# 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_tad8 # _entry.id tad8 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[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" "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 LEU 3 1 n PHE 4 1 n ARG 5 1 n ASN 6 1 n LYS 7 1 n GLU 8 1 n THR 9 1 n ASN 10 1 n LYS 11 1 n GLU 12 1 n ILE 13 1 n ALA 14 1 n GLU 15 1 n ARG 16 1 n LEU 17 1 n ILE 18 1 n LYS 19 1 n LEU 20 1 n THR 21 1 n ASP 22 1 n GLY 23 1 n LYS 24 1 n ASP 25 1 n TYR 26 1 n GLY 27 1 n ILE 28 1 n PHE 29 1 n ALA 30 1 n PRO 31 1 n PRO 32 1 n MET 33 1 n LYS 34 1 n ALA 35 1 n GLN 36 1 n VAL 37 1 n ALA 38 1 n VAL 39 1 n ASP 40 1 n GLU 41 1 n LEU 42 1 n CYS 43 1 n ARG 44 1 n TYR 45 1 n PHE 46 1 n LEU 47 1 n GLY 48 1 n GLU 49 1 n ASP 50 1 n TRP 51 1 n TYR 52 1 n SER 53 1 n VAL 54 1 n ASN 55 1 n PRO 56 1 n ILE 57 1 n SER 58 1 n ASN 59 1 n GLU 60 1 n GLN 61 1 n ILE 62 1 n ASN 63 1 n THR 64 1 n GLU 65 1 n ILE 66 1 n VAL 67 1 n TYR 68 1 n GLU 69 1 n ILE 70 1 n GLU 71 1 n CYS 72 1 n ARG 73 1 n PHE 74 1 n LYS 75 1 n LYS 76 1 n ILE 77 1 n LYS 78 1 n ARG 79 1 n GLY 80 # _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 @ 2025-04-07 01:10:53)" _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 86.42 _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 31.93 1 1 A LYS 2 2 36.13 1 2 A LEU 3 2 37.87 1 3 A PHE 4 2 45.03 1 4 A ARG 5 2 39.76 1 5 A ASN 6 2 58.69 1 6 A LYS 7 2 68.17 1 7 A GLU 8 2 86.72 1 8 A THR 9 2 93.84 1 9 A ASN 10 2 92.92 1 10 A LYS 11 2 89.11 1 11 A GLU 12 2 91.94 1 12 A ILE 13 2 94.29 1 13 A ALA 14 2 93.39 1 14 A GLU 15 2 89.16 1 15 A ARG 16 2 91.58 1 16 A LEU 17 2 95.50 1 17 A ILE 18 2 90.94 1 18 A LYS 19 2 91.72 1 19 A LEU 20 2 96.92 1 20 A THR 21 2 96.06 1 21 A ASP 22 2 92.16 1 22 A GLY 23 2 90.74 1 23 A LYS 24 2 91.58 1 24 A ASP 25 2 91.83 1 25 A TYR 26 2 94.68 1 26 A GLY 27 2 93.89 1 27 A ILE 28 2 90.39 1 28 A PHE 29 2 94.09 1 29 A ALA 30 2 95.40 1 30 A PRO 31 2 95.92 1 31 A PRO 32 2 96.78 1 32 A MET 33 2 96.09 1 33 A LYS 34 2 91.59 1 34 A ALA 35 2 97.50 1 35 A GLN 36 2 96.66 1 36 A VAL 37 2 98.05 1 37 A ALA 38 2 98.23 1 38 A VAL 39 2 98.15 1 39 A ASP 40 2 96.45 1 40 A GLU 41 2 94.84 1 41 A LEU 42 2 96.73 1 42 A CYS 43 2 97.32 1 43 A ARG 44 2 89.91 1 44 A TYR 45 2 92.84 1 45 A PHE 46 2 94.05 1 46 A LEU 47 2 95.91 1 47 A GLY 48 2 95.21 1 48 A GLU 49 2 85.15 1 49 A ASP 50 2 90.71 1 50 A TRP 51 2 97.11 1 51 A TYR 52 2 91.15 1 52 A SER 53 2 95.69 1 53 A VAL 54 2 93.74 1 54 A ASN 55 2 93.42 1 55 A PRO 56 2 96.22 1 56 A ILE 57 2 96.33 1 57 A SER 58 2 96.82 1 58 A ASN 59 2 90.52 1 59 A GLU 60 2 92.18 1 60 A GLN 61 2 96.54 1 61 A ILE 62 2 96.38 1 62 A ASN 63 2 97.79 1 63 A THR 64 2 97.81 1 64 A GLU 65 2 95.78 1 65 A ILE 66 2 98.25 1 66 A VAL 67 2 97.63 1 67 A TYR 68 2 95.98 1 68 A GLU 69 2 90.48 1 69 A ILE 70 2 96.11 1 70 A GLU 71 2 93.48 1 71 A CYS 72 2 94.42 1 72 A ARG 73 2 87.55 1 73 A PHE 74 2 90.21 1 74 A LYS 75 2 80.37 1 75 A LYS 76 2 63.29 1 76 A ILE 77 2 60.74 1 77 A LYS 78 2 53.01 1 78 A ARG 79 2 46.12 1 79 A GLY 80 2 47.39 1 80 # _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 LEU . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n LYS . 7 A 7 A 8 1 n GLU . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n LYS . 11 A 11 A 12 1 n GLU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n ARG . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n LYS . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n LYS . 24 A 24 A 25 1 n ASP . 25 A 25 A 26 1 n TYR . 26 A 26 A 27 1 n GLY . 27 A 27 A 28 1 n ILE . 28 A 28 A 29 1 n PHE . 29 A 29 A 30 1 n ALA . 30 A 30 A 31 1 n PRO . 31 A 31 A 32 1 n PRO . 32 A 32 A 33 1 n MET . 33 A 33 A 34 1 n LYS . 34 A 34 A 35 1 n ALA . 35 A 35 A 36 1 n GLN . 36 A 36 A 37 1 n VAL . 37 A 37 A 38 1 n ALA . 38 A 38 A 39 1 n VAL . 39 A 39 A 40 1 n ASP . 40 A 40 A 41 1 n GLU . 41 A 41 A 42 1 n LEU . 42 A 42 A 43 1 n CYS . 43 A 43 A 44 1 n ARG . 44 A 44 A 45 1 n TYR . 45 A 45 A 46 1 n PHE . 46 A 46 A 47 1 n LEU . 47 A 47 A 48 1 n GLY . 48 A 48 A 49 1 n GLU . 49 A 49 A 50 1 n ASP . 50 A 50 A 51 1 n TRP . 51 A 51 A 52 1 n TYR . 52 A 52 A 53 1 n SER . 53 A 53 A 54 1 n VAL . 54 A 54 A 55 1 n ASN . 55 A 55 A 56 1 n PRO . 56 A 56 A 57 1 n ILE . 57 A 57 A 58 1 n SER . 58 A 58 A 59 1 n ASN . 59 A 59 A 60 1 n GLU . 60 A 60 A 61 1 n GLN . 61 A 61 A 62 1 n ILE . 62 A 62 A 63 1 n ASN . 63 A 63 A 64 1 n THR . 64 A 64 A 65 1 n GLU . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n VAL . 67 A 67 A 68 1 n TYR . 68 A 68 A 69 1 n GLU . 69 A 69 A 70 1 n ILE . 70 A 70 A 71 1 n GLU . 71 A 71 A 72 1 n CYS . 72 A 72 A 73 1 n ARG . 73 A 73 A 74 1 n PHE . 74 A 74 A 75 1 n LYS . 75 A 75 A 76 1 n LYS . 76 A 76 A 77 1 n ILE . 77 A 77 A 78 1 n LYS . 78 A 78 A 79 1 n ARG . 79 A 79 A 80 1 n GLY . 80 A 80 # _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 ? -2.802 -5.160 20.968 1.00 30.69 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.348 -4.647 19.657 1.00 34.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.503 -4.868 18.688 1.00 36.96 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.761 -6.015 18.343 1.00 35.64 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.048 -5.376 19.248 1.00 34.78 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.280 -4.673 18.121 1.00 30.35 1 A 1 ATOM 7 S SD . MET A 1 1 ? 1.467 -5.186 18.064 1.00 27.21 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.373 -6.646 16.992 1.00 24.90 1 A 1 ATOM 9 N N . LYS A 1 2 ? -4.309 -3.836 18.380 1.00 39.19 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -5.430 -3.971 17.428 1.00 42.57 2 A 1 ATOM 11 C C . LYS A 1 2 ? -4.821 -4.120 16.034 1.00 44.10 2 A 1 ATOM 12 O O . LYS A 1 2 ? -4.260 -3.166 15.513 1.00 42.37 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -6.391 -2.766 17.505 1.00 40.18 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -7.391 -2.844 18.676 1.00 34.86 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -8.355 -1.635 18.680 1.00 31.05 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -9.395 -1.736 19.806 1.00 26.89 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -10.297 -0.550 19.854 1.00 23.93 2 A 1 ATOM 18 N N . LEU A 1 3 ? -4.875 -5.330 15.477 1.00 40.48 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -4.616 -5.567 14.065 1.00 41.61 3 A 1 ATOM 20 C C . LEU A 1 3 ? -5.687 -4.771 13.301 1.00 42.97 3 A 1 ATOM 21 O O . LEU A 1 3 ? -6.865 -5.130 13.358 1.00 40.49 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -4.705 -7.089 13.775 1.00 38.42 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -3.539 -7.653 12.945 1.00 34.87 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -2.331 -7.946 13.836 1.00 31.10 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -3.950 -8.959 12.263 1.00 33.05 3 A 1 ATOM 26 N N . PHE A 1 4 ? -5.307 -3.662 12.664 1.00 49.73 4 A 1 ATOM 27 C CA . PHE A 1 4 ? -6.174 -3.012 11.690 1.00 50.70 4 A 1 ATOM 28 C C . PHE A 1 4 ? -6.336 -4.000 10.533 1.00 50.94 4 A 1 ATOM 29 O O . PHE A 1 4 ? -5.490 -4.097 9.657 1.00 48.67 4 A 1 ATOM 30 C CB . PHE A 1 4 ? -5.585 -1.664 11.255 1.00 47.67 4 A 1 ATOM 31 C CG . PHE A 1 4 ? -5.739 -0.554 12.287 1.00 45.81 4 A 1 ATOM 32 C CD1 . PHE A 1 4 ? -6.917 0.223 12.311 1.00 42.46 4 A 1 ATOM 33 C CD2 . PHE A 1 4 ? -4.711 -0.283 13.208 1.00 41.71 4 A 1 ATOM 34 C CE1 . PHE A 1 4 ? -7.061 1.267 13.245 1.00 39.22 4 A 1 ATOM 35 C CE2 . PHE A 1 4 ? -4.861 0.757 14.147 1.00 39.11 4 A 1 ATOM 36 C CZ . PHE A 1 4 ? -6.033 1.535 14.163 1.00 39.26 4 A 1 ATOM 37 N N . ARG A 1 5 ? -7.392 -4.828 10.594 1.00 47.33 5 A 1 ATOM 38 C CA . ARG A 1 5 ? -7.831 -5.608 9.439 1.00 50.20 5 A 1 ATOM 39 C C . ARG A 1 5 ? -8.284 -4.591 8.396 1.00 52.63 5 A 1 ATOM 40 O O . ARG A 1 5 ? -9.359 -4.015 8.548 1.00 49.85 5 A 1 ATOM 41 C CB . ARG A 1 5 ? -8.973 -6.576 9.816 1.00 45.88 5 A 1 ATOM 42 C CG . ARG A 1 5 ? -8.484 -7.997 10.119 1.00 39.43 5 A 1 ATOM 43 C CD . ARG A 1 5 ? -9.676 -8.899 10.478 1.00 35.72 5 A 1 ATOM 44 N NE . ARG A 1 5 ? -9.318 -10.331 10.456 1.00 32.58 5 A 1 ATOM 45 C CZ . ARG A 1 5 ? -10.085 -11.339 10.839 1.00 28.88 5 A 1 ATOM 46 N NH1 . ARG A 1 5 ? -11.268 -11.151 11.358 1.00 27.95 5 A 1 ATOM 47 N NH2 . ARG A 1 5 ? -9.682 -12.569 10.698 1.00 26.93 5 A 1 ATOM 48 N N . ASN A 1 6 ? -7.466 -4.380 7.360 1.00 62.92 6 A 1 ATOM 49 C CA . ASN A 1 6 ? -7.961 -3.771 6.130 1.00 64.34 6 A 1 ATOM 50 C C . ASN A 1 6 ? -9.201 -4.563 5.708 1.00 68.11 6 A 1 ATOM 51 O O . ASN A 1 6 ? -9.160 -5.793 5.620 1.00 66.54 6 A 1 ATOM 52 C CB . ASN A 1 6 ? -6.864 -3.737 5.046 1.00 58.70 6 A 1 ATOM 53 C CG . ASN A 1 6 ? -6.043 -2.454 5.090 1.00 52.86 6 A 1 ATOM 54 O OD1 . ASN A 1 6 ? -6.438 -1.467 5.680 1.00 49.10 6 A 1 ATOM 55 N ND2 . ASN A 1 6 ? -4.894 -2.418 4.465 1.00 46.93 6 A 1 ATOM 56 N N . LYS A 1 7 ? -10.324 -3.864 5.552 1.00 79.12 7 A 1 ATOM 57 C CA . LYS A 1 7 ? -11.622 -4.473 5.217 1.00 81.13 7 A 1 ATOM 58 C C . LYS A 1 7 ? -11.687 -4.930 3.754 1.00 85.83 7 A 1 ATOM 59 O O . LYS A 1 7 ? -12.627 -5.623 3.395 1.00 82.34 7 A 1 ATOM 60 C CB . LYS A 1 7 ? -12.761 -3.493 5.525 1.00 72.94 7 A 1 ATOM 61 C CG . LYS A 1 7 ? -12.997 -3.261 7.029 1.00 62.18 7 A 1 ATOM 62 C CD . LYS A 1 7 ? -14.182 -2.300 7.211 1.00 57.27 7 A 1 ATOM 63 C CE . LYS A 1 7 ? -14.496 -2.052 8.688 1.00 49.76 7 A 1 ATOM 64 N NZ . LYS A 1 7 ? -15.592 -1.055 8.838 1.00 42.99 7 A 1 ATOM 65 N N . GLU A 1 8 ? -10.703 -4.545 2.933 1.00 89.00 8 A 1 ATOM 66 C CA . GLU A 1 8 ? -10.625 -4.902 1.520 1.00 90.91 8 A 1 ATOM 67 C C . GLU A 1 8 ? -10.343 -6.402 1.337 1.00 92.20 8 A 1 ATOM 68 O O . GLU A 1 8 ? -9.442 -6.979 1.953 1.00 90.84 8 A 1 ATOM 69 C CB . GLU A 1 8 ? -9.537 -4.083 0.801 1.00 88.91 8 A 1 ATOM 70 C CG . GLU A 1 8 ? -9.842 -2.581 0.714 1.00 83.57 8 A 1 ATOM 71 C CD . GLU A 1 8 ? -8.714 -1.831 -0.027 1.00 85.40 8 A 1 ATOM 72 O OE1 . GLU A 1 8 ? -8.975 -1.223 -1.083 1.00 78.57 8 A 1 ATOM 73 O OE2 . GLU A 1 8 ? -7.543 -1.857 0.442 1.00 81.07 8 A 1 ATOM 74 N N . THR A 1 9 ? -11.091 -7.025 0.438 1.00 94.33 9 A 1 ATOM 75 C CA . THR A 1 9 ? -10.808 -8.365 -0.085 1.00 94.90 9 A 1 ATOM 76 C C . THR A 1 9 ? -9.617 -8.326 -1.049 1.00 95.26 9 A 1 ATOM 77 O O . THR A 1 9 ? -9.302 -7.297 -1.648 1.00 94.86 9 A 1 ATOM 78 C CB . THR A 1 9 ? -12.033 -8.951 -0.802 1.00 94.93 9 A 1 ATOM 79 O OG1 . THR A 1 9 ? -12.359 -8.178 -1.926 1.00 92.48 9 A 1 ATOM 80 C CG2 . THR A 1 9 ? -13.268 -9.052 0.094 1.00 90.13 9 A 1 ATOM 81 N N . ASN A 1 10 ? -8.978 -9.484 -1.301 1.00 95.39 10 A 1 ATOM 82 C CA . ASN A 1 10 ? -7.880 -9.575 -2.280 1.00 95.21 10 A 1 ATOM 83 C C . ASN A 1 10 ? -8.292 -9.093 -3.684 1.00 95.21 10 A 1 ATOM 84 O O . ASN A 1 10 ? -7.471 -8.555 -4.423 1.00 94.57 10 A 1 ATOM 85 C CB . ASN A 1 10 ? -7.384 -11.031 -2.359 1.00 94.52 10 A 1 ATOM 86 C CG . ASN A 1 10 ? -6.694 -11.514 -1.096 1.00 92.73 10 A 1 ATOM 87 O OD1 . ASN A 1 10 ? -6.353 -10.764 -0.198 1.00 88.14 10 A 1 ATOM 88 N ND2 . ASN A 1 10 ? -6.472 -12.800 -0.976 1.00 87.56 10 A 1 ATOM 89 N N . LYS A 1 11 ? -9.570 -9.270 -4.043 1.00 95.58 11 A 1 ATOM 90 C CA . LYS A 1 11 ? -10.121 -8.796 -5.315 1.00 95.47 11 A 1 ATOM 91 C C . LYS A 1 11 ? -10.187 -7.266 -5.361 1.00 95.48 11 A 1 ATOM 92 O O . LYS A 1 11 ? -9.712 -6.676 -6.326 1.00 95.12 11 A 1 ATOM 93 C CB . LYS A 1 11 ? -11.491 -9.449 -5.547 1.00 95.28 11 A 1 ATOM 94 C CG . LYS A 1 11 ? -12.053 -9.054 -6.913 1.00 88.68 11 A 1 ATOM 95 C CD . LYS A 1 11 ? -13.431 -9.682 -7.169 1.00 85.74 11 A 1 ATOM 96 C CE . LYS A 1 11 ? -13.950 -9.082 -8.474 1.00 80.48 11 A 1 ATOM 97 N NZ . LYS A 1 11 ? -15.339 -9.487 -8.787 1.00 70.18 11 A 1 ATOM 98 N N . GLU A 1 12 ? -10.699 -6.628 -4.312 1.00 95.50 12 A 1 ATOM 99 C CA . GLU A 1 12 ? -10.771 -5.160 -4.221 1.00 95.22 12 A 1 ATOM 100 C C . GLU A 1 12 ? -9.375 -4.528 -4.206 1.00 95.30 12 A 1 ATOM 101 O O . GLU A 1 12 ? -9.143 -3.516 -4.868 1.00 94.80 12 A 1 ATOM 102 C CB . GLU A 1 12 ? -11.532 -4.769 -2.951 1.00 95.06 12 A 1 ATOM 103 C CG . GLU A 1 12 ? -13.037 -5.091 -3.041 1.00 92.57 12 A 1 ATOM 104 C CD . GLU A 1 12 ? -13.714 -5.153 -1.662 1.00 90.42 12 A 1 ATOM 105 O OE1 . GLU A 1 12 ? -14.888 -4.756 -1.548 1.00 84.04 12 A 1 ATOM 106 O OE2 . GLU A 1 12 ? -13.076 -5.720 -0.742 1.00 84.58 12 A 1 ATOM 107 N N . ILE A 1 13 ? -8.402 -5.156 -3.515 1.00 95.48 13 A 1 ATOM 108 C CA . ILE A 1 13 ? -6.997 -4.738 -3.547 1.00 95.19 13 A 1 ATOM 109 C C . ILE A 1 13 ? -6.461 -4.785 -4.981 1.00 95.14 13 A 1 ATOM 110 O O . ILE A 1 13 ? -5.893 -3.806 -5.455 1.00 94.78 13 A 1 ATOM 111 C CB . ILE A 1 13 ? -6.142 -5.611 -2.593 1.00 94.87 13 A 1 ATOM 112 C CG1 . ILE A 1 13 ? -6.554 -5.366 -1.123 1.00 93.93 13 A 1 ATOM 113 C CG2 . ILE A 1 13 ? -4.638 -5.331 -2.769 1.00 93.92 13 A 1 ATOM 114 C CD1 . ILE A 1 13 ? -5.978 -6.383 -0.128 1.00 91.03 13 A 1 ATOM 115 N N . ALA A 1 14 ? -6.652 -5.899 -5.693 1.00 94.03 14 A 1 ATOM 116 C CA . ALA A 1 14 ? -6.183 -6.046 -7.071 1.00 93.39 14 A 1 ATOM 117 C C . ALA A 1 14 ? -6.816 -5.001 -8.010 1.00 93.63 14 A 1 ATOM 118 O O . ALA A 1 14 ? -6.102 -4.328 -8.751 1.00 93.26 14 A 1 ATOM 119 C CB . ALA A 1 14 ? -6.465 -7.478 -7.541 1.00 92.62 14 A 1 ATOM 120 N N . GLU A 1 15 ? -8.133 -4.806 -7.937 1.00 92.78 15 A 1 ATOM 121 C CA . GLU A 1 15 ? -8.852 -3.809 -8.744 1.00 93.08 15 A 1 ATOM 122 C C . GLU A 1 15 ? -8.375 -2.376 -8.467 1.00 93.83 15 A 1 ATOM 123 O O . GLU A 1 15 ? -8.240 -1.569 -9.390 1.00 93.67 15 A 1 ATOM 124 C CB . GLU A 1 15 ? -10.357 -3.908 -8.458 1.00 92.90 15 A 1 ATOM 125 C CG . GLU A 1 15 ? -11.002 -5.159 -9.082 1.00 88.62 15 A 1 ATOM 126 C CD . GLU A 1 15 ? -12.492 -5.321 -8.722 1.00 85.32 15 A 1 ATOM 127 O OE1 . GLU A 1 15 ? -13.080 -6.344 -9.158 1.00 81.09 15 A 1 ATOM 128 O OE2 . GLU A 1 15 ? -13.052 -4.451 -8.021 1.00 81.15 15 A 1 ATOM 129 N N . ARG A 1 16 ? -8.090 -2.049 -7.208 1.00 95.20 16 A 1 ATOM 130 C CA . ARG A 1 16 ? -7.555 -0.742 -6.822 1.00 95.26 16 A 1 ATOM 131 C C . ARG A 1 16 ? -6.131 -0.539 -7.339 1.00 95.98 16 A 1 ATOM 132 O O . ARG A 1 16 ? -5.854 0.506 -7.918 1.00 95.79 16 A 1 ATOM 133 C CB . ARG A 1 16 ? -7.647 -0.601 -5.296 1.00 94.60 16 A 1 ATOM 134 C CG . ARG A 1 16 ? -7.195 0.781 -4.816 1.00 92.29 16 A 1 ATOM 135 C CD . ARG A 1 16 ? -7.407 0.957 -3.308 1.00 91.90 16 A 1 ATOM 136 N NE . ARG A 1 16 ? -6.814 -0.126 -2.495 1.00 89.38 16 A 1 ATOM 137 C CZ . ARG A 1 16 ? -5.544 -0.425 -2.411 1.00 90.71 16 A 1 ATOM 138 N NH1 . ARG A 1 16 ? -4.647 0.240 -3.055 1.00 82.46 16 A 1 ATOM 139 N NH2 . ARG A 1 16 ? -5.141 -1.412 -1.664 1.00 83.81 16 A 1 ATOM 140 N N . LEU A 1 17 ? -5.252 -1.534 -7.194 1.00 95.83 17 A 1 ATOM 141 C CA . LEU A 1 17 ? -3.868 -1.449 -7.677 1.00 96.17 17 A 1 ATOM 142 C C . LEU A 1 17 ? -3.793 -1.323 -9.202 1.00 96.39 17 A 1 ATOM 143 O O . LEU A 1 17 ? -2.994 -0.537 -9.699 1.00 96.04 17 A 1 ATOM 144 C CB . LEU A 1 17 ? -3.066 -2.665 -7.195 1.00 96.10 17 A 1 ATOM 145 C CG . LEU A 1 17 ? -2.787 -2.697 -5.680 1.00 95.38 17 A 1 ATOM 146 C CD1 . LEU A 1 17 ? -2.023 -3.973 -5.341 1.00 94.10 17 A 1 ATOM 147 C CD2 . LEU A 1 17 ? -1.957 -1.506 -5.207 1.00 93.95 17 A 1 ATOM 148 N N . ILE A 1 18 ? -4.646 -2.026 -9.953 1.00 95.32 18 A 1 ATOM 149 C CA . ILE A 1 18 ? -4.711 -1.906 -11.418 1.00 94.85 18 A 1 ATOM 150 C C . ILE A 1 18 ? -5.027 -0.466 -11.844 1.00 95.73 18 A 1 ATOM 151 O O . ILE A 1 18 ? -4.428 0.034 -12.794 1.00 95.69 18 A 1 ATOM 152 C CB . ILE A 1 18 ? -5.717 -2.927 -11.998 1.00 93.44 18 A 1 ATOM 153 C CG1 . ILE A 1 18 ? -5.123 -4.353 -11.898 1.00 88.84 18 A 1 ATOM 154 C CG2 . ILE A 1 18 ? -6.072 -2.618 -13.469 1.00 87.76 18 A 1 ATOM 155 C CD1 . ILE A 1 18 ? -6.153 -5.471 -12.117 1.00 75.86 18 A 1 ATOM 156 N N . LYS A 1 19 ? -5.899 0.251 -11.115 1.00 95.65 19 A 1 ATOM 157 C CA . LYS A 1 19 ? -6.222 1.666 -11.400 1.00 95.99 19 A 1 ATOM 158 C C . LYS A 1 19 ? -5.042 2.624 -11.198 1.00 96.80 19 A 1 ATOM 159 O O . LYS A 1 19 ? -5.081 3.737 -11.710 1.00 96.49 19 A 1 ATOM 160 C CB . LYS A 1 19 ? -7.400 2.118 -10.528 1.00 95.46 19 A 1 ATOM 161 C CG . LYS A 1 19 ? -8.712 1.419 -10.899 1.00 92.95 19 A 1 ATOM 162 C CD . LYS A 1 19 ? -9.785 1.734 -9.851 1.00 89.78 19 A 1 ATOM 163 C CE . LYS A 1 19 ? -11.046 0.920 -10.147 1.00 85.13 19 A 1 ATOM 164 N NZ . LYS A 1 19 ? -12.078 1.115 -9.099 1.00 77.27 19 A 1 ATOM 165 N N . LEU A 1 20 ? -4.009 2.217 -10.453 1.00 97.37 20 A 1 ATOM 166 C CA . LEU A 1 20 ? -2.788 3.000 -10.224 1.00 97.56 20 A 1 ATOM 167 C C . LEU A 1 20 ? -1.714 2.770 -11.298 1.00 97.83 20 A 1 ATOM 168 O O . LEU A 1 20 ? -0.667 3.415 -11.279 1.00 97.28 20 A 1 ATOM 169 C CB . LEU A 1 20 ? -2.237 2.681 -8.822 1.00 97.45 20 A 1 ATOM 170 C CG . LEU A 1 20 ? -3.197 2.968 -7.653 1.00 96.79 20 A 1 ATOM 171 C CD1 . LEU A 1 20 ? -2.516 2.579 -6.340 1.00 95.64 20 A 1 ATOM 172 C CD2 . LEU A 1 20 ? -3.595 4.441 -7.577 1.00 95.42 20 A 1 ATOM 173 N N . THR A 1 21 ? -1.952 1.858 -12.234 1.00 97.36 21 A 1 ATOM 174 C CA . THR A 1 21 ? -1.030 1.525 -13.327 1.00 97.06 21 A 1 ATOM 175 C C . THR A 1 21 ? -1.355 2.324 -14.591 1.00 96.61 21 A 1 ATOM 176 O O . THR A 1 21 ? -2.211 3.210 -14.586 1.00 95.17 21 A 1 ATOM 177 C CB . THR A 1 21 ? -1.016 0.018 -13.594 1.00 96.74 21 A 1 ATOM 178 O OG1 . THR A 1 21 ? -2.199 -0.402 -14.235 1.00 95.04 21 A 1 ATOM 179 C CG2 . THR A 1 21 ? -0.815 -0.814 -12.328 1.00 94.45 21 A 1 ATOM 180 N N . ASP A 1 22 ? -0.686 2.028 -15.697 1.00 96.19 22 A 1 ATOM 181 C CA . ASP A 1 22 ? -0.939 2.686 -16.986 1.00 94.13 22 A 1 ATOM 182 C C . ASP A 1 22 ? -2.276 2.294 -17.651 1.00 92.91 22 A 1 ATOM 183 O O . ASP A 1 22 ? -2.614 2.823 -18.714 1.00 89.18 22 A 1 ATOM 184 C CB . ASP A 1 22 ? 0.275 2.488 -17.914 1.00 92.87 22 A 1 ATOM 185 C CG . ASP A 1 22 ? 0.401 1.093 -18.535 1.00 92.70 22 A 1 ATOM 186 O OD1 . ASP A 1 22 ? -0.330 0.161 -18.131 1.00 89.89 22 A 1 ATOM 187 O OD2 . ASP A 1 22 ? 1.201 0.988 -19.496 1.00 89.37 22 A 1 ATOM 188 N N . GLY A 1 23 ? -3.039 1.388 -17.038 1.00 93.31 23 A 1 ATOM 189 C CA . GLY A 1 23 ? -4.365 0.964 -17.487 1.00 90.56 23 A 1 ATOM 190 C C . GLY A 1 23 ? -4.383 0.099 -18.748 1.00 91.32 23 A 1 ATOM 191 O O . GLY A 1 23 ? -5.461 -0.149 -19.290 1.00 87.77 23 A 1 ATOM 192 N N . LYS A 1 24 ? -3.227 -0.350 -19.235 1.00 93.16 24 A 1 ATOM 193 C CA . LYS A 1 24 ? -3.138 -1.234 -20.407 1.00 93.69 24 A 1 ATOM 194 C C . LYS A 1 24 ? -3.280 -2.699 -20.010 1.00 94.32 24 A 1 ATOM 195 O O . LYS A 1 24 ? -2.986 -3.089 -18.880 1.00 93.48 24 A 1 ATOM 196 C CB . LYS A 1 24 ? -1.825 -1.008 -21.159 1.00 93.66 24 A 1 ATOM 197 C CG . LYS A 1 24 ? -1.698 0.421 -21.688 1.00 92.85 24 A 1 ATOM 198 C CD . LYS A 1 24 ? -0.345 0.572 -22.375 1.00 90.87 24 A 1 ATOM 199 C CE . LYS A 1 24 ? -0.118 2.031 -22.747 1.00 88.90 24 A 1 ATOM 200 N NZ . LYS A 1 24 ? 1.301 2.229 -23.111 1.00 83.27 24 A 1 ATOM 201 N N . ASP A 1 25 ? -3.704 -3.520 -20.978 1.00 93.74 25 A 1 ATOM 202 C CA . ASP A 1 25 ? -3.748 -4.971 -20.823 1.00 94.03 25 A 1 ATOM 203 C C . ASP A 1 25 ? -2.379 -5.583 -21.155 1.00 94.99 25 A 1 ATOM 204 O O . ASP A 1 25 ? -1.833 -5.371 -22.239 1.00 94.49 25 A 1 ATOM 205 C CB . ASP A 1 25 ? -4.880 -5.551 -21.683 1.00 92.47 25 A 1 ATOM 206 C CG . ASP A 1 25 ? -5.110 -7.047 -21.440 1.00 90.85 25 A 1 ATOM 207 O OD1 . ASP A 1 25 ? -4.442 -7.620 -20.548 1.00 88.10 25 A 1 ATOM 208 O OD2 . ASP A 1 25 ? -5.957 -7.620 -22.155 1.00 85.98 25 A 1 ATOM 209 N N . TYR A 1 26 ? -1.826 -6.339 -20.211 1.00 95.02 26 A 1 ATOM 210 C CA . TYR A 1 26 ? -0.564 -7.076 -20.318 1.00 95.73 26 A 1 ATOM 211 C C . TYR A 1 26 ? -0.791 -8.597 -20.269 1.00 95.70 26 A 1 ATOM 212 O O . TYR A 1 26 ? 0.137 -9.371 -20.000 1.00 93.56 26 A 1 ATOM 213 C CB . TYR A 1 26 ? 0.424 -6.573 -19.257 1.00 95.56 26 A 1 ATOM 214 C CG . TYR A 1 26 ? 0.953 -5.174 -19.532 1.00 95.96 26 A 1 ATOM 215 C CD1 . TYR A 1 26 ? 2.158 -5.008 -20.243 1.00 94.48 26 A 1 ATOM 216 C CD2 . TYR A 1 26 ? 0.231 -4.048 -19.108 1.00 94.63 26 A 1 ATOM 217 C CE1 . TYR A 1 26 ? 2.638 -3.717 -20.532 1.00 93.93 26 A 1 ATOM 218 C CE2 . TYR A 1 26 ? 0.703 -2.755 -19.402 1.00 94.16 26 A 1 ATOM 219 C CZ . TYR A 1 26 ? 1.908 -2.588 -20.117 1.00 94.45 26 A 1 ATOM 220 O OH . TYR A 1 26 ? 2.363 -1.344 -20.415 1.00 93.00 26 A 1 ATOM 221 N N . GLY A 1 27 ? -2.014 -9.057 -20.520 1.00 94.86 27 A 1 ATOM 222 C CA . GLY A 1 27 ? -2.394 -10.463 -20.495 1.00 94.04 27 A 1 ATOM 223 C C . GLY A 1 27 ? -2.254 -11.063 -19.093 1.00 94.26 27 A 1 ATOM 224 O O . GLY A 1 27 ? -2.903 -10.628 -18.152 1.00 92.39 27 A 1 ATOM 225 N N . ILE A 1 28 ? -1.388 -12.073 -18.956 1.00 94.89 28 A 1 ATOM 226 C CA . ILE A 1 28 ? -1.170 -12.769 -17.674 1.00 94.39 28 A 1 ATOM 227 C C . ILE A 1 28 ? -0.221 -12.027 -16.719 1.00 94.53 28 A 1 ATOM 228 O O . ILE A 1 28 ? -0.047 -12.453 -15.577 1.00 93.30 28 A 1 ATOM 229 C CB . ILE A 1 28 ? -0.683 -14.220 -17.913 1.00 93.24 28 A 1 ATOM 230 C CG1 . ILE A 1 28 ? 0.700 -14.256 -18.599 1.00 86.92 28 A 1 ATOM 231 C CG2 . ILE A 1 28 ? -1.743 -15.006 -18.717 1.00 84.83 28 A 1 ATOM 232 C CD1 . ILE A 1 28 ? 1.325 -15.659 -18.660 1.00 81.04 28 A 1 ATOM 233 N N . PHE A 1 29 ? 0.442 -10.953 -17.180 1.00 95.78 29 A 1 ATOM 234 C CA . PHE A 1 29 ? 1.428 -10.213 -16.397 1.00 96.09 29 A 1 ATOM 235 C C . PHE A 1 29 ? 0.811 -8.989 -15.723 1.00 95.85 29 A 1 ATOM 236 O O . PHE A 1 29 ? -0.142 -8.390 -16.216 1.00 94.86 29 A 1 ATOM 237 C CB . PHE A 1 29 ? 2.626 -9.835 -17.276 1.00 95.79 29 A 1 ATOM 238 C CG . PHE A 1 29 ? 3.342 -11.032 -17.879 1.00 95.44 29 A 1 ATOM 239 C CD1 . PHE A 1 29 ? 4.099 -11.891 -17.061 1.00 92.31 29 A 1 ATOM 240 C CD2 . PHE A 1 29 ? 3.237 -11.298 -19.258 1.00 92.78 29 A 1 ATOM 241 C CE1 . PHE A 1 29 ? 4.744 -13.012 -17.616 1.00 91.72 29 A 1 ATOM 242 C CE2 . PHE A 1 29 ? 3.885 -12.417 -19.813 1.00 92.09 29 A 1 ATOM 243 C CZ . PHE A 1 29 ? 4.639 -13.275 -18.991 1.00 92.31 29 A 1 ATOM 244 N N . ALA A 1 30 ? 1.387 -8.597 -14.578 1.00 95.77 30 A 1 ATOM 245 C CA . ALA A 1 30 ? 0.987 -7.378 -13.890 1.00 95.49 30 A 1 ATOM 246 C C . ALA A 1 30 ? 1.355 -6.140 -14.733 1.00 96.13 30 A 1 ATOM 247 O O . ALA A 1 30 ? 2.472 -6.075 -15.258 1.00 95.64 30 A 1 ATOM 248 C CB . ALA A 1 30 ? 1.646 -7.336 -12.505 1.00 93.96 30 A 1 ATOM 249 N N . PRO A 1 31 ? 0.456 -5.138 -14.853 1.00 96.42 31 A 1 ATOM 250 C CA . PRO A 1 31 ? 0.775 -3.893 -15.537 1.00 96.54 31 A 1 ATOM 251 C C . PRO A 1 31 ? 1.826 -3.088 -14.753 1.00 97.01 31 A 1 ATOM 252 O O . PRO A 1 31 ? 1.880 -3.167 -13.519 1.00 96.70 31 A 1 ATOM 253 C CB . PRO A 1 31 ? -0.559 -3.160 -15.672 1.00 95.54 31 A 1 ATOM 254 C CG . PRO A 1 31 ? -1.372 -3.685 -14.490 1.00 93.69 31 A 1 ATOM 255 C CD . PRO A 1 31 ? -0.899 -5.122 -14.336 1.00 95.53 31 A 1 ATOM 256 N N . PRO A 1 32 ? 2.679 -2.290 -15.437 1.00 97.29 32 A 1 ATOM 257 C CA . PRO A 1 32 ? 3.728 -1.512 -14.793 1.00 97.38 32 A 1 ATOM 258 C C . PRO A 1 32 ? 3.144 -0.384 -13.934 1.00 97.60 32 A 1 ATOM 259 O O . PRO A 1 32 ? 2.210 0.318 -14.329 1.00 97.17 32 A 1 ATOM 260 C CB . PRO A 1 32 ? 4.597 -0.971 -15.936 1.00 96.54 32 A 1 ATOM 261 C CG . PRO A 1 32 ? 3.610 -0.871 -17.096 1.00 94.85 32 A 1 ATOM 262 C CD . PRO A 1 32 ? 2.691 -2.066 -16.871 1.00 96.66 32 A 1 ATOM 263 N N . MET A 1 33 ? 3.753 -0.159 -12.771 1.00 97.53 33 A 1 ATOM 264 C CA . MET A 1 33 ? 3.448 0.943 -11.860 1.00 97.65 33 A 1 ATOM 265 C C . MET A 1 33 ? 4.677 1.846 -11.732 1.00 97.92 33 A 1 ATOM 266 O O . MET A 1 33 ? 5.804 1.366 -11.613 1.00 97.62 33 A 1 ATOM 267 C CB . MET A 1 33 ? 2.996 0.364 -10.512 1.00 96.90 33 A 1 ATOM 268 C CG . MET A 1 33 ? 2.540 1.446 -9.529 1.00 95.37 33 A 1 ATOM 269 S SD . MET A 1 33 ? 1.981 0.805 -7.923 1.00 95.09 33 A 1 ATOM 270 C CE . MET A 1 33 ? 0.445 -0.028 -8.407 1.00 90.62 33 A 1 ATOM 271 N N . LYS A 1 34 ? 4.482 3.172 -11.754 1.00 97.67 34 A 1 ATOM 272 C CA . LYS A 1 34 ? 5.578 4.122 -11.526 1.00 97.62 34 A 1 ATOM 273 C C . LYS A 1 34 ? 6.092 3.997 -10.089 1.00 97.90 34 A 1 ATOM 274 O O . LYS A 1 34 ? 5.299 3.843 -9.166 1.00 97.80 34 A 1 ATOM 275 C CB . LYS A 1 34 ? 5.132 5.561 -11.813 1.00 97.14 34 A 1 ATOM 276 C CG . LYS A 1 34 ? 4.833 5.803 -13.302 1.00 93.15 34 A 1 ATOM 277 C CD . LYS A 1 34 ? 4.445 7.271 -13.518 1.00 88.73 34 A 1 ATOM 278 C CE . LYS A 1 34 ? 4.145 7.529 -14.997 1.00 82.19 34 A 1 ATOM 279 N NZ . LYS A 1 34 ? 3.741 8.940 -15.228 1.00 72.15 34 A 1 ATOM 280 N N . ALA A 1 35 ? 7.415 4.140 -9.899 1.00 97.70 35 A 1 ATOM 281 C CA . ALA A 1 35 ? 8.052 4.007 -8.586 1.00 97.58 35 A 1 ATOM 282 C C . ALA A 1 35 ? 7.424 4.923 -7.518 1.00 97.80 35 A 1 ATOM 283 O O . ALA A 1 35 ? 7.113 4.453 -6.430 1.00 97.58 35 A 1 ATOM 284 C CB . ALA A 1 35 ? 9.554 4.283 -8.743 1.00 96.86 35 A 1 ATOM 285 N N . GLN A 1 36 ? 7.164 6.203 -7.856 1.00 97.94 36 A 1 ATOM 286 C CA . GLN A 1 36 ? 6.524 7.133 -6.917 1.00 98.03 36 A 1 ATOM 287 C C . GLN A 1 36 ? 5.123 6.661 -6.512 1.00 98.10 36 A 1 ATOM 288 O O . GLN A 1 36 ? 4.817 6.621 -5.327 1.00 97.92 36 A 1 ATOM 289 C CB . GLN A 1 36 ? 6.481 8.546 -7.520 1.00 97.75 36 A 1 ATOM 290 C CG . GLN A 1 36 ? 6.040 9.597 -6.489 1.00 96.58 36 A 1 ATOM 291 C CD . GLN A 1 36 ? 6.986 9.649 -5.290 1.00 96.96 36 A 1 ATOM 292 O OE1 . GLN A 1 36 ? 8.196 9.769 -5.441 1.00 93.68 36 A 1 ATOM 293 N NE2 . GLN A 1 36 ? 6.496 9.509 -4.078 1.00 92.98 36 A 1 ATOM 294 N N . VAL A 1 37 ? 4.309 6.214 -7.473 1.00 98.29 37 A 1 ATOM 295 C CA . VAL A 1 37 ? 2.955 5.698 -7.197 1.00 98.28 37 A 1 ATOM 296 C C . VAL A 1 37 ? 3.013 4.479 -6.271 1.00 98.32 37 A 1 ATOM 297 O O . VAL A 1 37 ? 2.183 4.343 -5.379 1.00 98.09 37 A 1 ATOM 298 C CB . VAL A 1 37 ? 2.235 5.341 -8.513 1.00 98.16 37 A 1 ATOM 299 C CG1 . VAL A 1 37 ? 0.837 4.757 -8.281 1.00 97.65 37 A 1 ATOM 300 C CG2 . VAL A 1 37 ? 2.077 6.571 -9.418 1.00 97.58 37 A 1 ATOM 301 N N . ALA A 1 38 ? 4.012 3.605 -6.451 1.00 98.40 38 A 1 ATOM 302 C CA . ALA A 1 38 ? 4.216 2.461 -5.565 1.00 98.31 38 A 1 ATOM 303 C C . ALA A 1 38 ? 4.588 2.897 -4.134 1.00 98.31 38 A 1 ATOM 304 O O . ALA A 1 38 ? 4.056 2.343 -3.175 1.00 98.05 38 A 1 ATOM 305 C CB . ALA A 1 38 ? 5.282 1.540 -6.178 1.00 98.10 38 A 1 ATOM 306 N N . VAL A 1 39 ? 5.470 3.896 -3.988 1.00 98.38 39 A 1 ATOM 307 C CA . VAL A 1 39 ? 5.836 4.444 -2.669 1.00 98.45 39 A 1 ATOM 308 C C . VAL A 1 39 ? 4.626 5.093 -1.990 1.00 98.39 39 A 1 ATOM 309 O O . VAL A 1 39 ? 4.373 4.815 -0.819 1.00 98.16 39 A 1 ATOM 310 C CB . VAL A 1 39 ? 7.013 5.435 -2.779 1.00 98.34 39 A 1 ATOM 311 C CG1 . VAL A 1 39 ? 7.313 6.132 -1.444 1.00 97.70 39 A 1 ATOM 312 C CG2 . VAL A 1 39 ? 8.298 4.704 -3.200 1.00 97.64 39 A 1 ATOM 313 N N . ASP A 1 40 ? 3.848 5.889 -2.723 1.00 98.30 40 A 1 ATOM 314 C CA . ASP A 1 40 ? 2.647 6.554 -2.204 1.00 97.96 40 A 1 ATOM 315 C C . ASP A 1 40 ? 1.597 5.527 -1.742 1.00 97.78 40 A 1 ATOM 316 O O . ASP A 1 40 ? 1.005 5.658 -0.667 1.00 97.31 40 A 1 ATOM 317 C CB . ASP A 1 40 ? 2.050 7.471 -3.288 1.00 97.57 40 A 1 ATOM 318 C CG . ASP A 1 40 ? 2.966 8.616 -3.749 1.00 96.03 40 A 1 ATOM 319 O OD1 . ASP A 1 40 ? 3.918 8.976 -3.020 1.00 93.58 40 A 1 ATOM 320 O OD2 . ASP A 1 40 ? 2.721 9.120 -4.873 1.00 93.05 40 A 1 ATOM 321 N N . GLU A 1 41 ? 1.413 4.453 -2.504 1.00 97.78 41 A 1 ATOM 322 C CA . GLU A 1 41 ? 0.498 3.367 -2.141 1.00 97.47 41 A 1 ATOM 323 C C . GLU A 1 41 ? 0.977 2.592 -0.901 1.00 97.31 41 A 1 ATOM 324 O O . GLU A 1 41 ? 0.174 2.253 -0.027 1.00 96.59 41 A 1 ATOM 325 C CB . GLU A 1 41 ? 0.324 2.453 -3.366 1.00 97.08 41 A 1 ATOM 326 C CG . GLU A 1 41 ? -0.564 1.233 -3.095 1.00 94.20 41 A 1 ATOM 327 C CD . GLU A 1 41 ? -1.932 1.572 -2.496 1.00 94.07 41 A 1 ATOM 328 O OE1 . GLU A 1 41 ? -2.470 0.692 -1.776 1.00 88.96 41 A 1 ATOM 329 O OE2 . GLU A 1 41 ? -2.512 2.645 -2.751 1.00 90.14 41 A 1 ATOM 330 N N . LEU A 1 42 ? 2.288 2.344 -0.778 1.00 97.56 42 A 1 ATOM 331 C CA . LEU A 1 42 ? 2.861 1.740 0.429 1.00 97.48 42 A 1 ATOM 332 C C . LEU A 1 42 ? 2.716 2.668 1.643 1.00 97.32 42 A 1 ATOM 333 O O . LEU A 1 42 ? 2.382 2.196 2.731 1.00 96.92 42 A 1 ATOM 334 C CB . LEU A 1 42 ? 4.338 1.383 0.185 1.00 97.35 42 A 1 ATOM 335 C CG . LEU A 1 42 ? 4.561 0.194 -0.770 1.00 96.52 42 A 1 ATOM 336 C CD1 . LEU A 1 42 ? 6.056 0.065 -1.068 1.00 95.33 42 A 1 ATOM 337 C CD2 . LEU A 1 42 ? 4.078 -1.133 -0.180 1.00 95.37 42 A 1 ATOM 338 N N . CYS A 1 43 ? 2.915 3.975 1.464 1.00 97.62 43 A 1 ATOM 339 C CA . CYS A 1 43 ? 2.660 4.980 2.494 1.00 97.60 43 A 1 ATOM 340 C C . CYS A 1 43 ? 1.209 4.901 2.982 1.00 96.95 43 A 1 ATOM 341 O O . CYS A 1 43 ? 0.975 4.692 4.177 1.00 96.43 43 A 1 ATOM 342 C CB . CYS A 1 43 ? 2.993 6.365 1.924 1.00 97.84 43 A 1 ATOM 343 S SG . CYS A 1 43 ? 2.693 7.621 3.200 1.00 97.50 43 A 1 ATOM 344 N N . ARG A 1 44 ? 0.245 4.962 2.062 1.00 96.90 44 A 1 ATOM 345 C CA . ARG A 1 44 ? -1.187 4.831 2.365 1.00 95.98 44 A 1 ATOM 346 C C . ARG A 1 44 ? -1.493 3.539 3.128 1.00 95.46 44 A 1 ATOM 347 O O . ARG A 1 44 ? -2.211 3.553 4.122 1.00 94.56 44 A 1 ATOM 348 C CB . ARG A 1 44 ? -1.969 4.881 1.041 1.00 95.17 44 A 1 ATOM 349 C CG . ARG A 1 44 ? -3.480 5.015 1.257 1.00 93.18 44 A 1 ATOM 350 C CD . ARG A 1 44 ? -4.248 4.606 -0.011 1.00 91.38 44 A 1 ATOM 351 N NE . ARG A 1 44 ? -4.220 3.135 -0.201 1.00 87.37 44 A 1 ATOM 352 C CZ . ARG A 1 44 ? -4.957 2.237 0.443 1.00 84.95 44 A 1 ATOM 353 N NH1 . ARG A 1 44 ? -5.891 2.572 1.289 1.00 77.03 44 A 1 ATOM 354 N NH2 . ARG A 1 44 ? -4.752 0.970 0.249 1.00 77.01 44 A 1 ATOM 355 N N . TYR A 1 45 ? -0.930 2.412 2.674 1.00 95.98 45 A 1 ATOM 356 C CA . TYR A 1 45 ? -1.184 1.101 3.275 1.00 95.26 45 A 1 ATOM 357 C C . TYR A 1 45 ? -0.617 0.969 4.696 1.00 95.19 45 A 1 ATOM 358 O O . TYR A 1 45 ? -1.294 0.454 5.589 1.00 94.32 45 A 1 ATOM 359 C CB . TYR A 1 45 ? -0.625 0.010 2.354 1.00 94.66 45 A 1 ATOM 360 C CG . TYR A 1 45 ? -0.878 -1.392 2.871 1.00 93.90 45 A 1 ATOM 361 C CD1 . TYR A 1 45 ? 0.100 -2.056 3.642 1.00 91.89 45 A 1 ATOM 362 C CD2 . TYR A 1 45 ? -2.112 -2.025 2.617 1.00 92.03 45 A 1 ATOM 363 C CE1 . TYR A 1 45 ? -0.157 -3.340 4.158 1.00 90.70 45 A 1 ATOM 364 C CE2 . TYR A 1 45 ? -2.370 -3.308 3.131 1.00 90.67 45 A 1 ATOM 365 C CZ . TYR A 1 45 ? -1.395 -3.965 3.906 1.00 90.68 45 A 1 ATOM 366 O OH . TYR A 1 45 ? -1.650 -5.203 4.420 1.00 88.86 45 A 1 ATOM 367 N N . PHE A 1 46 ? 0.630 1.408 4.915 1.00 95.37 46 A 1 ATOM 368 C CA . PHE A 1 46 ? 1.337 1.205 6.184 1.00 95.19 46 A 1 ATOM 369 C C . PHE A 1 46 ? 1.145 2.343 7.191 1.00 95.30 46 A 1 ATOM 370 O O . PHE A 1 46 ? 1.132 2.089 8.401 1.00 94.46 46 A 1 ATOM 371 C CB . PHE A 1 46 ? 2.831 0.987 5.907 1.00 94.84 46 A 1 ATOM 372 C CG . PHE A 1 46 ? 3.186 -0.387 5.366 1.00 94.60 46 A 1 ATOM 373 C CD1 . PHE A 1 46 ? 3.063 -1.516 6.196 1.00 93.19 46 A 1 ATOM 374 C CD2 . PHE A 1 46 ? 3.661 -0.541 4.052 1.00 93.61 46 A 1 ATOM 375 C CE1 . PHE A 1 46 ? 3.403 -2.792 5.715 1.00 92.61 46 A 1 ATOM 376 C CE2 . PHE A 1 46 ? 4.001 -1.818 3.570 1.00 92.68 46 A 1 ATOM 377 C CZ . PHE A 1 46 ? 3.870 -2.944 4.399 1.00 92.75 46 A 1 ATOM 378 N N . LEU A 1 47 ? 1.041 3.584 6.718 1.00 95.84 47 A 1 ATOM 379 C CA . LEU A 1 47 ? 0.998 4.771 7.579 1.00 96.04 47 A 1 ATOM 380 C C . LEU A 1 47 ? -0.419 5.337 7.731 1.00 95.64 47 A 1 ATOM 381 O O . LEU A 1 47 ? -0.711 5.930 8.768 1.00 94.86 47 A 1 ATOM 382 C CB . LEU A 1 47 ? 2.016 5.819 7.092 1.00 96.59 47 A 1 ATOM 383 C CG . LEU A 1 47 ? 3.464 5.306 6.946 1.00 96.28 47 A 1 ATOM 384 C CD1 . LEU A 1 47 ? 4.387 6.461 6.562 1.00 96.09 47 A 1 ATOM 385 C CD2 . LEU A 1 47 ? 4.006 4.686 8.239 1.00 95.95 47 A 1 ATOM 386 N N . GLY A 1 48 ? -1.306 5.070 6.782 1.00 95.36 48 A 1 ATOM 387 C CA . GLY A 1 48 ? -2.702 5.508 6.753 1.00 94.91 48 A 1 ATOM 388 C C . GLY A 1 48 ? -2.994 6.494 5.622 1.00 95.53 48 A 1 ATOM 389 O O . GLY A 1 48 ? -2.088 7.111 5.068 1.00 95.03 48 A 1 ATOM 390 N N . GLU A 1 49 ? -4.276 6.640 5.277 1.00 94.35 49 A 1 ATOM 391 C CA . GLU A 1 49 ? -4.738 7.499 4.170 1.00 94.01 49 A 1 ATOM 392 C C . GLU A 1 49 ? -4.497 8.991 4.445 1.00 94.99 49 A 1 ATOM 393 O O . GLU A 1 49 ? -4.232 9.743 3.519 1.00 93.74 49 A 1 ATOM 394 C CB . GLU A 1 49 ? -6.225 7.230 3.879 1.00 91.59 49 A 1 ATOM 395 C CG . GLU A 1 49 ? -6.423 5.785 3.381 1.00 82.68 49 A 1 ATOM 396 C CD . GLU A 1 49 ? -7.853 5.408 2.972 1.00 76.99 49 A 1 ATOM 397 O OE1 . GLU A 1 49 ? -7.965 4.309 2.365 1.00 70.10 49 A 1 ATOM 398 O OE2 . GLU A 1 49 ? -8.808 6.147 3.282 1.00 67.92 49 A 1 ATOM 399 N N . ASP A 1 50 ? -4.504 9.382 5.717 1.00 95.08 50 A 1 ATOM 400 C CA . ASP A 1 50 ? -4.328 10.773 6.152 1.00 95.07 50 A 1 ATOM 401 C C . ASP A 1 50 ? -2.862 11.138 6.458 1.00 95.87 50 A 1 ATOM 402 O O . ASP A 1 50 ? -2.586 12.199 7.025 1.00 94.86 50 A 1 ATOM 403 C CB . ASP A 1 50 ? -5.219 11.039 7.374 1.00 93.69 50 A 1 ATOM 404 C CG . ASP A 1 50 ? -6.700 10.735 7.138 1.00 87.21 50 A 1 ATOM 405 O OD1 . ASP A 1 50 ? -7.246 11.189 6.113 1.00 81.85 50 A 1 ATOM 406 O OD2 . ASP A 1 50 ? -7.279 10.050 8.011 1.00 82.04 50 A 1 ATOM 407 N N . TRP A 1 51 ? -1.896 10.252 6.137 1.00 97.03 51 A 1 ATOM 408 C CA . TRP A 1 51 ? -0.486 10.550 6.387 1.00 97.37 51 A 1 ATOM 409 C C . TRP A 1 51 ? 0.014 11.641 5.430 1.00 97.32 51 A 1 ATOM 410 O O . TRP A 1 51 ? -0.197 11.564 4.218 1.00 96.72 51 A 1 ATOM 411 C CB . TRP A 1 51 ? 0.379 9.289 6.292 1.00 97.52 51 A 1 ATOM 412 C CG . TRP A 1 51 ? 1.820 9.517 6.661 1.00 97.46 51 A 1 ATOM 413 C CD1 . TRP A 1 51 ? 2.364 9.291 7.880 1.00 96.86 51 A 1 ATOM 414 C CD2 . TRP A 1 51 ? 2.901 10.059 5.841 1.00 97.54 51 A 1 ATOM 415 N NE1 . TRP A 1 51 ? 3.699 9.644 7.869 1.00 96.94 51 A 1 ATOM 416 C CE2 . TRP A 1 51 ? 4.080 10.130 6.638 1.00 97.32 51 A 1 ATOM 417 C CE3 . TRP A 1 51 ? 3.009 10.504 4.509 1.00 97.37 51 A 1 ATOM 418 C CZ2 . TRP A 1 51 ? 5.302 10.621 6.143 1.00 96.74 51 A 1 ATOM 419 C CZ3 . TRP A 1 51 ? 4.229 11.004 4.002 1.00 96.75 51 A 1 ATOM 420 C CH2 . TRP A 1 51 ? 5.369 11.060 4.812 1.00 96.60 51 A 1 ATOM 421 N N . TYR A 1 52 ? 0.722 12.634 5.972 1.00 96.50 52 A 1 ATOM 422 C CA . TYR A 1 52 ? 1.372 13.676 5.181 1.00 95.97 52 A 1 ATOM 423 C C . TYR A 1 52 ? 2.586 14.238 5.931 1.00 96.10 52 A 1 ATOM 424 O O . TYR A 1 52 ? 2.630 14.228 7.162 1.00 95.59 52 A 1 ATOM 425 C CB . TYR A 1 52 ? 0.368 14.793 4.842 1.00 95.01 52 A 1 ATOM 426 C CG . TYR A 1 52 ? -0.173 15.565 6.033 1.00 92.87 52 A 1 ATOM 427 C CD1 . TYR A 1 52 ? -1.247 15.046 6.786 1.00 90.29 52 A 1 ATOM 428 C CD2 . TYR A 1 52 ? 0.393 16.798 6.396 1.00 89.99 52 A 1 ATOM 429 C CE1 . TYR A 1 52 ? -1.745 15.750 7.897 1.00 85.62 52 A 1 ATOM 430 C CE2 . TYR A 1 52 ? -0.100 17.509 7.510 1.00 87.10 52 A 1 ATOM 431 C CZ . TYR A 1 52 ? -1.169 16.979 8.263 1.00 86.33 52 A 1 ATOM 432 O OH . TYR A 1 52 ? -1.640 17.661 9.344 1.00 82.47 52 A 1 ATOM 433 N N . SER A 1 53 ? 3.571 14.757 5.177 1.00 96.38 53 A 1 ATOM 434 C CA . SER A 1 53 ? 4.654 15.572 5.730 1.00 96.38 53 A 1 ATOM 435 C C . SER A 1 53 ? 4.252 17.048 5.693 1.00 96.33 53 A 1 ATOM 436 O O . SER A 1 53 ? 3.708 17.531 4.702 1.00 94.96 53 A 1 ATOM 437 C CB . SER A 1 53 ? 5.966 15.343 4.972 1.00 95.96 53 A 1 ATOM 438 O OG . SER A 1 53 ? 6.993 16.103 5.585 1.00 94.11 53 A 1 ATOM 439 N N . VAL A 1 54 ? 4.522 17.779 6.782 1.00 96.21 54 A 1 ATOM 440 C CA . VAL A 1 54 ? 4.336 19.242 6.858 1.00 95.86 54 A 1 ATOM 441 C C . VAL A 1 54 ? 5.569 20.010 6.382 1.00 96.12 54 A 1 ATOM 442 O O . VAL A 1 54 ? 5.550 21.235 6.304 1.00 94.62 54 A 1 ATOM 443 C CB . VAL A 1 54 ? 3.933 19.696 8.278 1.00 94.72 54 A 1 ATOM 444 C CG1 . VAL A 1 54 ? 2.576 19.108 8.679 1.00 89.51 54 A 1 ATOM 445 C CG2 . VAL A 1 54 ? 4.976 19.322 9.337 1.00 89.12 54 A 1 ATOM 446 N N . ASN A 1 55 ? 6.672 19.305 6.094 1.00 96.21 55 A 1 ATOM 447 C CA . ASN A 1 55 ? 7.947 19.912 5.743 1.00 95.98 55 A 1 ATOM 448 C C . ASN A 1 55 ? 7.943 20.376 4.274 1.00 96.52 55 A 1 ATOM 449 O O . ASN A 1 55 ? 7.537 19.619 3.398 1.00 95.76 55 A 1 ATOM 450 C CB . ASN A 1 55 ? 9.076 18.910 6.037 1.00 95.00 55 A 1 ATOM 451 C CG . ASN A 1 55 ? 9.205 18.578 7.512 1.00 93.51 55 A 1 ATOM 452 O OD1 . ASN A 1 55 ? 9.104 19.446 8.372 1.00 87.24 55 A 1 ATOM 453 N ND2 . ASN A 1 55 ? 9.445 17.331 7.852 1.00 87.15 55 A 1 ATOM 454 N N . PRO A 1 56 ? 8.444 21.593 3.963 1.00 96.90 56 A 1 ATOM 455 C CA . PRO A 1 56 ? 8.556 22.091 2.591 1.00 96.95 56 A 1 ATOM 456 C C . PRO A 1 56 ? 9.802 21.501 1.905 1.00 97.26 56 A 1 ATOM 457 O O . PRO A 1 56 ? 10.791 22.193 1.667 1.00 95.80 56 A 1 ATOM 458 C CB . PRO A 1 56 ? 8.592 23.616 2.745 1.00 96.21 56 A 1 ATOM 459 C CG . PRO A 1 56 ? 9.349 23.803 4.059 1.00 94.12 56 A 1 ATOM 460 C CD . PRO A 1 56 ? 8.877 22.618 4.907 1.00 96.27 56 A 1 ATOM 461 N N . ILE A 1 57 ? 9.783 20.199 1.640 1.00 97.40 57 A 1 ATOM 462 C CA . ILE A 1 57 ? 10.910 19.412 1.123 1.00 97.50 57 A 1 ATOM 463 C C . ILE A 1 57 ? 10.559 18.738 -0.210 1.00 97.71 57 A 1 ATOM 464 O O . ILE A 1 57 ? 9.407 18.738 -0.630 1.00 97.34 57 A 1 ATOM 465 C CB . ILE A 1 57 ? 11.398 18.398 2.186 1.00 96.97 57 A 1 ATOM 466 C CG1 . ILE A 1 57 ? 10.273 17.416 2.592 1.00 95.90 57 A 1 ATOM 467 C CG2 . ILE A 1 57 ? 12.002 19.142 3.386 1.00 93.82 57 A 1 ATOM 468 C CD1 . ILE A 1 57 ? 10.708 16.357 3.617 1.00 94.01 57 A 1 ATOM 469 N N . SER A 1 58 ? 11.560 18.165 -0.895 1.00 97.11 58 A 1 ATOM 470 C CA . SER A 1 58 ? 11.345 17.478 -2.172 1.00 97.07 58 A 1 ATOM 471 C C . SER A 1 58 ? 10.633 16.131 -1.992 1.00 97.26 58 A 1 ATOM 472 O O . SER A 1 58 ? 10.641 15.543 -0.909 1.00 97.09 58 A 1 ATOM 473 C CB . SER A 1 58 ? 12.665 17.324 -2.946 1.00 96.72 58 A 1 ATOM 474 O OG . SER A 1 58 ? 13.359 16.133 -2.621 1.00 95.67 58 A 1 ATOM 475 N N . ASN A 1 59 ? 10.064 15.595 -3.081 1.00 97.21 59 A 1 ATOM 476 C CA . ASN A 1 59 ? 9.421 14.278 -3.064 1.00 97.07 59 A 1 ATOM 477 C C . ASN A 1 59 ? 10.392 13.169 -2.628 1.00 97.76 59 A 1 ATOM 478 O O . ASN A 1 59 ? 10.015 12.274 -1.883 1.00 97.52 59 A 1 ATOM 479 C CB . ASN A 1 59 ? 8.852 13.965 -4.458 1.00 95.56 59 A 1 ATOM 480 C CG . ASN A 1 59 ? 7.632 14.794 -4.818 1.00 85.90 59 A 1 ATOM 481 O OD1 . ASN A 1 59 ? 6.980 15.414 -4.000 1.00 76.62 59 A 1 ATOM 482 N ND2 . ASN A 1 59 ? 7.276 14.829 -6.079 1.00 76.53 59 A 1 ATOM 483 N N . GLU A 1 60 ? 11.663 13.235 -3.027 1.00 97.06 60 A 1 ATOM 484 C CA . GLU A 1 60 ? 12.685 12.255 -2.640 1.00 97.28 60 A 1 ATOM 485 C C . GLU A 1 60 ? 12.993 12.312 -1.137 1.00 97.75 60 A 1 ATOM 486 O O . GLU A 1 60 ? 13.254 11.278 -0.516 1.00 97.50 60 A 1 ATOM 487 C CB . GLU A 1 60 ? 13.983 12.475 -3.432 1.00 96.73 60 A 1 ATOM 488 C CG . GLU A 1 60 ? 13.850 12.391 -4.965 1.00 93.07 60 A 1 ATOM 489 C CD . GLU A 1 60 ? 13.239 13.638 -5.634 1.00 89.56 60 A 1 ATOM 490 O OE1 . GLU A 1 60 ? 12.966 13.554 -6.852 1.00 80.47 60 A 1 ATOM 491 O OE2 . GLU A 1 60 ? 13.031 14.663 -4.933 1.00 80.23 60 A 1 ATOM 492 N N . GLN A 1 61 ? 12.937 13.504 -0.537 1.00 98.16 61 A 1 ATOM 493 C CA . GLN A 1 61 ? 13.071 13.664 0.911 1.00 98.33 61 A 1 ATOM 494 C C . GLN A 1 61 ? 11.836 13.117 1.640 1.00 98.39 61 A 1 ATOM 495 O O . GLN A 1 61 ? 11.986 12.396 2.627 1.00 98.18 61 A 1 ATOM 496 C CB . GLN A 1 61 ? 13.309 15.141 1.255 1.00 98.24 61 A 1 ATOM 497 C CG . GLN A 1 61 ? 14.672 15.651 0.765 1.00 97.21 61 A 1 ATOM 498 C CD . GLN A 1 61 ? 14.830 17.144 1.046 1.00 96.64 61 A 1 ATOM 499 O OE1 . GLN A 1 61 ? 14.128 17.992 0.520 1.00 92.84 61 A 1 ATOM 500 N NE2 . GLN A 1 61 ? 15.757 17.530 1.894 1.00 90.85 61 A 1 ATOM 501 N N . ILE A 1 62 ? 10.626 13.378 1.116 1.00 98.18 62 A 1 ATOM 502 C CA . ILE A 1 62 ? 9.376 12.804 1.642 1.00 98.16 62 A 1 ATOM 503 C C . ILE A 1 62 ? 9.414 11.272 1.568 1.00 98.40 62 A 1 ATOM 504 O O . ILE A 1 62 ? 9.071 10.603 2.543 1.00 98.36 62 A 1 ATOM 505 C CB . ILE A 1 62 ? 8.150 13.388 0.899 1.00 97.73 62 A 1 ATOM 506 C CG1 . ILE A 1 62 ? 8.015 14.900 1.200 1.00 95.53 62 A 1 ATOM 507 C CG2 . ILE A 1 62 ? 6.855 12.653 1.301 1.00 96.04 62 A 1 ATOM 508 C CD1 . ILE A 1 62 ? 6.985 15.628 0.325 1.00 88.64 62 A 1 ATOM 509 N N . ASN A 1 63 ? 9.910 10.693 0.467 1.00 98.45 63 A 1 ATOM 510 C CA . ASN A 1 63 ? 10.087 9.241 0.349 1.00 98.51 63 A 1 ATOM 511 C C . ASN A 1 63 ? 10.997 8.683 1.456 1.00 98.54 63 A 1 ATOM 512 O O . ASN A 1 63 ? 10.750 7.596 1.976 1.00 98.41 63 A 1 ATOM 513 C CB . ASN A 1 63 ? 10.666 8.902 -1.035 1.00 98.35 63 A 1 ATOM 514 C CG . ASN A 1 63 ? 9.693 9.138 -2.178 1.00 98.03 63 A 1 ATOM 515 O OD1 . ASN A 1 63 ? 8.495 9.284 -2.005 1.00 96.07 63 A 1 ATOM 516 N ND2 . ASN A 1 63 ? 10.184 9.138 -3.398 1.00 95.97 63 A 1 ATOM 517 N N . THR A 1 64 ? 12.035 9.433 1.845 1.00 98.54 64 A 1 ATOM 518 C CA . THR A 1 64 ? 12.919 9.049 2.957 1.00 98.50 64 A 1 ATOM 519 C C . THR A 1 64 ? 12.166 9.039 4.292 1.00 98.43 64 A 1 ATOM 520 O O . THR A 1 64 ? 12.311 8.088 5.061 1.00 98.14 64 A 1 ATOM 521 C CB . THR A 1 64 ? 14.144 9.975 3.037 1.00 98.31 64 A 1 ATOM 522 O OG1 . THR A 1 64 ? 14.826 9.995 1.798 1.00 96.64 64 A 1 ATOM 523 C CG2 . THR A 1 64 ? 15.153 9.526 4.094 1.00 96.13 64 A 1 ATOM 524 N N . GLU A 1 65 ? 11.323 10.047 4.558 1.00 98.30 65 A 1 ATOM 525 C CA . GLU A 1 65 ? 10.468 10.092 5.757 1.00 98.17 65 A 1 ATOM 526 C C . GLU A 1 65 ? 9.491 8.904 5.791 1.00 98.16 65 A 1 ATOM 527 O O . GLU A 1 65 ? 9.388 8.220 6.812 1.00 97.79 65 A 1 ATOM 528 C CB . GLU A 1 65 ? 9.689 11.424 5.837 1.00 97.91 65 A 1 ATOM 529 C CG . GLU A 1 65 ? 10.584 12.661 6.075 1.00 96.07 65 A 1 ATOM 530 C CD . GLU A 1 65 ? 9.791 13.978 6.258 1.00 95.47 65 A 1 ATOM 531 O OE1 . GLU A 1 65 ? 10.364 14.956 6.795 1.00 89.37 65 A 1 ATOM 532 O OE2 . GLU A 1 65 ? 8.598 14.060 5.880 1.00 90.76 65 A 1 ATOM 533 N N . ILE A 1 66 ? 8.844 8.603 4.659 1.00 98.46 66 A 1 ATOM 534 C CA . ILE A 1 66 ? 7.925 7.464 4.520 1.00 98.45 66 A 1 ATOM 535 C C . ILE A 1 66 ? 8.629 6.152 4.878 1.00 98.28 66 A 1 ATOM 536 O O . ILE A 1 66 ? 8.139 5.390 5.716 1.00 98.06 66 A 1 ATOM 537 C CB . ILE A 1 66 ? 7.340 7.407 3.083 1.00 98.53 66 A 1 ATOM 538 C CG1 . ILE A 1 66 ? 6.363 8.581 2.838 1.00 98.31 66 A 1 ATOM 539 C CG2 . ILE A 1 66 ? 6.620 6.070 2.815 1.00 98.20 66 A 1 ATOM 540 C CD1 . ILE A 1 66 ? 6.018 8.807 1.357 1.00 97.67 66 A 1 ATOM 541 N N . VAL A 1 67 ? 9.793 5.878 4.265 1.00 98.28 67 A 1 ATOM 542 C CA . VAL A 1 67 ? 10.557 4.642 4.511 1.00 98.10 67 A 1 ATOM 543 C C . VAL A 1 67 ? 10.973 4.549 5.979 1.00 97.81 67 A 1 ATOM 544 O O . VAL A 1 67 ? 10.757 3.514 6.612 1.00 97.46 67 A 1 ATOM 545 C CB . VAL A 1 67 ? 11.777 4.549 3.573 1.00 97.88 67 A 1 ATOM 546 C CG1 . VAL A 1 67 ? 12.718 3.390 3.940 1.00 96.89 67 A 1 ATOM 547 C CG2 . VAL A 1 67 ? 11.320 4.313 2.125 1.00 96.96 67 A 1 ATOM 548 N N . TYR A 1 68 ? 11.494 5.638 6.538 1.00 97.90 68 A 1 ATOM 549 C CA . TYR A 1 68 ? 11.898 5.689 7.942 1.00 97.62 68 A 1 ATOM 550 C C . TYR A 1 68 ? 10.736 5.373 8.890 1.00 97.36 68 A 1 ATOM 551 O O . TYR A 1 68 ? 10.871 4.539 9.792 1.00 96.86 68 A 1 ATOM 552 C CB . TYR A 1 68 ? 12.495 7.072 8.241 1.00 97.40 68 A 1 ATOM 553 C CG . TYR A 1 68 ? 12.875 7.251 9.698 1.00 96.94 68 A 1 ATOM 554 C CD1 . TYR A 1 68 ? 11.995 7.904 10.587 1.00 95.42 68 A 1 ATOM 555 C CD2 . TYR A 1 68 ? 14.093 6.731 10.171 1.00 95.45 68 A 1 ATOM 556 C CE1 . TYR A 1 68 ? 12.340 8.041 11.945 1.00 94.42 68 A 1 ATOM 557 C CE2 . TYR A 1 68 ? 14.443 6.866 11.529 1.00 94.54 68 A 1 ATOM 558 C CZ . TYR A 1 68 ? 13.563 7.521 12.417 1.00 94.67 68 A 1 ATOM 559 O OH . TYR A 1 68 ? 13.894 7.645 13.733 1.00 93.17 68 A 1 ATOM 560 N N . GLU A 1 69 ? 9.576 6.003 8.684 1.00 97.22 69 A 1 ATOM 561 C CA . GLU A 1 69 ? 8.403 5.762 9.528 1.00 96.90 69 A 1 ATOM 562 C C . GLU A 1 69 ? 7.876 4.330 9.406 1.00 96.67 69 A 1 ATOM 563 O O . GLU A 1 69 ? 7.547 3.709 10.425 1.00 95.84 69 A 1 ATOM 564 C CB . GLU A 1 69 ? 7.282 6.743 9.200 1.00 96.47 69 A 1 ATOM 565 C CG . GLU A 1 69 ? 7.509 8.120 9.827 1.00 88.58 69 A 1 ATOM 566 C CD . GLU A 1 69 ? 6.199 8.898 9.977 1.00 86.12 69 A 1 ATOM 567 O OE1 . GLU A 1 69 ? 6.164 10.098 9.678 1.00 77.70 69 A 1 ATOM 568 O OE2 . GLU A 1 69 ? 5.216 8.273 10.476 1.00 78.86 69 A 1 ATOM 569 N N . ILE A 1 70 ? 7.825 3.784 8.181 1.00 96.75 70 A 1 ATOM 570 C CA . ILE A 1 70 ? 7.424 2.391 7.952 1.00 96.40 70 A 1 ATOM 571 C C . ILE A 1 70 ? 8.368 1.455 8.712 1.00 95.89 70 A 1 ATOM 572 O O . ILE A 1 70 ? 7.910 0.634 9.511 1.00 95.10 70 A 1 ATOM 573 C CB . ILE A 1 70 ? 7.355 2.071 6.436 1.00 96.53 70 A 1 ATOM 574 C CG1 . ILE A 1 70 ? 6.145 2.801 5.803 1.00 96.30 70 A 1 ATOM 575 C CG2 . ILE A 1 70 ? 7.236 0.551 6.193 1.00 96.07 70 A 1 ATOM 576 C CD1 . ILE A 1 70 ? 6.098 2.739 4.270 1.00 95.83 70 A 1 ATOM 577 N N . GLU A 1 71 ? 9.685 1.594 8.533 1.00 96.17 71 A 1 ATOM 578 C CA . GLU A 1 71 ? 10.659 0.727 9.205 1.00 95.64 71 A 1 ATOM 579 C C . GLU A 1 71 ? 10.586 0.843 10.735 1.00 95.07 71 A 1 ATOM 580 O O . GLU A 1 71 ? 10.620 -0.167 11.449 1.00 94.12 71 A 1 ATOM 581 C CB . GLU A 1 71 ? 12.083 1.043 8.735 1.00 95.67 71 A 1 ATOM 582 C CG . GLU A 1 71 ? 12.350 0.572 7.300 1.00 94.44 71 A 1 ATOM 583 C CD . GLU A 1 71 ? 13.844 0.583 6.941 1.00 93.45 71 A 1 ATOM 584 O OE1 . GLU A 1 71 ? 14.163 0.076 5.844 1.00 88.13 71 A 1 ATOM 585 O OE2 . GLU A 1 71 ? 14.671 0.965 7.808 1.00 88.63 71 A 1 ATOM 586 N N . CYS A 1 72 ? 10.423 2.057 11.262 1.00 95.69 72 A 1 ATOM 587 C CA . CYS A 1 72 ? 10.288 2.281 12.701 1.00 95.03 72 A 1 ATOM 588 C C . CYS A 1 72 ? 9.038 1.612 13.291 1.00 94.26 72 A 1 ATOM 589 O O . CYS A 1 72 ? 9.121 0.977 14.349 1.00 92.71 72 A 1 ATOM 590 C CB . CYS A 1 72 ? 10.287 3.792 12.981 1.00 95.10 72 A 1 ATOM 591 S SG . CYS A 1 72 ? 11.997 4.390 12.920 1.00 93.76 72 A 1 ATOM 592 N N . ARG A 1 73 ? 7.888 1.742 12.611 1.00 94.70 73 A 1 ATOM 593 C CA . ARG A 1 73 ? 6.608 1.168 13.064 1.00 93.57 73 A 1 ATOM 594 C C . ARG A 1 73 ? 6.576 -0.353 12.929 1.00 92.86 73 A 1 ATOM 595 O O . ARG A 1 73 ? 6.016 -1.033 13.795 1.00 90.43 73 A 1 ATOM 596 C CB . ARG A 1 73 ? 5.445 1.825 12.297 1.00 93.11 73 A 1 ATOM 597 C CG . ARG A 1 73 ? 5.228 3.305 12.669 1.00 90.61 73 A 1 ATOM 598 C CD . ARG A 1 73 ? 4.075 3.892 11.839 1.00 88.81 73 A 1 ATOM 599 N NE . ARG A 1 73 ? 3.959 5.360 11.959 1.00 85.07 73 A 1 ATOM 600 C CZ . ARG A 1 73 ? 2.889 6.094 11.689 1.00 80.65 73 A 1 ATOM 601 N NH1 . ARG A 1 73 ? 1.729 5.569 11.413 1.00 78.32 73 A 1 ATOM 602 N NH2 . ARG A 1 73 ? 2.976 7.396 11.665 1.00 74.90 73 A 1 ATOM 603 N N . PHE A 1 74 ? 7.227 -0.911 11.896 1.00 93.96 74 A 1 ATOM 604 C CA . PHE A 1 74 ? 7.161 -2.335 11.555 1.00 92.54 74 A 1 ATOM 605 C C . PHE A 1 74 ? 8.462 -3.111 11.839 1.00 91.48 74 A 1 ATOM 606 O O . PHE A 1 74 ? 8.565 -4.288 11.494 1.00 87.75 74 A 1 ATOM 607 C CB . PHE A 1 74 ? 6.634 -2.490 10.120 1.00 91.50 74 A 1 ATOM 608 C CG . PHE A 1 74 ? 5.211 -1.966 9.951 1.00 91.10 74 A 1 ATOM 609 C CD1 . PHE A 1 74 ? 4.106 -2.807 10.189 1.00 88.42 74 A 1 ATOM 610 C CD2 . PHE A 1 74 ? 4.992 -0.620 9.609 1.00 89.57 74 A 1 ATOM 611 C CE1 . PHE A 1 74 ? 2.795 -2.300 10.084 1.00 88.06 74 A 1 ATOM 612 C CE2 . PHE A 1 74 ? 3.681 -0.111 9.514 1.00 88.93 74 A 1 ATOM 613 C CZ . PHE A 1 74 ? 2.584 -0.951 9.749 1.00 89.05 74 A 1 ATOM 614 N N . LYS A 1 75 ? 9.428 -2.529 12.572 1.00 90.12 75 A 1 ATOM 615 C CA . LYS A 1 75 ? 10.741 -3.132 12.905 1.00 87.91 75 A 1 ATOM 616 C C . LYS A 1 75 ? 10.712 -4.531 13.538 1.00 85.70 75 A 1 ATOM 617 O O . LYS A 1 75 ? 11.722 -5.231 13.514 1.00 78.14 75 A 1 ATOM 618 C CB . LYS A 1 75 ? 11.537 -2.163 13.796 1.00 84.69 75 A 1 ATOM 619 C CG . LYS A 1 75 ? 10.915 -1.906 15.190 1.00 80.49 75 A 1 ATOM 620 C CD . LYS A 1 75 ? 11.732 -0.838 15.932 1.00 79.09 75 A 1 ATOM 621 C CE . LYS A 1 75 ? 11.112 -0.508 17.292 1.00 72.15 75 A 1 ATOM 622 N NZ . LYS A 1 75 ? 11.829 0.630 17.925 1.00 65.05 75 A 1 ATOM 623 N N . LYS A 1 76 ? 9.589 -4.946 14.119 1.00 78.34 76 A 1 ATOM 624 C CA . LYS A 1 76 ? 9.443 -6.267 14.765 1.00 73.86 76 A 1 ATOM 625 C C . LYS A 1 76 ? 9.115 -7.414 13.794 1.00 72.19 76 A 1 ATOM 626 O O . LYS A 1 76 ? 9.079 -8.562 14.229 1.00 66.88 76 A 1 ATOM 627 C CB . LYS A 1 76 ? 8.427 -6.193 15.919 1.00 67.78 76 A 1 ATOM 628 C CG . LYS A 1 76 ? 8.924 -5.336 17.097 1.00 60.42 76 A 1 ATOM 629 C CD . LYS A 1 76 ? 7.955 -5.428 18.286 1.00 55.94 76 A 1 ATOM 630 C CE . LYS A 1 76 ? 8.476 -4.602 19.464 1.00 50.28 76 A 1 ATOM 631 N NZ . LYS A 1 76 ? 7.588 -4.707 20.652 1.00 43.88 76 A 1 ATOM 632 N N . ILE A 1 77 ? 8.896 -7.148 12.513 1.00 66.85 77 A 1 ATOM 633 C CA . ILE A 1 77 ? 8.532 -8.151 11.488 1.00 65.60 77 A 1 ATOM 634 C C . ILE A 1 77 ? 9.786 -8.716 10.785 1.00 64.83 77 A 1 ATOM 635 O O . ILE A 1 77 ? 9.740 -9.137 9.636 1.00 59.74 77 A 1 ATOM 636 C CB . ILE A 1 77 ? 7.424 -7.620 10.527 1.00 62.38 77 A 1 ATOM 637 C CG1 . ILE A 1 77 ? 6.275 -6.924 11.313 1.00 56.93 77 A 1 ATOM 638 C CG2 . ILE A 1 77 ? 6.812 -8.749 9.664 1.00 55.53 77 A 1 ATOM 639 C CD1 . ILE A 1 77 ? 5.188 -6.299 10.428 1.00 54.06 77 A 1 ATOM 640 N N . LYS A 1 78 ? 10.956 -8.762 11.444 1.00 60.80 78 A 1 ATOM 641 C CA . LYS A 1 78 ? 12.073 -9.583 10.947 1.00 60.24 78 A 1 ATOM 642 C C . LYS A 1 78 ? 11.865 -11.012 11.437 1.00 58.86 78 A 1 ATOM 643 O O . LYS A 1 78 ? 12.028 -11.298 12.622 1.00 54.69 78 A 1 ATOM 644 C CB . LYS A 1 78 ? 13.453 -8.988 11.297 1.00 56.34 78 A 1 ATOM 645 C CG . LYS A 1 78 ? 13.796 -7.833 10.336 1.00 51.24 78 A 1 ATOM 646 C CD . LYS A 1 78 ? 15.254 -7.356 10.463 1.00 48.24 78 A 1 ATOM 647 C CE . LYS A 1 78 ? 15.523 -6.269 9.412 1.00 45.19 78 A 1 ATOM 648 N NZ . LYS A 1 78 ? 16.920 -5.760 9.433 1.00 41.51 78 A 1 ATOM 649 N N . ARG A 1 79 ? 11.485 -11.902 10.508 1.00 53.46 79 A 1 ATOM 650 C CA . ARG A 1 79 ? 11.650 -13.354 10.681 1.00 53.79 79 A 1 ATOM 651 C C . ARG A 1 79 ? 13.148 -13.619 10.855 1.00 51.96 79 A 1 ATOM 652 O O . ARG A 1 79 ? 13.928 -13.239 9.983 1.00 47.67 79 A 1 ATOM 653 C CB . ARG A 1 79 ? 11.097 -14.121 9.457 1.00 51.41 79 A 1 ATOM 654 C CG . ARG A 1 79 ? 9.558 -14.163 9.421 1.00 47.00 79 A 1 ATOM 655 C CD . ARG A 1 79 ? 9.076 -14.931 8.181 1.00 44.41 79 A 1 ATOM 656 N NE . ARG A 1 79 ? 7.608 -15.133 8.194 1.00 41.61 79 A 1 ATOM 657 C CZ . ARG A 1 79 ? 6.869 -15.582 7.190 1.00 39.46 79 A 1 ATOM 658 N NH1 . ARG A 1 79 ? 7.385 -15.877 6.029 1.00 38.64 79 A 1 ATOM 659 N NH2 . ARG A 1 79 ? 5.585 -15.751 7.344 1.00 37.90 79 A 1 ATOM 660 N N . GLY A 1 80 ? 13.526 -14.196 12.010 1.00 49.67 80 A 1 ATOM 661 C CA . GLY A 1 80 ? 14.786 -14.928 12.135 1.00 50.52 80 A 1 ATOM 662 C C . GLY A 1 80 ? 14.721 -16.214 11.332 1.00 46.92 80 A 1 ATOM 663 O O . GLY A 1 80 ? 13.596 -16.678 11.041 1.00 42.99 80 A 1 ATOM 664 O OXT . GLY A 1 80 ? 15.827 -16.730 11.042 1.00 46.86 80 A 1 #