1 29 ? -11.336 9.228 -4.820 1.00 53.03 29 A 1 ATOM 234 O OE1 . GLU A 1 29 ? -12.508 9.488 -5.186 1.00 50.83 29 A 1 ATOM 235 O OE2 . GLU A 1 29 ? -10.872 8.067 -4.772 1.00 51.78 29 A 1 ATOM 236 N N . TYR A 1 30 ? -8.348 11.613 -1.044 1.00 53.31 30 A 1 ATOM 237 C CA . TYR A 1 30 ? -8.919 12.163 0.197 1.00 52.33 30 A 1 ATOM 238 C C . TYR A 1 30 ? -7.896 12.798 1.159 1.00 51.28 30 A 1 ATOM 239 O O . TYR A 1 30 ? -8.282 13.371 2.181 1.00 49.42 30 A 1 ATOM 240 C CB . TYR A 1 30 ? -9.756 11.076 0.877 1.00 50.43 30 A 1 ATOM 241 C CG . TYR A 1 30 ? -10.909 10.549 0.034 1.00 48.74 30 A 1 ATOM 242 C CD1 . TYR A 1 30 ? -12.109 11.286 -0.058 1.00 47.59 30 A 1 ATOM 243 C CD2 . TYR A 1 30 ? -10.772 9.352 -0.691 1.00 46.73 30 A 1 ATOM 244 C CE1 . TYR A 1 30 ? -13.154 10.839 -0.892 1.00 46.52 30 A 1 ATOM 245 C CE2 . TYR A 1 30 ? -11.810 8.906 -1.531 1.00 45.72 30 A 1 ATOM 246 C CZ . TYR A 1 30 ? -12.997 9.658 -1.642 1.00 45.05 30 A 1 ATOM 247 O OH . TYR A 1 30 ? -13.977 9.253 -2.498 1.00 45.29 30 A 1 ATOM 248 N N . GLY A 1 31 ? -6.590 12.739 0.839 1.00 54.30 31 A 1 ATOM 249 C CA . GLY A 1 31 ? -5.508 13.282 1.663 1.00 53.17 31 A 1 ATOM 250 C C . GLY A 1 31 ? -5.154 12.422 2.892 1.00 53.14 31 A 1 ATOM 251 O O . GLY A 1 31 ? -5.746 11.375 3.147 1.00 50.91 31 A 1 ATOM 252 N N . SER A 1 32 ? -4.177 12.865 3.674 1.00 49.23 32 A 1 ATOM 253 C CA . SER A 1 32 ? -3.559 12.116 4.785 1.00 48.94 32 A 1 ATOM 254 C C . SER A 1 32 ? -4.517 11.685 5.905 1.00 49.60 32 A 1 ATOM 255 O O . SER A 1 32 ? -4.215 10.759 6.652 1.00 47.15 32 A 1 ATOM 256 C CB . SER A 1 32 ? -2.433 12.957 5.396 1.00 46.26 32 A 1 ATOM 257 O OG . SER A 1 32 ? -2.915 14.221 5.827 1.00 42.17 32 A 1 ATOM 258 N N . ASN A 1 33 ? -5.678 12.301 6.025 1.00 44.79 33 A 1 ATOM 259 C CA . ASN A 1 33 ? -6.650 12.002 7.083 1.00 45.22 33 A 1 ATOM 260 C C . ASN A 1 33 ? -7.413 10.682 6.875 1.00 46.11 33 A 1 ATOM 261 O O . ASN A 1 33 ? -8.117 10.246 7.780 1.00 44.50 33 A 1 ATOM 262 C CB . ASN A 1 33 ? -7.604 13.199 7.217 1.00 42.88 33 A 1 ATOM 263 C CG . ASN A 1 33 ? -6.955 14.420 7.855 1.00 39.14 33 A 1 ATOM 264 O OD1 . ASN A 1 33 ? -5.943 14.360 8.534 1.00 36.56 33 A 1 ATOM 265 N ND2 . ASN A 1 33 ? -7.531 15.583 7.678 1.00 35.59 33 A 1 ATOM 266 N N . THR A 1 34 ? -7.279 10.020 5.713 1.00 39.69 34 A 1 ATOM 267 C CA . THR A 1 34 ? -8.082 8.834 5.347 1.00 39.80 34 A 1 ATOM 268 C C . THR A 1 34 ? -7.353 7.500 5.568 1.00 40.94 34 A 1 ATOM 269 O O . THR A 1 34 ? -7.990 6.451 5.572 1.00 39.45 34 A 1 ATOM 270 C CB . THR A 1 34 ? -8.595 8.960 3.903 1.00 36.90 34 A 1 ATOM 271 O OG1 . THR A 1 34 ? -8.886 10.314 3.594 1.00 34.15 34 A 1 ATOM 272 C CG2 . THR A 1 34 ? -9.899 8.193 3.679 1.00 33.31 34 A 1 ATOM 273 N N . ILE A 1 35 ? -6.040 7.490 5.823 1.00 43.51 35 A 1 ATOM 274 C CA . ILE A 1 35 ? -5.227 6.255 5.963 1.00 43.15 35 A 1 ATOM 275 C C . ILE A 1 35 ? -5.396 5.562 7.335 1.00 43.45 35 A 1 ATOM 276 O O . ILE A 1 35 ? -4.827 4.509 7.594 1.00 42.08 35 A 1 ATOM 277 C CB . ILE A 1 35 ? -3.756 6.549 5.555 1.00 41.34 35 A 1 ATOM 278 C CG1 . ILE A 1 35 ? -3.741 6.916 4.046 1.00 38.54 35 A 1 ATOM 279 C CG2 . ILE A 1 35 ? -2.783 5.392 5.814 1.00 37.69 35 A 1 ATOM 280 C CD1 . ILE A 1 35 ? -2.352 7.107 3.438 1.00 36.16 35 A 1 ATOM 281 N N . VAL A 1 36 ? -6.216 6.076 8.238 1.00 38.40 36 A 1 ATOM 282 C CA . VAL A 1 36 ? -6.242 5.657 9.661 1.00 37.96 36 A 1 ATOM 283 C C . VAL A 1 36 ? -7.077 4.386 9.942 1.00 39.09 36 A 1 ATOM 284 O O . VAL A 1 36 ? -7.113 3.931 11.075 1.00 37.66 36 A 1 ATOM 285 C CB . VAL A 1 36 ? -6.590 6.877 10.554 1.00 35.04 36 A 1 ATOM 286 C CG1 . VAL A 1 36 ? -6.537 6.602 12.064 1.00 31.97 36 A 1 ATOM 287 C CG2 . VAL A 1 36 ? -5.598 8.032 10.308 1.00 31.44 36 A 1 ATOM 288 N N . TRP A 1 37 ? -7.733 3.740 8.953 1.00 38.44 37 A 1 ATOM 289 C CA . TRP A 1 37 ? -8.778 2.753 9.283 1.00 38.06 37 A 1 ATOM 290 C C . TRP A 1 37 ? -8.565 1.285 8.874 1.00 38.45 37 A 1 ATOM 291 O O . TRP A 1 37 ? -9.456 0.476 9.132 1.00 37.03 37 A 1 ATOM 292 C CB . TRP A 1 37 ? -10.152 3.307 8.877 1.00 35.93 37 A 1 ATOM 293 C CG . TRP A 1 37 ? -10.743 4.203 9.918 1.00 34.51 37 A 1 ATOM 294 C CD1 . TRP A 1 37 ? -10.317 5.452 10.217 1.00 31.99 37 A 1 ATOM 295 C CD2 . TRP A 1 37 ? -11.830 3.913 10.854 1.00 32.42 37 A 1 ATOM 296 N NE1 . TRP A 1 37 ? -11.053 5.953 11.275 1.00 30.70 37 A 1 ATOM 297 C CE2 . TRP A 1 37 ? -12.002 5.044 11.705 1.00 30.82 37 A 1 ATOM 298 C CE3 . TRP A 1 37 ? -12.681 2.811 11.069 1.00 31.51 37 A 1 ATOM 299 C CZ2 . TRP A 1 37 ? -12.967 5.085 12.722 1.00 29.79 37 A 1 ATOM 300 C CZ3 . TRP A 1 37 ? -13.652 2.843 12.083 1.00 29.51 37 A 1 ATOM 301 C CH2 . TRP A 1 37 ? -13.796 3.977 12.909 1.00 29.46 37 A 1 ATOM 302 N N . SER A 1 38 ? -7.418 0.861 8.314 1.00 44.39 38 A 1 ATOM 303 C CA . SER A 1 38 ? -7.236 -0.557 7.922 1.00 44.36 38 A 1 ATOM 304 C C . SER A 1 38 ? -5.896 -1.216 8.267 1.00 44.91 38 A 1 ATOM 305 O O . SER A 1 38 ? -5.707 -2.383 7.938 1.00 42.81 38 A 1 ATOM 306 C CB . SER A 1 38 ? -7.609 -0.762 6.452 1.00 41.33 38 A 1 ATOM 307 O OG . SER A 1 38 ? -6.770 -0.001 5.617 1.00 37.79 38 A 1 ATOM 308 N N . ILE A 1 39 ? -4.985 -0.559 8.974 1.00 44.72 39 A 1 ATOM 309 C CA . ILE A 1 39 ? -3.667 -1.119 9.341 1.00 44.57 39 A 1 ATOM 310 C C . ILE A 1 39 ? -3.596 -1.426 10.848 1.00 44.44 39 A 1 ATOM 311 O O . ILE A 1 39 ? -2.615 -1.154 11.519 1.00 42.65 39 A 1 ATOM 312 C CB . ILE A 1 39 ? -2.491 -0.265 8.797 1.00 42.70 39 A 1 ATOM 313 C CG1 . ILE A 1 39 ? -2.742 0.283 7.367 1.00 40.28 39 A 1 ATOM 314 C CG2 . ILE A 1 39 ? -1.217 -1.134 8.770 1.00 39.44 39 A 1 ATOM 315 C CD1 . ILE A 1 39 ? -1.638 1.214 6.838 1.00 38.11 39 A 1 ATOM 316 N N . ASP A 1 40 ? -4.649 -2.014 11.421 1.00 44.38 40 A 1 ATOM 317 C CA . ASP A 1 40 ? -4.727 -2.258 12.878 1.00 45.18 40 A 1 ATOM 318 C C . ASP A 1 40 ? -4.076 -3.589 13.328 1.00 46.01 40 A 1 ATOM 319 O O . ASP A 1 40 ? -4.334 -4.081 14.423 1.00 43.78 40 A 1 ATOM 320 C CB . ASP A 1 40 ? -6.196 -2.111 13.324 1.00 42.11 40 A 1 ATOM 321 C CG . ASP A 1 40 ? -6.397 -1.381 14.660 1.00 38.63 40 A 1 ATOM 322 O OD1 . ASP A 1 40 ? -5.446 -0.754 15.166 1.00 35.61 40 A 1 ATOM 323 O OD2 . ASP A 1 40 ? -7.551 -1.434 15.158 1.00 34.88 40 A 1 ATOM 324 N N . LYS A 1 41 ? -3.261 -4.254 12.471 1.00 46.07 41 A 1 ATOM 325 C CA . LYS A 1 41 ? -2.694 -5.582 12.805 1.00 46.49 41 A 1 ATOM 326 C C . LYS A 1 41 ? -1.241 -5.865 12.405 1.00 47.33 41 A 1 ATOM 327 O O . LYS A 1 41 ? -0.810 -6.998 12.600 1.00 44.72 41 A 1 ATOM 328 C CB . LYS A 1 41 ? -3.635 -6.700 12.316 1.00 43.71 41 A 1 ATOM 329 C CG . LYS A 1 41 ? -4.908 -6.748 13.169 1.00 39.26 41 A 1 ATOM 330 C CD . LYS A 1 41 ? -5.690 -8.036 12.951 1.00 37.62 41 A 1 ATOM 331 C CE . LYS A 1 41 ? -6.893 -8.000 13.891 1.00 34.52 41 A 1 ATOM 332 N NZ . LYS A 1 41 ? -7.725 -9.206 13.743 1.00 31.84 41 A 1 ATOM 333 N N . ASN A 1 42 ? -0.485 -4.918 11.875 1.00 52.86 42 A 1 ATOM 334 C CA . ASN A 1 42 ? 0.930 -5.138 11.559 1.00 54.23 42 A 1 ATOM 335 C C . ASN A 1 42 ? 1.712 -3.829 11.744 1.00 55.54 42 A 1 ATOM 336 O O . ASN A 1 42 ? 1.783 -3.021 10.819 1.00 54.17 42 A 1 ATOM 337 C CB . ASN A 1 42 ? 1.059 -5.713 10.131 1.00 52.08 42 A 1 ATOM 338 C CG . ASN A 1 42 ? 1.350 -7.204 10.087 1.00 47.12 42 A 1 ATOM 339 O OD1 . ASN A 1 42 ? 1.863 -7.818 11.002 1.00 44.28 42 A 1 ATOM 340 N ND2 . ASN A 1 42 ? 1.050 -7.851 8.988 1.00 43.69 42 A 1 ATOM 341 N N . GLU A 1 43 ? 2.263 -3.628 12.936 1.00 56.85 43 A 1 ATOM 342 C CA . GLU A 1 43 ? 3.085 -2.449 13.266 1.00 58.07 43 A 1 ATOM 343 C C . GLU A 1 43 ? 4.283 -2.306 12.307 1.00 59.12 43 A 1 ATOM 344 O O . GLU A 1 43 ? 4.552 -1.203 11.833 1.00 56.35 43 A 1 ATOM 345 C CB . GLU A 1 43 ? 3.533 -2.527 14.743 1.00 56.68 43 A 1 ATOM 346 C CG . GLU A 1 43 ? 2.362 -2.264 15.714 1.00 52.01 43 A 1 ATOM 347 C CD . GLU A 1 43 ? 2.733 -2.368 17.210 1.00 49.39 43 A 1 ATOM 348 O OE1 . GLU A 1 43 ? 2.055 -1.699 18.027 1.00 46.40 43 A 1 ATOM 349 O OE2 . GLU A 1 43 ? 3.637 -3.162 17.560 1.00 47.11 43 A 1 ATOM 350 N N . ASP A 1 44 ? 4.888 -3.425 11.880 1.00 60.75 44 A 1 ATOM 351 C CA . ASP A 1 44 ? 6.018 -3.427 10.930 1.00 61.53 44 A 1 ATOM 352 C C . ASP A 1 44 ? 5.642 -2.876 9.530 1.00 61.65 44 A 1 ATOM 353 O O . ASP A 1 44 ? 6.448 -2.221 8.865 1.00 60.19 44 A 1 ATOM 354 C CB . ASP A 1 44 ? 6.555 -4.864 10.794 1.00 61.05 44 A 1 ATOM 355 C CG . ASP A 1 44 ? 7.090 -5.482 12.099 1.00 57.83 44 A 1 ATOM 356 O OD1 . ASP A 1 44 ? 7.626 -4.737 12.947 1.00 55.85 44 A 1 ATOM 357 O OD2 . ASP A 1 44 ? 6.962 -6.720 12.242 1.00 55.42 44 A 1 ATOM 358 N N . LEU A 1 45 ? 4.399 -3.094 9.078 1.00 59.43 45 A 1 ATOM 359 C CA . LEU A 1 45 ? 3.899 -2.549 7.804 1.00 59.42 45 A 1 ATOM 360 C C . LEU A 1 45 ? 3.545 -1.060 7.906 1.00 60.15 45 A 1 ATOM 361 O O . LEU A 1 45 ? 3.569 -0.358 6.894 1.00 58.95 45 A 1 ATOM 362 C CB . LEU A 1 45 ? 2.668 -3.357 7.343 1.00 57.14 45 A 1 ATOM 363 C CG . LEU A 1 45 ? 3.032 -4.611 6.529 1.00 52.54 45 A 1 ATOM 364 C CD1 . LEU A 1 45 ? 1.858 -5.592 6.505 1.00 50.03 45 A 1 ATOM 365 C CD2 . LEU A 1 45 ? 3.358 -4.255 5.077 1.00 48.69 45 A 1 ATOM 366 N N . ILE A 1 46 ? 3.199 -0.569 9.096 1.00 55.63 46 A 1 ATOM 367 C CA . ILE A 1 46 ? 2.914 0.854 9.330 1.00 56.24 46 A 1 ATOM 368 C C . ILE A 1 46 ? 4.190 1.672 9.142 1.00 57.42 46 A 1 ATOM 369 O O . ILE A 1 46 ? 4.144 2.710 8.475 1.00 55.58 46 A 1 ATOM 370 C CB . ILE A 1 46 ? 2.289 1.081 10.730 1.00 54.61 46 A 1 ATOM 371 C CG1 . ILE A 1 46 ? 0.925 0.365 10.826 1.00 50.65 46 A 1 ATOM 372 C CG2 . ILE A 1 46 ? 2.132 2.581 11.034 1.00 49.70 46 A 1 ATOM 373 C CD1 . ILE A 1 46 ? 0.282 0.404 12.220 1.00 47.30 46 A 1 ATOM 374 N N . ASP A 1 47 ? 5.313 1.193 9.665 1.00 62.38 47 A 1 ATOM 375 C CA . ASP A 1 47 ? 6.594 1.889 9.555 1.00 64.43 47 A 1 ATOM 376 C C . ASP A 1 47 ? 7.087 1.921 8.100 1.00 65.33 47 A 1 ATOM 377 O O . ASP A 1 47 ? 7.381 3.001 7.582 1.00 64.33 47 A 1 ATOM 378 C CB . ASP A 1 47 ? 7.612 1.260 10.522 1.00 63.53 47 A 1 ATOM 379 C CG . ASP A 1 47 ? 7.359 1.613 12.000 1.00 61.07 47 A 1 ATOM 380 O OD1 . ASP A 1 47 ? 6.602 2.579 12.270 1.00 59.33 47 A 1 ATOM 381 O OD2 . ASP A 1 47 ? 7.977 0.952 12.866 1.00 58.47 47 A 1 ATOM 382 N N . GLU A 1 48 ? 7.041 0.795 7.376 1.00 64.98 48 A 1 ATOM 383 C CA . GLU A 1 48 ? 7.430 0.741 5.954 1.00 65.57 48 A 1 ATOM 384 C C . GLU A 1 48 ? 6.527 1.605 5.054 1.00 66.50 48 A 1 ATOM 385 O O . GLU A 1 48 ? 7.013 2.302 4.160 1.00 65.65 48 A 1 ATOM 386 C CB . GLU A 1 48 ? 7.411 -0.711 5.441 1.00 64.03 48 A 1 ATOM 387 C CG . GLU A 1 48 ? 8.631 -1.535 5.895 1.00 59.30 48 A 1 ATOM 388 C CD . GLU A 1 48 ? 8.698 -2.928 5.236 1.00 57.08 48 A 1 ATOM 389 O OE1 . GLU A 1 48 ? 9.781 -3.559 5.305 1.00 54.58 48 A 1 ATOM 390 O OE2 . GLU A 1 48 ? 7.691 -3.376 4.635 1.00 53.87 48 A 1 ATOM 391 N N . VAL A 1 49 ? 5.215 1.613 5.285 1.00 62.77 49 A 1 ATOM 392 C CA . VAL A 1 49 ? 4.270 2.446 4.519 1.00 62.60 49 A 1 ATOM 393 C C . VAL A 1 49 ? 4.454 3.926 4.854 1.00 63.69 49 A 1 ATOM 394 O O . VAL A 1 49 ? 4.386 4.766 3.957 1.00 62.48 49 A 1 ATOM 395 C CB . VAL A 1 49 ? 2.814 1.988 4.747 1.00 60.45 49 A 1 ATOM 396 C CG1 . VAL A 1 49 ? 1.776 2.953 4.149 1.00 55.75 49 A 1 ATOM 397 C CG2 . VAL A 1 49 ? 2.571 0.625 4.078 1.00 54.44 49 A 1 ATOM 398 N N . THR A 1 50 ? 4.718 4.267 6.117 1.00 61.71 50 A 1 ATOM 399 C CA . THR A 1 50 ? 4.972 5.652 6.545 1.00 62.38 50 A 1 ATOM 400 C C . THR A 1 50 ? 6.268 6.184 5.935 1.00 64.00 50 A 1 ATOM 401 O O . THR A 1 50 ? 6.292 7.315 5.444 1.00 62.76 50 A 1 ATOM 402 C CB . THR A 1 50 ? 5.010 5.757 8.077 1.00 60.29 50 A 1 ATOM 403 O OG1 . THR A 1 50 ? 3.786 5.292 8.610 1.00 54.74 50 A 1 ATOM 404 C CG2 . THR A 1 50 ? 5.154 7.199 8.572 1.00 53.25 50 A 1 ATOM 405 N N . GLU A 1 51 ? 7.315 5.357 5.881 1.00 65.57 51 A 1 ATOM 406 C CA . GLU A 1 51 ? 8.598 5.705 5.263 1.00 67.34 51 A 1 ATOM 407 C C . GLU A 1 51 ? 8.463 5.868 3.735 1.00 67.79 51 A 1 ATOM 408 O O . GLU A 1 51 ? 8.914 6.872 3.177 1.00 67.14 51 A 1 ATOM 409 C CB . GLU A 1 51 ? 9.640 4.653 5.680 1.00 67.28 51 A 1 ATOM 410 C CG . GLU A 1 51 ? 11.081 5.159 5.514 1.00 63.75 51 A 1 ATOM 411 C CD . GLU A 1 51 ? 12.134 4.232 6.158 1.00 63.47 51 A 1 ATOM 412 O OE1 . GLU A 1 51 ? 13.220 4.752 6.516 1.00 60.07 51 A 1 ATOM 413 O OE2 . GLU A 1 51 ? 11.879 3.016 6.265 1.00 60.34 51 A 1 ATOM 414 N N . LEU A 1 52 ? 7.730 4.976 3.059 1.00 66.76 52 A 1 ATOM 415 C CA . LEU A 1 52 ? 7.411 5.098 1.626 1.00 66.23 52 A 1 ATOM 416 C C . LEU A 1 52 ? 6.579 6.349 1.318 1.00 66.29 52 A 1 ATOM 417 O O . LEU A 1 52 ? 6.858 7.054 0.346 1.00 65.01 52 A 1 ATOM 418 C CB . LEU A 1 52 ? 6.666 3.826 1.166 1.00 64.99 52 A 1 ATOM 419 C CG . LEU A 1 52 ? 7.605 2.802 0.502 1.00 61.08 52 A 1 ATOM 420 C CD1 . LEU A 1 52 ? 7.064 1.383 0.652 1.00 58.49 52 A 1 ATOM 421 C CD2 . LEU A 1 52 ? 7.746 3.096 -0.990 1.00 57.68 52 A 1 ATOM 422 N N . VAL A 1 53 ? 5.579 6.669 2.138 1.00 64.01 53 A 1 ATOM 423 C CA . VAL A 1 53 ? 4.742 7.867 1.972 1.00 63.25 53 A 1 ATOM 424 C C . VAL A 1 53 ? 5.561 9.143 2.195 1.00 63.52 53 A 1 ATOM 425 O O . VAL A 1 53 ? 5.411 10.096 1.429 1.00 61.59 53 A 1 ATOM 426 C CB . VAL A 1 53 ? 3.513 7.802 2.903 1.00 61.20 53 A 1 ATOM 427 C CG1 . VAL A 1 53 ? 2.750 9.134 2.989 1.00 56.87 53 A 1 ATOM 428 C CG2 . VAL A 1 53 ? 2.508 6.756 2.390 1.00 55.65 53 A 1 ATOM 429 N N . ALA A 1 54 ? 6.461 9.161 3.178 1.00 62.72 54 A 1 ATOM 430 C CA . ALA A 1 54 ? 7.380 10.276 3.406 1.00 63.24 54 A 1 ATOM 431 C C . ALA A 1 54 ? 8.353 10.457 2.228 1.00 64.21 54 A 1 ATOM 432 O O . ALA A 1 54 ? 8.511 11.570 1.721 1.00 62.44 54 A 1 ATOM 433 C CB . ALA A 1 54 ? 8.119 10.043 4.730 1.00 60.97 54 A 1 ATOM 434 N N . GLU A 1 55 ? 8.923 9.367 1.703 1.00 64.77 55 A 1 ATOM 435 C CA . GLU A 1 55 ? 9.849 9.401 0.564 1.00 65.71 55 A 1 ATOM 436 C C . GLU A 1 55 ? 9.154 9.867 -0.733 1.00 65.49 55 A 1 ATOM 437 O O . GLU A 1 55 ? 9.718 10.636 -1.520 1.00 64.36 55 A 1 ATOM 438 C CB . GLU A 1 55 ? 10.490 8.011 0.393 1.00 65.48 55 A 1 ATOM 439 C CG . GLU A 1 55 ? 11.845 8.103 -0.322 1.00 61.21 55 A 1 ATOM 440 C CD . GLU A 1 55 ? 12.460 6.759 -0.734 1.00 60.63 55 A 1 ATOM 441 O OE1 . GLU A 1 55 ? 13.506 6.830 -1.437 1.00 57.95 55 A 1 ATOM 442 O OE2 . GLU A 1 55 ? 11.854 5.699 -0.551 1.00 57.39 55 A 1 ATOM 443 N N . TYR A 1 56 ? 7.894 9.473 -0.952 1.00 61.38 56 A 1 ATOM 444 C CA . TYR A 1 56 ? 7.091 9.960 -2.081 1.00 60.55 56 A 1 ATOM 445 C C . TYR A 1 56 ? 6.638 11.415 -1.908 1.00 60.08 56 A 1 ATOM 446 O O . TYR A 1 56 ? 6.576 12.145 -2.900 1.00 58.10 56 A 1 ATOM 447 C CB . TYR A 1 56 ? 5.888 9.036 -2.324 1.00 58.75 56 A 1 ATOM 448 C CG . TYR A 1 56 ? 6.154 7.975 -3.377 1.00 55.74 56 A 1 ATOM 449 C CD1 . TYR A 1 56 ? 5.893 8.249 -4.734 1.00 52.52 56 A 1 ATOM 450 C CD2 . TYR A 1 56 ? 6.668 6.718 -3.010 1.00 51.34 56 A 1 ATOM 451 C CE1 . TYR A 1 56 ? 6.138 7.268 -5.716 1.00 49.64 56 A 1 ATOM 452 C CE2 . TYR A 1 56 ? 6.919 5.735 -3.986 1.00 49.23 56 A 1 ATOM 453 C CZ . TYR A 1 56 ? 6.650 6.009 -5.342 1.00 48.63 56 A 1 ATOM 454 O OH . TYR A 1 56 ? 6.880 5.054 -6.287 1.00 48.04 56 A 1 ATOM 455 N N . ALA A 1 57 ? 6.357 11.867 -0.684 1.00 59.31 57 A 1 ATOM 456 C CA . ALA A 1 57 ? 6.049 13.268 -0.397 1.00 58.45 57 A 1 ATOM 457 C C . ALA A 1 57 ? 7.271 14.178 -0.623 1.00 58.86 57 A 1 ATOM 458 O O . ALA A 1 57 ? 7.136 15.251 -1.216 1.00 56.81 57 A 1 ATOM 459 C CB . ALA A 1 57 ? 5.508 13.376 1.037 1.00 56.06 57 A 1 ATOM 460 N N . GLU A 1 58 ? 8.467 13.738 -0.241 1.00 56.39 58 A 1 ATOM 461 C CA . GLU A 1 58 ? 9.713 14.475 -0.506 1.00 58.08 58 A 1 ATOM 462 C C . GLU A 1 58 ? 10.066 14.498 -2.002 1.00 58.15 58 A 1 ATOM 463 O O . GLU A 1 58 ? 10.388 15.558 -2.551 1.00 56.53 58 A 1 ATOM 464 C CB . GLU A 1 58 ? 10.871 13.882 0.306 1.00 57.42 58 A 1 ATOM 465 C CG . GLU A 1 58 ? 10.797 14.273 1.791 1.00 52.15 58 A 1 ATOM 466 C CD . GLU A 1 58 ? 12.076 13.903 2.569 1.00 49.68 58 A 1 ATOM 467 O OE1 . GLU A 1 58 ? 12.284 14.522 3.639 1.00 48.50 58 A 1 ATOM 468 O OE2 . GLU A 1 58 ? 12.861 13.055 2.077 1.00 47.82 58 A 1 ATOM 469 N N . LYS A 1 59 ? 9.933 13.371 -2.717 1.00 62.10 59 A 1 ATOM 470 C CA . LYS A 1 59 ? 10.195 13.302 -4.169 1.00 62.15 59 A 1 ATOM 471 C C . LYS A 1 59 ? 9.134 14.031 -5.001 1.00 60.03 59 A 1 ATOM 472 O O . LYS A 1 59 ? 9.456 14.566 -6.061 1.00 57.01 59 A 1 ATOM 473 C CB . LYS A 1 59 ? 10.349 11.836 -4.602 1.00 62.06 59 A 1 ATOM 474 C CG . LYS A 1 59 ? 11.691 11.253 -4.129 1.00 59.43 59 A 1 ATOM 475 C CD . LYS A 1 59 ? 11.812 9.756 -4.451 1.00 58.99 59 A 1 ATOM 476 C CE . LYS A 1 59 ? 13.153 9.238 -3.923 1.00 56.10 59 A 1 ATOM 477 N NZ . LYS A 1 59 ? 13.247 7.760 -3.942 1.00 52.60 59 A 1 ATOM 478 N N . GLY A 1 60 ? 7.889 14.126 -4.521 1.00 57.14 60 A 1 ATOM 479 C CA . GLY A 1 60 ? 6.803 14.893 -5.143 1.00 55.16 60 A 1 ATOM 480 C C . GLY A 1 60 ? 6.945 16.415 -5.005 1.00 53.91 60 A 1 ATOM 481 O O . GLY A 1 60 ? 6.268 17.158 -5.716 1.00 51.66 60 A 1 ATOM 482 N N . THR A 1 61 ? 7.847 16.907 -4.142 1.00 43.12 61 A 1 ATOM 483 C CA . THR A 1 61 ? 8.093 18.353 -3.944 1.00 44.08 61 A 1 ATOM 484 C C . THR A 1 61 ? 9.108 18.936 -4.942 1.00 43.94 61 A 1 ATOM 485 O O . THR A 1 61 ? 9.427 20.124 -4.900 1.00 42.53 61 A 1 ATOM 486 C CB . THR A 1 61 ? 8.462 18.656 -2.479 1.00 41.78 61 A 1 ATOM 487 O OG1 . THR A 1 61 ? 7.579 17.986 -1.600 1.00 38.25 61 A 1 ATOM 488 C CG2 . THR A 1 61 ? 8.304 20.138 -2.119 1.00 37.16 61 A 1 ATOM 489 N N . VAL A 1 62 ? 9.593 18.146 -5.910 1.00 35.71 62 A 1 ATOM 490 C CA . VAL A 1 62 ? 10.479 18.631 -6.984 1.00 37.00 62 A 1 ATOM 491 C C . VAL A 1 62 ? 9.762 18.581 -8.330 1.00 37.08 62 A 1 ATOM 492 O O . VAL A 1 62 ? 10.154 17.860 -9.243 1.00 36.08 62 A 1 ATOM 493 C CB . VAL A 1 62 ? 11.855 17.932 -6.986 1.00 35.33 62 A 1 ATOM 494 C CG1 . VAL A 1 62 ? 12.841 18.675 -7.907 1.00 31.51 62 A 1 ATOM 495 C CG2 . VAL A 1 62 ? 12.490 17.907 -5.586 1.00 32.05 62 A 1 ATOM 496 N N . ILE A 1 63 ? 8.718 19.401 -8.486 1.00 34.09 63 A 1 ATOM 497 C CA . ILE A 1 63 ? 8.356 19.936 -9.804 1.00 35.32 63 A 1 ATOM 498 C C . ILE A 1 63 ? 8.174 21.442 -9.643 1.00 34.66 63 A 1 ATOM 499 O O . ILE A 1 63 ? 7.135 21.934 -9.199 1.00 33.23 63 A 1 ATOM 500 C CB . ILE A 1 63 ? 7.138 19.236 -10.460 1.00 34.61 63 A 1 ATOM 501 C CG1 . ILE A 1 63 ? 7.341 17.701 -10.525 1.00 32.12 63 A 1 ATOM 502 C CG2 . ILE A 1 63 ? 6.947 19.815 -11.882 1.00 32.86 63 A 1 ATOM 503 C CD1 . ILE A 1 63 ? 6.200 16.924 -11.196 1.00 30.94 63 A 1 ATOM 504 N N . LYS A 1 64 ? 9.229 22.161 -9.969 1.00 33.84 64 A 1 ATOM 505 C CA . LYS A 1 64 ? 9.178 23.587 -10.317 1.00 36.05 64 A 1 ATOM 506 C C . LYS A 1 64 ? 9.187 23.715 -11.833 1.00 34.14 64 A 1 ATOM 507 O O . LYS A 1 64 ? 9.904 22.927 -12.477 1.00 32.30 64 A 1 ATOM 508 C CB . LYS A 1 64 ? 10.362 24.326 -9.671 1.00 35.10 64 A 1 ATOM 509 C CG . LYS A 1 64 ? 10.165 25.843 -9.717 1.00 31.74 64 A 1 ATOM 510 C CD . LYS A 1 64 ? 11.375 26.550 -9.109 1.00 29.96 64 A 1 ATOM 511 C CE . LYS A 1 64 ? 11.127 28.053 -9.065 1.00 27.09 64 A 1 ATOM 512 N NZ . LYS A 1 64 ? 12.297 28.761 -8.496 1.00 24.74 64 A 1 ATOM 513 O OXT . LYS A 1 64 ? 8.502 24.655 -12.301 1.00 32.21 64 A 1 #