# 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_acriia10 # _entry.id acriia10 # 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" "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 ASP 2 1 n ASN 3 1 n LYS 4 1 n PHE 5 1 n LYS 6 1 n LEU 7 1 n ARG 8 1 n LYS 9 1 n ALA 10 1 n ILE 11 1 n ASN 12 1 n GLY 13 1 n ILE 14 1 n GLU 15 1 n GLU 16 1 n LEU 17 1 n ASN 18 1 n PHE 19 1 n ALA 20 1 n PHE 21 1 n ASP 22 1 n LYS 23 1 n LEU 24 1 n THR 25 1 n ALA 26 1 n ILE 27 1 n ASP 28 1 n TYR 29 1 n LYS 30 1 n THR 31 1 n ILE 32 1 n CYS 33 1 n ARG 34 1 n ILE 35 1 n GLU 36 1 n ARG 37 1 n LYS 38 1 n MET 39 1 n ASN 40 1 n GLY 41 1 n LEU 42 1 n SER 43 1 n VAL 44 1 n ASP 45 1 n ALA 46 1 n LEU 47 1 n ALA 48 1 n ASP 49 1 n SER 50 1 n ILE 51 1 n ILE 52 1 n ALA 53 1 n SER 54 1 n ALA 55 1 n GLY 56 1 n THR 57 1 n ARG 58 1 n LYS 59 1 n THR 60 1 n SER 61 1 n SER 62 1 n GLU 63 1 n PHE 64 1 n ARG 65 1 n ILE 66 1 n ALA 67 1 n CYS 68 1 n ALA 69 1 n TRP 70 1 n VAL 71 1 n ALA 72 1 n ALA 73 1 n VAL 74 1 n LYS 75 1 n GLY 76 1 n THR 77 1 n ASP 78 1 n GLY 79 1 n LEU 80 1 n THR 81 1 n VAL 82 1 n ASP 83 1 n ASP 84 1 n TYR 85 1 n ASP 86 1 n GLN 87 1 n LEU 88 1 n SER 89 1 n LEU 90 1 n ASP 91 1 n ASP 92 1 n LEU 93 1 n LEU 94 1 n GLU 95 1 n LEU 96 1 n GLU 97 1 n THR 98 1 n PHE 99 1 n GLY 100 1 n LEU 101 1 n LEU 102 1 n PHE 103 1 n PHE 104 1 n VAL 105 1 n GLY 106 1 n SER 107 1 n LEU 108 1 n GLU 109 # _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 19:45:42)" _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 82.73 _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 58.77 1 1 A ASP 2 2 69.15 1 2 A ASN 3 2 80.96 1 3 A LYS 4 2 87.11 1 4 A PHE 5 2 93.76 1 5 A LYS 6 2 87.65 1 6 A LEU 7 2 95.81 1 7 A ARG 8 2 83.97 1 8 A LYS 9 2 86.54 1 9 A ALA 10 2 95.67 1 10 A ILE 11 2 94.18 1 11 A ASN 12 2 91.23 1 12 A GLY 13 2 96.40 1 13 A ILE 14 2 96.95 1 14 A GLU 15 2 92.68 1 15 A GLU 16 2 93.36 1 16 A LEU 17 2 97.05 1 17 A ASN 18 2 89.12 1 18 A PHE 19 2 95.24 1 19 A ALA 20 2 95.12 1 20 A PHE 21 2 92.99 1 21 A ASP 22 2 89.69 1 22 A LYS 23 2 91.16 1 23 A LEU 24 2 93.47 1 24 A THR 25 2 94.20 1 25 A ALA 26 2 94.80 1 26 A ILE 27 2 90.56 1 27 A ASP 28 2 95.44 1 28 A TYR 29 2 88.80 1 29 A LYS 30 2 81.89 1 30 A THR 31 2 94.44 1 31 A ILE 32 2 92.27 1 32 A CYS 33 2 86.43 1 33 A ARG 34 2 76.65 1 34 A ILE 35 2 91.20 1 35 A GLU 36 2 84.45 1 36 A ARG 37 2 72.67 1 37 A LYS 38 2 81.04 1 38 A MET 39 2 81.84 1 39 A ASN 40 2 74.66 1 40 A GLY 41 2 70.92 1 41 A LEU 42 2 44.69 1 42 A SER 43 2 51.00 1 43 A VAL 44 2 46.00 1 44 A ASP 45 2 49.00 1 45 A ALA 46 2 52.90 1 46 A LEU 47 2 44.05 1 47 A ALA 48 2 54.94 1 48 A ASP 49 2 56.33 1 49 A SER 50 2 50.03 1 50 A ILE 51 2 50.90 1 51 A ILE 52 2 53.71 1 52 A ALA 53 2 56.92 1 53 A SER 54 2 48.30 1 54 A ALA 55 2 55.14 1 55 A GLY 56 2 61.57 1 56 A THR 57 2 67.25 1 57 A ARG 58 2 70.16 1 58 A LYS 59 2 73.73 1 59 A THR 60 2 76.76 1 60 A SER 61 2 82.89 1 61 A SER 62 2 86.12 1 62 A GLU 63 2 82.69 1 63 A PHE 64 2 88.95 1 64 A ARG 65 2 85.02 1 65 A ILE 66 2 94.25 1 66 A ALA 67 2 95.09 1 67 A CYS 68 2 93.26 1 68 A ALA 69 2 96.68 1 69 A TRP 70 2 97.21 1 70 A VAL 71 2 96.76 1 71 A ALA 72 2 96.64 1 72 A ALA 73 2 97.71 1 73 A VAL 74 2 97.50 1 74 A LYS 75 2 94.26 1 75 A GLY 76 2 97.34 1 76 A THR 77 2 97.48 1 77 A ASP 78 2 92.68 1 78 A GLY 79 2 97.47 1 79 A LEU 80 2 97.26 1 80 A THR 81 2 95.67 1 81 A VAL 82 2 95.45 1 82 A ASP 83 2 91.51 1 83 A ASP 84 2 95.54 1 84 A TYR 85 2 86.90 1 85 A ASP 86 2 90.73 1 86 A GLN 87 2 90.83 1 87 A LEU 88 2 93.16 1 88 A SER 89 2 94.82 1 89 A LEU 90 2 92.53 1 90 A ASP 91 2 88.47 1 91 A ASP 92 2 95.59 1 92 A LEU 93 2 92.63 1 93 A LEU 94 2 93.00 1 94 A GLU 95 2 87.59 1 95 A LEU 96 2 93.88 1 96 A GLU 97 2 85.86 1 97 A THR 98 2 90.09 1 98 A PHE 99 2 90.25 1 99 A GLY 100 2 89.98 1 100 A LEU 101 2 82.87 1 101 A LEU 102 2 79.09 1 102 A PHE 103 2 77.67 1 103 A PHE 104 2 79.39 1 104 A VAL 105 2 73.45 1 105 A GLY 106 2 67.74 1 106 A SER 107 2 56.77 1 107 A LEU 108 2 47.94 1 108 A GLU 109 2 43.28 1 109 # _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 ASP . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ASN . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n GLU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n PHE . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n PHE . 21 A 21 A 22 1 n ASP . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n THR . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n ILE . 27 A 27 A 28 1 n ASP . 28 A 28 A 29 1 n TYR . 29 A 29 A 30 1 n LYS . 30 A 30 A 31 1 n THR . 31 A 31 A 32 1 n ILE . 32 A 32 A 33 1 n CYS . 33 A 33 A 34 1 n ARG . 34 A 34 A 35 1 n ILE . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n ARG . 37 A 37 A 38 1 n LYS . 38 A 38 A 39 1 n MET . 39 A 39 A 40 1 n ASN . 40 A 40 A 41 1 n GLY . 41 A 41 A 42 1 n LEU . 42 A 42 A 43 1 n SER . 43 A 43 A 44 1 n VAL . 44 A 44 A 45 1 n ASP . 45 A 45 A 46 1 n ALA . 46 A 46 A 47 1 n LEU . 47 A 47 A 48 1 n ALA . 48 A 48 A 49 1 n ASP . 49 A 49 A 50 1 n SER . 50 A 50 A 51 1 n ILE . 51 A 51 A 52 1 n ILE . 52 A 52 A 53 1 n ALA . 53 A 53 A 54 1 n SER . 54 A 54 A 55 1 n ALA . 55 A 55 A 56 1 n GLY . 56 A 56 A 57 1 n THR . 57 A 57 A 58 1 n ARG . 58 A 58 A 59 1 n LYS . 59 A 59 A 60 1 n THR . 60 A 60 A 61 1 n SER . 61 A 61 A 62 1 n SER . 62 A 62 A 63 1 n GLU . 63 A 63 A 64 1 n PHE . 64 A 64 A 65 1 n ARG . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n ALA . 67 A 67 A 68 1 n CYS . 68 A 68 A 69 1 n ALA . 69 A 69 A 70 1 n TRP . 70 A 70 A 71 1 n VAL . 71 A 71 A 72 1 n ALA . 72 A 72 A 73 1 n ALA . 73 A 73 A 74 1 n VAL . 74 A 74 A 75 1 n LYS . 75 A 75 A 76 1 n GLY . 76 A 76 A 77 1 n THR . 77 A 77 A 78 1 n ASP . 78 A 78 A 79 1 n GLY . 79 A 79 A 80 1 n LEU . 80 A 80 A 81 1 n THR . 81 A 81 A 82 1 n VAL . 82 A 82 A 83 1 n ASP . 83 A 83 A 84 1 n ASP . 84 A 84 A 85 1 n TYR . 85 A 85 A 86 1 n ASP . 86 A 86 A 87 1 n GLN . 87 A 87 A 88 1 n LEU . 88 A 88 A 89 1 n SER . 89 A 89 A 90 1 n LEU . 90 A 90 A 91 1 n ASP . 91 A 91 A 92 1 n ASP . 92 A 92 A 93 1 n LEU . 93 A 93 A 94 1 n LEU . 94 A 94 A 95 1 n GLU . 95 A 95 A 96 1 n LEU . 96 A 96 A 97 1 n GLU . 97 A 97 A 98 1 n THR . 98 A 98 A 99 1 n PHE . 99 A 99 A 100 1 n GLY . 100 A 100 A 101 1 n LEU . 101 A 101 A 102 1 n LEU . 102 A 102 A 103 1 n PHE . 103 A 103 A 104 1 n PHE . 104 A 104 A 105 1 n VAL . 105 A 105 A 106 1 n GLY . 106 A 106 A 107 1 n SER . 107 A 107 A 108 1 n LEU . 108 A 108 A 109 1 n GLU . 109 A 109 # _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 ? -7.710 -3.382 16.885 1.00 62.53 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.175 -3.811 15.579 1.00 66.03 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.760 -4.275 15.846 1.00 68.19 1 A 1 ATOM 4 O O . MET A 1 1 ? -5.037 -3.541 16.515 1.00 62.76 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.236 -2.637 14.592 1.00 61.26 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.772 -2.964 13.172 1.00 54.57 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.088 -1.577 12.042 1.00 49.47 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.999 -2.016 10.671 1.00 45.38 1 A 1 ATOM 9 N N . ASP A 1 2 ? -5.405 -5.497 15.429 1.00 72.37 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -4.021 -5.947 15.577 1.00 76.38 2 A 1 ATOM 11 C C . ASP A 1 2 ? -3.147 -5.126 14.630 1.00 77.60 2 A 1 ATOM 12 O O . ASP A 1 2 ? -3.325 -5.158 13.415 1.00 73.86 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -3.890 -7.458 15.326 1.00 70.26 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -4.380 -8.294 16.516 1.00 63.39 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -4.276 -7.782 17.656 1.00 60.41 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -4.864 -9.418 16.279 1.00 58.94 2 A 1 ATOM 17 N N . ASN A 1 3 ? -2.235 -4.348 15.198 1.00 87.84 3 A 1 ATOM 18 C CA . ASN A 1 3 ? -1.315 -3.507 14.437 1.00 90.37 3 A 1 ATOM 19 C C . ASN A 1 3 ? -0.072 -4.286 13.988 1.00 93.15 3 A 1 ATOM 20 O O . ASN A 1 3 ? 0.892 -3.676 13.550 1.00 91.84 3 A 1 ATOM 21 C CB . ASN A 1 3 ? -0.962 -2.263 15.276 1.00 83.56 3 A 1 ATOM 22 C CG . ASN A 1 3 ? -2.079 -1.236 15.362 1.00 72.62 3 A 1 ATOM 23 O OD1 . ASN A 1 3 ? -3.130 -1.332 14.752 1.00 63.78 3 A 1 ATOM 24 N ND2 . ASN A 1 3 ? -1.882 -0.193 16.137 1.00 64.48 3 A 1 ATOM 25 N N . LYS A 1 4 ? -0.085 -5.619 14.118 1.00 92.87 4 A 1 ATOM 26 C CA . LYS A 1 4 ? 1.069 -6.484 13.866 1.00 93.47 4 A 1 ATOM 27 C C . LYS A 1 4 ? 0.770 -7.502 12.775 1.00 93.47 4 A 1 ATOM 28 O O . LYS A 1 4 ? -0.314 -8.079 12.742 1.00 91.77 4 A 1 ATOM 29 C CB . LYS A 1 4 ? 1.486 -7.185 15.158 1.00 91.63 4 A 1 ATOM 30 C CG . LYS A 1 4 ? 2.108 -6.204 16.159 1.00 87.60 4 A 1 ATOM 31 C CD . LYS A 1 4 ? 2.439 -6.949 17.445 1.00 84.80 4 A 1 ATOM 32 C CE . LYS A 1 4 ? 3.426 -6.154 18.303 1.00 78.78 4 A 1 ATOM 33 N NZ . LYS A 1 4 ? 4.533 -7.043 18.715 1.00 69.59 4 A 1 ATOM 34 N N . PHE A 1 5 ? 1.748 -7.747 11.921 1.00 94.98 5 A 1 ATOM 35 C CA . PHE A 1 5 ? 1.681 -8.732 10.848 1.00 95.36 5 A 1 ATOM 36 C C . PHE A 1 5 ? 2.986 -9.520 10.771 1.00 96.27 5 A 1 ATOM 37 O O . PHE A 1 5 ? 4.063 -8.933 10.663 1.00 96.10 5 A 1 ATOM 38 C CB . PHE A 1 5 ? 1.385 -8.019 9.526 1.00 94.66 5 A 1 ATOM 39 C CG . PHE A 1 5 ? 1.457 -8.927 8.316 1.00 94.91 5 A 1 ATOM 40 C CD1 . PHE A 1 5 ? 2.421 -8.703 7.312 1.00 92.59 5 A 1 ATOM 41 C CD2 . PHE A 1 5 ? 0.575 -10.015 8.199 1.00 93.04 5 A 1 ATOM 42 C CE1 . PHE A 1 5 ? 2.493 -9.553 6.198 1.00 91.03 5 A 1 ATOM 43 C CE2 . PHE A 1 5 ? 0.653 -10.870 7.085 1.00 91.46 5 A 1 ATOM 44 C CZ . PHE A 1 5 ? 1.609 -10.636 6.083 1.00 90.96 5 A 1 ATOM 45 N N . LYS A 1 6 ? 2.883 -10.846 10.829 1.00 95.79 6 A 1 ATOM 46 C CA . LYS A 1 6 ? 4.038 -11.727 10.681 1.00 95.92 6 A 1 ATOM 47 C C . LYS A 1 6 ? 4.288 -12.000 9.201 1.00 96.19 6 A 1 ATOM 48 O O . LYS A 1 6 ? 3.426 -12.565 8.532 1.00 96.00 6 A 1 ATOM 49 C CB . LYS A 1 6 ? 3.833 -13.008 11.497 1.00 95.63 6 A 1 ATOM 50 C CG . LYS A 1 6 ? 5.113 -13.849 11.471 1.00 86.55 6 A 1 ATOM 51 C CD . LYS A 1 6 ? 5.023 -15.058 12.404 1.00 82.62 6 A 1 ATOM 52 C CE . LYS A 1 6 ? 6.372 -15.778 12.338 1.00 75.09 6 A 1 ATOM 53 N NZ . LYS A 1 6 ? 6.463 -16.886 13.317 1.00 65.02 6 A 1 ATOM 54 N N . LEU A 1 7 ? 5.466 -11.632 8.723 1.00 96.42 7 A 1 ATOM 55 C CA . LEU A 1 7 ? 5.899 -11.868 7.350 1.00 96.43 7 A 1 ATOM 56 C C . LEU A 1 7 ? 6.085 -13.367 7.092 1.00 96.37 7 A 1 ATOM 57 O O . LEU A 1 7 ? 6.590 -14.105 7.940 1.00 95.94 7 A 1 ATOM 58 C CB . LEU A 1 7 ? 7.210 -11.107 7.094 1.00 96.40 7 A 1 ATOM 59 C CG . LEU A 1 7 ? 7.083 -9.574 7.067 1.00 95.80 7 A 1 ATOM 60 C CD1 . LEU A 1 7 ? 8.479 -8.945 7.086 1.00 94.19 7 A 1 ATOM 61 C CD2 . LEU A 1 7 ? 6.364 -9.093 5.807 1.00 94.97 7 A 1 ATOM 62 N N . ARG A 1 8 ? 5.718 -13.812 5.891 1.00 96.43 8 A 1 ATOM 63 C CA . ARG A 1 8 ? 6.023 -15.169 5.411 1.00 95.49 8 A 1 ATOM 64 C C . ARG A 1 8 ? 7.500 -15.312 5.065 1.00 95.57 8 A 1 ATOM 65 O O . ARG A 1 8 ? 8.085 -16.374 5.255 1.00 94.07 8 A 1 ATOM 66 C CB . ARG A 1 8 ? 5.168 -15.508 4.189 1.00 94.68 8 A 1 ATOM 67 C CG . ARG A 1 8 ? 3.668 -15.480 4.499 1.00 89.62 8 A 1 ATOM 68 C CD . ARG A 1 8 ? 2.877 -15.844 3.240 1.00 84.96 8 A 1 ATOM 69 N NE . ARG A 1 8 ? 1.424 -15.737 3.487 1.00 77.40 8 A 1 ATOM 70 C CZ . ARG A 1 8 ? 0.475 -16.314 2.769 1.00 69.78 8 A 1 ATOM 71 N NH1 . ARG A 1 8 ? 0.735 -17.126 1.785 1.00 63.60 8 A 1 ATOM 72 N NH2 . ARG A 1 8 ? -0.778 -16.065 3.022 1.00 62.11 8 A 1 ATOM 73 N N . LYS A 1 9 ? 8.093 -14.232 4.567 1.00 94.94 9 A 1 ATOM 74 C CA . LYS A 1 9 ? 9.519 -14.120 4.268 1.00 94.34 9 A 1 ATOM 75 C C . LYS A 1 9 ? 10.101 -12.916 5.010 1.00 95.68 9 A 1 ATOM 76 O O . LYS A 1 9 ? 9.667 -11.794 4.787 1.00 94.95 9 A 1 ATOM 77 C CB . LYS A 1 9 ? 9.696 -14.011 2.745 1.00 91.82 9 A 1 ATOM 78 C CG . LYS A 1 9 ? 11.176 -13.968 2.342 1.00 84.79 9 A 1 ATOM 79 C CD . LYS A 1 9 ? 11.309 -13.717 0.839 1.00 81.70 9 A 1 ATOM 80 C CE . LYS A 1 9 ? 12.781 -13.499 0.478 1.00 73.87 9 A 1 ATOM 81 N NZ . LYS A 1 9 ? 12.917 -12.905 -0.878 1.00 66.81 9 A 1 ATOM 82 N N . ALA A 1 10 ? 11.110 -13.158 5.857 1.00 95.63 10 A 1 ATOM 83 C CA . ALA A 1 10 ? 11.793 -12.085 6.577 1.00 96.02 10 A 1 ATOM 84 C C . ALA A 1 10 ? 12.479 -11.102 5.611 1.00 96.19 10 A 1 ATOM 85 O O . ALA A 1 10 ? 13.044 -11.503 4.589 1.00 95.16 10 A 1 ATOM 86 C CB . ALA A 1 10 ? 12.790 -12.702 7.568 1.00 95.34 10 A 1 ATOM 87 N N . ILE A 1 11 ? 12.460 -9.817 5.962 1.00 96.52 11 A 1 ATOM 88 C CA . ILE A 1 11 ? 13.109 -8.722 5.235 1.00 96.54 11 A 1 ATOM 89 C C . ILE A 1 11 ? 14.232 -8.180 6.115 1.00 96.74 11 A 1 ATOM 90 O O . ILE A 1 11 ? 13.978 -7.674 7.203 1.00 95.70 11 A 1 ATOM 91 C CB . ILE A 1 11 ? 12.080 -7.624 4.884 1.00 95.70 11 A 1 ATOM 92 C CG1 . ILE A 1 11 ? 11.001 -8.175 3.929 1.00 91.87 11 A 1 ATOM 93 C CG2 . ILE A 1 11 ? 12.786 -6.404 4.264 1.00 90.86 11 A 1 ATOM 94 C CD1 . ILE A 1 11 ? 9.851 -7.197 3.690 1.00 89.50 11 A 1 ATOM 95 N N . ASN A 1 12 ? 15.488 -8.299 5.675 1.00 95.94 12 A 1 ATOM 96 C CA . ASN A 1 12 ? 16.661 -7.844 6.437 1.00 95.35 12 A 1 ATOM 97 C C . ASN A 1 12 ? 16.685 -8.331 7.908 1.00 96.41 12 A 1 ATOM 98 O O . ASN A 1 12 ? 17.120 -7.618 8.808 1.00 94.84 12 A 1 ATOM 99 C CB . ASN A 1 12 ? 16.796 -6.312 6.289 1.00 93.62 12 A 1 ATOM 100 C CG . ASN A 1 12 ? 16.995 -5.874 4.851 1.00 90.08 12 A 1 ATOM 101 O OD1 . ASN A 1 12 ? 17.540 -6.598 4.025 1.00 82.11 12 A 1 ATOM 102 N ND2 . ASN A 1 12 ? 16.558 -4.687 4.511 1.00 81.51 12 A 1 ATOM 103 N N . GLY A 1 13 ? 16.187 -9.545 8.164 1.00 96.05 13 A 1 ATOM 104 C CA . GLY A 1 13 ? 16.055 -10.112 9.513 1.00 96.42 13 A 1 ATOM 105 C C . GLY A 1 13 ? 14.798 -9.675 10.282 1.00 97.20 13 A 1 ATOM 106 O O . GLY A 1 13 ? 14.589 -10.145 11.396 1.00 95.94 13 A 1 ATOM 107 N N . ILE A 1 14 ? 13.935 -8.832 9.699 1.00 96.99 14 A 1 ATOM 108 C CA . ILE A 1 14 ? 12.641 -8.432 10.259 1.00 97.50 14 A 1 ATOM 109 C C . ILE A 1 14 ? 11.601 -9.497 9.890 1.00 97.61 14 A 1 ATOM 110 O O . ILE A 1 14 ? 11.347 -9.739 8.712 1.00 97.11 14 A 1 ATOM 111 C CB . ILE A 1 14 ? 12.235 -7.027 9.756 1.00 97.61 14 A 1 ATOM 112 C CG1 . ILE A 1 14 ? 13.296 -5.970 10.151 1.00 96.95 14 A 1 ATOM 113 C CG2 . ILE A 1 14 ? 10.847 -6.639 10.290 1.00 96.93 14 A 1 ATOM 114 C CD1 . ILE A 1 14 ? 13.121 -4.621 9.446 1.00 94.86 14 A 1 ATOM 115 N N . GLU A 1 15 ? 10.983 -10.120 10.890 1.00 97.49 15 A 1 ATOM 116 C CA . GLU A 1 15 ? 9.960 -11.166 10.731 1.00 97.30 15 A 1 ATOM 117 C C . GLU A 1 15 ? 8.533 -10.665 11.002 1.00 97.40 15 A 1 ATOM 118 O O . GLU A 1 15 ? 7.561 -11.328 10.638 1.00 96.56 15 A 1 ATOM 119 C CB . GLU A 1 15 ? 10.258 -12.338 11.677 1.00 96.56 15 A 1 ATOM 120 C CG . GLU A 1 15 ? 11.587 -13.048 11.386 1.00 93.10 15 A 1 ATOM 121 C CD . GLU A 1 15 ? 11.778 -14.322 12.234 1.00 90.70 15 A 1 ATOM 122 O OE1 . GLU A 1 15 ? 12.787 -15.024 11.997 1.00 81.96 15 A 1 ATOM 123 O OE2 . GLU A 1 15 ? 10.911 -14.618 13.095 1.00 83.09 15 A 1 ATOM 124 N N . GLU A 1 16 ? 8.381 -9.513 11.664 1.00 97.70 16 A 1 ATOM 125 C CA . GLU A 1 16 ? 7.094 -8.931 12.053 1.00 97.71 16 A 1 ATOM 126 C C . GLU A 1 16 ? 7.072 -7.437 11.719 1.00 97.81 16 A 1 ATOM 127 O O . GLU A 1 16 ? 7.996 -6.699 12.062 1.00 97.24 16 A 1 ATOM 128 C CB . GLU A 1 16 ? 6.824 -9.198 13.554 1.00 96.83 16 A 1 ATOM 129 C CG . GLU A 1 16 ? 5.436 -8.746 14.026 1.00 92.80 16 A 1 ATOM 130 C CD . GLU A 1 16 ? 5.148 -9.083 15.503 1.00 91.73 16 A 1 ATOM 131 O OE1 . GLU A 1 16 ? 5.364 -8.224 16.397 1.00 83.70 16 A 1 ATOM 132 O OE2 . GLU A 1 16 ? 4.643 -10.199 15.769 1.00 84.76 16 A 1 ATOM 133 N N . LEU A 1 17 ? 5.997 -6.990 11.068 1.00 97.66 17 A 1 ATOM 134 C CA . LEU A 1 17 ? 5.699 -5.583 10.826 1.00 97.61 17 A 1 ATOM 135 C C . LEU A 1 17 ? 4.764 -5.064 11.915 1.00 97.48 17 A 1 ATOM 136 O O . LEU A 1 17 ? 3.786 -5.726 12.262 1.00 97.03 17 A 1 ATOM 137 C CB . LEU A 1 17 ? 5.064 -5.395 9.438 1.00 97.62 17 A 1 ATOM 138 C CG . LEU A 1 17 ? 5.898 -5.915 8.255 1.00 97.01 17 A 1 ATOM 139 C CD1 . LEU A 1 17 ? 5.167 -5.605 6.946 1.00 95.97 17 A 1 ATOM 140 C CD2 . LEU A 1 17 ? 7.288 -5.280 8.202 1.00 96.04 17 A 1 ATOM 141 N N . ASN A 1 18 ? 5.025 -3.863 12.404 1.00 97.31 18 A 1 ATOM 142 C CA . ASN A 1 18 ? 4.145 -3.113 13.295 1.00 96.99 18 A 1 ATOM 143 C C . ASN A 1 18 ? 3.647 -1.849 12.578 1.00 97.12 18 A 1 ATOM 144 O O . ASN A 1 18 ? 4.450 -1.026 12.146 1.00 96.50 18 A 1 ATOM 145 C CB . ASN A 1 18 ? 4.911 -2.802 14.587 1.00 96.08 18 A 1 ATOM 146 C CG . ASN A 1 18 ? 4.067 -2.063 15.608 1.00 83.30 18 A 1 ATOM 147 O OD1 . ASN A 1 18 ? 2.849 -2.175 15.663 1.00 73.30 18 A 1 ATOM 148 N ND2 . ASN A 1 18 ? 4.684 -1.306 16.478 1.00 72.33 18 A 1 ATOM 149 N N . PHE A 1 19 ? 2.325 -1.695 12.428 1.00 95.96 19 A 1 ATOM 150 C CA . PHE A 1 19 ? 1.732 -0.593 11.671 1.00 95.86 19 A 1 ATOM 151 C C . PHE A 1 19 ? 1.403 0.592 12.581 1.00 95.50 19 A 1 ATOM 152 O O . PHE A 1 19 ? 0.485 0.533 13.394 1.00 94.51 19 A 1 ATOM 153 C CB . PHE A 1 19 ? 0.488 -1.072 10.917 1.00 95.75 19 A 1 ATOM 154 C CG . PHE A 1 19 ? 0.734 -2.231 9.970 1.00 96.04 19 A 1 ATOM 155 C CD1 . PHE A 1 19 ? 1.287 -2.008 8.696 1.00 94.67 19 A 1 ATOM 156 C CD2 . PHE A 1 19 ? 0.420 -3.540 10.374 1.00 94.96 19 A 1 ATOM 157 C CE1 . PHE A 1 19 ? 1.526 -3.091 7.830 1.00 94.51 19 A 1 ATOM 158 C CE2 . PHE A 1 19 ? 0.663 -4.622 9.507 1.00 94.65 19 A 1 ATOM 159 C CZ . PHE A 1 19 ? 1.216 -4.400 8.236 1.00 95.23 19 A 1 ATOM 160 N N . ALA A 1 20 ? 2.111 1.698 12.401 1.00 95.43 20 A 1 ATOM 161 C CA . ALA A 1 20 ? 1.866 2.953 13.113 1.00 95.28 20 A 1 ATOM 162 C C . ALA A 1 20 ? 1.026 3.925 12.260 1.00 94.99 20 A 1 ATOM 163 O O . ALA A 1 20 ? 1.511 4.972 11.817 1.00 94.43 20 A 1 ATOM 164 C CB . ALA A 1 20 ? 3.210 3.521 13.574 1.00 95.48 20 A 1 ATOM 165 N N . PHE A 1 21 ? -0.243 3.567 11.991 1.00 93.96 21 A 1 ATOM 166 C CA . PHE A 1 21 ? -1.159 4.410 11.201 1.00 93.60 21 A 1 ATOM 167 C C . PHE A 1 21 ? -1.419 5.779 11.840 1.00 93.52 21 A 1 ATOM 168 O O . PHE A 1 21 ? -1.575 6.771 11.129 1.00 92.57 21 A 1 ATOM 169 C CB . PHE A 1 21 ? -2.487 3.676 10.991 1.00 93.16 21 A 1 ATOM 170 C CG . PHE A 1 21 ? -2.423 2.531 9.999 1.00 93.47 21 A 1 ATOM 171 C CD1 . PHE A 1 21 ? -2.337 2.803 8.621 1.00 92.41 21 A 1 ATOM 172 C CD2 . PHE A 1 21 ? -2.468 1.198 10.445 1.00 92.81 21 A 1 ATOM 173 C CE1 . PHE A 1 21 ? -2.300 1.747 7.690 1.00 92.31 21 A 1 ATOM 174 C CE2 . PHE A 1 21 ? -2.430 0.142 9.515 1.00 92.47 21 A 1 ATOM 175 C CZ . PHE A 1 21 ? -2.349 0.416 8.137 1.00 92.63 21 A 1 ATOM 176 N N . ASP A 1 22 ? -1.425 5.851 13.161 1.00 92.70 22 A 1 ATOM 177 C CA . ASP A 1 22 ? -1.569 7.076 13.953 1.00 92.55 22 A 1 ATOM 178 C C . ASP A 1 22 ? -0.413 8.075 13.745 1.00 93.73 22 A 1 ATOM 179 O O . ASP A 1 22 ? -0.586 9.284 13.910 1.00 93.55 22 A 1 ATOM 180 C CB . ASP A 1 22 ? -1.667 6.674 15.438 1.00 91.61 22 A 1 ATOM 181 C CG . ASP A 1 22 ? -0.390 5.995 15.971 1.00 86.96 22 A 1 ATOM 182 O OD1 . ASP A 1 22 ? 0.099 5.049 15.310 1.00 83.19 22 A 1 ATOM 183 O OD2 . ASP A 1 22 ? 0.121 6.446 17.019 1.00 83.26 22 A 1 ATOM 184 N N . LYS A 1 23 ? 0.752 7.581 13.326 1.00 93.90 23 A 1 ATOM 185 C CA . LYS A 1 23 ? 1.925 8.417 13.025 1.00 94.54 23 A 1 ATOM 186 C C . LYS A 1 23 ? 1.941 8.939 11.584 1.00 95.11 23 A 1 ATOM 187 O O . LYS A 1 23 ? 2.848 9.701 11.237 1.00 94.71 23 A 1 ATOM 188 C CB . LYS A 1 23 ? 3.220 7.652 13.344 1.00 94.83 23 A 1 ATOM 189 C CG . LYS A 1 23 ? 3.346 7.251 14.821 1.00 93.12 23 A 1 ATOM 190 C CD . LYS A 1 23 ? 4.692 6.545 15.049 1.00 90.07 23 A 1 ATOM 191 C CE . LYS A 1 23 ? 4.784 5.985 16.471 1.00 86.14 23 A 1 ATOM 192 N NZ . LYS A 1 23 ? 5.955 5.075 16.610 1.00 77.98 23 A 1 ATOM 193 N N . LEU A 1 24 ? 0.995 8.535 10.724 1.00 94.62 24 A 1 ATOM 194 C CA . LEU A 1 24 ? 0.908 9.048 9.354 1.00 94.42 24 A 1 ATOM 195 C C . LEU A 1 24 ? 0.510 10.530 9.355 1.00 94.69 24 A 1 ATOM 196 O O . LEU A 1 24 ? -0.427 10.958 10.021 1.00 93.91 24 A 1 ATOM 197 C CB . LEU A 1 24 ? -0.061 8.216 8.499 1.00 94.08 24 A 1 ATOM 198 C CG . LEU A 1 24 ? 0.397 6.775 8.198 1.00 92.98 24 A 1 ATOM 199 C CD1 . LEU A 1 24 ? -0.668 6.082 7.339 1.00 91.57 24 A 1 ATOM 200 C CD2 . LEU A 1 24 ? 1.717 6.722 7.426 1.00 91.51 24 A 1 ATOM 201 N N . THR A 1 25 ? 1.224 11.320 8.556 1.00 94.77 25 A 1 ATOM 202 C CA . THR A 1 25 ? 1.010 12.767 8.419 1.00 94.81 25 A 1 ATOM 203 C C . THR A 1 25 ? 0.909 13.160 6.945 1.00 94.94 25 A 1 ATOM 204 O O . THR A 1 25 ? 1.247 12.389 6.044 1.00 94.72 25 A 1 ATOM 205 C CB . THR A 1 25 ? 2.135 13.568 9.097 1.00 95.03 25 A 1 ATOM 206 O OG1 . THR A 1 25 ? 3.347 13.394 8.401 1.00 93.37 25 A 1 ATOM 207 C CG2 . THR A 1 25 ? 2.357 13.206 10.567 1.00 91.73 25 A 1 ATOM 208 N N . ALA A 1 26 ? 0.499 14.396 6.663 1.00 95.33 26 A 1 ATOM 209 C CA . ALA A 1 26 ? 0.424 14.918 5.294 1.00 95.23 26 A 1 ATOM 210 C C . ALA A 1 26 ? 1.766 14.855 4.529 1.00 95.13 26 A 1 ATOM 211 O O . ALA A 1 26 ? 1.772 14.777 3.302 1.00 93.74 26 A 1 ATOM 212 C CB . ALA A 1 26 ? -0.100 16.360 5.371 1.00 94.56 26 A 1 ATOM 213 N N . ILE A 1 27 ? 2.898 14.859 5.237 1.00 96.14 27 A 1 ATOM 214 C CA . ILE A 1 27 ? 4.234 14.756 4.624 1.00 95.92 27 A 1 ATOM 215 C C . ILE A 1 27 ? 4.437 13.377 3.980 1.00 96.15 27 A 1 ATOM 216 O O . ILE A 1 27 ? 5.070 13.273 2.927 1.00 94.99 27 A 1 ATOM 217 C CB . ILE A 1 27 ? 5.326 15.084 5.677 1.00 94.92 27 A 1 ATOM 218 C CG1 . ILE A 1 27 ? 5.172 16.550 6.159 1.00 86.16 27 A 1 ATOM 219 C CG2 . ILE A 1 27 ? 6.742 14.856 5.108 1.00 83.81 27 A 1 ATOM 220 C CD1 . ILE A 1 27 ? 6.094 16.941 7.328 1.00 76.36 27 A 1 ATOM 221 N N . ASP A 1 28 ? 3.843 12.327 4.559 1.00 96.10 28 A 1 ATOM 222 C CA . ASP A 1 28 ? 3.987 10.951 4.073 1.00 96.04 28 A 1 ATOM 223 C C . ASP A 1 28 ? 3.237 10.707 2.763 1.00 95.88 28 A 1 ATOM 224 O O . ASP A 1 28 ? 3.584 9.792 2.013 1.00 95.49 28 A 1 ATOM 225 C CB . ASP A 1 28 ? 3.504 9.974 5.144 1.00 96.46 28 A 1 ATOM 226 C CG . ASP A 1 28 ? 4.243 10.204 6.454 1.00 96.12 28 A 1 ATOM 227 O OD1 . ASP A 1 28 ? 5.480 10.025 6.510 1.00 93.38 28 A 1 ATOM 228 O OD2 . ASP A 1 28 ? 3.583 10.606 7.437 1.00 94.03 28 A 1 ATOM 229 N N . TYR A 1 29 ? 2.271 11.566 2.424 1.00 94.53 29 A 1 ATOM 230 C CA . TYR A 1 29 ? 1.464 11.442 1.209 1.00 93.28 29 A 1 ATOM 231 C C . TYR A 1 29 ? 2.317 11.351 -0.063 1.00 92.81 29 A 1 ATOM 232 O O . TYR A 1 29 ? 2.032 10.555 -0.960 1.00 91.79 29 A 1 ATOM 233 C CB . TYR A 1 29 ? 0.507 12.634 1.125 1.00 91.72 29 A 1 ATOM 234 C CG . TYR A 1 29 ? -0.510 12.495 0.009 1.00 90.26 29 A 1 ATOM 235 C CD1 . TYR A 1 29 ? -0.349 13.189 -1.209 1.00 86.75 29 A 1 ATOM 236 C CD2 . TYR A 1 29 ? -1.625 11.653 0.204 1.00 86.68 29 A 1 ATOM 237 C CE1 . TYR A 1 29 ? -1.325 13.071 -2.217 1.00 84.47 29 A 1 ATOM 238 C CE2 . TYR A 1 29 ? -2.602 11.532 -0.801 1.00 84.39 29 A 1 ATOM 239 C CZ . TYR A 1 29 ? -2.460 12.253 -2.007 1.00 85.40 29 A 1 ATOM 240 O OH . TYR A 1 29 ? -3.432 12.172 -2.955 1.00 83.53 29 A 1 ATOM 241 N N . LYS A 1 30 ? 3.412 12.108 -0.144 1.00 92.14 30 A 1 ATOM 242 C CA . LYS A 1 30 ? 4.341 12.046 -1.284 1.00 90.96 30 A 1 ATOM 243 C C . LYS A 1 30 ? 4.994 10.666 -1.417 1.00 90.79 30 A 1 ATOM 244 O O . LYS A 1 30 ? 5.151 10.173 -2.536 1.00 89.89 30 A 1 ATOM 245 C CB . LYS A 1 30 ? 5.391 13.161 -1.140 1.00 90.36 30 A 1 ATOM 246 C CG . LYS A 1 30 ? 6.324 13.235 -2.360 1.00 80.06 30 A 1 ATOM 247 C CD . LYS A 1 30 ? 7.361 14.352 -2.188 1.00 76.59 30 A 1 ATOM 248 C CE . LYS A 1 30 ? 8.314 14.385 -3.390 1.00 66.96 30 A 1 ATOM 249 N NZ . LYS A 1 30 ? 9.365 15.424 -3.222 1.00 59.25 30 A 1 ATOM 250 N N . THR A 1 31 ? 5.380 10.061 -0.299 1.00 94.86 31 A 1 ATOM 251 C CA . THR A 1 31 ? 5.989 8.723 -0.256 1.00 95.03 31 A 1 ATOM 252 C C . THR A 1 31 ? 4.969 7.653 -0.630 1.00 94.59 31 A 1 ATOM 253 O O . THR A 1 31 ? 5.265 6.818 -1.482 1.00 93.56 31 A 1 ATOM 254 C CB . THR A 1 31 ? 6.595 8.447 1.126 1.00 95.50 31 A 1 ATOM 255 O OG1 . THR A 1 31 ? 7.564 9.440 1.386 1.00 93.95 31 A 1 ATOM 256 C CG2 . THR A 1 31 ? 7.315 7.104 1.194 1.00 93.57 31 A 1 ATOM 257 N N . ILE A 1 32 ? 3.743 7.745 -0.098 1.00 93.65 32 A 1 ATOM 258 C CA . ILE A 1 32 ? 2.626 6.852 -0.444 1.00 92.72 32 A 1 ATOM 259 C C . ILE A 1 32 ? 2.367 6.886 -1.958 1.00 91.36 32 A 1 ATOM 260 O O . ILE A 1 32 ? 2.411 5.853 -2.621 1.00 90.29 32 A 1 ATOM 261 C CB . ILE A 1 32 ? 1.372 7.236 0.380 1.00 93.04 32 A 1 ATOM 262 C CG1 . ILE A 1 32 ? 1.608 6.975 1.890 1.00 93.04 32 A 1 ATOM 263 C CG2 . ILE A 1 32 ? 0.134 6.463 -0.095 1.00 92.61 32 A 1 ATOM 264 C CD1 . ILE A 1 32 ? 0.585 7.657 2.809 1.00 91.46 32 A 1 ATOM 265 N N . CYS A 1 33 ? 2.221 8.082 -2.550 1.00 89.13 33 A 1 ATOM 266 C CA . CYS A 1 33 ? 2.032 8.229 -3.998 1.00 86.81 33 A 1 ATOM 267 C C . CYS A 1 33 ? 3.238 7.764 -4.835 1.00 86.17 33 A 1 ATOM 268 O O . CYS A 1 33 ? 3.086 7.470 -6.018 1.00 85.33 33 A 1 ATOM 269 C CB . CYS A 1 33 ? 1.750 9.702 -4.320 1.00 86.25 33 A 1 ATOM 270 S SG . CYS A 1 33 ? 0.182 10.236 -3.587 1.00 84.89 33 A 1 ATOM 271 N N . ARG A 1 34 ? 4.449 7.770 -4.289 1.00 89.19 34 A 1 ATOM 272 C CA . ARG A 1 34 ? 5.639 7.219 -4.966 1.00 88.78 34 A 1 ATOM 273 C C . ARG A 1 34 ? 5.549 5.695 -5.059 1.00 88.85 34 A 1 ATOM 274 O O . ARG A 1 34 ? 5.812 5.164 -6.129 1.00 87.78 34 A 1 ATOM 275 C CB . ARG A 1 34 ? 6.925 7.679 -4.250 1.00 88.53 34 A 1 ATOM 276 C CG . ARG A 1 34 ? 8.215 7.205 -4.959 1.00 78.55 34 A 1 ATOM 277 C CD . ARG A 1 34 ? 9.497 7.630 -4.223 1.00 77.45 34 A 1 ATOM 278 N NE . ARG A 1 34 ? 9.704 6.898 -2.947 1.00 69.46 34 A 1 ATOM 279 C CZ . ARG A 1 34 ? 10.852 6.374 -2.487 1.00 63.80 34 A 1 ATOM 280 N NH1 . ARG A 1 34 ? 11.991 6.506 -3.098 1.00 58.24 34 A 1 ATOM 281 N NH2 . ARG A 1 34 ? 10.890 5.674 -1.394 1.00 52.56 34 A 1 ATOM 282 N N . ILE A 1 35 ? 5.157 5.040 -3.979 1.00 91.36 35 A 1 ATOM 283 C CA . ILE A 1 35 ? 4.989 3.578 -3.922 1.00 91.40 35 A 1 ATOM 284 C C . ILE A 1 35 ? 3.817 3.145 -4.810 1.00 90.24 35 A 1 ATOM 285 O O . ILE A 1 35 ? 4.000 2.275 -5.657 1.00 89.13 35 A 1 ATOM 286 C CB . ILE A 1 35 ? 4.813 3.111 -2.458 1.00 92.69 35 A 1 ATOM 287 C CG1 . ILE A 1 35 ? 6.064 3.447 -1.615 1.00 92.39 35 A 1 ATOM 288 C CG2 . ILE A 1 35 ? 4.546 1.592 -2.401 1.00 92.25 35 A 1 ATOM 289 C CD1 . ILE A 1 35 ? 5.779 3.392 -0.113 1.00 90.12 35 A 1 ATOM 290 N N . GLU A 1 36 ? 2.667 3.809 -4.710 1.00 89.70 36 A 1 ATOM 291 C CA . GLU A 1 36 ? 1.492 3.574 -5.572 1.00 88.01 36 A 1 ATOM 292 C C . GLU A 1 36 ? 1.876 3.598 -7.063 1.00 86.96 36 A 1 ATOM 293 O O . GLU A 1 36 ? 1.592 2.663 -7.809 1.00 85.97 36 A 1 ATOM 294 C CB . GLU A 1 36 ? 0.430 4.653 -5.259 1.00 86.74 36 A 1 ATOM 295 C CG . GLU A 1 36 ? -0.864 4.541 -6.084 1.00 84.10 36 A 1 ATOM 296 C CD . GLU A 1 36 ? -1.835 5.722 -5.848 1.00 83.53 36 A 1 ATOM 297 O OE1 . GLU A 1 36 ? -3.061 5.543 -5.967 1.00 77.25 36 A 1 ATOM 298 O OE2 . GLU A 1 36 ? -1.380 6.868 -5.568 1.00 77.83 36 A 1 ATOM 299 N N . ARG A 1 37 ? 2.606 4.626 -7.507 1.00 86.99 37 A 1 ATOM 300 C CA . ARG A 1 37 ? 3.074 4.729 -8.904 1.00 85.19 37 A 1 ATOM 301 C C . ARG A 1 37 ? 4.061 3.629 -9.288 1.00 85.22 37 A 1 ATOM 302 O O . ARG A 1 37 ? 4.063 3.207 -10.437 1.00 83.67 37 A 1 ATOM 303 C CB . ARG A 1 37 ? 3.710 6.096 -9.152 1.00 82.95 37 A 1 ATOM 304 C CG . ARG A 1 37 ? 2.640 7.179 -9.301 1.00 74.21 37 A 1 ATOM 305 C CD . ARG A 1 37 ? 3.286 8.538 -9.596 1.00 72.11 37 A 1 ATOM 306 N NE . ARG A 1 37 ? 4.078 9.026 -8.445 1.00 65.26 37 A 1 ATOM 307 C CZ . ARG A 1 37 ? 4.869 10.082 -8.436 1.00 58.14 37 A 1 ATOM 308 N NH1 . ARG A 1 37 ? 5.050 10.811 -9.506 1.00 55.00 37 A 1 ATOM 309 N NH2 . ARG A 1 37 ? 5.492 10.425 -7.349 1.00 50.65 37 A 1 ATOM 310 N N . LYS A 1 38 ? 4.908 3.199 -8.359 1.00 85.95 38 A 1 ATOM 311 C CA . LYS A 1 38 ? 5.842 2.088 -8.591 1.00 85.43 38 A 1 ATOM 312 C C . LYS A 1 38 ? 5.089 0.773 -8.828 1.00 85.12 38 A 1 ATOM 313 O O . LYS A 1 38 ? 5.507 0.002 -9.683 1.00 83.17 38 A 1 ATOM 314 C CB . LYS A 1 38 ? 6.821 2.001 -7.409 1.00 85.43 38 A 1 ATOM 315 C CG . LYS A 1 38 ? 7.937 0.975 -7.642 1.00 80.56 38 A 1 ATOM 316 C CD . LYS A 1 38 ? 8.902 0.952 -6.445 1.00 79.54 38 A 1 ATOM 317 C CE . LYS A 1 38 ? 10.032 -0.040 -6.714 1.00 74.67 38 A 1 ATOM 318 N NZ . LYS A 1 38 ? 10.996 -0.100 -5.581 1.00 69.46 38 A 1 ATOM 319 N N . MET A 1 39 ? 3.979 0.558 -8.116 1.00 85.19 39 A 1 ATOM 320 C CA . MET A 1 39 ? 3.108 -0.613 -8.297 1.00 84.47 39 A 1 ATOM 321 C C . MET A 1 39 ? 2.370 -0.588 -9.637 1.00 82.16 39 A 1 ATOM 322 O O . MET A 1 39 ? 2.337 -1.597 -10.330 1.00 78.79 39 A 1 ATOM 323 C CB . MET A 1 39 ? 2.096 -0.696 -7.150 1.00 85.01 39 A 1 ATOM 324 C CG . MET A 1 39 ? 2.764 -0.963 -5.805 1.00 83.17 39 A 1 ATOM 325 S SD . MET A 1 39 ? 1.620 -1.040 -4.403 1.00 81.46 39 A 1 ATOM 326 C CE . MET A 1 39 ? 0.802 -2.606 -4.796 1.00 74.51 39 A 1 ATOM 327 N N . ASN A 1 40 ? 1.841 0.574 -10.034 1.00 83.88 40 A 1 ATOM 328 C CA . ASN A 1 40 ? 1.112 0.734 -11.301 1.00 80.83 40 A 1 ATOM 329 C C . ASN A 1 40 ? 2.013 0.630 -12.547 1.00 78.74 40 A 1 ATOM 330 O O . ASN A 1 40 ? 1.525 0.496 -13.666 1.00 71.33 40 A 1 ATOM 331 C CB . ASN A 1 40 ? 0.356 2.076 -11.252 1.00 77.33 40 A 1 ATOM 332 C CG . ASN A 1 40 ? -0.775 2.082 -10.228 1.00 72.02 40 A 1 ATOM 333 O OD1 . ASN A 1 40 ? -1.187 1.067 -9.713 1.00 66.44 40 A 1 ATOM 334 N ND2 . ASN A 1 40 ? -1.321 3.228 -9.902 1.00 66.73 40 A 1 ATOM 335 N N . GLY A 1 41 ? 3.340 0.691 -12.378 1.00 75.56 41 A 1 ATOM 336 C CA . GLY A 1 41 ? 4.290 0.703 -13.489 1.00 72.47 41 A 1 ATOM 337 C C . GLY A 1 41 ? 4.255 2.015 -14.288 1.00 70.36 41 A 1 ATOM 338 O O . GLY A 1 41 ? 3.565 2.976 -13.956 1.00 65.31 41 A 1 ATOM 339 N N . LEU A 1 42 ? 5.039 2.068 -15.372 1.00 51.36 42 A 1 ATOM 340 C CA . LEU A 1 42 ? 4.976 3.170 -16.340 1.00 50.06 42 A 1 ATOM 341 C C . LEU A 1 42 ? 3.717 2.987 -17.198 1.00 50.18 42 A 1 ATOM 342 O O . LEU A 1 42 ? 3.775 2.401 -18.279 1.00 45.77 42 A 1 ATOM 343 C CB . LEU A 1 42 ? 6.255 3.207 -17.201 1.00 44.87 42 A 1 ATOM 344 C CG . LEU A 1 42 ? 7.525 3.653 -16.460 1.00 40.62 42 A 1 ATOM 345 C CD1 . LEU A 1 42 ? 8.756 3.360 -17.327 1.00 36.60 42 A 1 ATOM 346 C CD2 . LEU A 1 42 ? 7.520 5.153 -16.149 1.00 38.06 42 A 1 ATOM 347 N N . SER A 1 43 ? 2.568 3.469 -16.711 1.00 52.24 43 A 1 ATOM 348 C CA . SER A 1 43 ? 1.356 3.564 -17.522 1.00 53.09 43 A 1 ATOM 349 C C . SER A 1 43 ? 1.609 4.553 -18.662 1.00 54.36 43 A 1 ATOM 350 O O . SER A 1 43 ? 1.913 5.728 -18.454 1.00 52.35 43 A 1 ATOM 351 C CB . SER A 1 43 ? 0.162 3.972 -16.657 1.00 50.01 43 A 1 ATOM 352 O OG . SER A 1 43 ? -0.950 4.310 -17.451 1.00 43.94 43 A 1 ATOM 353 N N . VAL A 1 44 ? 1.537 4.057 -19.906 1.00 48.00 44 A 1 ATOM 354 C CA . VAL A 1 44 ? 1.663 4.881 -21.123 1.00 48.46 44 A 1 ATOM 355 C C . VAL A 1 44 ? 0.337 5.589 -21.441 1.00 49.63 44 A 1 ATOM 356 O O . VAL A 1 44 ? 0.299 6.497 -22.266 1.00 47.07 44 A 1 ATOM 357 C CB . VAL A 1 44 ? 2.184 4.046 -22.323 1.00 45.69 44 A 1 ATOM 358 C CG1 . VAL A 1 44 ? 2.939 4.936 -23.323 1.00 40.91 44 A 1 ATOM 359 C CG2 . VAL A 1 44 ? 3.150 2.923 -21.920 1.00 42.24 44 A 1 ATOM 360 N N . ASP A 1 45 ? -0.744 5.231 -20.734 1.00 50.68 45 A 1 ATOM 361 C CA . ASP A 1 45 ? -2.091 5.768 -20.917 1.00 52.97 45 A 1 ATOM 362 C C . ASP A 1 45 ? -2.439 6.798 -19.839 1.00 53.93 45 A 1 ATOM 363 O O . ASP A 1 45 ? -3.306 6.594 -18.981 1.00 52.04 45 A 1 ATOM 364 C CB . ASP A 1 45 ? -3.118 4.624 -20.997 1.00 50.99 45 A 1 ATOM 365 C CG . ASP A 1 45 ? -3.065 3.867 -22.328 1.00 46.19 45 A 1 ATOM 366 O OD1 . ASP A 1 45 ? -2.822 4.528 -23.364 1.00 43.00 45 A 1 ATOM 367 O OD2 . ASP A 1 45 ? -3.320 2.646 -22.305 1.00 42.21 45 A 1 ATOM 368 N N . ALA A 1 46 ? -1.820 7.977 -19.930 1.00 53.21 46 A 1 ATOM 369 C CA . ALA A 1 46 ? -2.155 9.124 -19.075 1.00 53.47 46 A 1 ATOM 370 C C . ALA A 1 46 ? -3.661 9.487 -19.091 1.00 54.00 46 A 1 ATOM 371 O O . ALA A 1 46 ? -4.185 10.046 -18.126 1.00 52.53 46 A 1 ATOM 372 C CB . ALA A 1 46 ? -1.302 10.315 -19.538 1.00 51.29 46 A 1 ATOM 373 N N . LEU A 1 47 ? -4.384 9.135 -20.173 1.00 48.22 47 A 1 ATOM 374 C CA . LEU A 1 47 ? -5.836 9.288 -20.297 1.00 47.77 47 A 1 ATOM 375 C C . LEU A 1 47 ? -6.599 8.304 -19.398 1.00 49.23 47 A 1 ATOM 376 O O . LEU A 1 47 ? -7.486 8.732 -18.664 1.00 47.47 47 A 1 ATOM 377 C CB . LEU A 1 47 ? -6.235 9.125 -21.777 1.00 44.98 47 A 1 ATOM 378 C CG . LEU A 1 47 ? -6.075 10.433 -22.574 1.00 39.98 47 A 1 ATOM 379 C CD1 . LEU A 1 47 ? -5.948 10.144 -24.066 1.00 36.20 47 A 1 ATOM 380 C CD2 . LEU A 1 47 ? -7.282 11.353 -22.368 1.00 38.51 47 A 1 ATOM 381 N N . ALA A 1 48 ? -6.235 7.016 -19.405 1.00 55.29 48 A 1 ATOM 382 C CA . ALA A 1 48 ? -6.862 6.005 -18.548 1.00 55.65 48 A 1 ATOM 383 C C . ALA A 1 48 ? -6.627 6.308 -17.058 1.00 55.69 48 A 1 ATOM 384 O O . ALA A 1 48 ? -7.578 6.304 -16.276 1.00 53.34 48 A 1 ATOM 385 C CB . ALA A 1 48 ? -6.338 4.620 -18.943 1.00 54.71 48 A 1 ATOM 386 N N . ASP A 1 49 ? -5.403 6.700 -16.690 1.00 59.60 49 A 1 ATOM 387 C CA . ASP A 1 49 ? -5.070 7.119 -15.324 1.00 59.84 49 A 1 ATOM 388 C C . ASP A 1 49 ? -5.884 8.347 -14.890 1.00 59.71 49 A 1 ATOM 389 O O . ASP A 1 49 ? -6.375 8.409 -13.765 1.00 57.38 49 A 1 ATOM 390 C CB . ASP A 1 49 ? -3.567 7.429 -15.216 1.00 58.24 49 A 1 ATOM 391 C CG . ASP A 1 49 ? -2.665 6.194 -15.292 1.00 54.03 49 A 1 ATOM 392 O OD1 . ASP A 1 49 ? -3.147 5.074 -15.028 1.00 51.46 49 A 1 ATOM 393 O OD2 . ASP A 1 49 ? -1.467 6.392 -15.602 1.00 50.38 49 A 1 ATOM 394 N N . SER A 1 50 ? -6.111 9.312 -15.790 1.00 52.01 50 A 1 ATOM 395 C CA . SER A 1 50 ? -6.924 10.500 -15.495 1.00 51.98 50 A 1 ATOM 396 C C . SER A 1 50 ? -8.413 10.177 -15.295 1.00 51.89 50 A 1 ATOM 397 O O . SER A 1 50 ? -9.061 10.772 -14.434 1.00 50.72 50 A 1 ATOM 398 C CB . SER A 1 50 ? -6.730 11.573 -16.572 1.00 49.70 50 A 1 ATOM 399 O OG . SER A 1 50 ? -7.439 11.302 -17.767 1.00 43.89 50 A 1 ATOM 400 N N . ILE A 1 51 ? -8.957 9.207 -16.047 1.00 53.46 51 A 1 ATOM 401 C CA . ILE A 1 51 ? -10.350 8.753 -15.928 1.00 53.40 51 A 1 ATOM 402 C C . ILE A 1 51 ? -10.539 7.962 -14.626 1.00 53.07 51 A 1 ATOM 403 O O . ILE A 1 51 ? -11.477 8.240 -13.879 1.00 51.96 51 A 1 ATOM 404 C CB . ILE A 1 51 ? -10.767 7.953 -17.185 1.00 52.07 51 A 1 ATOM 405 C CG1 . ILE A 1 51 ? -10.825 8.898 -18.412 1.00 47.58 51 A 1 ATOM 406 C CG2 . ILE A 1 51 ? -12.136 7.270 -16.985 1.00 49.08 51 A 1 ATOM 407 C CD1 . ILE A 1 51 ? -10.919 8.166 -19.758 1.00 46.60 51 A 1 ATOM 408 N N . ILE A 1 52 ? -9.632 7.043 -14.302 1.00 56.40 52 A 1 ATOM 409 C CA . ILE A 1 52 ? -9.675 6.273 -13.046 1.00 56.24 52 A 1 ATOM 410 C C . ILE A 1 52 ? -9.498 7.203 -11.834 1.00 55.09 52 A 1 ATOM 411 O O . ILE A 1 52 ? -10.254 7.112 -10.866 1.00 52.96 52 A 1 ATOM 412 C CB . ILE A 1 52 ? -8.628 5.135 -13.088 1.00 55.07 52 A 1 ATOM 413 C CG1 . ILE A 1 52 ? -9.003 4.110 -14.186 1.00 52.17 52 A 1 ATOM 414 C CG2 . ILE A 1 52 ? -8.528 4.425 -11.722 1.00 52.09 52 A 1 ATOM 415 C CD1 . ILE A 1 52 ? -7.890 3.102 -14.504 1.00 49.69 52 A 1 ATOM 416 N N . ALA A 1 53 ? -8.572 8.157 -11.900 1.00 58.01 53 A 1 ATOM 417 C CA . ALA A 1 53 ? -8.360 9.149 -10.842 1.00 57.69 53 A 1 ATOM 418 C C . ALA A 1 53 ? -9.550 10.112 -10.658 1.00 57.76 53 A 1 ATOM 419 O O . ALA A 1 53 ? -9.745 10.637 -9.562 1.00 55.56 53 A 1 ATOM 420 C CB . ALA A 1 53 ? -7.073 9.931 -11.148 1.00 55.57 53 A 1 ATOM 421 N N . SER A 1 54 ? -10.360 10.341 -11.712 1.00 51.28 54 A 1 ATOM 422 C CA . SER A 1 54 ? -11.565 11.183 -11.641 1.00 50.91 54 A 1 ATOM 423 C C . SER A 1 54 ? -12.828 10.422 -11.217 1.00 50.50 54 A 1 ATOM 424 O O . SER A 1 54 ? -13.738 11.030 -10.654 1.00 47.56 54 A 1 ATOM 425 C CB . SER A 1 54 ? -11.788 11.915 -12.967 1.00 47.33 54 A 1 ATOM 426 O OG . SER A 1 54 ? -12.081 11.026 -14.028 1.00 42.25 54 A 1 ATOM 427 N N . ALA A 1 55 ? -12.892 9.104 -11.450 1.00 55.99 55 A 1 ATOM 428 C CA . ALA A 1 55 ? -14.060 8.272 -11.157 1.00 55.85 55 A 1 ATOM 429 C C . ALA A 1 55 ? -14.013 7.573 -9.783 1.00 57.88 55 A 1 ATOM 430 O O . ALA A 1 55 ? -15.059 7.183 -9.259 1.00 54.05 55 A 1 ATOM 431 C CB . ALA A 1 55 ? -14.213 7.260 -12.295 1.00 51.93 55 A 1 ATOM 432 N N . GLY A 1 56 ? -12.832 7.419 -9.187 1.00 59.57 56 A 1 ATOM 433 C CA . GLY A 1 56 ? -12.643 6.765 -7.889 1.00 61.09 56 A 1 ATOM 434 C C . GLY A 1 56 ? -11.954 7.664 -6.868 1.00 64.21 56 A 1 ATOM 435 O O . GLY A 1 56 ? -11.080 8.465 -7.193 1.00 61.41 56 A 1 ATOM 436 N N . THR A 1 57 ? -12.310 7.518 -5.588 1.00 68.45 57 A 1 ATOM 437 C CA . THR A 1 57 ? -11.490 8.112 -4.524 1.00 71.53 57 A 1 ATOM 438 C C . THR A 1 57 ? -10.204 7.297 -4.386 1.00 75.59 57 A 1 ATOM 439 O O . THR A 1 57 ? -10.230 6.078 -4.532 1.00 72.95 57 A 1 ATOM 440 C CB . THR A 1 57 ? -12.226 8.205 -3.176 1.00 66.33 57 A 1 ATOM 441 O OG1 . THR A 1 57 ? -12.424 6.947 -2.585 1.00 58.16 57 A 1 ATOM 442 C CG2 . THR A 1 57 ? -13.586 8.900 -3.278 1.00 57.75 57 A 1 ATOM 443 N N . ARG A 1 58 ? -9.073 7.919 -4.038 1.00 74.33 58 A 1 ATOM 444 C CA . ARG A 1 58 ? -7.825 7.163 -3.791 1.00 77.08 58 A 1 ATOM 445 C C . ARG A 1 58 ? -8.000 6.041 -2.760 1.00 79.75 58 A 1 ATOM 446 O O . ARG A 1 58 ? -7.350 5.017 -2.865 1.00 78.79 58 A 1 ATOM 447 C CB . ARG A 1 58 ? -6.689 8.097 -3.366 1.00 75.10 58 A 1 ATOM 448 C CG . ARG A 1 58 ? -6.167 8.914 -4.555 1.00 72.48 58 A 1 ATOM 449 C CD . ARG A 1 58 ? -4.894 9.652 -4.147 1.00 70.40 58 A 1 ATOM 450 N NE . ARG A 1 58 ? -4.353 10.437 -5.267 1.00 67.17 58 A 1 ATOM 451 C CZ . ARG A 1 58 ? -3.178 10.277 -5.848 1.00 61.78 58 A 1 ATOM 452 N NH1 . ARG A 1 58 ? -2.306 9.387 -5.461 1.00 59.20 58 A 1 ATOM 453 N NH2 . ARG A 1 58 ? -2.849 11.028 -6.855 1.00 55.68 58 A 1 ATOM 454 N N . LYS A 1 59 ? -8.942 6.194 -1.829 1.00 77.97 59 A 1 ATOM 455 C CA . LYS A 1 59 ? -9.298 5.153 -0.851 1.00 78.90 59 A 1 ATOM 456 C C . LYS A 1 59 ? -9.784 3.846 -1.500 1.00 80.68 59 A 1 ATOM 457 O O . LYS A 1 59 ? -9.725 2.805 -0.854 1.00 79.28 59 A 1 ATOM 458 C CB . LYS A 1 59 ? -10.379 5.679 0.109 1.00 77.42 59 A 1 ATOM 459 C CG . LYS A 1 59 ? -9.947 6.904 0.932 1.00 72.89 59 A 1 ATOM 460 C CD . LYS A 1 59 ? -11.045 7.275 1.944 1.00 70.92 59 A 1 ATOM 461 C CE . LYS A 1 59 ? -10.627 8.453 2.832 1.00 65.72 59 A 1 ATOM 462 N NZ . LYS A 1 59 ? -11.616 8.694 3.925 1.00 59.83 59 A 1 ATOM 463 N N . THR A 1 60 ? -10.274 3.882 -2.753 1.00 79.98 60 A 1 ATOM 464 C CA . THR A 1 60 ? -10.716 2.682 -3.489 1.00 79.31 60 A 1 ATOM 465 C C . THR A 1 60 ? -9.592 2.002 -4.283 1.00 81.22 60 A 1 ATOM 466 O O . THR A 1 60 ? -9.765 0.854 -4.671 1.00 79.30 60 A 1 ATOM 467 C CB . THR A 1 60 ? -11.934 2.963 -4.393 1.00 76.50 60 A 1 ATOM 468 O OG1 . THR A 1 60 ? -11.670 3.937 -5.369 1.00 71.23 60 A 1 ATOM 469 C CG2 . THR A 1 60 ? -13.140 3.459 -3.588 1.00 69.80 60 A 1 ATOM 470 N N . SER A 1 61 ? -8.429 2.643 -4.472 1.00 82.16 61 A 1 ATOM 471 C CA . SER A 1 61 ? -7.251 2.028 -5.109 1.00 84.28 61 A 1 ATOM 472 C C . SER A 1 61 ? -6.579 1.040 -4.144 1.00 87.23 61 A 1 ATOM 473 O O . SER A 1 61 ? -6.232 1.407 -3.020 1.00 87.64 61 A 1 ATOM 474 C CB . SER A 1 61 ? -6.269 3.101 -5.601 1.00 81.57 61 A 1 ATOM 475 O OG . SER A 1 61 ? -4.941 2.621 -5.710 1.00 74.45 61 A 1 ATOM 476 N N . SER A 1 62 ? -6.417 -0.211 -4.590 1.00 85.90 62 A 1 ATOM 477 C CA . SER A 1 62 ? -5.708 -1.254 -3.841 1.00 87.89 62 A 1 ATOM 478 C C . SER A 1 62 ? -4.244 -0.874 -3.616 1.00 90.17 62 A 1 ATOM 479 O O . SER A 1 62 ? -3.737 -0.973 -2.502 1.00 90.19 62 A 1 ATOM 480 C CB . SER A 1 62 ? -5.797 -2.593 -4.584 1.00 86.09 62 A 1 ATOM 481 O OG . SER A 1 62 ? -7.153 -2.991 -4.696 1.00 76.48 62 A 1 ATOM 482 N N . GLU A 1 63 ? -3.599 -0.332 -4.643 1.00 87.58 63 A 1 ATOM 483 C CA . GLU A 1 63 ? -2.201 0.093 -4.613 1.00 88.49 63 A 1 ATOM 484 C C . GLU A 1 63 ? -1.986 1.230 -3.610 1.00 90.56 63 A 1 ATOM 485 O O . GLU A 1 63 ? -1.023 1.223 -2.844 1.00 90.68 63 A 1 ATOM 486 C CB . GLU A 1 63 ? -1.750 0.545 -6.013 1.00 86.48 63 A 1 ATOM 487 C CG . GLU A 1 63 ? -1.890 -0.511 -7.129 1.00 81.92 63 A 1 ATOM 488 C CD . GLU A 1 63 ? -3.321 -0.722 -7.661 1.00 78.96 63 A 1 ATOM 489 O OE1 . GLU A 1 63 ? -3.516 -1.697 -8.414 1.00 69.97 63 A 1 ATOM 490 O OE2 . GLU A 1 63 ? -4.238 0.059 -7.288 1.00 69.60 63 A 1 ATOM 491 N N . PHE A 1 64 ? -2.927 2.179 -3.545 1.00 89.01 64 A 1 ATOM 492 C CA . PHE A 1 64 ? -2.872 3.256 -2.560 1.00 90.11 64 A 1 ATOM 493 C C . PHE A 1 64 ? -3.032 2.730 -1.128 1.00 91.61 64 A 1 ATOM 494 O O . PHE A 1 64 ? -2.316 3.171 -0.229 1.00 91.80 64 A 1 ATOM 495 C CB . PHE A 1 64 ? -3.941 4.302 -2.890 1.00 89.57 64 A 1 ATOM 496 C CG . PHE A 1 64 ? -3.835 5.552 -2.036 1.00 88.91 64 A 1 ATOM 497 C CD1 . PHE A 1 64 ? -4.695 5.746 -0.940 1.00 87.90 64 A 1 ATOM 498 C CD2 . PHE A 1 64 ? -2.847 6.510 -2.323 1.00 88.12 64 A 1 ATOM 499 C CE1 . PHE A 1 64 ? -4.572 6.897 -0.138 1.00 87.26 64 A 1 ATOM 500 C CE2 . PHE A 1 64 ? -2.720 7.659 -1.522 1.00 86.95 64 A 1 ATOM 501 C CZ . PHE A 1 64 ? -3.583 7.852 -0.429 1.00 87.16 64 A 1 ATOM 502 N N . ARG A 1 65 ? -3.942 1.772 -0.907 1.00 92.56 65 A 1 ATOM 503 C CA . ARG A 1 65 ? -4.122 1.133 0.408 1.00 93.35 65 A 1 ATOM 504 C C . ARG A 1 65 ? -2.874 0.367 0.845 1.00 94.60 65 A 1 ATOM 505 O O . ARG A 1 65 ? -2.416 0.560 1.968 1.00 94.68 65 A 1 ATOM 506 C CB . ARG A 1 65 ? -5.345 0.206 0.394 1.00 92.11 65 A 1 ATOM 507 C CG . ARG A 1 65 ? -6.667 0.977 0.355 1.00 88.90 65 A 1 ATOM 508 C CD . ARG A 1 65 ? -7.861 0.042 0.587 1.00 86.64 65 A 1 ATOM 509 N NE . ARG A 1 65 ? -8.008 -1.002 -0.447 1.00 79.67 65 A 1 ATOM 510 C CZ . ARG A 1 65 ? -8.730 -0.936 -1.544 1.00 76.13 65 A 1 ATOM 511 N NH1 . ARG A 1 65 ? -9.374 0.142 -1.893 1.00 69.01 65 A 1 ATOM 512 N NH2 . ARG A 1 65 ? -8.838 -1.975 -2.323 1.00 67.61 65 A 1 ATOM 513 N N . ILE A 1 66 ? -2.296 -0.435 -0.054 1.00 93.64 66 A 1 ATOM 514 C CA . ILE A 1 66 ? -1.040 -1.160 0.187 1.00 94.92 66 A 1 ATOM 515 C C . ILE A 1 66 ? 0.088 -0.175 0.514 1.00 95.73 66 A 1 ATOM 516 O O . ILE A 1 66 ? 0.805 -0.352 1.498 1.00 95.80 66 A 1 ATOM 517 C CB . ILE A 1 66 ? -0.693 -2.041 -1.038 1.00 94.70 66 A 1 ATOM 518 C CG1 . ILE A 1 66 ? -1.715 -3.192 -1.193 1.00 93.80 66 A 1 ATOM 519 C CG2 . ILE A 1 66 ? 0.732 -2.617 -0.912 1.00 93.70 66 A 1 ATOM 520 C CD1 . ILE A 1 66 ? -1.658 -3.916 -2.545 1.00 91.68 66 A 1 ATOM 521 N N . ALA A 1 67 ? 0.222 0.896 -0.263 1.00 94.62 67 A 1 ATOM 522 C CA . ALA A 1 67 ? 1.238 1.917 -0.037 1.00 94.92 67 A 1 ATOM 523 C C . ALA A 1 67 ? 1.074 2.627 1.321 1.00 95.77 67 A 1 ATOM 524 O O . ALA A 1 67 ? 2.068 2.884 2.001 1.00 95.90 67 A 1 ATOM 525 C CB . ALA A 1 67 ? 1.187 2.906 -1.208 1.00 94.26 67 A 1 ATOM 526 N N . CYS A 1 68 ? -0.167 2.916 1.745 1.00 94.80 68 A 1 ATOM 527 C CA . CYS A 1 68 ? -0.446 3.460 3.077 1.00 95.05 68 A 1 ATOM 528 C C . CYS A 1 68 ? -0.022 2.492 4.189 1.00 95.89 68 A 1 ATOM 529 O O . CYS A 1 68 ? 0.648 2.910 5.131 1.00 95.76 68 A 1 ATOM 530 C CB . CYS A 1 68 ? -1.942 3.783 3.213 1.00 93.70 68 A 1 ATOM 531 S SG . CYS A 1 68 ? -2.369 5.253 2.245 1.00 84.38 68 A 1 ATOM 532 N N . ALA A 1 69 ? -0.378 1.203 4.055 1.00 96.13 69 A 1 ATOM 533 C CA . ALA A 1 69 ? 0.005 0.179 5.023 1.00 96.64 69 A 1 ATOM 534 C C . ALA A 1 69 ? 1.531 0.028 5.102 1.00 97.16 69 A 1 ATOM 535 O O . ALA A 1 69 ? 2.088 -0.001 6.197 1.00 97.14 69 A 1 ATOM 536 C CB . ALA A 1 69 ? -0.686 -1.137 4.651 1.00 96.33 69 A 1 ATOM 537 N N . TRP A 1 70 ? 2.228 0.043 3.960 1.00 97.17 70 A 1 ATOM 538 C CA . TRP A 1 70 ? 3.690 -0.033 3.941 1.00 97.66 70 A 1 ATOM 539 C C . TRP A 1 70 ? 4.348 1.151 4.651 1.00 97.78 70 A 1 ATOM 540 O O . TRP A 1 70 ? 5.228 0.958 5.485 1.00 97.55 70 A 1 ATOM 541 C CB . TRP A 1 70 ? 4.197 -0.136 2.499 1.00 97.73 70 A 1 ATOM 542 C CG . TRP A 1 70 ? 5.690 -0.305 2.440 1.00 97.75 70 A 1 ATOM 543 C CD1 . TRP A 1 70 ? 6.580 0.602 1.971 1.00 96.77 70 A 1 ATOM 544 C CD2 . TRP A 1 70 ? 6.483 -1.422 2.940 1.00 97.73 70 A 1 ATOM 545 N NE1 . TRP A 1 70 ? 7.865 0.116 2.132 1.00 96.67 70 A 1 ATOM 546 C CE2 . TRP A 1 70 ? 7.866 -1.124 2.734 1.00 97.40 70 A 1 ATOM 547 C CE3 . TRP A 1 70 ? 6.180 -2.652 3.557 1.00 97.08 70 A 1 ATOM 548 C CZ2 . TRP A 1 70 ? 8.887 -2.003 3.122 1.00 96.93 70 A 1 ATOM 549 C CZ3 . TRP A 1 70 ? 7.199 -3.542 3.948 1.00 96.41 70 A 1 ATOM 550 C CH2 . TRP A 1 70 ? 8.551 -3.221 3.734 1.00 96.28 70 A 1 ATOM 551 N N . VAL A 1 71 ? 3.911 2.382 4.396 1.00 96.92 71 A 1 ATOM 552 C CA . VAL A 1 71 ? 4.473 3.563 5.076 1.00 97.19 71 A 1 ATOM 553 C C . VAL A 1 71 ? 4.174 3.537 6.580 1.00 97.27 71 A 1 ATOM 554 O O . VAL A 1 71 ? 5.034 3.914 7.377 1.00 97.07 71 A 1 ATOM 555 C CB . VAL A 1 71 ? 3.997 4.868 4.411 1.00 97.11 71 A 1 ATOM 556 C CG1 . VAL A 1 71 ? 4.523 6.117 5.135 1.00 95.94 71 A 1 ATOM 557 C CG2 . VAL A 1 71 ? 4.526 4.957 2.973 1.00 95.79 71 A 1 ATOM 558 N N . ALA A 1 72 ? 2.995 3.043 6.986 1.00 96.72 72 A 1 ATOM 559 C CA . ALA A 1 72 ? 2.680 2.826 8.396 1.00 96.58 72 A 1 ATOM 560 C C . ALA A 1 72 ? 3.590 1.758 9.033 1.00 96.95 72 A 1 ATOM 561 O O . ALA A 1 72 ? 4.045 1.950 10.160 1.00 96.86 72 A 1 ATOM 562 C CB . ALA A 1 72 ? 1.195 2.457 8.523 1.00 96.08 72 A 1 ATOM 563 N N . ALA A 1 73 ? 3.917 0.680 8.301 1.00 97.46 73 A 1 ATOM 564 C CA . ALA A 1 73 ? 4.863 -0.341 8.748 1.00 97.71 73 A 1 ATOM 565 C C . ALA A 1 73 ? 6.280 0.224 8.912 1.00 97.95 73 A 1 ATOM 566 O O . ALA A 1 73 ? 6.904 0.005 9.944 1.00 97.88 73 A 1 ATOM 567 C CB . ALA A 1 73 ? 4.844 -1.520 7.770 1.00 97.57 73 A 1 ATOM 568 N N . VAL A 1 74 ? 6.760 1.024 7.957 1.00 97.84 74 A 1 ATOM 569 C CA . VAL A 1 74 ? 8.069 1.707 8.047 1.00 97.94 74 A 1 ATOM 570 C C . VAL A 1 74 ? 8.148 2.608 9.284 1.00 97.91 74 A 1 ATOM 571 O O . VAL A 1 74 ? 9.180 2.681 9.936 1.00 97.46 74 A 1 ATOM 572 C CB . VAL A 1 74 ? 8.338 2.514 6.762 1.00 97.82 74 A 1 ATOM 573 C CG1 . VAL A 1 74 ? 9.569 3.429 6.859 1.00 96.80 74 A 1 ATOM 574 C CG2 . VAL A 1 74 ? 8.567 1.575 5.571 1.00 96.73 74 A 1 ATOM 575 N N . LYS A 1 75 ? 7.047 3.283 9.649 1.00 97.41 75 A 1 ATOM 576 C CA . LYS A 1 75 ? 7.009 4.141 10.848 1.00 97.17 75 A 1 ATOM 577 C C . LYS A 1 75 ? 6.885 3.377 12.169 1.00 97.31 75 A 1 ATOM 578 O O . LYS A 1 75 ? 7.192 3.943 13.225 1.00 96.57 75 A 1 ATOM 579 C CB . LYS A 1 75 ? 5.855 5.139 10.724 1.00 96.95 75 A 1 ATOM 580 C CG . LYS A 1 75 ? 6.189 6.226 9.701 1.00 95.54 75 A 1 ATOM 581 C CD . LYS A 1 75 ? 5.160 7.350 9.787 1.00 92.62 75 A 1 ATOM 582 C CE . LYS A 1 75 ? 5.708 8.542 9.023 1.00 90.05 75 A 1 ATOM 583 N NZ . LYS A 1 75 ? 5.058 9.801 9.434 1.00 84.74 75 A 1 ATOM 584 N N . GLY A 1 76 ? 6.368 2.160 12.117 1.00 97.29 76 A 1 ATOM 585 C CA . GLY A 1 76 ? 6.105 1.331 13.290 1.00 97.25 76 A 1 ATOM 586 C C . GLY A 1 76 ? 7.161 0.266 13.573 1.00 97.64 76 A 1 ATOM 587 O O . GLY A 1 76 ? 7.196 -0.241 14.695 1.00 97.16 76 A 1 ATOM 588 N N . THR A 1 77 ? 7.995 -0.066 12.590 1.00 97.83 77 A 1 ATOM 589 C CA . THR A 1 77 ? 8.959 -1.168 12.669 1.00 98.03 77 A 1 ATOM 590 C C . THR A 1 77 ? 10.389 -0.631 12.620 1.00 98.02 77 A 1 ATOM 591 O O . THR A 1 77 ? 10.810 -0.051 11.620 1.00 97.63 77 A 1 ATOM 592 C CB . THR A 1 77 ? 8.738 -2.177 11.539 1.00 97.98 77 A 1 ATOM 593 O OG1 . THR A 1 77 ? 7.374 -2.527 11.453 1.00 96.48 77 A 1 ATOM 594 C CG2 . THR A 1 77 ? 9.525 -3.465 11.753 1.00 96.38 77 A 1 ATOM 595 N N . ASP A 1 78 ? 11.143 -0.842 13.686 1.00 97.42 78 A 1 ATOM 596 C CA . ASP A 1 78 ? 12.536 -0.404 13.765 1.00 97.30 78 A 1 ATOM 597 C C . ASP A 1 78 ? 13.408 -1.112 12.717 1.00 97.56 78 A 1 ATOM 598 O O . ASP A 1 78 ? 13.353 -2.329 12.546 1.00 96.90 78 A 1 ATOM 599 C CB . ASP A 1 78 ? 13.095 -0.630 15.182 1.00 96.43 78 A 1 ATOM 600 C CG . ASP A 1 78 ? 12.504 0.316 16.235 1.00 88.50 78 A 1 ATOM 601 O OD1 . ASP A 1 78 ? 12.094 1.441 15.862 1.00 83.45 78 A 1 ATOM 602 O OD2 . ASP A 1 78 ? 12.492 -0.077 17.421 1.00 83.85 78 A 1 ATOM 603 N N . GLY A 1 79 ? 14.231 -0.341 12.017 1.00 97.56 79 A 1 ATOM 604 C CA . GLY A 1 79 ? 15.154 -0.843 10.991 1.00 97.51 79 A 1 ATOM 605 C C . GLY A 1 79 ? 14.528 -1.095 9.614 1.00 97.83 79 A 1 ATOM 606 O O . GLY A 1 79 ? 15.273 -1.346 8.666 1.00 97.00 79 A 1 ATOM 607 N N . LEU A 1 80 ? 13.196 -0.983 9.466 1.00 97.79 80 A 1 ATOM 608 C CA . LEU A 1 80 ? 12.523 -1.085 8.169 1.00 97.99 80 A 1 ATOM 609 C C . LEU A 1 80 ? 12.634 0.241 7.402 1.00 98.03 80 A 1 ATOM 610 O O . LEU A 1 80 ? 12.383 1.318 7.940 1.00 97.54 80 A 1 ATOM 611 C CB . LEU A 1 80 ? 11.058 -1.500 8.387 1.00 97.94 80 A 1 ATOM 612 C CG . LEU A 1 80 ? 10.315 -1.899 7.099 1.00 97.33 80 A 1 ATOM 613 C CD1 . LEU A 1 80 ? 10.804 -3.240 6.550 1.00 95.60 80 A 1 ATOM 614 C CD2 . LEU A 1 80 ? 8.818 -2.035 7.387 1.00 95.86 80 A 1 ATOM 615 N N . THR A 1 81 ? 12.955 0.167 6.117 1.00 97.60 81 A 1 ATOM 616 C CA . THR A 1 81 ? 13.042 1.338 5.230 1.00 97.35 81 A 1 ATOM 617 C C . THR A 1 81 ? 12.005 1.266 4.111 1.00 97.35 81 A 1 ATOM 618 O O . THR A 1 81 ? 11.454 0.217 3.801 1.00 96.69 81 A 1 ATOM 619 C CB . THR A 1 81 ? 14.451 1.525 4.654 1.00 96.79 81 A 1 ATOM 620 O OG1 . THR A 1 81 ? 14.714 0.589 3.643 1.00 92.83 81 A 1 ATOM 621 C CG2 . THR A 1 81 ? 15.559 1.458 5.704 1.00 91.09 81 A 1 ATOM 622 N N . VAL A 1 82 ? 11.724 2.404 3.472 1.00 97.22 82 A 1 ATOM 623 C CA . VAL A 1 82 ? 10.764 2.463 2.354 1.00 97.04 82 A 1 ATOM 624 C C . VAL A 1 82 ? 11.199 1.570 1.191 1.00 96.66 82 A 1 ATOM 625 O O . VAL A 1 82 ? 10.349 0.975 0.535 1.00 95.38 82 A 1 ATOM 626 C CB . VAL A 1 82 ? 10.581 3.917 1.880 1.00 96.40 82 A 1 ATOM 627 C CG1 . VAL A 1 82 ? 9.662 4.028 0.657 1.00 92.68 82 A 1 ATOM 628 C CG2 . VAL A 1 82 ? 9.959 4.788 2.985 1.00 92.76 82 A 1 ATOM 629 N N . ASP A 1 83 ? 12.498 1.464 0.932 1.00 95.88 83 A 1 ATOM 630 C CA . ASP A 1 83 ? 13.040 0.735 -0.219 1.00 95.15 83 A 1 ATOM 631 C C . ASP A 1 83 ? 13.076 -0.791 0.010 1.00 95.29 83 A 1 ATOM 632 O O . ASP A 1 83 ? 13.165 -1.546 -0.954 1.00 93.94 83 A 1 ATOM 633 C CB . ASP A 1 83 ? 14.403 1.331 -0.596 1.00 93.74 83 A 1 ATOM 634 C CG . ASP A 1 83 ? 14.337 2.823 -1.007 1.00 89.32 83 A 1 ATOM 635 O OD1 . ASP A 1 83 ? 13.293 3.309 -1.534 1.00 84.75 83 A 1 ATOM 636 O OD2 . ASP A 1 83 ? 15.342 3.531 -0.780 1.00 83.98 83 A 1 ATOM 637 N N . ASP A 1 84 ? 12.893 -1.249 1.258 1.00 96.32 84 A 1 ATOM 638 C CA . ASP A 1 84 ? 12.734 -2.678 1.577 1.00 96.32 84 A 1 ATOM 639 C C . ASP A 1 84 ? 11.440 -3.268 0.999 1.00 96.15 84 A 1 ATOM 640 O O . ASP A 1 84 ? 11.294 -4.489 0.932 1.00 95.40 84 A 1 ATOM 641 C CB . ASP A 1 84 ? 12.782 -2.892 3.095 1.00 96.50 84 A 1 ATOM 642 C CG . ASP A 1 84 ? 14.142 -2.540 3.698 1.00 95.94 84 A 1 ATOM 643 O OD1 . ASP A 1 84 ? 15.176 -2.939 3.117 1.00 93.75 84 A 1 ATOM 644 O OD2 . ASP A 1 84 ? 14.152 -1.869 4.754 1.00 93.95 84 A 1 ATOM 645 N N . TYR A 1 85 ? 10.524 -2.421 0.510 1.00 95.15 85 A 1 ATOM 646 C CA . TYR A 1 85 ? 9.316 -2.807 -0.226 1.00 94.38 85 A 1 ATOM 647 C C . TYR A 1 85 ? 9.590 -3.853 -1.320 1.00 94.33 85 A 1 ATOM 648 O O . TYR A 1 85 ? 8.813 -4.789 -1.488 1.00 92.80 85 A 1 ATOM 649 C CB . TYR A 1 85 ? 8.707 -1.537 -0.839 1.00 92.49 85 A 1 ATOM 650 C CG . TYR A 1 85 ? 7.561 -1.798 -1.791 1.00 90.19 85 A 1 ATOM 651 C CD1 . TYR A 1 85 ? 7.809 -1.918 -3.172 1.00 84.39 85 A 1 ATOM 652 C CD2 . TYR A 1 85 ? 6.258 -1.985 -1.288 1.00 83.96 85 A 1 ATOM 653 C CE1 . TYR A 1 85 ? 6.764 -2.241 -4.050 1.00 79.26 85 A 1 ATOM 654 C CE2 . TYR A 1 85 ? 5.209 -2.309 -2.169 1.00 80.39 85 A 1 ATOM 655 C CZ . TYR A 1 85 ? 5.466 -2.446 -3.552 1.00 77.86 85 A 1 ATOM 656 O OH . TYR A 1 85 ? 4.470 -2.787 -4.406 1.00 77.65 85 A 1 ATOM 657 N N . ASP A 1 86 ? 10.711 -3.733 -2.038 1.00 94.05 86 A 1 ATOM 658 C CA . ASP A 1 86 ? 11.063 -4.638 -3.145 1.00 93.61 86 A 1 ATOM 659 C C . ASP A 1 86 ? 11.380 -6.075 -2.693 1.00 94.25 86 A 1 ATOM 660 O O . ASP A 1 86 ? 11.465 -6.986 -3.519 1.00 93.11 86 A 1 ATOM 661 C CB . ASP A 1 86 ? 12.268 -4.060 -3.907 1.00 91.66 86 A 1 ATOM 662 C CG . ASP A 1 86 ? 11.926 -2.800 -4.695 1.00 88.58 86 A 1 ATOM 663 O OD1 . ASP A 1 86 ? 10.779 -2.651 -5.173 1.00 85.73 86 A 1 ATOM 664 O OD2 . ASP A 1 86 ? 12.799 -1.920 -4.878 1.00 84.85 86 A 1 ATOM 665 N N . GLN A 1 87 ? 11.575 -6.287 -1.397 1.00 95.68 87 A 1 ATOM 666 C CA . GLN A 1 87 ? 11.874 -7.598 -0.815 1.00 95.80 87 A 1 ATOM 667 C C . GLN A 1 87 ? 10.617 -8.346 -0.352 1.00 95.90 87 A 1 ATOM 668 O O . GLN A 1 87 ? 10.715 -9.536 -0.015 1.00 94.95 87 A 1 ATOM 669 C CB . GLN A 1 87 ? 12.873 -7.439 0.338 1.00 95.66 87 A 1 ATOM 670 C CG . GLN A 1 87 ? 14.199 -6.812 -0.111 1.00 92.74 87 A 1 ATOM 671 C CD . GLN A 1 87 ? 15.170 -6.709 1.060 1.00 89.03 87 A 1 ATOM 672 O OE1 . GLN A 1 87 ? 15.554 -7.701 1.668 1.00 80.65 87 A 1 ATOM 673 N NE2 . GLN A 1 87 ? 15.590 -5.519 1.423 1.00 77.10 87 A 1 ATOM 674 N N . LEU A 1 88 ? 9.445 -7.684 -0.344 1.00 95.67 88 A 1 ATOM 675 C CA . LEU A 1 88 ? 8.176 -8.311 0.012 1.00 95.41 88 A 1 ATOM 676 C C . LEU A 1 88 ? 7.872 -9.478 -0.930 1.00 95.41 88 A 1 ATOM 677 O O . LEU A 1 88 ? 8.026 -9.387 -2.150 1.00 94.35 88 A 1 ATOM 678 C CB . LEU A 1 88 ? 7.029 -7.285 -0.024 1.00 94.70 88 A 1 ATOM 679 C CG . LEU A 1 88 ? 6.978 -6.343 1.188 1.00 91.37 88 A 1 ATOM 680 C CD1 . LEU A 1 88 ? 6.004 -5.200 0.908 1.00 89.10 88 A 1 ATOM 681 C CD2 . LEU A 1 88 ? 6.492 -7.077 2.442 1.00 89.28 88 A 1 ATOM 682 N N . SER A 1 89 ? 7.379 -10.582 -0.359 1.00 95.82 89 A 1 ATOM 683 C CA . SER A 1 89 ? 6.717 -11.606 -1.159 1.00 95.51 89 A 1 ATOM 684 C C . SER A 1 89 ? 5.388 -11.062 -1.697 1.00 95.65 89 A 1 ATOM 685 O O . SER A 1 89 ? 4.787 -10.166 -1.104 1.00 95.05 89 A 1 ATOM 686 C CB . SER A 1 89 ? 6.535 -12.895 -0.349 1.00 94.96 89 A 1 ATOM 687 O OG . SER A 1 89 ? 5.473 -12.791 0.567 1.00 91.92 89 A 1 ATOM 688 N N . LEU A 1 90 ? 4.901 -11.609 -2.820 1.00 94.88 90 A 1 ATOM 689 C CA . LEU A 1 90 ? 3.591 -11.215 -3.357 1.00 94.96 90 A 1 ATOM 690 C C . LEU A 1 90 ? 2.466 -11.470 -2.345 1.00 95.22 90 A 1 ATOM 691 O O . LEU A 1 90 ? 1.570 -10.649 -2.211 1.00 94.65 90 A 1 ATOM 692 C CB . LEU A 1 90 ? 3.341 -11.965 -4.678 1.00 94.04 90 A 1 ATOM 693 C CG . LEU A 1 90 ? 1.977 -11.641 -5.335 1.00 91.37 90 A 1 ATOM 694 C CD1 . LEU A 1 90 ? 1.841 -10.159 -5.698 1.00 87.87 90 A 1 ATOM 695 C CD2 . LEU A 1 90 ? 1.826 -12.462 -6.617 1.00 87.21 90 A 1 ATOM 696 N N . ASP A 1 91 ? 2.535 -12.575 -1.611 1.00 95.40 91 A 1 ATOM 697 C CA . ASP A 1 91 ? 1.554 -12.911 -0.582 1.00 95.67 91 A 1 ATOM 698 C C . ASP A 1 91 ? 1.545 -11.877 0.551 1.00 96.10 91 A 1 ATOM 699 O O . ASP A 1 91 ? 0.484 -11.405 0.937 1.00 95.32 91 A 1 ATOM 700 C CB . ASP A 1 91 ? 1.872 -14.291 -0.004 1.00 94.34 91 A 1 ATOM 701 C CG . ASP A 1 91 ? 1.565 -15.479 -0.923 1.00 82.54 91 A 1 ATOM 702 O OD1 . ASP A 1 91 ? 0.979 -15.300 -2.009 1.00 74.17 91 A 1 ATOM 703 O OD2 . ASP A 1 91 ? 1.875 -16.606 -0.462 1.00 74.26 91 A 1 ATOM 704 N N . ASP A 1 92 ? 2.726 -11.493 1.055 1.00 96.56 92 A 1 ATOM 705 C CA . ASP A 1 92 ? 2.835 -10.461 2.093 1.00 96.71 92 A 1 ATOM 706 C C . ASP A 1 92 ? 2.346 -9.100 1.583 1.00 96.86 92 A 1 ATOM 707 O O . ASP A 1 92 ? 1.670 -8.370 2.305 1.00 96.24 92 A 1 ATOM 708 C CB . ASP A 1 92 ? 4.287 -10.338 2.582 1.00 96.48 92 A 1 ATOM 709 C CG . ASP A 1 92 ? 4.815 -11.585 3.299 1.00 95.70 92 A 1 ATOM 710 O OD1 . ASP A 1 92 ? 4.083 -12.176 4.122 1.00 93.19 92 A 1 ATOM 711 O OD2 . ASP A 1 92 ? 5.975 -11.966 3.020 1.00 93.00 92 A 1 ATOM 712 N N . LEU A 1 93 ? 2.640 -8.774 0.314 1.00 95.97 93 A 1 ATOM 713 C CA . LEU A 1 93 ? 2.170 -7.548 -0.335 1.00 95.66 93 A 1 ATOM 714 C C . LEU A 1 93 ? 0.638 -7.478 -0.376 1.00 95.94 93 A 1 ATOM 715 O O . LEU A 1 93 ? 0.062 -6.437 -0.059 1.00 95.17 93 A 1 ATOM 716 C CB . LEU A 1 93 ? 2.760 -7.488 -1.756 1.00 94.57 93 A 1 ATOM 717 C CG . LEU A 1 93 ? 2.403 -6.197 -2.514 1.00 91.65 93 A 1 ATOM 718 C CD1 . LEU A 1 93 ? 3.177 -5.014 -1.946 1.00 86.47 93 A 1 ATOM 719 C CD2 . LEU A 1 93 ? 2.748 -6.344 -3.996 1.00 85.61 93 A 1 ATOM 720 N N . LEU A 1 94 ? -0.029 -8.576 -0.766 1.00 94.96 94 A 1 ATOM 721 C CA . LEU A 1 94 ? -1.493 -8.641 -0.844 1.00 94.50 94 A 1 ATOM 722 C C . LEU A 1 94 ? -2.148 -8.546 0.543 1.00 94.33 94 A 1 ATOM 723 O O . LEU A 1 94 ? -3.189 -7.905 0.678 1.00 93.55 94 A 1 ATOM 724 C CB . LEU A 1 94 ? -1.908 -9.933 -1.569 1.00 94.09 94 A 1 ATOM 725 C CG . LEU A 1 94 ? -1.553 -9.973 -3.070 1.00 92.61 94 A 1 ATOM 726 C CD1 . LEU A 1 94 ? -1.881 -11.356 -3.635 1.00 89.99 94 A 1 ATOM 727 C CD2 . LEU A 1 94 ? -2.312 -8.929 -3.889 1.00 89.93 94 A 1 ATOM 728 N N . GLU A 1 95 ? -1.520 -9.098 1.581 1.00 94.91 95 A 1 ATOM 729 C CA . GLU A 1 95 ? -2.023 -8.945 2.956 1.00 94.62 95 A 1 ATOM 730 C C . GLU A 1 95 ? -1.979 -7.483 3.432 1.00 94.80 95 A 1 ATOM 731 O O . GLU A 1 95 ? -2.864 -7.044 4.175 1.00 93.62 95 A 1 ATOM 732 C CB . GLU A 1 95 ? -1.228 -9.846 3.915 1.00 93.74 95 A 1 ATOM 733 C CG . GLU A 1 95 ? -1.504 -11.353 3.727 1.00 87.16 95 A 1 ATOM 734 C CD . GLU A 1 95 ? -2.943 -11.789 4.047 1.00 82.80 95 A 1 ATOM 735 O OE1 . GLU A 1 95 ? -3.326 -12.890 3.584 1.00 73.97 95 A 1 ATOM 736 O OE2 . GLU A 1 95 ? -3.650 -11.058 4.782 1.00 72.65 95 A 1 ATOM 737 N N . LEU A 1 96 ? -1.023 -6.671 2.960 1.00 95.46 96 A 1 ATOM 738 C CA . LEU A 1 96 ? -0.990 -5.235 3.288 1.00 95.58 96 A 1 ATOM 739 C C . LEU A 1 96 ? -2.247 -4.490 2.820 1.00 95.10 96 A 1 ATOM 740 O O . LEU A 1 96 ? -2.632 -3.497 3.442 1.00 93.81 96 A 1 ATOM 741 C CB . LEU A 1 96 ? 0.250 -4.550 2.684 1.00 95.60 96 A 1 ATOM 742 C CG . LEU A 1 96 ? 1.617 -5.064 3.157 1.00 94.28 96 A 1 ATOM 743 C CD1 . LEU A 1 96 ? 2.710 -4.207 2.523 1.00 90.84 96 A 1 ATOM 744 C CD2 . LEU A 1 96 ? 1.777 -4.988 4.676 1.00 90.41 96 A 1 ATOM 745 N N . GLU A 1 97 ? -2.915 -4.959 1.758 1.00 93.45 97 A 1 ATOM 746 C CA . GLU A 1 97 ? -4.172 -4.364 1.290 1.00 92.53 97 A 1 ATOM 747 C C . GLU A 1 97 ? -5.245 -4.409 2.381 1.00 92.32 97 A 1 ATOM 748 O O . GLU A 1 97 ? -5.954 -3.420 2.594 1.00 91.00 97 A 1 ATOM 749 C CB . GLU A 1 97 ? -4.674 -5.075 0.024 1.00 90.90 97 A 1 ATOM 750 C CG . GLU A 1 97 ? -5.829 -4.274 -0.603 1.00 84.84 97 A 1 ATOM 751 C CD . GLU A 1 97 ? -6.492 -4.936 -1.815 1.00 81.41 97 A 1 ATOM 752 O OE1 . GLU A 1 97 ? -7.485 -4.324 -2.288 1.00 72.86 97 A 1 ATOM 753 O OE2 . GLU A 1 97 ? -6.030 -5.994 -2.281 1.00 73.41 97 A 1 ATOM 754 N N . THR A 1 98 ? -5.329 -5.531 3.109 1.00 92.50 98 A 1 ATOM 755 C CA . THR A 1 98 ? -6.288 -5.721 4.204 1.00 92.15 98 A 1 ATOM 756 C C . THR A 1 98 ? -6.044 -4.712 5.324 1.00 92.28 98 A 1 ATOM 757 O O . THR A 1 98 ? -6.980 -4.049 5.771 1.00 91.19 98 A 1 ATOM 758 C CB . THR A 1 98 ? -6.223 -7.164 4.737 1.00 90.92 98 A 1 ATOM 759 O OG1 . THR A 1 98 ? -6.544 -8.043 3.683 1.00 86.69 98 A 1 ATOM 760 C CG2 . THR A 1 98 ? -7.233 -7.431 5.851 1.00 84.93 98 A 1 ATOM 761 N N . PHE A 1 99 ? -4.787 -4.512 5.730 1.00 91.80 99 A 1 ATOM 762 C CA . PHE A 1 99 ? -4.438 -3.508 6.745 1.00 91.90 99 A 1 ATOM 763 C C . PHE A 1 99 ? -4.759 -2.082 6.279 1.00 91.35 99 A 1 ATOM 764 O O . PHE A 1 99 ? -5.351 -1.301 7.031 1.00 88.79 99 A 1 ATOM 765 C CB . PHE A 1 99 ? -2.958 -3.643 7.126 1.00 91.99 99 A 1 ATOM 766 C CG . PHE A 1 99 ? -2.666 -4.871 7.964 1.00 92.24 99 A 1 ATOM 767 C CD1 . PHE A 1 99 ? -2.807 -4.822 9.365 1.00 89.06 99 A 1 ATOM 768 C CD2 . PHE A 1 99 ? -2.292 -6.076 7.346 1.00 89.71 99 A 1 ATOM 769 C CE1 . PHE A 1 99 ? -2.583 -5.972 10.138 1.00 88.06 99 A 1 ATOM 770 C CE2 . PHE A 1 99 ? -2.074 -7.228 8.120 1.00 88.61 99 A 1 ATOM 771 C CZ . PHE A 1 99 ? -2.221 -7.177 9.517 1.00 89.28 99 A 1 ATOM 772 N N . GLY A 1 100 ? -4.437 -1.757 5.026 1.00 91.16 100 A 1 ATOM 773 C CA . GLY A 1 100 ? -4.780 -0.460 4.439 1.00 90.02 100 A 1 ATOM 774 C C . GLY A 1 100 ? -6.293 -0.233 4.359 1.00 90.09 100 A 1 ATOM 775 O O . GLY A 1 100 ? -6.772 0.853 4.689 1.00 88.66 100 A 1 ATOM 776 N N . LEU A 1 101 ? -7.074 -1.254 3.981 1.00 88.89 101 A 1 ATOM 777 C CA . LEU A 1 101 ? -8.537 -1.188 3.940 1.00 87.80 101 A 1 ATOM 778 C C . LEU A 1 101 ? -9.119 -0.909 5.328 1.00 87.05 101 A 1 ATOM 779 O O . LEU A 1 101 ? -9.934 0.003 5.475 1.00 86.17 101 A 1 ATOM 780 C CB . LEU A 1 101 ? -9.086 -2.497 3.347 1.00 86.22 101 A 1 ATOM 781 C CG . LEU A 1 101 ? -10.623 -2.554 3.259 1.00 78.43 101 A 1 ATOM 782 C CD1 . LEU A 1 101 ? -11.185 -1.494 2.309 1.00 74.51 101 A 1 ATOM 783 C CD2 . LEU A 1 101 ? -11.057 -3.931 2.758 1.00 73.92 101 A 1 ATOM 784 N N . LEU A 1 102 ? -8.675 -1.648 6.348 1.00 83.47 102 A 1 ATOM 785 C CA . LEU A 1 102 ? -9.141 -1.478 7.727 1.00 82.88 102 A 1 ATOM 786 C C . LEU A 1 102 ? -8.835 -0.080 8.274 1.00 83.51 102 A 1 ATOM 787 O O . LEU A 1 102 ? -9.671 0.494 8.969 1.00 82.13 102 A 1 ATOM 788 C CB . LEU A 1 102 ? -8.513 -2.566 8.614 1.00 80.59 102 A 1 ATOM 789 C CG . LEU A 1 102 ? -9.040 -3.994 8.364 1.00 75.25 102 A 1 ATOM 790 C CD1 . LEU A 1 102 ? -8.196 -4.996 9.150 1.00 71.99 102 A 1 ATOM 791 C CD2 . LEU A 1 102 ? -10.501 -4.153 8.795 1.00 72.86 102 A 1 ATOM 792 N N . PHE A 1 103 ? -7.690 0.512 7.898 1.00 83.43 103 A 1 ATOM 793 C CA . PHE A 1 103 ? -7.375 1.900 8.243 1.00 82.12 103 A 1 ATOM 794 C C . PHE A 1 103 ? -8.410 2.890 7.683 1.00 81.63 103 A 1 ATOM 795 O O . PHE A 1 103 ? -8.868 3.786 8.392 1.00 80.40 103 A 1 ATOM 796 C CB . PHE A 1 103 ? -5.963 2.232 7.746 1.00 81.85 103 A 1 ATOM 797 C CG . PHE A 1 103 ? -5.617 3.704 7.825 1.00 80.10 103 A 1 ATOM 798 C CD1 . PHE A 1 103 ? -5.397 4.447 6.648 1.00 75.72 103 A 1 ATOM 799 C CD2 . PHE A 1 103 ? -5.548 4.346 9.075 1.00 76.60 103 A 1 ATOM 800 C CE1 . PHE A 1 103 ? -5.095 5.815 6.726 1.00 71.19 103 A 1 ATOM 801 C CE2 . PHE A 1 103 ? -5.253 5.716 9.151 1.00 71.56 103 A 1 ATOM 802 C CZ . PHE A 1 103 ? -5.023 6.452 7.976 1.00 69.81 103 A 1 ATOM 803 N N . PHE A 1 104 ? -8.829 2.726 6.417 1.00 83.51 104 A 1 ATOM 804 C CA . PHE A 1 104 ? -9.787 3.650 5.793 1.00 81.92 104 A 1 ATOM 805 C C . PHE A 1 104 ? -11.245 3.419 6.203 1.00 78.40 104 A 1 ATOM 806 O O . PHE A 1 104 ? -12.019 4.381 6.197 1.00 74.41 104 A 1 ATOM 807 C CB . PHE A 1 104 ? -9.644 3.590 4.269 1.00 81.84 104 A 1 ATOM 808 C CG . PHE A 1 104 ? -8.376 4.244 3.750 1.00 81.84 104 A 1 ATOM 809 C CD1 . PHE A 1 104 ? -8.171 5.624 3.928 1.00 78.43 104 A 1 ATOM 810 C CD2 . PHE A 1 104 ? -7.393 3.472 3.110 1.00 79.59 104 A 1 ATOM 811 C CE1 . PHE A 1 104 ? -6.983 6.225 3.490 1.00 76.95 104 A 1 ATOM 812 C CE2 . PHE A 1 104 ? -6.205 4.076 2.670 1.00 77.70 104 A 1 ATOM 813 C CZ . PHE A 1 104 ? -5.998 5.452 2.865 1.00 78.73 104 A 1 ATOM 814 N N . VAL A 1 105 ? -11.624 2.173 6.529 1.00 79.53 105 A 1 ATOM 815 C CA . VAL A 1 105 ? -12.977 1.809 6.986 1.00 77.27 105 A 1 ATOM 816 C C . VAL A 1 105 ? -13.164 2.115 8.473 1.00 73.42 105 A 1 ATOM 817 O O . VAL A 1 105 ? -14.206 2.635 8.854 1.00 68.23 105 A 1 ATOM 818 C CB . VAL A 1 105 ? -13.282 0.331 6.668 1.00 75.84 105 A 1 ATOM 819 C CG1 . VAL A 1 105 ? -14.643 -0.120 7.222 1.00 69.02 105 A 1 ATOM 820 C CG2 . VAL A 1 105 ? -13.323 0.095 5.149 1.00 70.82 105 A 1 ATOM 821 N N . GLY A 1 106 ? -12.148 1.863 9.307 1.00 72.30 106 A 1 ATOM 822 C CA . GLY A 1 106 ? -12.194 2.142 10.749 1.00 69.40 106 A 1 ATOM 823 C C . GLY A 1 106 ? -12.174 3.629 11.118 1.00 67.32 106 A 1 ATOM 824 O O . GLY A 1 106 ? -12.346 3.969 12.279 1.00 61.93 106 A 1 ATOM 825 N N . SER A 1 107 ? -11.985 4.521 10.138 1.00 61.21 107 A 1 ATOM 826 C CA . SER A 1 107 ? -12.026 5.988 10.315 1.00 59.99 107 A 1 ATOM 827 C C . SER A 1 107 ? -13.437 6.587 10.179 1.00 58.35 107 A 1 ATOM 828 O O . SER A 1 107 ? -13.566 7.794 9.950 1.00 54.48 107 A 1 ATOM 829 C CB . SER A 1 107 ? -11.067 6.679 9.330 1.00 56.00 107 A 1 ATOM 830 O OG . SER A 1 107 ? -9.741 6.214 9.426 1.00 50.58 107 A 1 ATOM 831 N N . LEU A 1 108 ? -14.505 5.757 10.225 1.00 51.25 108 A 1 ATOM 832 C CA . LEU A 1 108 ? -15.912 6.178 10.061 1.00 51.94 108 A 1 ATOM 833 C C . LEU A 1 108 ? -16.665 6.381 11.394 1.00 50.84 108 A 1 ATOM 834 O O . LEU A 1 108 ? -17.892 6.448 11.371 1.00 46.81 108 A 1 ATOM 835 C CB . LEU A 1 108 ? -16.649 5.214 9.104 1.00 48.85 108 A 1 ATOM 836 C CG . LEU A 1 108 ? -16.259 5.351 7.621 1.00 45.14 108 A 1 ATOM 837 C CD1 . LEU A 1 108 ? -16.868 4.202 6.813 1.00 42.81 108 A 1 ATOM 838 C CD2 . LEU A 1 108 ? -16.765 6.662 7.011 1.00 45.84 108 A 1 ATOM 839 N N . GLU A 1 109 ? -15.969 6.494 12.528 1.00 49.02 109 A 1 ATOM 840 C CA . GLU A 1 109 ? -16.545 6.916 13.823 1.00 50.59 109 A 1 ATOM 841 C C . GLU A 1 109 ? -16.192 8.371 14.150 1.00 47.15 109 A 1 ATOM 842 O O . GLU A 1 109 ? -15.012 8.762 13.972 1.00 43.46 109 A 1 ATOM 843 C CB . GLU A 1 109 ? -16.143 5.952 14.957 1.00 47.18 109 A 1 ATOM 844 C CG . GLU A 1 109 ? -16.806 4.562 14.829 1.00 40.80 109 A 1 ATOM 845 C CD . GLU A 1 109 ? -16.604 3.638 16.056 1.00 38.05 109 A 1 ATOM 846 O OE1 . GLU A 1 109 ? -17.415 2.692 16.201 1.00 35.21 109 A 1 ATOM 847 O OE2 . GLU A 1 109 ? -15.646 3.849 16.838 1.00 38.69 109 A 1 ATOM 848 O OXT . GLU A 1 109 ? -17.122 9.086 14.574 1.00 42.63 109 A 1 #