# 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_acriia34 # _entry.id acriia34 # 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" "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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "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 ASN 3 1 n ILE 4 1 n ALA 5 1 n ASN 6 1 n GLU 7 1 n ILE 8 1 n LYS 9 1 n THR 10 1 n ILE 11 1 n ARG 12 1 n TYR 13 1 n ALA 14 1 n PHE 15 1 n GLU 16 1 n ASP 17 1 n GLY 18 1 n ARG 19 1 n SER 20 1 n THR 21 1 n GLN 22 1 n LYS 23 1 n SER 24 1 n ILE 25 1 n MET 26 1 n ARG 27 1 n LYS 28 1 n ILE 29 1 n LYS 30 1 n ALA 31 1 n LEU 32 1 n THR 33 1 n ASP 34 1 n GLN 35 1 n PHE 36 1 n GLU 37 1 n THR 38 1 n MET 39 1 n ASP 40 1 n ASP 41 1 n LEU 42 1 n ILE 43 1 n ASP 44 1 n SER 45 1 n LEU 46 1 n ASN 47 1 n SER 48 1 n TYR 49 1 n ALA 50 1 n ASP 51 1 n THR 52 1 n HIS 53 1 n TYR 54 1 n THR 55 1 n TRP 56 1 n ALA 57 1 n ILE 58 1 n THR 59 1 n TYR 60 1 n PHE 61 1 n GLN 62 1 n LEU 63 1 n ALA 64 1 n ARG 65 1 n ILE 66 1 n ILE 67 1 n ILE 68 1 n SER 69 1 n PHE 70 1 n GLN 71 1 n ALA 72 1 n SER 73 1 n ASN 74 1 n ASN 75 1 n THR 76 1 n THR 77 1 n SER 78 1 n GLU 79 1 n LYS 80 1 n LYS 81 1 n ILE 82 1 n ASP 83 1 n LEU 84 1 n GLN 85 1 n SER 86 1 n GLY 87 1 n PRO 88 1 n ILE 89 1 n GLU 90 1 n VAL 91 1 n ASN 92 1 n GLY 93 1 n LYS 94 1 n LEU 95 1 n LYS 96 1 n ILE 97 1 n ARG 98 1 n VAL 99 1 n THR 100 1 n VAL 101 1 n ASP 102 1 n GLU 103 1 n PHE 104 1 n MET 105 1 n ALA 106 1 n ASP 107 1 n LEU 108 1 n ALA 109 1 n ASN 110 1 n TRP 111 1 n GLU 112 1 n HIS 113 1 n LEU 114 1 n GLU 115 1 n ASP 116 1 n ILE 117 1 n LYS 118 1 n LYS 119 1 n LEU 120 1 n ALA 121 1 n LYS 122 1 n GLU 123 1 n LEU 124 1 n ALA 125 # _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 00:59:22)" _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 88.31 _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 81.34 1 1 A LYS 2 2 86.40 1 2 A ASN 3 2 87.53 1 3 A ILE 4 2 93.20 1 4 A ALA 5 2 92.26 1 5 A ASN 6 2 86.63 1 6 A GLU 7 2 88.83 1 7 A ILE 8 2 91.73 1 8 A LYS 9 2 82.17 1 9 A THR 10 2 91.16 1 10 A ILE 11 2 93.17 1 11 A ARG 12 2 77.96 1 12 A TYR 13 2 79.09 1 13 A ALA 14 2 92.92 1 14 A PHE 15 2 88.87 1 15 A GLU 16 2 83.86 1 16 A ASP 17 2 84.37 1 17 A GLY 18 2 87.50 1 18 A ARG 19 2 81.22 1 19 A SER 20 2 92.16 1 20 A THR 21 2 92.62 1 21 A GLN 22 2 83.98 1 22 A LYS 23 2 88.21 1 23 A SER 24 2 91.75 1 24 A ILE 25 2 93.22 1 25 A MET 26 2 93.00 1 26 A ARG 27 2 86.45 1 27 A LYS 28 2 91.27 1 28 A ILE 29 2 95.27 1 29 A LYS 30 2 91.15 1 30 A ALA 31 2 95.78 1 31 A LEU 32 2 95.19 1 32 A THR 33 2 95.33 1 33 A ASP 34 2 93.85 1 34 A GLN 35 2 92.71 1 35 A PHE 36 2 95.57 1 36 A GLU 37 2 86.92 1 37 A THR 38 2 94.60 1 38 A MET 39 2 94.68 1 39 A ASP 40 2 93.34 1 40 A ASP 41 2 90.00 1 41 A LEU 42 2 95.36 1 42 A ILE 43 2 95.03 1 43 A ASP 44 2 94.25 1 44 A SER 45 2 94.92 1 45 A LEU 46 2 94.11 1 46 A ASN 47 2 92.82 1 47 A SER 48 2 91.02 1 48 A TYR 49 2 91.71 1 49 A ALA 50 2 89.36 1 50 A ASP 51 2 85.17 1 51 A THR 52 2 84.40 1 52 A HIS 53 2 77.08 1 53 A TYR 54 2 59.76 1 54 A THR 55 2 69.68 1 55 A TRP 56 2 61.08 1 56 A ALA 57 2 83.65 1 57 A ILE 58 2 87.46 1 58 A THR 59 2 88.77 1 59 A TYR 60 2 87.53 1 60 A PHE 61 2 86.00 1 61 A GLN 62 2 89.47 1 62 A LEU 63 2 92.47 1 63 A ALA 64 2 94.67 1 64 A ARG 65 2 89.56 1 65 A ILE 66 2 95.10 1 66 A ILE 67 2 94.10 1 67 A ILE 68 2 94.65 1 68 A SER 69 2 93.31 1 69 A PHE 70 2 93.17 1 70 A GLN 71 2 92.14 1 71 A ALA 72 2 92.73 1 72 A SER 73 2 90.29 1 73 A ASN 74 2 87.67 1 74 A ASN 75 2 82.61 1 75 A THR 76 2 88.74 1 76 A THR 77 2 86.12 1 77 A SER 78 2 90.44 1 78 A GLU 79 2 84.46 1 79 A LYS 80 2 91.74 1 80 A LYS 81 2 90.17 1 81 A ILE 82 2 90.42 1 82 A ASP 83 2 87.10 1 83 A LEU 84 2 89.95 1 84 A GLN 85 2 82.51 1 85 A SER 86 2 84.24 1 86 A GLY 87 2 88.37 1 87 A PRO 88 2 89.81 1 88 A ILE 89 2 90.37 1 89 A GLU 90 2 84.15 1 90 A VAL 91 2 88.92 1 91 A ASN 92 2 86.07 1 92 A GLY 93 2 91.47 1 93 A LYS 94 2 85.91 1 94 A LEU 95 2 89.66 1 95 A LYS 96 2 89.28 1 96 A ILE 97 2 85.45 1 97 A ARG 98 2 81.40 1 98 A VAL 99 2 92.79 1 99 A THR 100 2 94.13 1 100 A VAL 101 2 93.18 1 101 A ASP 102 2 90.12 1 102 A GLU 103 2 93.07 1 103 A PHE 104 2 92.86 1 104 A MET 105 2 91.19 1 105 A ALA 106 2 92.29 1 106 A ASP 107 2 89.93 1 107 A LEU 108 2 89.71 1 108 A ALA 109 2 90.62 1 109 A ASN 110 2 83.16 1 110 A TRP 111 2 87.98 1 111 A GLU 112 2 82.95 1 112 A HIS 113 2 87.29 1 113 A LEU 114 2 91.92 1 114 A GLU 115 2 86.63 1 115 A ASP 116 2 89.80 1 116 A ILE 117 2 91.57 1 117 A LYS 118 2 90.65 1 118 A LYS 119 2 86.11 1 119 A LEU 120 2 89.51 1 120 A ALA 121 2 92.09 1 121 A LYS 122 2 84.74 1 122 A GLU 123 2 87.77 1 123 A LEU 124 2 91.56 1 124 A ALA 125 2 87.50 1 125 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n LYS . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n GLU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n ARG . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n GLU . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n ARG . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n THR . 21 A 21 A 22 1 n GLN . 22 A 22 A 23 1 n LYS . 23 A 23 A 24 1 n SER . 24 A 24 A 25 1 n ILE . 25 A 25 A 26 1 n MET . 26 A 26 A 27 1 n ARG . 27 A 27 A 28 1 n LYS . 28 A 28 A 29 1 n ILE . 29 A 29 A 30 1 n LYS . 30 A 30 A 31 1 n ALA . 31 A 31 A 32 1 n LEU . 32 A 32 A 33 1 n THR . 33 A 33 A 34 1 n ASP . 34 A 34 A 35 1 n GLN . 35 A 35 A 36 1 n PHE . 36 A 36 A 37 1 n GLU . 37 A 37 A 38 1 n THR . 38 A 38 A 39 1 n MET . 39 A 39 A 40 1 n ASP . 40 A 40 A 41 1 n ASP . 41 A 41 A 42 1 n LEU . 42 A 42 A 43 1 n ILE . 43 A 43 A 44 1 n ASP . 44 A 44 A 45 1 n SER . 45 A 45 A 46 1 n LEU . 46 A 46 A 47 1 n ASN . 47 A 47 A 48 1 n SER . 48 A 48 A 49 1 n TYR . 49 A 49 A 50 1 n ALA . 50 A 50 A 51 1 n ASP . 51 A 51 A 52 1 n THR . 52 A 52 A 53 1 n HIS . 53 A 53 A 54 1 n TYR . 54 A 54 A 55 1 n THR . 55 A 55 A 56 1 n TRP . 56 A 56 A 57 1 n ALA . 57 A 57 A 58 1 n ILE . 58 A 58 A 59 1 n THR . 59 A 59 A 60 1 n TYR . 60 A 60 A 61 1 n PHE . 61 A 61 A 62 1 n GLN . 62 A 62 A 63 1 n LEU . 63 A 63 A 64 1 n ALA . 64 A 64 A 65 1 n ARG . 65 A 65 A 66 1 n ILE . 66 A 66 A 67 1 n ILE . 67 A 67 A 68 1 n ILE . 68 A 68 A 69 1 n SER . 69 A 69 A 70 1 n PHE . 70 A 70 A 71 1 n GLN . 71 A 71 A 72 1 n ALA . 72 A 72 A 73 1 n SER . 73 A 73 A 74 1 n ASN . 74 A 74 A 75 1 n ASN . 75 A 75 A 76 1 n THR . 76 A 76 A 77 1 n THR . 77 A 77 A 78 1 n SER . 78 A 78 A 79 1 n GLU . 79 A 79 A 80 1 n LYS . 80 A 80 A 81 1 n LYS . 81 A 81 A 82 1 n ILE . 82 A 82 A 83 1 n ASP . 83 A 83 A 84 1 n LEU . 84 A 84 A 85 1 n GLN . 85 A 85 A 86 1 n SER . 86 A 86 A 87 1 n GLY . 87 A 87 A 88 1 n PRO . 88 A 88 A 89 1 n ILE . 89 A 89 A 90 1 n GLU . 90 A 90 A 91 1 n VAL . 91 A 91 A 92 1 n ASN . 92 A 92 A 93 1 n GLY . 93 A 93 A 94 1 n LYS . 94 A 94 A 95 1 n LEU . 95 A 95 A 96 1 n LYS . 96 A 96 A 97 1 n ILE . 97 A 97 A 98 1 n ARG . 98 A 98 A 99 1 n VAL . 99 A 99 A 100 1 n THR . 100 A 100 A 101 1 n VAL . 101 A 101 A 102 1 n ASP . 102 A 102 A 103 1 n GLU . 103 A 103 A 104 1 n PHE . 104 A 104 A 105 1 n MET . 105 A 105 A 106 1 n ALA . 106 A 106 A 107 1 n ASP . 107 A 107 A 108 1 n LEU . 108 A 108 A 109 1 n ALA . 109 A 109 A 110 1 n ASN . 110 A 110 A 111 1 n TRP . 111 A 111 A 112 1 n GLU . 112 A 112 A 113 1 n HIS . 113 A 113 A 114 1 n LEU . 114 A 114 A 115 1 n GLU . 115 A 115 A 116 1 n ASP . 116 A 116 A 117 1 n ILE . 117 A 117 A 118 1 n LYS . 118 A 118 A 119 1 n LYS . 119 A 119 A 120 1 n LEU . 120 A 120 A 121 1 n ALA . 121 A 121 A 122 1 n LYS . 122 A 122 A 123 1 n GLU . 123 A 123 A 124 1 n LEU . 124 A 124 A 125 1 n ALA . 125 A 125 # _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 ? 14.475 -0.596 -9.586 1.00 80.62 1 A 1 ATOM 2 C CA . MET A 1 1 ? 14.126 0.290 -8.455 1.00 88.70 1 A 1 ATOM 3 C C . MET A 1 1 ? 13.995 1.715 -8.956 1.00 90.08 1 A 1 ATOM 4 O O . MET A 1 1 ? 14.921 2.203 -9.607 1.00 86.54 1 A 1 ATOM 5 C CB . MET A 1 1 ? 15.188 0.174 -7.350 1.00 83.64 1 A 1 ATOM 6 C CG . MET A 1 1 ? 14.784 0.915 -6.072 1.00 78.74 1 A 1 ATOM 7 S SD . MET A 1 1 ? 15.902 0.571 -4.690 1.00 75.64 1 A 1 ATOM 8 C CE . MET A 1 1 ? 17.396 1.457 -5.203 1.00 66.75 1 A 1 ATOM 9 N N . LYS A 1 2 ? 12.864 2.356 -8.715 1.00 90.33 2 A 1 ATOM 10 C CA . LYS A 1 2 ? 12.559 3.733 -9.132 1.00 91.67 2 A 1 ATOM 11 C C . LYS A 1 2 ? 12.586 4.668 -7.924 1.00 92.41 2 A 1 ATOM 12 O O . LYS A 1 2 ? 12.213 4.271 -6.822 1.00 91.75 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 11.205 3.786 -9.858 1.00 90.21 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 11.228 3.003 -11.179 1.00 86.84 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 9.911 3.120 -11.959 1.00 84.24 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 10.016 2.278 -13.233 1.00 79.42 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 8.824 2.394 -14.099 1.00 70.73 2 A 1 ATOM 18 N N . ASN A 1 3 ? 13.016 5.920 -8.129 1.00 91.09 3 A 1 ATOM 19 C CA . ASN A 1 3 ? 12.882 6.960 -7.113 1.00 91.43 3 A 1 ATOM 20 C C . ASN A 1 3 ? 11.441 7.486 -7.137 1.00 91.81 3 A 1 ATOM 21 O O . ASN A 1 3 ? 11.034 8.088 -8.126 1.00 90.99 3 A 1 ATOM 22 C CB . ASN A 1 3 ? 13.919 8.068 -7.362 1.00 89.05 3 A 1 ATOM 23 C CG . ASN A 1 3 ? 13.864 9.172 -6.317 1.00 86.13 3 A 1 ATOM 24 O OD1 . ASN A 1 3 ? 12.971 9.264 -5.493 1.00 80.71 3 A 1 ATOM 25 N ND2 . ASN A 1 3 ? 14.830 10.059 -6.311 1.00 79.06 3 A 1 ATOM 26 N N . ILE A 1 4 ? 10.699 7.262 -6.047 1.00 92.51 4 A 1 ATOM 27 C CA . ILE A 1 4 ? 9.272 7.609 -5.920 1.00 93.01 4 A 1 ATOM 28 C C . ILE A 1 4 ? 9.016 8.785 -4.969 1.00 93.42 4 A 1 ATOM 29 O O . ILE A 1 4 ? 7.878 9.054 -4.591 1.00 93.27 4 A 1 ATOM 30 C CB . ILE A 1 4 ? 8.451 6.362 -5.530 1.00 93.76 4 A 1 ATOM 31 C CG1 . ILE A 1 4 ? 8.899 5.772 -4.173 1.00 94.04 4 A 1 ATOM 32 C CG2 . ILE A 1 4 ? 8.539 5.314 -6.658 1.00 91.93 4 A 1 ATOM 33 C CD1 . ILE A 1 4 ? 7.959 4.683 -3.643 1.00 93.65 4 A 1 ATOM 34 N N . ALA A 1 5 ? 10.055 9.508 -4.552 1.00 93.41 5 A 1 ATOM 35 C CA . ALA A 1 5 ? 9.941 10.529 -3.514 1.00 92.32 5 A 1 ATOM 36 C C . ALA A 1 5 ? 8.963 11.663 -3.877 1.00 92.50 5 A 1 ATOM 37 O O . ALA A 1 5 ? 8.197 12.124 -3.028 1.00 92.30 5 A 1 ATOM 38 C CB . ALA A 1 5 ? 11.344 11.073 -3.222 1.00 90.79 5 A 1 ATOM 39 N N . ASN A 1 6 ? 8.946 12.085 -5.140 1.00 91.90 6 A 1 ATOM 40 C CA . ASN A 1 6 ? 8.057 13.150 -5.614 1.00 92.22 6 A 1 ATOM 41 C C . ASN A 1 6 ? 6.589 12.711 -5.646 1.00 93.15 6 A 1 ATOM 42 O O . ASN A 1 6 ? 5.698 13.476 -5.267 1.00 93.12 6 A 1 ATOM 43 C CB . ASN A 1 6 ? 8.524 13.609 -7.004 1.00 91.32 6 A 1 ATOM 44 C CG . ASN A 1 6 ? 9.793 14.438 -6.958 1.00 82.34 6 A 1 ATOM 45 O OD1 . ASN A 1 6 ? 10.103 15.116 -5.991 1.00 75.47 6 A 1 ATOM 46 N ND2 . ASN A 1 6 ? 10.552 14.446 -8.029 1.00 73.50 6 A 1 ATOM 47 N N . GLU A 1 7 ? 6.325 11.472 -6.061 1.00 92.58 7 A 1 ATOM 48 C CA . GLU A 1 7 ? 4.992 10.881 -6.093 1.00 93.16 7 A 1 ATOM 49 C C . GLU A 1 7 ? 4.443 10.715 -4.678 1.00 94.15 7 A 1 ATOM 50 O O . GLU A 1 7 ? 3.339 11.182 -4.394 1.00 94.17 7 A 1 ATOM 51 C CB . GLU A 1 7 ? 5.014 9.529 -6.821 1.00 93.42 7 A 1 ATOM 52 C CG . GLU A 1 7 ? 5.298 9.628 -8.327 1.00 89.06 7 A 1 ATOM 53 C CD . GLU A 1 7 ? 6.775 9.775 -8.727 1.00 86.52 7 A 1 ATOM 54 O OE1 . GLU A 1 7 ? 7.019 9.754 -9.950 1.00 77.16 7 A 1 ATOM 55 O OE2 . GLU A 1 7 ? 7.651 9.924 -7.840 1.00 79.25 7 A 1 ATOM 56 N N . ILE A 1 8 ? 5.236 10.152 -3.755 1.00 92.96 8 A 1 ATOM 57 C CA . ILE A 1 8 ? 4.846 10.005 -2.347 1.00 92.54 8 A 1 ATOM 58 C C . ILE A 1 8 ? 4.566 11.372 -1.715 1.00 92.05 8 A 1 ATOM 59 O O . ILE A 1 8 ? 3.529 11.554 -1.069 1.00 91.72 8 A 1 ATOM 60 C CB . ILE A 1 8 ? 5.905 9.207 -1.553 1.00 92.72 8 A 1 ATOM 61 C CG1 . ILE A 1 8 ? 6.039 7.745 -2.047 1.00 91.85 8 A 1 ATOM 62 C CG2 . ILE A 1 8 ? 5.589 9.221 -0.044 1.00 92.02 8 A 1 ATOM 63 C CD1 . ILE A 1 8 ? 4.780 6.878 -1.949 1.00 88.02 8 A 1 ATOM 64 N N . LYS A 1 9 ? 5.420 12.369 -1.956 1.00 92.92 9 A 1 ATOM 65 C CA . LYS A 1 9 ? 5.193 13.744 -1.488 1.00 91.99 9 A 1 ATOM 66 C C . LYS A 1 9 ? 3.870 14.313 -2.008 1.00 92.58 9 A 1 ATOM 67 O O . LYS A 1 9 ? 3.101 14.909 -1.252 1.00 92.31 9 A 1 ATOM 68 C CB . LYS A 1 9 ? 6.400 14.599 -1.913 1.00 90.49 9 A 1 ATOM 69 C CG . LYS A 1 9 ? 6.320 16.038 -1.388 1.00 78.12 9 A 1 ATOM 70 C CD . LYS A 1 9 ? 7.575 16.816 -1.804 1.00 75.39 9 A 1 ATOM 71 C CE . LYS A 1 9 ? 7.514 18.247 -1.267 1.00 66.22 9 A 1 ATOM 72 N NZ . LYS A 1 9 ? 8.697 19.047 -1.678 1.00 59.51 9 A 1 ATOM 73 N N . THR A 1 10 ? 3.578 14.105 -3.288 1.00 93.02 10 A 1 ATOM 74 C CA . THR A 1 10 ? 2.338 14.576 -3.930 1.00 93.20 10 A 1 ATOM 75 C C . THR A 1 10 ? 1.095 13.881 -3.367 1.00 93.87 10 A 1 ATOM 76 O O . THR A 1 10 ? 0.069 14.530 -3.144 1.00 93.19 10 A 1 ATOM 77 C CB . THR A 1 10 ? 2.414 14.361 -5.448 1.00 92.63 10 A 1 ATOM 78 O OG1 . THR A 1 10 ? 3.513 15.071 -5.965 1.00 87.18 10 A 1 ATOM 79 C CG2 . THR A 1 10 ? 1.182 14.897 -6.180 1.00 85.01 10 A 1 ATOM 80 N N . ILE A 1 11 ? 1.178 12.570 -3.112 1.00 93.13 11 A 1 ATOM 81 C CA . ILE A 1 11 ? 0.122 11.792 -2.457 1.00 93.29 11 A 1 ATOM 82 C C . ILE A 1 11 ? -0.111 12.322 -1.041 1.00 92.73 11 A 1 ATOM 83 O O . ILE A 1 11 ? -1.252 12.615 -0.696 1.00 92.16 11 A 1 ATOM 84 C CB . ILE A 1 11 ? 0.472 10.286 -2.479 1.00 94.20 11 A 1 ATOM 85 C CG1 . ILE A 1 11 ? 0.369 9.741 -3.927 1.00 93.89 11 A 1 ATOM 86 C CG2 . ILE A 1 11 ? -0.450 9.474 -1.548 1.00 93.49 11 A 1 ATOM 87 C CD1 . ILE A 1 11 ? 1.084 8.401 -4.127 1.00 92.44 11 A 1 ATOM 88 N N . ARG A 1 12 ? 0.945 12.511 -0.251 1.00 93.07 12 A 1 ATOM 89 C CA . ARG A 1 12 ? 0.835 13.048 1.117 1.00 91.39 12 A 1 ATOM 90 C C . ARG A 1 12 ? 0.132 14.401 1.165 1.00 91.67 12 A 1 ATOM 91 O O . ARG A 1 12 ? -0.830 14.539 1.913 1.00 91.08 12 A 1 ATOM 92 C CB . ARG A 1 12 ? 2.218 13.160 1.749 1.00 89.66 12 A 1 ATOM 93 C CG . ARG A 1 12 ? 2.745 11.806 2.218 1.00 80.07 12 A 1 ATOM 94 C CD . ARG A 1 12 ? 4.030 11.988 3.018 1.00 76.53 12 A 1 ATOM 95 N NE . ARG A 1 12 ? 3.773 12.861 4.179 1.00 69.49 12 A 1 ATOM 96 C CZ . ARG A 1 12 ? 4.265 12.763 5.390 1.00 63.02 12 A 1 ATOM 97 N NH1 . ARG A 1 12 ? 5.140 11.851 5.716 1.00 57.87 12 A 1 ATOM 98 N NH2 . ARG A 1 12 ? 3.863 13.600 6.300 1.00 53.67 12 A 1 ATOM 99 N N . TYR A 1 13 ? 0.538 15.361 0.334 1.00 91.21 13 A 1 ATOM 100 C CA . TYR A 1 13 ? -0.144 16.656 0.273 1.00 91.44 13 A 1 ATOM 101 C C . TYR A 1 13 ? -1.631 16.527 -0.062 1.00 92.44 13 A 1 ATOM 102 O O . TYR A 1 13 ? -2.443 17.258 0.498 1.00 91.86 13 A 1 ATOM 103 C CB . TYR A 1 13 ? 0.540 17.565 -0.753 1.00 90.55 13 A 1 ATOM 104 C CG . TYR A 1 13 ? 1.865 18.148 -0.313 1.00 82.11 13 A 1 ATOM 105 C CD1 . TYR A 1 13 ? 1.994 18.739 0.964 1.00 75.35 13 A 1 ATOM 106 C CD2 . TYR A 1 13 ? 2.958 18.155 -1.195 1.00 73.39 13 A 1 ATOM 107 C CE1 . TYR A 1 13 ? 3.209 19.325 1.359 1.00 66.26 13 A 1 ATOM 108 C CE2 . TYR A 1 13 ? 4.178 18.745 -0.807 1.00 66.24 13 A 1 ATOM 109 C CZ . TYR A 1 13 ? 4.301 19.330 0.472 1.00 64.06 13 A 1 ATOM 110 O OH . TYR A 1 13 ? 5.476 19.903 0.852 1.00 64.13 13 A 1 ATOM 111 N N . ALA A 1 14 ? -2.008 15.584 -0.913 1.00 92.82 14 A 1 ATOM 112 C CA . ALA A 1 14 ? -3.415 15.347 -1.220 1.00 92.98 14 A 1 ATOM 113 C C . ALA A 1 14 ? -4.203 14.770 -0.026 1.00 93.08 14 A 1 ATOM 114 O O . ALA A 1 14 ? -5.398 15.021 0.082 1.00 92.27 14 A 1 ATOM 115 C CB . ALA A 1 14 ? -3.497 14.446 -2.454 1.00 93.45 14 A 1 ATOM 116 N N . PHE A 1 15 ? -3.552 14.012 0.866 1.00 92.74 15 A 1 ATOM 117 C CA . PHE A 1 15 ? -4.168 13.575 2.125 1.00 91.54 15 A 1 ATOM 118 C C . PHE A 1 15 ? -4.281 14.715 3.146 1.00 90.52 15 A 1 ATOM 119 O O . PHE A 1 15 ? -5.249 14.762 3.901 1.00 87.92 15 A 1 ATOM 120 C CB . PHE A 1 15 ? -3.368 12.412 2.724 1.00 91.15 15 A 1 ATOM 121 C CG . PHE A 1 15 ? -3.743 11.044 2.186 1.00 90.37 15 A 1 ATOM 122 C CD1 . PHE A 1 15 ? -4.838 10.357 2.744 1.00 86.87 15 A 1 ATOM 123 C CD2 . PHE A 1 15 ? -2.995 10.447 1.161 1.00 87.54 15 A 1 ATOM 124 C CE1 . PHE A 1 15 ? -5.181 9.079 2.270 1.00 85.66 15 A 1 ATOM 125 C CE2 . PHE A 1 15 ? -3.339 9.169 0.686 1.00 86.09 15 A 1 ATOM 126 C CZ . PHE A 1 15 ? -4.430 8.483 1.241 1.00 87.19 15 A 1 ATOM 127 N N . GLU A 1 16 ? -3.303 15.621 3.182 1.00 90.84 16 A 1 ATOM 128 C CA . GLU A 1 16 ? -3.191 16.682 4.190 1.00 90.24 16 A 1 ATOM 129 C C . GLU A 1 16 ? -3.975 17.957 3.813 1.00 90.36 16 A 1 ATOM 130 O O . GLU A 1 16 ? -4.323 18.746 4.688 1.00 88.32 16 A 1 ATOM 131 C CB . GLU A 1 16 ? -1.695 16.988 4.414 1.00 88.29 16 A 1 ATOM 132 C CG . GLU A 1 16 ? -0.924 15.833 5.099 1.00 82.85 16 A 1 ATOM 133 C CD . GLU A 1 16 ? 0.617 15.992 5.089 1.00 79.18 16 A 1 ATOM 134 O OE1 . GLU A 1 16 ? 1.325 15.003 5.431 1.00 72.36 16 A 1 ATOM 135 O OE2 . GLU A 1 16 ? 1.113 17.080 4.713 1.00 72.29 16 A 1 ATOM 136 N N . ASP A 1 17 ? -4.279 18.178 2.535 1.00 90.11 17 A 1 ATOM 137 C CA . ASP A 1 17 ? -4.871 19.434 2.044 1.00 89.25 17 A 1 ATOM 138 C C . ASP A 1 17 ? -6.341 19.657 2.452 1.00 88.45 17 A 1 ATOM 139 O O . ASP A 1 17 ? -6.853 20.780 2.342 1.00 83.37 17 A 1 ATOM 140 C CB . ASP A 1 17 ? -4.649 19.577 0.520 1.00 87.25 17 A 1 ATOM 141 C CG . ASP A 1 17 ? -5.531 18.715 -0.401 1.00 83.04 17 A 1 ATOM 142 O OD1 . ASP A 1 17 ? -6.517 18.110 0.052 1.00 76.35 17 A 1 ATOM 143 O OD2 . ASP A 1 17 ? -5.274 18.698 -1.631 1.00 77.10 17 A 1 ATOM 144 N N . GLY A 1 18 ? -7.041 18.600 2.903 1.00 87.92 18 A 1 ATOM 145 C CA . GLY A 1 18 ? -8.453 18.647 3.300 1.00 86.92 18 A 1 ATOM 146 C C . GLY A 1 18 ? -9.447 18.932 2.161 1.00 89.00 18 A 1 ATOM 147 O O . GLY A 1 18 ? -10.639 19.090 2.422 1.00 86.14 18 A 1 ATOM 148 N N . ARG A 1 19 ? -8.980 19.033 0.916 1.00 92.05 19 A 1 ATOM 149 C CA . ARG A 1 19 ? -9.787 19.378 -0.271 1.00 92.61 19 A 1 ATOM 150 C C . ARG A 1 19 ? -9.847 18.247 -1.296 1.00 93.49 19 A 1 ATOM 151 O O . ARG A 1 19 ? -10.820 18.137 -2.043 1.00 91.55 19 A 1 ATOM 152 C CB . ARG A 1 19 ? -9.206 20.637 -0.937 1.00 91.67 19 A 1 ATOM 153 C CG . ARG A 1 19 ? -9.259 21.869 -0.027 1.00 86.77 19 A 1 ATOM 154 C CD . ARG A 1 19 ? -8.597 23.056 -0.731 1.00 81.64 19 A 1 ATOM 155 N NE . ARG A 1 19 ? -8.591 24.252 0.126 1.00 73.97 19 A 1 ATOM 156 C CZ . ARG A 1 19 ? -8.115 25.441 -0.196 1.00 68.09 19 A 1 ATOM 157 N NH1 . ARG A 1 19 ? -7.584 25.670 -1.366 1.00 62.18 19 A 1 ATOM 158 N NH2 . ARG A 1 19 ? -8.161 26.425 0.659 1.00 59.41 19 A 1 ATOM 159 N N . SER A 1 20 ? -8.806 17.435 -1.341 1.00 93.11 20 A 1 ATOM 160 C CA . SER A 1 20 ? -8.710 16.321 -2.270 1.00 93.36 20 A 1 ATOM 161 C C . SER A 1 20 ? -9.756 15.249 -1.948 1.00 93.45 20 A 1 ATOM 162 O O . SER A 1 20 ? -9.819 14.711 -0.848 1.00 92.35 20 A 1 ATOM 163 C CB . SER A 1 20 ? -7.299 15.735 -2.251 1.00 93.12 20 A 1 ATOM 164 O OG . SER A 1 20 ? -6.408 16.610 -2.917 1.00 87.56 20 A 1 ATOM 165 N N . THR A 1 21 ? -10.568 14.898 -2.937 1.00 93.49 21 A 1 ATOM 166 C CA . THR A 1 21 ? -11.506 13.773 -2.813 1.00 93.63 21 A 1 ATOM 167 C C . THR A 1 21 ? -10.749 12.446 -2.774 1.00 93.99 21 A 1 ATOM 168 O O . THR A 1 21 ? -9.680 12.310 -3.380 1.00 93.58 21 A 1 ATOM 169 C CB . THR A 1 21 ? -12.546 13.744 -3.944 1.00 93.31 21 A 1 ATOM 170 O OG1 . THR A 1 21 ? -11.943 13.482 -5.189 1.00 90.81 21 A 1 ATOM 171 C CG2 . THR A 1 21 ? -13.318 15.055 -4.074 1.00 89.56 21 A 1 ATOM 172 N N . GLN A 1 22 ? -11.346 11.414 -2.168 1.00 93.52 22 A 1 ATOM 173 C CA . GLN A 1 22 ? -10.787 10.058 -2.175 1.00 93.23 22 A 1 ATOM 174 C C . GLN A 1 22 ? -10.479 9.572 -3.602 1.00 94.54 22 A 1 ATOM 175 O O . GLN A 1 22 ? -9.425 8.991 -3.847 1.00 94.44 22 A 1 ATOM 176 C CB . GLN A 1 22 ? -11.769 9.128 -1.456 1.00 91.29 22 A 1 ATOM 177 C CG . GLN A 1 22 ? -11.251 7.688 -1.327 1.00 80.89 22 A 1 ATOM 178 C CD . GLN A 1 22 ? -12.097 6.882 -0.349 1.00 75.67 22 A 1 ATOM 179 O OE1 . GLN A 1 22 ? -12.415 7.352 0.723 1.00 68.24 22 A 1 ATOM 180 N NE2 . GLN A 1 22 ? -12.479 5.670 -0.651 1.00 64.02 22 A 1 ATOM 181 N N . LYS A 1 23 ? -11.337 9.889 -4.571 1.00 92.57 23 A 1 ATOM 182 C CA . LYS A 1 23 ? -11.117 9.566 -5.991 1.00 93.52 23 A 1 ATOM 183 C C . LYS A 1 23 ? -9.890 10.279 -6.576 1.00 94.54 23 A 1 ATOM 184 O O . LYS A 1 23 ? -9.146 9.682 -7.347 1.00 94.63 23 A 1 ATOM 185 C CB . LYS A 1 23 ? -12.400 9.858 -6.787 1.00 93.35 23 A 1 ATOM 186 C CG . LYS A 1 23 ? -12.343 9.298 -8.221 1.00 88.66 23 A 1 ATOM 187 C CD . LYS A 1 23 ? -13.729 9.274 -8.882 1.00 86.27 23 A 1 ATOM 188 C CE . LYS A 1 23 ? -13.684 8.502 -10.211 1.00 79.36 23 A 1 ATOM 189 N NZ . LYS A 1 23 ? -15.034 8.057 -10.667 1.00 71.02 23 A 1 ATOM 190 N N . SER A 1 24 ? -9.668 11.545 -6.215 1.00 94.11 24 A 1 ATOM 191 C CA . SER A 1 24 ? -8.479 12.301 -6.638 1.00 94.29 24 A 1 ATOM 192 C C . SER A 1 24 ? -7.194 11.711 -6.049 1.00 95.30 24 A 1 ATOM 193 O O . SER A 1 24 ? -6.217 11.529 -6.775 1.00 94.94 24 A 1 ATOM 194 C CB . SER A 1 24 ? -8.623 13.769 -6.230 1.00 93.23 24 A 1 ATOM 195 O OG . SER A 1 24 ? -7.525 14.526 -6.697 1.00 78.65 24 A 1 ATOM 196 N N . ILE A 1 25 ? -7.221 11.353 -4.765 1.00 93.76 25 A 1 ATOM 197 C CA . ILE A 1 25 ? -6.101 10.693 -4.081 1.00 94.01 25 A 1 ATOM 198 C C . ILE A 1 25 ? -5.785 9.351 -4.751 1.00 95.00 25 A 1 ATOM 199 O O . ILE A 1 25 ? -4.640 9.108 -5.129 1.00 95.54 25 A 1 ATOM 200 C CB . ILE A 1 25 ? -6.423 10.533 -2.579 1.00 93.80 25 A 1 ATOM 201 C CG1 . ILE A 1 25 ? -6.497 11.918 -1.896 1.00 92.44 25 A 1 ATOM 202 C CG2 . ILE A 1 25 ? -5.370 9.649 -1.894 1.00 92.24 25 A 1 ATOM 203 C CD1 . ILE A 1 25 ? -7.101 11.889 -0.492 1.00 88.93 25 A 1 ATOM 204 N N . MET A 1 26 ? -6.802 8.516 -4.980 1.00 93.80 26 A 1 ATOM 205 C CA . MET A 1 26 ? -6.617 7.215 -5.627 1.00 94.53 26 A 1 ATOM 206 C C . MET A 1 26 ? -6.087 7.335 -7.064 1.00 95.01 26 A 1 ATOM 207 O O . MET A 1 26 ? -5.274 6.513 -7.461 1.00 96.07 26 A 1 ATOM 208 C CB . MET A 1 26 ? -7.920 6.409 -5.593 1.00 95.13 26 A 1 ATOM 209 C CG . MET A 1 26 ? -8.258 5.895 -4.191 1.00 92.63 26 A 1 ATOM 210 S SD . MET A 1 26 ? -7.025 4.812 -3.412 1.00 91.94 26 A 1 ATOM 211 C CE . MET A 1 26 ? -7.080 3.381 -4.530 1.00 84.88 26 A 1 ATOM 212 N N . ARG A 1 27 ? -6.446 8.371 -7.819 1.00 95.30 27 A 1 ATOM 213 C CA . ARG A 1 27 ? -5.840 8.632 -9.145 1.00 95.63 27 A 1 ATOM 214 C C . ARG A 1 27 ? -4.343 8.935 -9.065 1.00 96.11 27 A 1 ATOM 215 O O . ARG A 1 27 ? -3.592 8.471 -9.911 1.00 96.17 27 A 1 ATOM 216 C CB . ARG A 1 27 ? -6.556 9.796 -9.845 1.00 96.06 27 A 1 ATOM 217 C CG . ARG A 1 27 ? -7.894 9.367 -10.450 1.00 91.92 27 A 1 ATOM 218 C CD . ARG A 1 27 ? -8.600 10.609 -10.986 1.00 89.93 27 A 1 ATOM 219 N NE . ARG A 1 27 ? -9.851 10.270 -11.693 1.00 81.30 27 A 1 ATOM 220 C CZ . ARG A 1 27 ? -10.862 11.083 -11.912 1.00 74.69 27 A 1 ATOM 221 N NH1 . ARG A 1 27 ? -10.905 12.294 -11.424 1.00 67.26 27 A 1 ATOM 222 N NH2 . ARG A 1 27 ? -11.866 10.692 -12.645 1.00 66.63 27 A 1 ATOM 223 N N . LYS A 1 28 ? -3.904 9.690 -8.055 1.00 94.82 28 A 1 ATOM 224 C CA . LYS A 1 28 ? -2.469 9.946 -7.834 1.00 94.95 28 A 1 ATOM 225 C C . LYS A 1 28 ? -1.732 8.664 -7.457 1.00 95.81 28 A 1 ATOM 226 O O . LYS A 1 28 ? -0.640 8.419 -7.954 1.00 96.17 28 A 1 ATOM 227 C CB . LYS A 1 28 ? -2.275 11.004 -6.738 1.00 95.03 28 A 1 ATOM 228 C CG . LYS A 1 28 ? -2.768 12.394 -7.143 1.00 92.78 28 A 1 ATOM 229 C CD . LYS A 1 28 ? -2.682 13.345 -5.946 1.00 90.29 28 A 1 ATOM 230 C CE . LYS A 1 28 ? -3.193 14.749 -6.275 1.00 85.42 28 A 1 ATOM 231 N NZ . LYS A 1 28 ? -2.280 15.483 -7.181 1.00 76.19 28 A 1 ATOM 232 N N . ILE A 1 29 ? -2.353 7.831 -6.622 1.00 95.36 29 A 1 ATOM 233 C CA . ILE A 1 29 ? -1.818 6.516 -6.254 1.00 95.55 29 A 1 ATOM 234 C C . ILE A 1 29 ? -1.743 5.602 -7.478 1.00 95.42 29 A 1 ATOM 235 O O . ILE A 1 29 ? -0.706 4.992 -7.702 1.00 95.77 29 A 1 ATOM 236 C CB . ILE A 1 29 ? -2.649 5.913 -5.106 1.00 96.06 29 A 1 ATOM 237 C CG1 . ILE A 1 29 ? -2.418 6.744 -3.822 1.00 95.40 29 A 1 ATOM 238 C CG2 . ILE A 1 29 ? -2.279 4.441 -4.879 1.00 95.50 29 A 1 ATOM 239 C CD1 . ILE A 1 29 ? -3.362 6.399 -2.675 1.00 93.12 29 A 1 ATOM 240 N N . LYS A 1 30 ? -2.784 5.556 -8.308 1.00 95.85 30 A 1 ATOM 241 C CA . LYS A 1 30 ? -2.788 4.799 -9.571 1.00 95.16 30 A 1 ATOM 242 C C . LYS A 1 30 ? -1.645 5.243 -10.490 1.00 95.25 30 A 1 ATOM 243 O O . LYS A 1 30 ? -0.898 4.400 -10.977 1.00 96.08 30 A 1 ATOM 244 C CB . LYS A 1 30 ? -4.156 4.934 -10.250 1.00 95.43 30 A 1 ATOM 245 C CG . LYS A 1 30 ? -4.305 4.139 -11.561 1.00 92.67 30 A 1 ATOM 246 C CD . LYS A 1 30 ? -4.102 2.631 -11.369 1.00 88.56 30 A 1 ATOM 247 C CE . LYS A 1 30 ? -4.698 1.814 -12.527 1.00 84.95 30 A 1 ATOM 248 N NZ . LYS A 1 30 ? -3.928 1.934 -13.777 1.00 76.36 30 A 1 ATOM 249 N N . ALA A 1 31 ? -1.442 6.552 -10.649 1.00 96.14 31 A 1 ATOM 250 C CA . ALA A 1 31 ? -0.329 7.078 -11.447 1.00 95.70 31 A 1 ATOM 251 C C . ALA A 1 31 ? 1.056 6.672 -10.902 1.00 95.84 31 A 1 ATOM 252 O O . ALA A 1 31 ? 1.990 6.507 -11.684 1.00 95.40 31 A 1 ATOM 253 C CB . ALA A 1 31 ? -0.469 8.602 -11.525 1.00 95.83 31 A 1 ATOM 254 N N . LEU A 1 32 ? 1.192 6.509 -9.578 1.00 96.04 32 A 1 ATOM 255 C CA . LEU A 1 32 ? 2.394 5.922 -8.977 1.00 95.97 32 A 1 ATOM 256 C C . LEU A 1 32 ? 2.494 4.430 -9.312 1.00 96.04 32 A 1 ATOM 257 O O . LEU A 1 32 ? 3.539 3.992 -9.777 1.00 96.08 32 A 1 ATOM 258 C CB . LEU A 1 32 ? 2.391 6.179 -7.453 1.00 96.34 32 A 1 ATOM 259 C CG . LEU A 1 32 ? 3.411 5.345 -6.655 1.00 95.62 32 A 1 ATOM 260 C CD1 . LEU A 1 32 ? 4.847 5.719 -6.998 1.00 92.50 32 A 1 ATOM 261 C CD2 . LEU A 1 32 ? 3.208 5.555 -5.156 1.00 92.95 32 A 1 ATOM 262 N N . THR A 1 33 ? 1.435 3.644 -9.083 1.00 96.14 33 A 1 ATOM 263 C CA . THR A 1 33 ? 1.478 2.185 -9.259 1.00 95.93 33 A 1 ATOM 264 C C . THR A 1 33 ? 1.652 1.763 -10.717 1.00 95.68 33 A 1 ATOM 265 O O . THR A 1 33 ? 2.329 0.775 -10.969 1.00 95.65 33 A 1 ATOM 266 C CB . THR A 1 33 ? 0.259 1.485 -8.643 1.00 96.01 33 A 1 ATOM 267 O OG1 . THR A 1 33 ? -0.961 1.992 -9.119 1.00 94.07 33 A 1 ATOM 268 C CG2 . THR A 1 33 ? 0.249 1.651 -7.120 1.00 93.80 33 A 1 ATOM 269 N N . ASP A 1 34 ? 1.160 2.552 -11.679 1.00 95.65 34 A 1 ATOM 270 C CA . ASP A 1 34 ? 1.324 2.319 -13.123 1.00 95.18 34 A 1 ATOM 271 C C . ASP A 1 34 ? 2.775 2.400 -13.607 1.00 95.16 34 A 1 ATOM 272 O O . ASP A 1 34 ? 3.086 2.014 -14.733 1.00 94.64 34 A 1 ATOM 273 C CB . ASP A 1 34 ? 0.477 3.336 -13.911 1.00 94.99 34 A 1 ATOM 274 C CG . ASP A 1 34 ? -1.010 3.025 -13.860 1.00 93.63 34 A 1 ATOM 275 O OD1 . ASP A 1 34 ? -1.372 1.909 -13.443 1.00 90.79 34 A 1 ATOM 276 O OD2 . ASP A 1 34 ? -1.838 3.881 -14.252 1.00 90.79 34 A 1 ATOM 277 N N . GLN A 1 35 ? 3.670 2.900 -12.767 1.00 96.23 35 A 1 ATOM 278 C CA . GLN A 1 35 ? 5.093 2.908 -13.080 1.00 95.89 35 A 1 ATOM 279 C C . GLN A 1 35 ? 5.748 1.531 -12.908 1.00 96.21 35 A 1 ATOM 280 O O . GLN A 1 35 ? 6.886 1.365 -13.346 1.00 95.45 35 A 1 ATOM 281 C CB . GLN A 1 35 ? 5.809 3.962 -12.220 1.00 95.80 35 A 1 ATOM 282 C CG . GLN A 1 35 ? 5.246 5.377 -12.420 1.00 94.45 35 A 1 ATOM 283 C CD . GLN A 1 35 ? 6.007 6.428 -11.626 1.00 92.05 35 A 1 ATOM 284 O OE1 . GLN A 1 35 ? 7.226 6.402 -11.509 1.00 85.77 35 A 1 ATOM 285 N NE2 . GLN A 1 35 ? 5.326 7.417 -11.082 1.00 82.52 35 A 1 ATOM 286 N N . PHE A 1 36 ? 5.081 0.565 -12.288 1.00 95.63 36 A 1 ATOM 287 C CA . PHE A 1 36 ? 5.662 -0.723 -11.912 1.00 95.45 36 A 1 ATOM 288 C C . PHE A 1 36 ? 5.026 -1.886 -12.667 1.00 94.88 36 A 1 ATOM 289 O O . PHE A 1 36 ? 3.804 -1.979 -12.779 1.00 93.40 36 A 1 ATOM 290 C CB . PHE A 1 36 ? 5.540 -0.917 -10.401 1.00 96.03 36 A 1 ATOM 291 C CG . PHE A 1 36 ? 6.230 0.169 -9.604 1.00 96.83 36 A 1 ATOM 292 C CD1 . PHE A 1 36 ? 7.616 0.105 -9.385 1.00 95.63 36 A 1 ATOM 293 C CD2 . PHE A 1 36 ? 5.493 1.267 -9.122 1.00 95.95 36 A 1 ATOM 294 C CE1 . PHE A 1 36 ? 8.261 1.130 -8.678 1.00 95.47 36 A 1 ATOM 295 C CE2 . PHE A 1 36 ? 6.141 2.294 -8.416 1.00 95.69 36 A 1 ATOM 296 C CZ . PHE A 1 36 ? 7.525 2.224 -8.194 1.00 96.32 36 A 1 ATOM 297 N N . GLU A 1 37 ? 5.871 -2.800 -13.139 1.00 94.65 37 A 1 ATOM 298 C CA . GLU A 1 37 ? 5.434 -4.004 -13.855 1.00 93.97 37 A 1 ATOM 299 C C . GLU A 1 37 ? 5.162 -5.168 -12.899 1.00 94.29 37 A 1 ATOM 300 O O . GLU A 1 37 ? 4.300 -5.997 -13.174 1.00 92.82 37 A 1 ATOM 301 C CB . GLU A 1 37 ? 6.495 -4.404 -14.890 1.00 93.39 37 A 1 ATOM 302 C CG . GLU A 1 37 ? 6.663 -3.332 -15.982 1.00 87.61 37 A 1 ATOM 303 C CD . GLU A 1 37 ? 7.681 -3.712 -17.071 1.00 81.09 37 A 1 ATOM 304 O OE1 . GLU A 1 37 ? 7.812 -2.904 -18.025 1.00 71.77 37 A 1 ATOM 305 O OE2 . GLU A 1 37 ? 8.323 -4.776 -16.959 1.00 72.67 37 A 1 ATOM 306 N N . THR A 1 38 ? 5.860 -5.225 -11.764 1.00 94.72 38 A 1 ATOM 307 C CA . THR A 1 38 ? 5.742 -6.307 -10.780 1.00 95.13 38 A 1 ATOM 308 C C . THR A 1 38 ? 5.596 -5.778 -9.353 1.00 95.45 38 A 1 ATOM 309 O O . THR A 1 38 ? 6.031 -4.671 -9.017 1.00 95.98 38 A 1 ATOM 310 C CB . THR A 1 38 ? 6.925 -7.286 -10.861 1.00 95.06 38 A 1 ATOM 311 O OG1 . THR A 1 38 ? 8.094 -6.692 -10.363 1.00 93.49 38 A 1 ATOM 312 C CG2 . THR A 1 38 ? 7.212 -7.800 -12.274 1.00 92.35 38 A 1 ATOM 313 N N . MET A 1 39 ? 4.999 -6.605 -8.478 1.00 95.52 39 A 1 ATOM 314 C CA . MET A 1 39 ? 4.929 -6.318 -7.042 1.00 95.94 39 A 1 ATOM 315 C C . MET A 1 39 ? 6.330 -6.219 -6.424 1.00 96.02 39 A 1 ATOM 316 O O . MET A 1 39 ? 6.556 -5.372 -5.563 1.00 96.03 39 A 1 ATOM 317 C CB . MET A 1 39 ? 4.083 -7.401 -6.347 1.00 95.76 39 A 1 ATOM 318 C CG . MET A 1 39 ? 3.855 -7.112 -4.861 1.00 94.66 39 A 1 ATOM 319 S SD . MET A 1 39 ? 2.939 -5.589 -4.472 1.00 94.40 39 A 1 ATOM 320 C CE . MET A 1 39 ? 1.255 -6.109 -4.909 1.00 89.13 39 A 1 ATOM 321 N N . ASP A 1 40 ? 7.277 -7.027 -6.897 1.00 95.83 40 A 1 ATOM 322 C CA . ASP A 1 40 ? 8.674 -6.980 -6.459 1.00 95.54 40 A 1 ATOM 323 C C . ASP A 1 40 ? 9.317 -5.609 -6.701 1.00 95.64 40 A 1 ATOM 324 O O . ASP A 1 40 ? 9.933 -5.050 -5.791 1.00 95.68 40 A 1 ATOM 325 C CB . ASP A 1 40 ? 9.483 -8.068 -7.186 1.00 94.94 40 A 1 ATOM 326 C CG . ASP A 1 40 ? 9.397 -9.458 -6.552 1.00 92.31 40 A 1 ATOM 327 O OD1 . ASP A 1 40 ? 8.733 -9.606 -5.504 1.00 88.35 40 A 1 ATOM 328 O OD2 . ASP A 1 40 ? 10.095 -10.356 -7.066 1.00 88.40 40 A 1 ATOM 329 N N . ASP A 1 41 ? 9.129 -5.028 -7.888 1.00 95.86 41 A 1 ATOM 330 C CA . ASP A 1 41 ? 9.678 -3.707 -8.231 1.00 95.44 41 A 1 ATOM 331 C C . ASP A 1 41 ? 9.048 -2.582 -7.397 1.00 96.14 41 A 1 ATOM 332 O O . ASP A 1 41 ? 9.730 -1.623 -7.003 1.00 95.69 41 A 1 ATOM 333 C CB . ASP A 1 41 ? 9.427 -3.400 -9.713 1.00 94.55 41 A 1 ATOM 334 C CG . ASP A 1 41 ? 10.166 -4.332 -10.670 1.00 85.36 41 A 1 ATOM 335 O OD1 . ASP A 1 41 ? 11.367 -4.584 -10.423 1.00 78.94 41 A 1 ATOM 336 O OD2 . ASP A 1 41 ? 9.509 -4.743 -11.652 1.00 78.05 41 A 1 ATOM 337 N N . LEU A 1 42 ? 7.741 -2.702 -7.114 1.00 94.95 42 A 1 ATOM 338 C CA . LEU A 1 42 ? 7.039 -1.768 -6.237 1.00 95.60 42 A 1 ATOM 339 C C . LEU A 1 42 ? 7.591 -1.848 -4.810 1.00 95.79 42 A 1 ATOM 340 O O . LEU A 1 42 ? 7.932 -0.813 -4.236 1.00 95.97 42 A 1 ATOM 341 C CB . LEU A 1 42 ? 5.524 -2.042 -6.301 1.00 96.33 42 A 1 ATOM 342 C CG . LEU A 1 42 ? 4.689 -1.183 -5.332 1.00 95.95 42 A 1 ATOM 343 C CD1 . LEU A 1 42 ? 4.826 0.319 -5.585 1.00 94.01 42 A 1 ATOM 344 C CD2 . LEU A 1 42 ? 3.211 -1.549 -5.450 1.00 94.25 42 A 1 ATOM 345 N N . ILE A 1 43 ? 7.723 -3.054 -4.245 1.00 95.77 43 A 1 ATOM 346 C CA . ILE A 1 43 ? 8.256 -3.265 -2.891 1.00 95.46 43 A 1 ATOM 347 C C . ILE A 1 43 ? 9.693 -2.752 -2.780 1.00 94.67 43 A 1 ATOM 348 O O . ILE A 1 43 ? 10.000 -2.028 -1.834 1.00 94.97 43 A 1 ATOM 349 C CB . ILE A 1 43 ? 8.145 -4.752 -2.477 1.00 95.97 43 A 1 ATOM 350 C CG1 . ILE A 1 43 ? 6.660 -5.125 -2.274 1.00 95.30 43 A 1 ATOM 351 C CG2 . ILE A 1 43 ? 8.938 -5.028 -1.181 1.00 95.23 43 A 1 ATOM 352 C CD1 . ILE A 1 43 ? 6.421 -6.628 -2.122 1.00 92.91 43 A 1 ATOM 353 N N . ASP A 1 44 ? 10.559 -3.045 -3.752 1.00 96.15 44 A 1 ATOM 354 C CA . ASP A 1 44 ? 11.940 -2.548 -3.752 1.00 95.52 44 A 1 ATOM 355 C C . ASP A 1 44 ? 11.998 -1.015 -3.705 1.00 95.31 44 A 1 ATOM 356 O O . ASP A 1 44 ? 12.823 -0.433 -2.997 1.00 95.16 44 A 1 ATOM 357 C CB . ASP A 1 44 ? 12.683 -3.033 -5.010 1.00 95.42 44 A 1 ATOM 358 C CG . ASP A 1 44 ? 13.077 -4.508 -4.988 1.00 94.14 44 A 1 ATOM 359 O OD1 . ASP A 1 44 ? 13.060 -5.155 -3.917 1.00 91.19 44 A 1 ATOM 360 O OD2 . ASP A 1 44 ? 13.450 -5.032 -6.061 1.00 91.14 44 A 1 ATOM 361 N N . SER A 1 45 ? 11.103 -0.349 -4.427 1.00 95.77 45 A 1 ATOM 362 C CA . SER A 1 45 ? 11.044 1.115 -4.446 1.00 95.69 45 A 1 ATOM 363 C C . SER A 1 45 ? 10.452 1.701 -3.161 1.00 95.52 45 A 1 ATOM 364 O O . SER A 1 45 ? 10.944 2.723 -2.676 1.00 95.27 45 A 1 ATOM 365 C CB . SER A 1 45 ? 10.270 1.591 -5.673 1.00 95.97 45 A 1 ATOM 366 O OG . SER A 1 45 ? 10.919 1.105 -6.838 1.00 91.28 45 A 1 ATOM 367 N N . LEU A 1 46 ? 9.440 1.044 -2.569 1.00 94.77 46 A 1 ATOM 368 C CA . LEU A 1 46 ? 8.865 1.424 -1.273 1.00 94.17 46 A 1 ATOM 369 C C . LEU A 1 46 ? 9.881 1.267 -0.135 1.00 93.62 46 A 1 ATOM 370 O O . LEU A 1 46 ? 10.035 2.191 0.666 1.00 93.48 46 A 1 ATOM 371 C CB . LEU A 1 46 ? 7.612 0.573 -0.990 1.00 94.87 46 A 1 ATOM 372 C CG . LEU A 1 46 ? 6.377 0.927 -1.841 1.00 94.65 46 A 1 ATOM 373 C CD1 . LEU A 1 46 ? 5.297 -0.138 -1.642 1.00 93.39 46 A 1 ATOM 374 C CD2 . LEU A 1 46 ? 5.779 2.279 -1.455 1.00 93.90 46 A 1 ATOM 375 N N . ASN A 1 47 ? 10.609 0.151 -0.095 1.00 94.55 47 A 1 ATOM 376 C CA . ASN A 1 47 ? 11.641 -0.096 0.911 1.00 93.73 47 A 1 ATOM 377 C C . ASN A 1 47 ? 12.823 0.868 0.744 1.00 93.08 47 A 1 ATOM 378 O O . ASN A 1 47 ? 13.256 1.486 1.715 1.00 92.61 47 A 1 ATOM 379 C CB . ASN A 1 47 ? 12.078 -1.569 0.841 1.00 93.95 47 A 1 ATOM 380 C CG . ASN A 1 47 ? 11.025 -2.538 1.355 1.00 94.01 47 A 1 ATOM 381 O OD1 . ASN A 1 47 ? 9.979 -2.182 1.873 1.00 90.56 47 A 1 ATOM 382 N ND2 . ASN A 1 47 ? 11.285 -3.819 1.256 1.00 90.09 47 A 1 ATOM 383 N N . SER A 1 48 ? 13.274 1.118 -0.483 1.00 93.12 48 A 1 ATOM 384 C CA . SER A 1 48 ? 14.308 2.139 -0.732 1.00 92.90 48 A 1 ATOM 385 C C . SER A 1 48 ? 13.870 3.541 -0.304 1.00 92.51 48 A 1 ATOM 386 O O . SER A 1 48 ? 14.677 4.324 0.209 1.00 91.73 48 A 1 ATOM 387 C CB . SER A 1 48 ? 14.659 2.166 -2.213 1.00 92.95 48 A 1 ATOM 388 O OG . SER A 1 48 ? 15.682 3.115 -2.455 1.00 82.89 48 A 1 ATOM 389 N N . TYR A 1 49 ? 12.596 3.882 -0.496 1.00 92.73 49 A 1 ATOM 390 C CA . TYR A 1 49 ? 12.043 5.125 0.026 1.00 92.39 49 A 1 ATOM 391 C C . TYR A 1 49 ? 12.076 5.140 1.560 1.00 91.62 49 A 1 ATOM 392 O O . TYR A 1 49 ? 12.503 6.140 2.140 1.00 90.22 49 A 1 ATOM 393 C CB . TYR A 1 49 ? 10.627 5.337 -0.523 1.00 92.82 49 A 1 ATOM 394 C CG . TYR A 1 49 ? 9.966 6.587 0.015 1.00 93.39 49 A 1 ATOM 395 C CD1 . TYR A 1 49 ? 9.225 6.540 1.215 1.00 91.66 49 A 1 ATOM 396 C CD2 . TYR A 1 49 ? 10.137 7.813 -0.656 1.00 92.00 49 A 1 ATOM 397 C CE1 . TYR A 1 49 ? 8.663 7.716 1.744 1.00 90.84 49 A 1 ATOM 398 C CE2 . TYR A 1 49 ? 9.575 8.992 -0.132 1.00 91.21 49 A 1 ATOM 399 C CZ . TYR A 1 49 ? 8.843 8.944 1.073 1.00 91.46 49 A 1 ATOM 400 O OH . TYR A 1 49 ? 8.316 10.087 1.594 1.00 90.18 49 A 1 ATOM 401 N N . ALA A 1 50 ? 11.683 4.040 2.212 1.00 91.56 50 A 1 ATOM 402 C CA . ALA A 1 50 ? 11.712 3.903 3.667 1.00 89.85 50 A 1 ATOM 403 C C . ALA A 1 50 ? 13.121 4.095 4.249 1.00 88.82 50 A 1 ATOM 404 O O . ALA A 1 50 ? 13.286 4.842 5.214 1.00 87.11 50 A 1 ATOM 405 C CB . ALA A 1 50 ? 11.111 2.544 4.052 1.00 89.46 50 A 1 ATOM 406 N N . ASP A 1 51 ? 14.132 3.526 3.598 1.00 89.49 51 A 1 ATOM 407 C CA . ASP A 1 51 ? 15.542 3.622 3.999 1.00 88.55 51 A 1 ATOM 408 C C . ASP A 1 51 ? 16.151 5.026 3.848 1.00 87.54 51 A 1 ATOM 409 O O . ASP A 1 51 ? 17.207 5.315 4.409 1.00 85.38 51 A 1 ATOM 410 C CB . ASP A 1 51 ? 16.372 2.644 3.153 1.00 87.51 51 A 1 ATOM 411 C CG . ASP A 1 51 ? 16.152 1.167 3.500 1.00 83.51 51 A 1 ATOM 412 O OD1 . ASP A 1 51 ? 15.741 0.884 4.646 1.00 79.90 51 A 1 ATOM 413 O OD2 . ASP A 1 51 ? 16.492 0.334 2.627 1.00 79.45 51 A 1 ATOM 414 N N . THR A 1 52 ? 15.535 5.902 3.063 1.00 88.50 52 A 1 ATOM 415 C CA . THR A 1 52 ? 16.112 7.215 2.713 1.00 87.31 52 A 1 ATOM 416 C C . THR A 1 52 ? 15.297 8.411 3.208 1.00 86.20 52 A 1 ATOM 417 O O . THR A 1 52 ? 15.827 9.517 3.303 1.00 82.57 52 A 1 ATOM 418 C CB . THR A 1 52 ? 16.361 7.318 1.201 1.00 86.40 52 A 1 ATOM 419 O OG1 . THR A 1 52 ? 15.193 7.021 0.462 1.00 81.31 52 A 1 ATOM 420 C CG2 . THR A 1 52 ? 17.442 6.355 0.720 1.00 78.54 52 A 1 ATOM 421 N N . HIS A 1 53 ? 14.017 8.216 3.566 1.00 83.65 53 A 1 ATOM 422 C CA . HIS A 1 53 ? 13.086 9.292 3.935 1.00 81.63 53 A 1 ATOM 423 C C . HIS A 1 53 ? 12.471 9.092 5.330 1.00 79.13 53 A 1 ATOM 424 O O . HIS A 1 53 ? 11.249 9.015 5.496 1.00 75.41 53 A 1 ATOM 425 C CB . HIS A 1 53 ? 12.031 9.482 2.837 1.00 81.92 53 A 1 ATOM 426 C CG . HIS A 1 53 ? 12.604 9.881 1.501 1.00 80.56 53 A 1 ATOM 427 N ND1 . HIS A 1 53 ? 13.214 9.046 0.599 1.00 71.20 53 A 1 ATOM 428 C CD2 . HIS A 1 53 ? 12.644 11.141 0.963 1.00 71.72 53 A 1 ATOM 429 C CE1 . HIS A 1 53 ? 13.622 9.780 -0.450 1.00 72.26 53 A 1 ATOM 430 N NE2 . HIS A 1 53 ? 13.284 11.069 -0.277 1.00 73.33 53 A 1 ATOM 431 N N . TYR A 1 54 ? 13.317 9.078 6.356 1.00 76.72 54 A 1 ATOM 432 C CA . TYR A 1 54 ? 12.923 8.843 7.759 1.00 73.61 54 A 1 ATOM 433 C C . TYR A 1 54 ? 11.877 9.830 8.309 1.00 74.14 54 A 1 ATOM 434 O O . TYR A 1 54 ? 11.062 9.471 9.152 1.00 69.22 54 A 1 ATOM 435 C CB . TYR A 1 54 ? 14.177 8.911 8.642 1.00 69.23 54 A 1 ATOM 436 C CG . TYR A 1 54 ? 15.270 7.951 8.225 1.00 62.37 54 A 1 ATOM 437 C CD1 . TYR A 1 54 ? 15.153 6.584 8.542 1.00 56.64 54 A 1 ATOM 438 C CD2 . TYR A 1 54 ? 16.388 8.413 7.503 1.00 54.37 54 A 1 ATOM 439 C CE1 . TYR A 1 54 ? 16.145 5.678 8.136 1.00 46.90 54 A 1 ATOM 440 C CE2 . TYR A 1 54 ? 17.386 7.508 7.089 1.00 47.19 54 A 1 ATOM 441 C CZ . TYR A 1 54 ? 17.262 6.139 7.409 1.00 44.63 54 A 1 ATOM 442 O OH . TYR A 1 54 ? 18.221 5.262 7.009 1.00 42.09 54 A 1 ATOM 443 N N . THR A 1 55 ? 11.888 11.084 7.859 1.00 74.72 55 A 1 ATOM 444 C CA . THR A 1 55 ? 10.976 12.131 8.359 1.00 73.05 55 A 1 ATOM 445 C C . THR A 1 55 ? 9.626 12.166 7.640 1.00 73.05 55 A 1 ATOM 446 O O . THR A 1 55 ? 8.689 12.798 8.126 1.00 69.07 55 A 1 ATOM 447 C CB . THR A 1 55 ? 11.633 13.516 8.275 1.00 70.33 55 A 1 ATOM 448 O OG1 . THR A 1 55 ? 12.062 13.777 6.954 1.00 64.72 55 A 1 ATOM 449 C CG2 . THR A 1 55 ? 12.860 13.630 9.176 1.00 62.82 55 A 1 ATOM 450 N N . TRP A 1 56 ? 9.511 11.507 6.489 1.00 77.56 56 A 1 ATOM 451 C CA . TRP A 1 56 ? 8.307 11.513 5.656 1.00 76.81 56 A 1 ATOM 452 C C . TRP A 1 56 ? 7.786 10.095 5.430 1.00 79.72 56 A 1 ATOM 453 O O . TRP A 1 56 ? 7.583 9.663 4.296 1.00 75.75 56 A 1 ATOM 454 C CB . TRP A 1 56 ? 8.573 12.259 4.334 1.00 71.76 56 A 1 ATOM 455 C CG . TRP A 1 56 ? 8.931 13.706 4.432 1.00 65.31 56 A 1 ATOM 456 C CD1 . TRP A 1 56 ? 8.677 14.541 5.467 1.00 56.75 56 A 1 ATOM 457 C CD2 . TRP A 1 56 ? 9.609 14.528 3.431 1.00 58.87 56 A 1 ATOM 458 N NE1 . TRP A 1 56 ? 9.157 15.802 5.194 1.00 49.89 56 A 1 ATOM 459 C CE2 . TRP A 1 56 ? 9.742 15.850 3.942 1.00 52.77 56 A 1 ATOM 460 C CE3 . TRP A 1 56 ? 10.124 14.286 2.140 1.00 48.87 56 A 1 ATOM 461 C CZ2 . TRP A 1 56 ? 10.368 16.874 3.218 1.00 49.32 56 A 1 ATOM 462 C CZ3 . TRP A 1 56 ? 10.746 15.304 1.406 1.00 46.48 56 A 1 ATOM 463 C CH2 . TRP A 1 56 ? 10.874 16.595 1.937 1.00 45.24 56 A 1 ATOM 464 N N . ALA A 1 57 ? 7.555 9.388 6.533 1.00 83.41 57 A 1 ATOM 465 C CA . ALA A 1 57 ? 7.023 8.033 6.520 1.00 84.10 57 A 1 ATOM 466 C C . ALA A 1 57 ? 5.715 7.918 5.715 1.00 86.12 57 A 1 ATOM 467 O O . ALA A 1 57 ? 4.844 8.795 5.772 1.00 84.56 57 A 1 ATOM 468 C CB . ALA A 1 57 ? 6.829 7.584 7.972 1.00 80.04 57 A 1 ATOM 469 N N . ILE A 1 58 ? 5.578 6.817 4.980 1.00 85.97 58 A 1 ATOM 470 C CA . ILE A 1 58 ? 4.307 6.389 4.389 1.00 88.70 58 A 1 ATOM 471 C C . ILE A 1 58 ? 3.443 5.852 5.532 1.00 88.91 58 A 1 ATOM 472 O O . ILE A 1 58 ? 3.845 4.937 6.252 1.00 88.09 58 A 1 ATOM 473 C CB . ILE A 1 58 ? 4.531 5.338 3.278 1.00 89.76 58 A 1 ATOM 474 C CG1 . ILE A 1 58 ? 5.423 5.901 2.147 1.00 87.41 58 A 1 ATOM 475 C CG2 . ILE A 1 58 ? 3.178 4.884 2.694 1.00 86.09 58 A 1 ATOM 476 C CD1 . ILE A 1 58 ? 5.872 4.852 1.124 1.00 84.72 58 A 1 ATOM 477 N N . THR A 1 59 ? 2.257 6.423 5.717 1.00 90.06 59 A 1 ATOM 478 C CA . THR A 1 59 ? 1.338 5.954 6.759 1.00 90.38 59 A 1 ATOM 479 C C . THR A 1 59 ? 0.751 4.595 6.386 1.00 91.88 59 A 1 ATOM 480 O O . THR A 1 59 ? 0.655 4.247 5.206 1.00 92.07 59 A 1 ATOM 481 C CB . THR A 1 59 ? 0.210 6.951 7.054 1.00 88.79 59 A 1 ATOM 482 O OG1 . THR A 1 59 ? -0.690 7.038 5.975 1.00 85.28 59 A 1 ATOM 483 C CG2 . THR A 1 59 ? 0.715 8.358 7.364 1.00 82.90 59 A 1 ATOM 484 N N . TYR A 1 60 ? 0.271 3.856 7.385 1.00 88.95 60 A 1 ATOM 485 C CA . TYR A 1 60 ? -0.370 2.554 7.205 1.00 91.33 60 A 1 ATOM 486 C C . TYR A 1 60 ? -1.470 2.581 6.128 1.00 92.69 60 A 1 ATOM 487 O O . TYR A 1 60 ? -1.453 1.801 5.176 1.00 92.63 60 A 1 ATOM 488 C CB . TYR A 1 60 ? -0.925 2.123 8.562 1.00 90.89 60 A 1 ATOM 489 C CG . TYR A 1 60 ? -1.571 0.758 8.543 1.00 89.15 60 A 1 ATOM 490 C CD1 . TYR A 1 60 ? -2.947 0.638 8.283 1.00 86.63 60 A 1 ATOM 491 C CD2 . TYR A 1 60 ? -0.793 -0.390 8.786 1.00 86.80 60 A 1 ATOM 492 C CE1 . TYR A 1 60 ? -3.550 -0.629 8.270 1.00 82.41 60 A 1 ATOM 493 C CE2 . TYR A 1 60 ? -1.395 -1.659 8.779 1.00 82.82 60 A 1 ATOM 494 C CZ . TYR A 1 60 ? -2.776 -1.778 8.524 1.00 83.70 60 A 1 ATOM 495 O OH . TYR A 1 60 ? -3.375 -2.996 8.529 1.00 82.37 60 A 1 ATOM 496 N N . PHE A 1 61 ? -2.386 3.547 6.200 1.00 91.26 61 A 1 ATOM 497 C CA . PHE A 1 61 ? -3.493 3.648 5.243 1.00 91.69 61 A 1 ATOM 498 C C . PHE A 1 61 ? -3.095 4.213 3.872 1.00 92.92 61 A 1 ATOM 499 O O . PHE A 1 61 ? -3.822 4.013 2.897 1.00 92.81 61 A 1 ATOM 500 C CB . PHE A 1 61 ? -4.616 4.476 5.859 1.00 90.58 61 A 1 ATOM 501 C CG . PHE A 1 61 ? -5.232 3.878 7.108 1.00 87.18 61 A 1 ATOM 502 C CD1 . PHE A 1 61 ? -5.750 2.569 7.088 1.00 82.79 61 A 1 ATOM 503 C CD2 . PHE A 1 61 ? -5.304 4.636 8.292 1.00 81.94 61 A 1 ATOM 504 C CE1 . PHE A 1 61 ? -6.336 2.020 8.241 1.00 78.07 61 A 1 ATOM 505 C CE2 . PHE A 1 61 ? -5.893 4.089 9.445 1.00 77.66 61 A 1 ATOM 506 C CZ . PHE A 1 61 ? -6.409 2.781 9.417 1.00 79.08 61 A 1 ATOM 507 N N . GLN A 1 62 ? -1.973 4.927 3.760 1.00 92.27 62 A 1 ATOM 508 C CA . GLN A 1 62 ? -1.392 5.289 2.464 1.00 92.88 62 A 1 ATOM 509 C C . GLN A 1 62 ? -0.803 4.048 1.792 1.00 94.04 62 A 1 ATOM 510 O O . GLN A 1 62 ? -1.119 3.788 0.630 1.00 94.68 62 A 1 ATOM 511 C CB . GLN A 1 62 ? -0.318 6.374 2.638 1.00 92.04 62 A 1 ATOM 512 C CG . GLN A 1 62 ? -0.922 7.762 2.907 1.00 89.30 62 A 1 ATOM 513 C CD . GLN A 1 62 ? 0.105 8.775 3.395 1.00 87.92 62 A 1 ATOM 514 O OE1 . GLN A 1 62 ? 1.222 8.467 3.774 1.00 82.76 62 A 1 ATOM 515 N NE2 . GLN A 1 62 ? -0.235 10.045 3.440 1.00 79.33 62 A 1 ATOM 516 N N . LEU A 1 63 ? -0.036 3.253 2.530 1.00 92.69 63 A 1 ATOM 517 C CA . LEU A 1 63 ? 0.511 1.988 2.046 1.00 93.90 63 A 1 ATOM 518 C C . LEU A 1 63 ? -0.605 1.030 1.608 1.00 94.64 63 A 1 ATOM 519 O O . LEU A 1 63 ? -0.549 0.504 0.501 1.00 95.26 63 A 1 ATOM 520 C CB . LEU A 1 63 ? 1.397 1.379 3.146 1.00 94.12 63 A 1 ATOM 521 C CG . LEU A 1 63 ? 2.042 0.039 2.755 1.00 91.44 63 A 1 ATOM 522 C CD1 . LEU A 1 63 ? 2.969 0.176 1.546 1.00 88.22 63 A 1 ATOM 523 C CD2 . LEU A 1 63 ? 2.856 -0.492 3.934 1.00 89.53 63 A 1 ATOM 524 N N . ALA A 1 64 ? -1.659 0.887 2.417 1.00 93.91 64 A 1 ATOM 525 C CA . ALA A 1 64 ? -2.829 0.075 2.083 1.00 94.47 64 A 1 ATOM 526 C C . ALA A 1 64 ? -3.427 0.446 0.718 1.00 95.17 64 A 1 ATOM 527 O O . ALA A 1 64 ? -3.642 -0.414 -0.134 1.00 95.58 64 A 1 ATOM 528 C CB . ALA A 1 64 ? -3.868 0.249 3.198 1.00 94.23 64 A 1 ATOM 529 N N . ARG A 1 65 ? -3.641 1.737 0.472 1.00 94.35 65 A 1 ATOM 530 C CA . ARG A 1 65 ? -4.172 2.218 -0.811 1.00 94.93 65 A 1 ATOM 531 C C . ARG A 1 65 ? -3.218 1.970 -1.979 1.00 95.63 65 A 1 ATOM 532 O O . ARG A 1 65 ? -3.693 1.658 -3.067 1.00 95.82 65 A 1 ATOM 533 C CB . ARG A 1 65 ? -4.514 3.705 -0.703 1.00 94.63 65 A 1 ATOM 534 C CG . ARG A 1 65 ? -5.772 3.948 0.137 1.00 92.76 65 A 1 ATOM 535 C CD . ARG A 1 65 ? -5.982 5.456 0.314 1.00 91.03 65 A 1 ATOM 536 N NE . ARG A 1 65 ? -7.197 5.776 1.071 1.00 87.90 65 A 1 ATOM 537 C CZ . ARG A 1 65 ? -7.353 5.722 2.381 1.00 83.29 65 A 1 ATOM 538 N NH1 . ARG A 1 65 ? -6.406 5.322 3.180 1.00 77.30 65 A 1 ATOM 539 N NH2 . ARG A 1 65 ? -8.489 6.075 2.922 1.00 77.54 65 A 1 ATOM 540 N N . ILE A 1 66 ? -1.901 2.094 -1.768 1.00 94.45 66 A 1 ATOM 541 C CA . ILE A 1 66 ? -0.895 1.803 -2.801 1.00 95.01 66 A 1 ATOM 542 C C . ILE A 1 66 ? -0.949 0.317 -3.184 1.00 95.37 66 A 1 ATOM 543 O O . ILE A 1 66 ? -1.088 0.001 -4.365 1.00 95.82 66 A 1 ATOM 544 C CB . ILE A 1 66 ? 0.517 2.241 -2.334 1.00 96.05 66 A 1 ATOM 545 C CG1 . ILE A 1 66 ? 0.600 3.783 -2.235 1.00 95.47 66 A 1 ATOM 546 C CG2 . ILE A 1 66 ? 1.600 1.733 -3.301 1.00 95.27 66 A 1 ATOM 547 C CD1 . ILE A 1 66 ? 1.816 4.292 -1.451 1.00 93.34 66 A 1 ATOM 548 N N . ILE A 1 67 ? -0.925 -0.580 -2.197 1.00 94.90 67 A 1 ATOM 549 C CA . ILE A 1 67 ? -0.967 -2.029 -2.438 1.00 94.36 67 A 1 ATOM 550 C C . ILE A 1 67 ? -2.284 -2.441 -3.112 1.00 94.62 67 A 1 ATOM 551 O O . ILE A 1 67 ? -2.260 -3.129 -4.129 1.00 95.53 67 A 1 ATOM 552 C CB . ILE A 1 67 ? -0.719 -2.801 -1.123 1.00 95.13 67 A 1 ATOM 553 C CG1 . ILE A 1 67 ? 0.683 -2.520 -0.524 1.00 94.05 67 A 1 ATOM 554 C CG2 . ILE A 1 67 ? -0.913 -4.316 -1.313 1.00 94.43 67 A 1 ATOM 555 C CD1 . ILE A 1 67 ? 1.876 -2.839 -1.435 1.00 89.75 67 A 1 ATOM 556 N N . ILE A 1 68 ? -3.430 -1.975 -2.605 1.00 94.44 68 A 1 ATOM 557 C CA . ILE A 1 68 ? -4.750 -2.275 -3.183 1.00 94.44 68 A 1 ATOM 558 C C . ILE A 1 68 ? -4.852 -1.747 -4.624 1.00 94.39 68 A 1 ATOM 559 O O . ILE A 1 68 ? -5.368 -2.438 -5.500 1.00 95.04 68 A 1 ATOM 560 C CB . ILE A 1 68 ? -5.866 -1.696 -2.285 1.00 95.49 68 A 1 ATOM 561 C CG1 . ILE A 1 68 ? -5.935 -2.440 -0.932 1.00 95.25 68 A 1 ATOM 562 C CG2 . ILE A 1 68 ? -7.242 -1.771 -2.977 1.00 95.00 68 A 1 ATOM 563 C CD1 . ILE A 1 68 ? -6.710 -1.674 0.146 1.00 93.18 68 A 1 ATOM 564 N N . SER A 1 69 ? -4.354 -0.538 -4.892 1.00 94.12 69 A 1 ATOM 565 C CA . SER A 1 69 ? -4.354 0.039 -6.240 1.00 94.00 69 A 1 ATOM 566 C C . SER A 1 69 ? -3.506 -0.778 -7.208 1.00 93.52 69 A 1 ATOM 567 O O . SER A 1 69 ? -3.930 -0.995 -8.341 1.00 94.11 69 A 1 ATOM 568 C CB . SER A 1 69 ? -3.837 1.477 -6.206 1.00 94.94 69 A 1 ATOM 569 O OG . SER A 1 69 ? -3.936 2.067 -7.491 1.00 89.17 69 A 1 ATOM 570 N N . PHE A 1 70 ? -2.341 -1.243 -6.774 1.00 94.68 70 A 1 ATOM 571 C CA . PHE A 1 70 ? -1.490 -2.096 -7.597 1.00 93.94 70 A 1 ATOM 572 C C . PHE A 1 70 ? -2.179 -3.428 -7.909 1.00 93.35 70 A 1 ATOM 573 O O . PHE A 1 70 ? -2.338 -3.779 -9.079 1.00 92.95 70 A 1 ATOM 574 C CB . PHE A 1 70 ? -0.138 -2.296 -6.903 1.00 95.02 70 A 1 ATOM 575 C CG . PHE A 1 70 ? 0.845 -3.030 -7.791 1.00 95.18 70 A 1 ATOM 576 C CD1 . PHE A 1 70 ? 0.940 -4.430 -7.738 1.00 92.85 70 A 1 ATOM 577 C CD2 . PHE A 1 70 ? 1.622 -2.309 -8.717 1.00 92.99 70 A 1 ATOM 578 C CE1 . PHE A 1 70 ? 1.806 -5.108 -8.614 1.00 90.71 70 A 1 ATOM 579 C CE2 . PHE A 1 70 ? 2.486 -2.985 -9.589 1.00 91.24 70 A 1 ATOM 580 C CZ . PHE A 1 70 ? 2.575 -4.387 -9.541 1.00 91.91 70 A 1 ATOM 581 N N . GLN A 1 71 ? -2.685 -4.125 -6.880 1.00 94.70 71 A 1 ATOM 582 C CA . GLN A 1 71 ? -3.377 -5.411 -7.031 1.00 93.67 71 A 1 ATOM 583 C C . GLN A 1 71 ? -4.653 -5.326 -7.890 1.00 93.17 71 A 1 ATOM 584 O O . GLN A 1 71 ? -5.054 -6.316 -8.490 1.00 93.34 71 A 1 ATOM 585 C CB . GLN A 1 71 ? -3.746 -5.953 -5.646 1.00 94.29 71 A 1 ATOM 586 C CG . GLN A 1 71 ? -2.530 -6.456 -4.857 1.00 93.19 71 A 1 ATOM 587 C CD . GLN A 1 71 ? -2.934 -7.010 -3.493 1.00 92.95 71 A 1 ATOM 588 O OE1 . GLN A 1 71 ? -3.822 -6.511 -2.818 1.00 88.43 71 A 1 ATOM 589 N NE2 . GLN A 1 71 ? -2.309 -8.074 -3.043 1.00 85.53 71 A 1 ATOM 590 N N . ALA A 1 72 ? -5.303 -4.169 -7.958 1.00 93.73 72 A 1 ATOM 591 C CA . ALA A 1 72 ? -6.492 -3.984 -8.791 1.00 93.03 72 A 1 ATOM 592 C C . ALA A 1 72 ? -6.194 -4.060 -10.298 1.00 92.40 72 A 1 ATOM 593 O O . ALA A 1 72 ? -7.088 -4.409 -11.068 1.00 90.67 72 A 1 ATOM 594 C CB . ALA A 1 72 ? -7.144 -2.650 -8.424 1.00 93.80 72 A 1 ATOM 595 N N . SER A 1 73 ? -4.969 -3.735 -10.709 1.00 93.97 73 A 1 ATOM 596 C CA . SER A 1 73 ? -4.535 -3.698 -12.112 1.00 91.96 73 A 1 ATOM 597 C C . SER A 1 73 ? -3.442 -4.709 -12.458 1.00 91.80 73 A 1 ATOM 598 O O . SER A 1 73 ? -3.129 -4.882 -13.634 1.00 89.34 73 A 1 ATOM 599 C CB . SER A 1 73 ? -4.078 -2.281 -12.477 1.00 90.69 73 A 1 ATOM 600 O OG . SER A 1 73 ? -3.053 -1.806 -11.624 1.00 83.98 73 A 1 ATOM 601 N N . ASN A 1 74 ? -2.847 -5.372 -11.455 1.00 91.60 74 A 1 ATOM 602 C CA . ASN A 1 74 ? -1.717 -6.266 -11.641 1.00 90.92 74 A 1 ATOM 603 C C . ASN A 1 74 ? -1.829 -7.498 -10.724 1.00 89.26 74 A 1 ATOM 604 O O . ASN A 1 74 ? -1.980 -7.373 -9.512 1.00 86.69 74 A 1 ATOM 605 C CB . ASN A 1 74 ? -0.431 -5.458 -11.412 1.00 90.69 74 A 1 ATOM 606 C CG . ASN A 1 74 ? 0.798 -6.206 -11.881 1.00 89.00 74 A 1 ATOM 607 O OD1 . ASN A 1 74 ? 0.965 -7.385 -11.620 1.00 81.31 74 A 1 ATOM 608 N ND2 . ASN A 1 74 ? 1.688 -5.557 -12.593 1.00 81.88 74 A 1 ATOM 609 N N . ASN A 1 75 ? -1.726 -8.688 -11.309 1.00 91.01 75 A 1 ATOM 610 C CA . ASN A 1 75 ? -1.870 -9.969 -10.612 1.00 89.09 75 A 1 ATOM 611 C C . ASN A 1 75 ? -0.529 -10.591 -10.186 1.00 89.30 75 A 1 ATOM 612 O O . ASN A 1 75 ? -0.500 -11.756 -9.790 1.00 85.66 75 A 1 ATOM 613 C CB . ASN A 1 75 ? -2.688 -10.928 -11.490 1.00 86.88 75 A 1 ATOM 614 C CG . ASN A 1 75 ? -4.116 -10.471 -11.706 1.00 78.45 75 A 1 ATOM 615 O OD1 . ASN A 1 75 ? -4.774 -9.910 -10.851 1.00 70.20 75 A 1 ATOM 616 N ND2 . ASN A 1 75 ? -4.665 -10.721 -12.869 1.00 70.31 75 A 1 ATOM 617 N N . THR A 1 76 ? 0.581 -9.871 -10.295 1.00 89.56 76 A 1 ATOM 618 C CA . THR A 1 76 ? 1.877 -10.385 -9.838 1.00 88.85 76 A 1 ATOM 619 C C . THR A 1 76 ? 1.902 -10.494 -8.316 1.00 89.31 76 A 1 ATOM 620 O O . THR A 1 76 ? 1.446 -9.605 -7.591 1.00 88.38 76 A 1 ATOM 621 C CB . THR A 1 76 ? 3.077 -9.576 -10.345 1.00 89.64 76 A 1 ATOM 622 O OG1 . THR A 1 76 ? 3.016 -8.236 -9.937 1.00 88.68 76 A 1 ATOM 623 C CG2 . THR A 1 76 ? 3.183 -9.607 -11.869 1.00 86.79 76 A 1 ATOM 624 N N . THR A 1 77 ? 2.442 -11.604 -7.819 1.00 88.66 77 A 1 ATOM 625 C CA . THR A 1 77 ? 2.641 -11.863 -6.390 1.00 87.57 77 A 1 ATOM 626 C C . THR A 1 77 ? 4.094 -11.611 -6.003 1.00 88.65 77 A 1 ATOM 627 O O . THR A 1 77 ? 4.972 -11.546 -6.863 1.00 87.72 77 A 1 ATOM 628 C CB . THR A 1 77 ? 2.220 -13.289 -6.019 1.00 86.44 77 A 1 ATOM 629 O OG1 . THR A 1 77 ? 2.919 -14.230 -6.801 1.00 83.35 77 A 1 ATOM 630 C CG2 . THR A 1 77 ? 0.726 -13.512 -6.268 1.00 80.43 77 A 1 ATOM 631 N N . SER A 1 78 ? 4.351 -11.463 -4.699 1.00 90.74 78 A 1 ATOM 632 C CA . SER A 1 78 ? 5.700 -11.279 -4.176 1.00 91.12 78 A 1 ATOM 633 C C . SER A 1 78 ? 5.858 -11.943 -2.814 1.00 90.95 78 A 1 ATOM 634 O O . SER A 1 78 ? 4.990 -11.814 -1.952 1.00 89.96 78 A 1 ATOM 635 C CB . SER A 1 78 ? 6.010 -9.788 -4.059 1.00 91.11 78 A 1 ATOM 636 O OG . SER A 1 78 ? 7.341 -9.605 -3.637 1.00 88.74 78 A 1 ATOM 637 N N . GLU A 1 79 ? 7.000 -12.585 -2.598 1.00 91.25 79 A 1 ATOM 638 C CA . GLU A 1 79 ? 7.443 -13.072 -1.284 1.00 91.01 79 A 1 ATOM 639 C C . GLU A 1 79 ? 8.329 -12.048 -0.551 1.00 92.73 79 A 1 ATOM 640 O O . GLU A 1 79 ? 8.710 -12.251 0.609 1.00 91.05 79 A 1 ATOM 641 C CB . GLU A 1 79 ? 8.187 -14.403 -1.437 1.00 89.66 79 A 1 ATOM 642 C CG . GLU A 1 79 ? 7.314 -15.515 -2.041 1.00 84.86 79 A 1 ATOM 643 C CD . GLU A 1 79 ? 7.999 -16.891 -2.008 1.00 77.75 79 A 1 ATOM 644 O OE1 . GLU A 1 79 ? 7.280 -17.896 -2.194 1.00 69.84 79 A 1 ATOM 645 O OE2 . GLU A 1 79 ? 9.231 -16.947 -1.773 1.00 72.03 79 A 1 ATOM 646 N N . LYS A 1 80 ? 8.673 -10.927 -1.200 1.00 93.08 80 A 1 ATOM 647 C CA . LYS A 1 80 ? 9.438 -9.851 -0.571 1.00 93.51 80 A 1 ATOM 648 C C . LYS A 1 80 ? 8.637 -9.234 0.568 1.00 94.28 80 A 1 ATOM 649 O O . LYS A 1 80 ? 7.407 -9.167 0.554 1.00 94.39 80 A 1 ATOM 650 C CB . LYS A 1 80 ? 9.854 -8.772 -1.580 1.00 93.73 80 A 1 ATOM 651 C CG . LYS A 1 80 ? 10.906 -9.267 -2.581 1.00 93.34 80 A 1 ATOM 652 C CD . LYS A 1 80 ? 11.318 -8.112 -3.496 1.00 91.80 80 A 1 ATOM 653 C CE . LYS A 1 80 ? 12.320 -8.573 -4.555 1.00 89.20 80 A 1 ATOM 654 N NZ . LYS A 1 80 ? 12.612 -7.484 -5.507 1.00 82.36 80 A 1 ATOM 655 N N . LYS A 1 81 ? 9.367 -8.749 1.566 1.00 94.32 81 A 1 ATOM 656 C CA . LYS A 1 81 ? 8.788 -8.069 2.721 1.00 94.62 81 A 1 ATOM 657 C C . LYS A 1 81 ? 8.804 -6.562 2.524 1.00 94.83 81 A 1 ATOM 658 O O . LYS A 1 81 ? 9.789 -6.005 2.041 1.00 94.59 81 A 1 ATOM 659 C CB . LYS A 1 81 ? 9.507 -8.483 4.002 1.00 94.44 81 A 1 ATOM 660 C CG . LYS A 1 81 ? 9.281 -9.968 4.297 1.00 92.44 81 A 1 ATOM 661 C CD . LYS A 1 81 ? 9.991 -10.375 5.587 1.00 88.87 81 A 1 ATOM 662 C CE . LYS A 1 81 ? 9.744 -11.865 5.809 1.00 83.82 81 A 1 ATOM 663 N NZ . LYS A 1 81 ? 10.463 -12.356 7.002 1.00 73.60 81 A 1 ATOM 664 N N . ILE A 1 82 ? 7.720 -5.926 2.957 1.00 93.83 82 A 1 ATOM 665 C CA . ILE A 1 82 ? 7.555 -4.476 3.020 1.00 93.61 82 A 1 ATOM 666 C C . ILE A 1 82 ? 7.998 -4.004 4.404 1.00 93.20 82 A 1 ATOM 667 O O . ILE A 1 82 ? 7.604 -4.590 5.419 1.00 92.86 82 A 1 ATOM 668 C CB . ILE A 1 82 ? 6.090 -4.086 2.735 1.00 93.68 82 A 1 ATOM 669 C CG1 . ILE A 1 82 ? 5.597 -4.637 1.380 1.00 86.51 82 A 1 ATOM 670 C CG2 . ILE A 1 82 ? 5.946 -2.555 2.767 1.00 86.49 82 A 1 ATOM 671 C CD1 . ILE A 1 82 ? 4.076 -4.558 1.217 1.00 83.18 82 A 1 ATOM 672 N N . ASP A 1 83 ? 8.771 -2.927 4.446 1.00 93.12 83 A 1 ATOM 673 C CA . ASP A 1 83 ? 9.172 -2.238 5.670 1.00 91.70 83 A 1 ATOM 674 C C . ASP A 1 83 ? 8.083 -1.239 6.097 1.00 91.26 83 A 1 ATOM 675 O O . ASP A 1 83 ? 7.782 -0.263 5.405 1.00 90.80 83 A 1 ATOM 676 C CB . ASP A 1 83 ? 10.553 -1.585 5.468 1.00 90.59 83 A 1 ATOM 677 C CG . ASP A 1 83 ? 11.670 -2.638 5.373 1.00 83.41 83 A 1 ATOM 678 O OD1 . ASP A 1 83 ? 11.605 -3.635 6.124 1.00 78.26 83 A 1 ATOM 679 O OD2 . ASP A 1 83 ? 12.615 -2.520 4.569 1.00 77.69 83 A 1 ATOM 680 N N . LEU A 1 84 ? 7.449 -1.495 7.254 1.00 91.12 84 A 1 ATOM 681 C CA . LEU A 1 84 ? 6.362 -0.670 7.777 1.00 90.65 84 A 1 ATOM 682 C C . LEU A 1 84 ? 6.922 0.546 8.518 1.00 88.97 84 A 1 ATOM 683 O O . LEU A 1 84 ? 7.298 0.475 9.686 1.00 87.17 84 A 1 ATOM 684 C CB . LEU A 1 84 ? 5.446 -1.502 8.685 1.00 91.48 84 A 1 ATOM 685 C CG . LEU A 1 84 ? 4.791 -2.729 8.028 1.00 91.23 84 A 1 ATOM 686 C CD1 . LEU A 1 84 ? 3.890 -3.403 9.062 1.00 89.20 84 A 1 ATOM 687 C CD2 . LEU A 1 84 ? 3.940 -2.374 6.807 1.00 89.77 84 A 1 ATOM 688 N N . GLN A 1 85 ? 6.907 1.702 7.859 1.00 90.26 85 A 1 ATOM 689 C CA . GLN A 1 85 ? 7.326 2.969 8.479 1.00 88.07 85 A 1 ATOM 690 C C . GLN A 1 85 ? 6.337 3.482 9.544 1.00 86.51 85 A 1 ATOM 691 O O . GLN A 1 85 ? 6.698 4.304 10.382 1.00 83.07 85 A 1 ATOM 692 C CB . GLN A 1 85 ? 7.498 4.037 7.396 1.00 87.15 85 A 1 ATOM 693 C CG . GLN A 1 85 ? 8.540 3.695 6.330 1.00 83.46 85 A 1 ATOM 694 C CD . GLN A 1 85 ? 8.688 4.857 5.353 1.00 79.77 85 A 1 ATOM 695 O OE1 . GLN A 1 85 ? 7.838 5.102 4.511 1.00 73.67 85 A 1 ATOM 696 N NE2 . GLN A 1 85 ? 9.733 5.643 5.453 1.00 70.63 85 A 1 ATOM 697 N N . SER A 1 86 ? 5.086 3.023 9.516 1.00 86.93 86 A 1 ATOM 698 C CA . SER A 1 86 ? 4.023 3.407 10.456 1.00 85.60 86 A 1 ATOM 699 C C . SER A 1 86 ? 4.082 2.685 11.810 1.00 86.04 86 A 1 ATOM 700 O O . SER A 1 86 ? 3.280 2.988 12.689 1.00 82.84 86 A 1 ATOM 701 C CB . SER A 1 86 ? 2.662 3.180 9.797 1.00 84.38 86 A 1 ATOM 702 O OG . SER A 1 86 ? 2.556 1.849 9.322 1.00 79.63 86 A 1 ATOM 703 N N . GLY A 1 87 ? 5.012 1.740 11.987 1.00 87.01 87 A 1 ATOM 704 C CA . GLY A 1 87 ? 5.125 0.890 13.172 1.00 87.46 87 A 1 ATOM 705 C C . GLY A 1 87 ? 4.728 -0.566 12.904 1.00 89.79 87 A 1 ATOM 706 O O . GLY A 1 87 ? 4.312 -0.903 11.796 1.00 89.23 87 A 1 ATOM 707 N N . PRO A 1 88 ? 4.899 -1.450 13.907 1.00 89.14 88 A 1 ATOM 708 C CA . PRO A 1 88 ? 4.651 -2.874 13.746 1.00 90.24 88 A 1 ATOM 709 C C . PRO A 1 88 ? 3.153 -3.198 13.685 1.00 90.86 88 A 1 ATOM 710 O O . PRO A 1 88 ? 2.343 -2.543 14.336 1.00 89.88 88 A 1 ATOM 711 C CB . PRO A 1 88 ? 5.318 -3.539 14.950 1.00 89.16 88 A 1 ATOM 712 C CG . PRO A 1 88 ? 5.211 -2.472 16.042 1.00 88.28 88 A 1 ATOM 713 C CD . PRO A 1 88 ? 5.365 -1.164 15.262 1.00 91.13 88 A 1 ATOM 714 N N . ILE A 1 89 ? 2.822 -4.286 12.981 1.00 90.38 89 A 1 ATOM 715 C CA . ILE A 1 89 ? 1.516 -4.955 13.036 1.00 90.55 89 A 1 ATOM 716 C C . ILE A 1 89 ? 1.639 -6.318 13.722 1.00 90.45 89 A 1 ATOM 717 O O . ILE A 1 89 ? 2.731 -6.898 13.785 1.00 90.86 89 A 1 ATOM 718 C CB . ILE A 1 89 ? 0.864 -5.065 11.637 1.00 91.46 89 A 1 ATOM 719 C CG1 . ILE A 1 89 ? 1.664 -5.978 10.680 1.00 90.52 89 A 1 ATOM 720 C CG2 . ILE A 1 89 ? 0.663 -3.654 11.058 1.00 89.05 89 A 1 ATOM 721 C CD1 . ILE A 1 89 ? 0.969 -6.228 9.333 1.00 89.72 89 A 1 ATOM 722 N N . GLU A 1 90 ? 0.524 -6.844 14.227 1.00 88.90 90 A 1 ATOM 723 C CA . GLU A 1 90 ? 0.480 -8.183 14.815 1.00 88.66 90 A 1 ATOM 724 C C . GLU A 1 90 ? 0.218 -9.245 13.741 1.00 88.13 90 A 1 ATOM 725 O O . GLU A 1 90 ? -0.799 -9.234 13.060 1.00 87.87 90 A 1 ATOM 726 C CB . GLU A 1 90 ? -0.542 -8.242 15.960 1.00 89.18 90 A 1 ATOM 727 C CG . GLU A 1 90 ? -0.369 -9.546 16.756 1.00 83.75 90 A 1 ATOM 728 C CD . GLU A 1 90 ? -1.337 -9.683 17.935 1.00 81.32 90 A 1 ATOM 729 O OE1 . GLU A 1 90 ? -1.786 -10.831 18.160 1.00 73.68 90 A 1 ATOM 730 O OE2 . GLU A 1 90 ? -1.557 -8.677 18.644 1.00 75.87 90 A 1 ATOM 731 N N . VAL A 1 91 ? 1.134 -10.203 13.620 1.00 90.81 91 A 1 ATOM 732 C CA . VAL A 1 91 ? 1.007 -11.352 12.718 1.00 89.73 91 A 1 ATOM 733 C C . VAL A 1 91 ? 1.249 -12.623 13.519 1.00 89.97 91 A 1 ATOM 734 O O . VAL A 1 91 ? 2.364 -12.865 13.988 1.00 89.26 91 A 1 ATOM 735 C CB . VAL A 1 91 ? 1.986 -11.253 11.534 1.00 88.97 91 A 1 ATOM 736 C CG1 . VAL A 1 91 ? 1.788 -12.442 10.582 1.00 86.63 91 A 1 ATOM 737 C CG2 . VAL A 1 91 ? 1.821 -9.956 10.734 1.00 87.09 91 A 1 ATOM 738 N N . ASN A 1 92 ? 0.209 -13.453 13.680 1.00 90.13 92 A 1 ATOM 739 C CA . ASN A 1 92 ? 0.247 -14.702 14.449 1.00 89.79 92 A 1 ATOM 740 C C . ASN A 1 92 ? 0.777 -14.504 15.888 1.00 91.14 92 A 1 ATOM 741 O O . ASN A 1 92 ? 1.667 -15.228 16.339 1.00 89.22 92 A 1 ATOM 742 C CB . ASN A 1 92 ? 1.026 -15.773 13.651 1.00 88.57 92 A 1 ATOM 743 C CG . ASN A 1 92 ? 0.420 -16.056 12.288 1.00 84.52 92 A 1 ATOM 744 O OD1 . ASN A 1 92 ? -0.781 -16.066 12.106 1.00 78.37 92 A 1 ATOM 745 N ND2 . ASN A 1 92 ? 1.225 -16.305 11.280 1.00 76.80 92 A 1 ATOM 746 N N . GLY A 1 93 ? 0.276 -13.487 16.594 1.00 90.66 93 A 1 ATOM 747 C CA . GLY A 1 93 ? 0.668 -13.159 17.973 1.00 91.26 93 A 1 ATOM 748 C C . GLY A 1 93 ? 2.067 -12.545 18.126 1.00 92.86 93 A 1 ATOM 749 O O . GLY A 1 93 ? 2.596 -12.492 19.232 1.00 91.09 93 A 1 ATOM 750 N N . LYS A 1 94 ? 2.706 -12.110 17.028 1.00 91.46 94 A 1 ATOM 751 C CA . LYS A 1 94 ? 4.033 -11.474 17.043 1.00 92.21 94 A 1 ATOM 752 C C . LYS A 1 94 ? 3.998 -10.124 16.340 1.00 92.68 94 A 1 ATOM 753 O O . LYS A 1 94 ? 3.521 -10.029 15.215 1.00 91.89 94 A 1 ATOM 754 C CB . LYS A 1 94 ? 5.076 -12.388 16.382 1.00 91.73 94 A 1 ATOM 755 C CG . LYS A 1 94 ? 5.267 -13.695 17.159 1.00 86.87 94 A 1 ATOM 756 C CD . LYS A 1 94 ? 6.328 -14.576 16.492 1.00 82.62 94 A 1 ATOM 757 C CE . LYS A 1 94 ? 6.442 -15.882 17.277 1.00 76.07 94 A 1 ATOM 758 N NZ . LYS A 1 94 ? 7.413 -16.819 16.663 1.00 67.69 94 A 1 ATOM 759 N N . LEU A 1 95 ? 4.591 -9.109 16.966 1.00 92.13 95 A 1 ATOM 760 C CA . LEU A 1 95 ? 4.793 -7.809 16.335 1.00 92.10 95 A 1 ATOM 761 C C . LEU A 1 95 ? 5.877 -7.898 15.251 1.00 92.12 95 A 1 ATOM 762 O O . LEU A 1 95 ? 6.994 -8.354 15.512 1.00 91.81 95 A 1 ATOM 763 C CB . LEU A 1 95 ? 5.141 -6.751 17.396 1.00 91.98 95 A 1 ATOM 764 C CG . LEU A 1 95 ? 4.019 -6.460 18.410 1.00 87.61 95 A 1 ATOM 765 C CD1 . LEU A 1 95 ? 4.528 -5.464 19.452 1.00 84.01 95 A 1 ATOM 766 C CD2 . LEU A 1 95 ? 2.769 -5.869 17.755 1.00 85.49 95 A 1 ATOM 767 N N . LYS A 1 96 ? 5.552 -7.443 14.042 1.00 92.12 96 A 1 ATOM 768 C CA . LYS A 1 96 ? 6.470 -7.398 12.896 1.00 91.91 96 A 1 ATOM 769 C C . LYS A 1 96 ? 6.469 -6.015 12.247 1.00 92.05 96 A 1 ATOM 770 O O . LYS A 1 96 ? 5.414 -5.464 11.965 1.00 92.59 96 A 1 ATOM 771 C CB . LYS A 1 96 ? 6.083 -8.463 11.855 1.00 92.12 96 A 1 ATOM 772 C CG . LYS A 1 96 ? 6.173 -9.917 12.343 1.00 91.03 96 A 1 ATOM 773 C CD . LYS A 1 96 ? 5.857 -10.845 11.158 1.00 89.40 96 A 1 ATOM 774 C CE . LYS A 1 96 ? 5.822 -12.327 11.528 1.00 85.04 96 A 1 ATOM 775 N NZ . LYS A 1 96 ? 5.396 -13.143 10.366 1.00 77.24 96 A 1 ATOM 776 N N . ILE A 1 97 ? 7.665 -5.502 11.951 1.00 93.35 97 A 1 ATOM 777 C CA . ILE A 1 97 ? 7.865 -4.282 11.143 1.00 92.31 97 A 1 ATOM 778 C C . ILE A 1 97 ? 8.180 -4.588 9.675 1.00 92.94 97 A 1 ATOM 779 O O . ILE A 1 97 ? 8.219 -3.687 8.851 1.00 92.24 97 A 1 ATOM 780 C CB . ILE A 1 97 ? 8.965 -3.383 11.747 1.00 90.02 97 A 1 ATOM 781 C CG1 . ILE A 1 97 ? 10.321 -4.120 11.834 1.00 77.81 97 A 1 ATOM 782 C CG2 . ILE A 1 97 ? 8.514 -2.845 13.114 1.00 74.94 97 A 1 ATOM 783 C CD1 . ILE A 1 97 ? 11.496 -3.207 12.207 1.00 70.02 97 A 1 ATOM 784 N N . ARG A 1 98 ? 8.429 -5.857 9.347 1.00 93.07 98 A 1 ATOM 785 C CA . ARG A 1 98 ? 8.706 -6.351 7.992 1.00 93.33 98 A 1 ATOM 786 C C . ARG A 1 98 ? 7.751 -7.497 7.706 1.00 94.06 98 A 1 ATOM 787 O O . ARG A 1 98 ? 7.843 -8.541 8.366 1.00 93.11 98 A 1 ATOM 788 C CB . ARG A 1 98 ? 10.163 -6.806 7.831 1.00 92.54 98 A 1 ATOM 789 C CG . ARG A 1 98 ? 11.186 -5.730 8.205 1.00 86.30 98 A 1 ATOM 790 C CD . ARG A 1 98 ? 12.600 -6.118 7.748 1.00 82.72 98 A 1 ATOM 791 N NE . ARG A 1 98 ? 12.761 -5.882 6.304 1.00 74.20 98 A 1 ATOM 792 C CZ . ARG A 1 98 ? 13.816 -6.081 5.543 1.00 66.98 98 A 1 ATOM 793 N NH1 . ARG A 1 98 ? 14.900 -6.658 5.983 1.00 61.70 98 A 1 ATOM 794 N NH2 . ARG A 1 98 ? 13.782 -5.668 4.308 1.00 57.36 98 A 1 ATOM 795 N N . VAL A 1 99 ? 6.845 -7.313 6.753 1.00 93.21 99 A 1 ATOM 796 C CA . VAL A 1 99 ? 5.740 -8.244 6.480 1.00 93.30 99 A 1 ATOM 797 C C . VAL A 1 99 ? 5.590 -8.504 4.986 1.00 93.86 99 A 1 ATOM 798 O O . VAL A 1 99 ? 5.927 -7.651 4.167 1.00 94.68 99 A 1 ATOM 799 C CB . VAL A 1 99 ? 4.421 -7.728 7.078 1.00 93.84 99 A 1 ATOM 800 C CG1 . VAL A 1 99 ? 4.502 -7.683 8.608 1.00 90.45 99 A 1 ATOM 801 C CG2 . VAL A 1 99 ? 4.014 -6.344 6.555 1.00 90.16 99 A 1 ATOM 802 N N . THR A 1 100 ? 5.089 -9.682 4.619 1.00 94.52 100 A 1 ATOM 803 C CA . THR A 1 100 ? 4.702 -9.942 3.225 1.00 94.66 100 A 1 ATOM 804 C C . THR A 1 100 ? 3.450 -9.142 2.863 1.00 94.89 100 A 1 ATOM 805 O O . THR A 1 100 ? 2.739 -8.641 3.741 1.00 95.14 100 A 1 ATOM 806 C CB . THR A 1 100 ? 4.482 -11.438 2.948 1.00 94.79 100 A 1 ATOM 807 O OG1 . THR A 1 100 ? 3.365 -11.911 3.650 1.00 92.95 100 A 1 ATOM 808 C CG2 . THR A 1 100 ? 5.686 -12.297 3.337 1.00 91.93 100 A 1 ATOM 809 N N . VAL A 1 101 ? 3.151 -9.027 1.572 1.00 94.15 101 A 1 ATOM 810 C CA . VAL A 1 101 ? 1.895 -8.406 1.113 1.00 93.90 101 A 1 ATOM 811 C C . VAL A 1 101 ? 0.685 -9.132 1.701 1.00 93.91 101 A 1 ATOM 812 O O . VAL A 1 101 ? -0.231 -8.476 2.185 1.00 94.16 101 A 1 ATOM 813 C CB . VAL A 1 101 ? 1.821 -8.376 -0.424 1.00 93.81 101 A 1 ATOM 814 C CG1 . VAL A 1 101 ? 0.480 -7.832 -0.928 1.00 91.09 101 A 1 ATOM 815 C CG2 . VAL A 1 101 ? 2.925 -7.486 -1.003 1.00 91.21 101 A 1 ATOM 816 N N . ASP A 1 102 ? 0.703 -10.463 1.744 1.00 94.15 102 A 1 ATOM 817 C CA . ASP A 1 102 ? -0.404 -11.261 2.284 1.00 93.14 102 A 1 ATOM 818 C C . ASP A 1 102 ? -0.608 -11.031 3.785 1.00 93.55 102 A 1 ATOM 819 O O . ASP A 1 102 ? -1.742 -10.844 4.230 1.00 93.30 102 A 1 ATOM 820 C CB . ASP A 1 102 ? -0.162 -12.749 2.005 1.00 92.25 102 A 1 ATOM 821 C CG . ASP A 1 102 ? -0.217 -13.105 0.517 1.00 87.82 102 A 1 ATOM 822 O OD1 . ASP A 1 102 ? -0.801 -12.312 -0.261 1.00 83.73 102 A 1 ATOM 823 O OD2 . ASP A 1 102 ? 0.329 -14.172 0.177 1.00 83.05 102 A 1 ATOM 824 N N . GLU A 1 103 ? 0.470 -10.982 4.570 1.00 93.99 103 A 1 ATOM 825 C CA . GLU A 1 103 ? 0.416 -10.656 6.000 1.00 94.14 103 A 1 ATOM 826 C C . GLU A 1 103 ? -0.169 -9.252 6.226 1.00 94.42 103 A 1 ATOM 827 O O . GLU A 1 103 ? -1.033 -9.068 7.084 1.00 93.76 103 A 1 ATOM 828 C CB . GLU A 1 103 ? 1.825 -10.742 6.625 1.00 94.44 103 A 1 ATOM 829 C CG . GLU A 1 103 ? 2.347 -12.182 6.807 1.00 93.61 103 A 1 ATOM 830 C CD . GLU A 1 103 ? 3.788 -12.235 7.371 1.00 93.97 103 A 1 ATOM 831 O OE1 . GLU A 1 103 ? 4.101 -13.164 8.162 1.00 89.35 103 A 1 ATOM 832 O OE2 . GLU A 1 103 ? 4.623 -11.344 7.081 1.00 89.98 103 A 1 ATOM 833 N N . PHE A 1 104 ? 0.258 -8.275 5.423 1.00 93.67 104 A 1 ATOM 834 C CA . PHE A 1 104 ? -0.256 -6.909 5.493 1.00 93.46 104 A 1 ATOM 835 C C . PHE A 1 104 ? -1.735 -6.813 5.090 1.00 93.32 104 A 1 ATOM 836 O O . PHE A 1 104 ? -2.530 -6.145 5.752 1.00 93.21 104 A 1 ATOM 837 C CB . PHE A 1 104 ? 0.617 -6.015 4.603 1.00 94.18 104 A 1 ATOM 838 C CG . PHE A 1 104 ? 0.195 -4.560 4.616 1.00 94.60 104 A 1 ATOM 839 C CD1 . PHE A 1 104 ? -0.396 -3.977 3.479 1.00 91.94 104 A 1 ATOM 840 C CD2 . PHE A 1 104 ? 0.380 -3.790 5.779 1.00 92.20 104 A 1 ATOM 841 C CE1 . PHE A 1 104 ? -0.787 -2.627 3.505 1.00 90.74 104 A 1 ATOM 842 C CE2 . PHE A 1 104 ? -0.014 -2.441 5.807 1.00 91.01 104 A 1 ATOM 843 C CZ . PHE A 1 104 ? -0.595 -1.859 4.667 1.00 93.10 104 A 1 ATOM 844 N N . MET A 1 105 ? -2.136 -7.503 4.028 1.00 93.93 105 A 1 ATOM 845 C CA . MET A 1 105 ? -3.534 -7.534 3.582 1.00 92.99 105 A 1 ATOM 846 C C . MET A 1 105 ? -4.448 -8.273 4.572 1.00 92.63 105 A 1 ATOM 847 O O . MET A 1 105 ? -5.608 -7.884 4.722 1.00 92.59 105 A 1 ATOM 848 C CB . MET A 1 105 ? -3.619 -8.167 2.187 1.00 93.25 105 A 1 ATOM 849 C CG . MET A 1 105 ? -3.026 -7.273 1.083 1.00 91.86 105 A 1 ATOM 850 S SD . MET A 1 105 ? -3.739 -5.603 0.903 1.00 90.12 105 A 1 ATOM 851 C CE . MET A 1 105 ? -5.462 -6.013 0.527 1.00 82.18 105 A 1 ATOM 852 N N . ALA A 1 106 ? -3.945 -9.299 5.265 1.00 92.98 106 A 1 ATOM 853 C CA . ALA A 1 106 ? -4.680 -9.977 6.333 1.00 92.42 106 A 1 ATOM 854 C C . ALA A 1 106 ? -4.932 -9.052 7.538 1.00 92.19 106 A 1 ATOM 855 O O . ALA A 1 106 ? -6.039 -9.044 8.076 1.00 91.33 106 A 1 ATOM 856 C CB . ALA A 1 106 ? -3.907 -11.240 6.733 1.00 92.54 106 A 1 ATOM 857 N N . ASP A 1 107 ? -3.957 -8.232 7.913 1.00 92.71 107 A 1 ATOM 858 C CA . ASP A 1 107 ? -4.112 -7.233 8.983 1.00 91.99 107 A 1 ATOM 859 C C . ASP A 1 107 ? -5.163 -6.160 8.630 1.00 92.02 107 A 1 ATOM 860 O O . ASP A 1 107 ? -5.945 -5.731 9.479 1.00 91.42 107 A 1 ATOM 861 C CB . ASP A 1 107 ? -2.740 -6.611 9.258 1.00 92.02 107 A 1 ATOM 862 C CG . ASP A 1 107 ? -2.750 -5.703 10.487 1.00 89.81 107 A 1 ATOM 863 O OD1 . ASP A 1 107 ? -2.879 -6.242 11.603 1.00 84.98 107 A 1 ATOM 864 O OD2 . ASP A 1 107 ? -2.564 -4.483 10.300 1.00 84.51 107 A 1 ATOM 865 N N . LEU A 1 108 ? -5.271 -5.798 7.344 1.00 92.24 108 A 1 ATOM 866 C CA . LEU A 1 108 ? -6.289 -4.864 6.845 1.00 91.72 108 A 1 ATOM 867 C C . LEU A 1 108 ? -7.723 -5.419 6.830 1.00 91.82 108 A 1 ATOM 868 O O . LEU A 1 108 ? -8.644 -4.660 6.524 1.00 91.19 108 A 1 ATOM 869 C CB . LEU A 1 108 ? -5.906 -4.407 5.426 1.00 91.51 108 A 1 ATOM 870 C CG . LEU A 1 108 ? -4.736 -3.426 5.354 1.00 88.17 108 A 1 ATOM 871 C CD1 . LEU A 1 108 ? -4.290 -3.305 3.902 1.00 84.97 108 A 1 ATOM 872 C CD2 . LEU A 1 108 ? -5.149 -2.039 5.844 1.00 86.09 108 A 1 ATOM 873 N N . ALA A 1 109 ? -7.950 -6.705 7.104 1.00 92.19 109 A 1 ATOM 874 C CA . ALA A 1 109 ? -9.246 -7.358 6.882 1.00 90.91 109 A 1 ATOM 875 C C . ALA A 1 109 ? -10.425 -6.681 7.610 1.00 91.01 109 A 1 ATOM 876 O O . ALA A 1 109 ? -11.545 -6.691 7.106 1.00 88.90 109 A 1 ATOM 877 C CB . ALA A 1 109 ? -9.122 -8.824 7.296 1.00 90.11 109 A 1 ATOM 878 N N . ASN A 1 110 ? -10.170 -6.060 8.768 1.00 89.34 110 A 1 ATOM 879 C CA . ASN A 1 110 ? -11.183 -5.370 9.577 1.00 87.52 110 A 1 ATOM 880 C C . ASN A 1 110 ? -11.227 -3.850 9.345 1.00 88.85 110 A 1 ATOM 881 O O . ASN A 1 110 ? -11.928 -3.141 10.065 1.00 87.28 110 A 1 ATOM 882 C CB . ASN A 1 110 ? -10.950 -5.713 11.056 1.00 85.43 110 A 1 ATOM 883 C CG . ASN A 1 110 ? -11.107 -7.194 11.336 1.00 79.79 110 A 1 ATOM 884 O OD1 . ASN A 1 110 ? -11.990 -7.867 10.839 1.00 74.14 110 A 1 ATOM 885 N ND2 . ASN A 1 110 ? -10.250 -7.756 12.154 1.00 72.93 110 A 1 ATOM 886 N N . TRP A 1 111 ? -10.478 -3.327 8.373 1.00 89.13 111 A 1 ATOM 887 C CA . TRP A 1 111 ? -10.526 -1.902 8.064 1.00 90.42 111 A 1 ATOM 888 C C . TRP A 1 111 ? -11.859 -1.545 7.394 1.00 90.84 111 A 1 ATOM 889 O O . TRP A 1 111 ? -12.162 -2.008 6.297 1.00 91.34 111 A 1 ATOM 890 C CB . TRP A 1 111 ? -9.328 -1.517 7.194 1.00 90.90 111 A 1 ATOM 891 C CG . TRP A 1 111 ? -9.267 -0.074 6.798 1.00 90.13 111 A 1 ATOM 892 C CD1 . TRP A 1 111 ? -9.693 0.976 7.542 1.00 87.91 111 A 1 ATOM 893 C CD2 . TRP A 1 111 ? -8.759 0.494 5.560 1.00 90.29 111 A 1 ATOM 894 N NE1 . TRP A 1 111 ? -9.481 2.153 6.847 1.00 84.25 111 A 1 ATOM 895 C CE2 . TRP A 1 111 ? -8.897 1.914 5.624 1.00 87.69 111 A 1 ATOM 896 C CE3 . TRP A 1 111 ? -8.183 -0.044 4.392 1.00 84.85 111 A 1 ATOM 897 C CZ2 . TRP A 1 111 ? -8.482 2.753 4.583 1.00 85.94 111 A 1 ATOM 898 C CZ3 . TRP A 1 111 ? -7.759 0.789 3.345 1.00 84.73 111 A 1 ATOM 899 C CH2 . TRP A 1 111 ? -7.906 2.183 3.440 1.00 83.29 111 A 1 ATOM 900 N N . GLU A 1 112 ? -12.639 -0.668 8.039 1.00 91.13 112 A 1 ATOM 901 C CA . GLU A 1 112 ? -14.003 -0.297 7.623 1.00 90.99 112 A 1 ATOM 902 C C . GLU A 1 112 ? -14.104 0.225 6.180 1.00 91.57 112 A 1 ATOM 903 O O . GLU A 1 112 ? -15.112 0.024 5.514 1.00 90.28 112 A 1 ATOM 904 C CB . GLU A 1 112 ? -14.578 0.728 8.616 1.00 90.29 112 A 1 ATOM 905 C CG . GLU A 1 112 ? -13.833 2.071 8.612 1.00 79.59 112 A 1 ATOM 906 C CD . GLU A 1 112 ? -14.378 3.103 9.618 1.00 75.07 112 A 1 ATOM 907 O OE1 . GLU A 1 112 ? -13.727 4.169 9.737 1.00 67.47 112 A 1 ATOM 908 O OE2 . GLU A 1 112 ? -15.428 2.840 10.234 1.00 70.20 112 A 1 ATOM 909 N N . HIS A 1 113 ? -13.045 0.847 5.668 1.00 92.39 113 A 1 ATOM 910 C CA . HIS A 1 113 ? -13.017 1.386 4.307 1.00 91.82 113 A 1 ATOM 911 C C . HIS A 1 113 ? -12.447 0.421 3.259 1.00 93.45 113 A 1 ATOM 912 O O . HIS A 1 113 ? -12.310 0.812 2.095 1.00 93.12 113 A 1 ATOM 913 C CB . HIS A 1 113 ? -12.256 2.712 4.309 1.00 90.57 113 A 1 ATOM 914 C CG . HIS A 1 113 ? -12.817 3.741 5.254 1.00 88.90 113 A 1 ATOM 915 N ND1 . HIS A 1 113 ? -14.142 4.053 5.447 1.00 80.08 113 A 1 ATOM 916 C CD2 . HIS A 1 113 ? -12.093 4.552 6.083 1.00 79.94 113 A 1 ATOM 917 C CE1 . HIS A 1 113 ? -14.211 5.016 6.377 1.00 80.71 113 A 1 ATOM 918 N NE2 . HIS A 1 113 ? -12.982 5.367 6.778 1.00 81.94 113 A 1 ATOM 919 N N . LEU A 1 114 ? -12.077 -0.805 3.636 1.00 91.49 114 A 1 ATOM 920 C CA . LEU A 1 114 ? -11.351 -1.729 2.754 1.00 92.48 114 A 1 ATOM 921 C C . LEU A 1 114 ? -12.100 -1.987 1.439 1.00 93.23 114 A 1 ATOM 922 O O . LEU A 1 114 ? -11.515 -1.856 0.361 1.00 94.19 114 A 1 ATOM 923 C CB . LEU A 1 114 ? -11.081 -3.040 3.517 1.00 93.06 114 A 1 ATOM 924 C CG . LEU A 1 114 ? -10.365 -4.121 2.689 1.00 91.96 114 A 1 ATOM 925 C CD1 . LEU A 1 114 ? -9.000 -3.648 2.176 1.00 89.20 114 A 1 ATOM 926 C CD2 . LEU A 1 114 ? -10.153 -5.370 3.539 1.00 89.74 114 A 1 ATOM 927 N N . GLU A 1 115 ? -13.385 -2.323 1.525 1.00 92.82 115 A 1 ATOM 928 C CA . GLU A 1 115 ? -14.190 -2.657 0.346 1.00 92.87 115 A 1 ATOM 929 C C . GLU A 1 115 ? -14.452 -1.438 -0.550 1.00 93.92 115 A 1 ATOM 930 O O . GLU A 1 115 ? -14.355 -1.549 -1.773 1.00 94.11 115 A 1 ATOM 931 C CB . GLU A 1 115 ? -15.487 -3.356 0.780 1.00 92.89 115 A 1 ATOM 932 C CG . GLU A 1 115 ? -15.224 -4.729 1.433 1.00 86.31 115 A 1 ATOM 933 C CD . GLU A 1 115 ? -14.362 -5.649 0.540 1.00 79.95 115 A 1 ATOM 934 O OE1 . GLU A 1 115 ? -13.299 -6.153 0.997 1.00 72.49 115 A 1 ATOM 935 O OE2 . GLU A 1 115 ? -14.689 -5.796 -0.654 1.00 74.28 115 A 1 ATOM 936 N N . ASP A 1 116 ? -14.656 -0.255 0.030 1.00 93.00 116 A 1 ATOM 937 C CA . ASP A 1 116 ? -14.801 0.989 -0.737 1.00 92.67 116 A 1 ATOM 938 C C . ASP A 1 116 ? -13.520 1.335 -1.506 1.00 93.99 116 A 1 ATOM 939 O O . ASP A 1 116 ? -13.571 1.713 -2.682 1.00 94.40 116 A 1 ATOM 940 C CB . ASP A 1 116 ? -15.159 2.147 0.203 1.00 91.98 116 A 1 ATOM 941 C CG . ASP A 1 116 ? -16.584 2.079 0.760 1.00 87.08 116 A 1 ATOM 942 O OD1 . ASP A 1 116 ? -17.433 1.399 0.135 1.00 82.65 116 A 1 ATOM 943 O OD2 . ASP A 1 116 ? -16.816 2.780 1.768 1.00 82.59 116 A 1 ATOM 944 N N . ILE A 1 117 ? -12.358 1.164 -0.866 1.00 91.49 117 A 1 ATOM 945 C CA . ILE A 1 117 ? -11.060 1.393 -1.508 1.00 91.60 117 A 1 ATOM 946 C C . ILE A 1 117 ? -10.804 0.370 -2.618 1.00 92.16 117 A 1 ATOM 947 O O . ILE A 1 117 ? -10.387 0.765 -3.706 1.00 94.07 117 A 1 ATOM 948 C CB . ILE A 1 117 ? -9.926 1.422 -0.459 1.00 92.77 117 A 1 ATOM 949 C CG1 . ILE A 1 117 ? -10.054 2.624 0.505 1.00 91.57 117 A 1 ATOM 950 C CG2 . ILE A 1 117 ? -8.536 1.442 -1.118 1.00 92.04 117 A 1 ATOM 951 C CD1 . ILE A 1 117 ? -9.949 4.015 -0.133 1.00 86.86 117 A 1 ATOM 952 N N . LYS A 1 118 ? -11.092 -0.920 -2.390 1.00 92.30 118 A 1 ATOM 953 C CA . LYS A 1 118 ? -10.978 -1.958 -3.428 1.00 91.64 118 A 1 ATOM 954 C C . LYS A 1 118 ? -11.877 -1.667 -4.627 1.00 92.44 118 A 1 ATOM 955 O O . LYS A 1 118 ? -11.439 -1.795 -5.770 1.00 94.63 118 A 1 ATOM 956 C CB . LYS A 1 118 ? -11.363 -3.325 -2.855 1.00 93.21 118 A 1 ATOM 957 C CG . LYS A 1 118 ? -10.285 -3.964 -1.970 1.00 93.22 118 A 1 ATOM 958 C CD . LYS A 1 118 ? -10.881 -5.254 -1.398 1.00 91.12 118 A 1 ATOM 959 C CE . LYS A 1 118 ? -9.942 -6.005 -0.465 1.00 87.54 118 A 1 ATOM 960 N NZ . LYS A 1 118 ? -10.709 -7.047 0.262 1.00 79.73 118 A 1 ATOM 961 N N . LYS A 1 119 ? -13.128 -1.269 -4.379 1.00 93.77 119 A 1 ATOM 962 C CA . LYS A 1 119 ? -14.070 -0.901 -5.436 1.00 93.51 119 A 1 ATOM 963 C C . LYS A 1 119 ? -13.540 0.272 -6.252 1.00 94.53 119 A 1 ATOM 964 O O . LYS A 1 119 ? -13.472 0.183 -7.475 1.00 95.04 119 A 1 ATOM 965 C CB . LYS A 1 119 ? -15.433 -0.596 -4.809 1.00 93.95 119 A 1 ATOM 966 C CG . LYS A 1 119 ? -16.475 -0.262 -5.882 1.00 83.75 119 A 1 ATOM 967 C CD . LYS A 1 119 ? -17.816 0.064 -5.225 1.00 81.68 119 A 1 ATOM 968 C CE . LYS A 1 119 ? -18.798 0.505 -6.305 1.00 73.29 119 A 1 ATOM 969 N NZ . LYS A 1 119 ? -20.086 0.920 -5.699 1.00 65.51 119 A 1 ATOM 970 N N . LEU A 1 120 ? -13.108 1.336 -5.590 1.00 93.09 120 A 1 ATOM 971 C CA . LEU A 1 120 ? -12.574 2.520 -6.258 1.00 91.90 120 A 1 ATOM 972 C C . LEU A 1 120 ? -11.280 2.225 -7.033 1.00 92.95 120 A 1 ATOM 973 O O . LEU A 1 120 ? -11.086 2.758 -8.123 1.00 94.65 120 A 1 ATOM 974 C CB . LEU A 1 120 ? -12.378 3.609 -5.197 1.00 92.75 120 A 1 ATOM 975 C CG . LEU A 1 120 ? -11.871 4.947 -5.758 1.00 85.08 120 A 1 ATOM 976 C CD1 . LEU A 1 120 ? -12.781 5.526 -6.839 1.00 81.02 120 A 1 ATOM 977 C CD2 . LEU A 1 120 ? -11.796 5.954 -4.612 1.00 84.63 120 A 1 ATOM 978 N N . ALA A 1 121 ? -10.411 1.369 -6.500 1.00 92.22 121 A 1 ATOM 979 C CA . ALA A 1 121 ? -9.207 0.931 -7.201 1.00 91.28 121 A 1 ATOM 980 C C . ALA A 1 121 ? -9.551 0.180 -8.498 1.00 91.22 121 A 1 ATOM 981 O O . ALA A 1 121 ? -8.982 0.493 -9.540 1.00 92.95 121 A 1 ATOM 982 C CB . ALA A 1 121 ? -8.360 0.087 -6.247 1.00 92.80 121 A 1 ATOM 983 N N . LYS A 1 122 ? -10.537 -0.725 -8.465 1.00 94.19 122 A 1 ATOM 984 C CA . LYS A 1 122 ? -11.037 -1.437 -9.655 1.00 92.69 122 A 1 ATOM 985 C C . LYS A 1 122 ? -11.670 -0.509 -10.695 1.00 93.02 122 A 1 ATOM 986 O O . LYS A 1 122 ? -11.495 -0.731 -11.880 1.00 93.21 122 A 1 ATOM 987 C CB . LYS A 1 122 ? -12.056 -2.508 -9.246 1.00 93.14 122 A 1 ATOM 988 C CG . LYS A 1 122 ? -11.393 -3.704 -8.556 1.00 84.14 122 A 1 ATOM 989 C CD . LYS A 1 122 ? -12.462 -4.708 -8.112 1.00 78.46 122 A 1 ATOM 990 C CE . LYS A 1 122 ? -11.790 -5.893 -7.417 1.00 71.63 122 A 1 ATOM 991 N NZ . LYS A 1 122 ? -12.781 -6.915 -6.999 1.00 62.22 122 A 1 ATOM 992 N N . GLU A 1 123 ? -12.380 0.528 -10.269 1.00 92.67 123 A 1 ATOM 993 C CA . GLU A 1 123 ? -12.944 1.535 -11.191 1.00 92.33 123 A 1 ATOM 994 C C . GLU A 1 123 ? -11.865 2.375 -11.905 1.00 92.50 123 A 1 ATOM 995 O O . GLU A 1 123 ? -12.153 3.023 -12.916 1.00 91.87 123 A 1 ATOM 996 C CB . GLU A 1 123 ? -13.852 2.507 -10.418 1.00 93.44 123 A 1 ATOM 997 C CG . GLU A 1 123 ? -15.190 1.915 -9.958 1.00 86.73 123 A 1 ATOM 998 C CD . GLU A 1 123 ? -16.002 2.908 -9.098 1.00 84.42 123 A 1 ATOM 999 O OE1 . GLU A 1 123 ? -16.986 2.464 -8.462 1.00 76.31 123 A 1 ATOM 1000 O OE2 . GLU A 1 123 ? -15.671 4.125 -9.086 1.00 79.69 123 A 1 ATOM 1001 N N . LEU A 1 124 ? -10.658 2.434 -11.345 1.00 93.15 124 A 1 ATOM 1002 C CA . LEU A 1 124 ? -9.537 3.220 -11.857 1.00 91.64 124 A 1 ATOM 1003 C C . LEU A 1 124 ? -8.466 2.368 -12.554 1.00 91.30 124 A 1 ATOM 1004 O O . LEU A 1 124 ? -7.582 2.953 -13.182 1.00 91.35 124 A 1 ATOM 1005 C CB . LEU A 1 124 ? -8.923 4.023 -10.694 1.00 93.11 124 A 1 ATOM 1006 C CG . LEU A 1 124 ? -9.835 5.116 -10.099 1.00 91.88 124 A 1 ATOM 1007 C CD1 . LEU A 1 124 ? -9.141 5.728 -8.877 1.00 89.13 124 A 1 ATOM 1008 C CD2 . LEU A 1 124 ? -10.125 6.243 -11.087 1.00 90.96 124 A 1 ATOM 1009 N N . ALA A 1 125 ? -8.526 1.037 -12.402 1.00 93.95 125 A 1 ATOM 1010 C CA . ALA A 1 125 ? -7.583 0.092 -13.015 1.00 92.44 125 A 1 ATOM 1011 C C . ALA A 1 125 ? -7.720 0.097 -14.538 1.00 87.20 125 A 1 ATOM 1012 O O . ALA A 1 125 ? -6.659 0.103 -15.211 1.00 81.91 125 A 1 ATOM 1013 C CB . ALA A 1 125 ? -7.828 -1.298 -12.411 1.00 90.44 125 A 1 ATOM 1014 O OXT . ALA A 1 125 ? -8.867 0.077 -15.007 1.00 79.04 125 A 1 #