data_ma-t3vr3-543 _entry.id ma-t3vr3-543 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-543 _struct.pdbx_model_details ;Predicted interaction between Breast cancer type 1 susceptibility protein (residue 909 - 1108) and DNA topoisomerase 2-binding protein 1 (residue 550 - 744). Model generated using AlphaFold2 with a 200 residue separation between the chains starting from a paired Multiple Sequence Alignment(pMSA). ; _struct.pdbx_structure_determination_methodology computational _struct.title 'Predicted interaction between BRCA1 (909-1108) and TOPBP1 (550-744)' _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/ba728c4/archive/mmcif_ma-v1.4.5.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Computed cancer interactome explains the effects of somatic mutations in cancers.' 'Protein Sci' 31 e4479 . 2022 36261849 10.1002/pro.4479 2 'Highly accurate protein structure prediction with AlphaFold.' Nature 596 583 589 2021 34265844 10.1038/s41586-021-03819-2 loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Zhang, J.' 1 primary 'Pei, J.' 2 primary 'Durham, J.' 3 primary 'Bos, T.' 4 primary 'Cong, Q.' 5 2 'Jumper, J.' 6 2 'Evans, R.' 7 2 'Pritzel, A.' 8 2 'Green, T.' 9 2 'Figurnov, M.' 10 2 'Ronneberger, O.' 11 2 'Tunyasuvunakool, K.' 12 2 'Bates, R.' 13 2 'Zidek, A.' 14 2 'Potapenko, A.' 15 2 'Bridgland, A.' 16 2 'Meyer, C.' 17 2 'Kohl, S.A.A.' 18 2 'Ballard, A.J.' 19 2 'Cowie, A.' 20 2 'Romera-Paredes, B.' 21 2 'Nikolov, S.' 22 2 'Jain, R.' 23 2 'Adler, J.' 24 2 'Back, T.' 25 2 'Petersen, S.' 26 2 'Reiman, D.' 27 2 'Clancy, E.' 28 2 'Zielinski, M.' 29 2 'Steinegger, M.' 30 2 'Pacholska, M.' 31 2 'Berghammer, T.' 32 2 'Bodenstein, S.' 33 2 'Silver, D.' 34 2 'Vinyals, O.' 35 2 'Senior, A.W.' 36 2 'Kavukcuoglu, K.' 37 2 'Kohli, P.' 38 2 'Hassabis, D.' 39 loop_ _software.pdbx_ordinal _software.name _software.classification _software.description _software.version _software.type _software.location _software.citation_id 1 AlphaFold 'model building' 'Structure prediction' 2.0.0 package https://github.com/deepmind/alphafold 2 loop_ _ma_software_group.ordinal_id _ma_software_group.group_id _ma_software_group.software_id _ma_software_group.parameter_group_id 1 1 1 . loop_ _audit_author.name _audit_author.pdbx_ordinal 'Zhang, J.' 1 'Pei, J.' 2 'Durham, J.' 3 'Bos, T.' 4 'Cong, Q.' 5 loop_ _chem_comp.id _chem_comp.type _chem_comp.name _chem_comp.formula _chem_comp.formula_weight _chem_comp.ma_provenance ALA 'L-peptide linking' ALANINE 'C3 H7 N O2' 89.094 'CCD Core' ARG 'L-peptide linking' ARGININE 'C6 H15 N4 O2 1' 175.212 'CCD Core' ASN 'L-peptide linking' ASPARAGINE 'C4 H8 N2 O3' 132.119 'CCD Core' ASP 'L-peptide linking' 'ASPARTIC ACID' 'C4 H7 N O4' 133.103 'CCD Core' CYS 'L-peptide linking' CYSTEINE 'C3 H7 N O2 S' 121.154 'CCD Core' GLN 'L-peptide linking' GLUTAMINE 'C5 H10 N2 O3' 146.146 'CCD Core' GLU 'L-peptide linking' 'GLUTAMIC ACID' 'C5 H9 N O4' 147.130 'CCD Core' GLY 'peptide linking' GLYCINE 'C2 H5 N O2' 75.067 'CCD Core' HIS 'L-peptide linking' HISTIDINE 'C6 H10 N3 O2 1' 156.165 'CCD Core' ILE 'L-peptide linking' ISOLEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LEU 'L-peptide linking' LEUCINE 'C6 H13 N O2' 131.175 'CCD Core' LYS 'L-peptide linking' LYSINE 'C6 H15 N2 O2 1' 147.198 'CCD Core' MET 'L-peptide linking' METHIONINE 'C5 H11 N O2 S' 149.208 'CCD Core' PHE 'L-peptide linking' PHENYLALANINE 'C9 H11 N O2' 165.192 'CCD Core' PRO 'L-peptide linking' PROLINE 'C5 H9 N O2' 115.132 'CCD Core' SER 'L-peptide linking' SERINE 'C3 H7 N O3' 105.093 'CCD Core' THR 'L-peptide linking' THREONINE 'C4 H9 N O3' 119.120 'CCD Core' TRP 'L-peptide linking' TRYPTOPHAN 'C11 H12 N2 O2' 204.229 'CCD Core' TYR 'L-peptide linking' TYROSINE 'C9 H11 N O3' 181.191 'CCD Core' VAL 'L-peptide linking' VALINE 'C5 H11 N O2' 117.148 'CCD Core' loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.details 1 polymer nat 'Homo sapiens (Human) BRCA1 (P38398; 909 - 1108)' 25577.988 1 . 2 polymer nat 'Homo sapiens (Human) TOPBP1 (Q92547; 550 - 744)' 24906.683 1 . loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.pdbx_organism_scientific _entity_src_nat.common_name _entity_src_nat.strain 1 1 9606 'Homo sapiens (Human)' . . 2 2 9606 'Homo sapiens (Human)' . . loop_ _ma_target_ref_db_details.target_entity_id _ma_target_ref_db_details.db_name _ma_target_ref_db_details.db_name_other_details _ma_target_ref_db_details.db_code _ma_target_ref_db_details.db_accession _ma_target_ref_db_details.seq_db_isoform _ma_target_ref_db_details.seq_db_align_begin _ma_target_ref_db_details.seq_db_align_end _ma_target_ref_db_details.ncbi_taxonomy_id _ma_target_ref_db_details.organism_scientific _ma_target_ref_db_details.seq_db_sequence_version_date _ma_target_ref_db_details.seq_db_sequence_checksum 1 UNP . BRCA1_HUMAN P38398 . 909 1108 9606 'Homo sapiens (Human)' 1995-02-01 89C6D83FF56312AF 2 UNP . TOPB1_HUMAN Q92547 . 550 744 9606 'Homo sapiens (Human)' 2010-05-18 02C25880EDCD6AC7 loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can 1 polypeptide(L) no no A ;NQGKNESNIKPVQTVNITAGFPVVGQKDKPVDNAKCSIKGGSRFCLSSQFRGNETGLITPNKHGLLQNPY RIPPLFPIKSFVKTKCKKNLLEENFEEHSMSPEREMGNENIPSTVSTISRNNIRENVFKEASSSNINEVG SSTNEVGSSINEIGSSDENIQAELGRNRGPKLNAMLRLGVLQPEVYKQSLPGSNCKHPEI ; ;NQGKNESNIKPVQTVNITAGFPVVGQKDKPVDNAKCSIKGGSRFCLSSQFRGNETGLITPNKHGLLQNPY RIPPLFPIKSFVKTKCKKNLLEENFEEHSMSPEREMGNENIPSTVSTISRNNIRENVFKEASSSNINEVG SSTNEVGSSINEIGSSDENIQAELGRNRGPKLNAMLRLGVLQPEVYKQSLPGSNCKHPEI ; 2 polypeptide(L) no no B ;EGLFSQKSFLVLGFSNENESNIANIIKENAGKIMSLLSRTVADYAVVPLLGCEVEATVGEVVTNTWLVTC IDYQTLFDPKSNPLFTPVPVMTGMTPLEDCVISFSQCAGAEKESLTFLANLLGASVQEYFVRKSNAKKGM FASTHLILKERGGSKYEAAKKWNLPAVTIAWLLETARTGKRADESHFLIENSTKE ; ;EGLFSQKSFLVLGFSNENESNIANIIKENAGKIMSLLSRTVADYAVVPLLGCEVEATVGEVVTNTWLVTC IDYQTLFDPKSNPLFTPVPVMTGMTPLEDCVISFSQCAGAEKESLTFLANLLGASVQEYFVRKSNAKKGM FASTHLILKERGGSKYEAAKKWNLPAVTIAWLLETARTGKRADESHFLIENSTKE ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ASN . 1 2 GLN . 1 3 GLY . 1 4 LYS . 1 5 ASN . 1 6 GLU . 1 7 SER . 1 8 ASN . 1 9 ILE . 1 10 LYS . 1 11 PRO . 1 12 VAL . 1 13 GLN . 1 14 THR . 1 15 VAL . 1 16 ASN . 1 17 ILE . 1 18 THR . 1 19 ALA . 1 20 GLY . 1 21 PHE . 1 22 PRO . 1 23 VAL . 1 24 VAL . 1 25 GLY . 1 26 GLN . 1 27 LYS . 1 28 ASP . 1 29 LYS . 1 30 PRO . 1 31 VAL . 1 32 ASP . 1 33 ASN . 1 34 ALA . 1 35 LYS . 1 36 CYS . 1 37 SER . 1 38 ILE . 1 39 LYS . 1 40 GLY . 1 41 GLY . 1 42 SER . 1 43 ARG . 1 44 PHE . 1 45 CYS . 1 46 LEU . 1 47 SER . 1 48 SER . 1 49 GLN . 1 50 PHE . 1 51 ARG . 1 52 GLY . 1 53 ASN . 1 54 GLU . 1 55 THR . 1 56 GLY . 1 57 LEU . 1 58 ILE . 1 59 THR . 1 60 PRO . 1 61 ASN . 1 62 LYS . 1 63 HIS . 1 64 GLY . 1 65 LEU . 1 66 LEU . 1 67 GLN . 1 68 ASN . 1 69 PRO . 1 70 TYR . 1 71 ARG . 1 72 ILE . 1 73 PRO . 1 74 PRO . 1 75 LEU . 1 76 PHE . 1 77 PRO . 1 78 ILE . 1 79 LYS . 1 80 SER . 1 81 PHE . 1 82 VAL . 1 83 LYS . 1 84 THR . 1 85 LYS . 1 86 CYS . 1 87 LYS . 1 88 LYS . 1 89 ASN . 1 90 LEU . 1 91 LEU . 1 92 GLU . 1 93 GLU . 1 94 ASN . 1 95 PHE . 1 96 GLU . 1 97 GLU . 1 98 HIS . 1 99 SER . 1 100 MET . 1 101 SER . 1 102 PRO . 1 103 GLU . 1 104 ARG . 1 105 GLU . 1 106 MET . 1 107 GLY . 1 108 ASN . 1 109 GLU . 1 110 ASN . 1 111 ILE . 1 112 PRO . 1 113 SER . 1 114 THR . 1 115 VAL . 1 116 SER . 1 117 THR . 1 118 ILE . 1 119 SER . 1 120 ARG . 1 121 ASN . 1 122 ASN . 1 123 ILE . 1 124 ARG . 1 125 GLU . 1 126 ASN . 1 127 VAL . 1 128 PHE . 1 129 LYS . 1 130 GLU . 1 131 ALA . 1 132 SER . 1 133 SER . 1 134 SER . 1 135 ASN . 1 136 ILE . 1 137 ASN . 1 138 GLU . 1 139 VAL . 1 140 GLY . 1 141 SER . 1 142 SER . 1 143 THR . 1 144 ASN . 1 145 GLU . 1 146 VAL . 1 147 GLY . 1 148 SER . 1 149 SER . 1 150 ILE . 1 151 ASN . 1 152 GLU . 1 153 ILE . 1 154 GLY . 1 155 SER . 1 156 SER . 1 157 ASP . 1 158 GLU . 1 159 ASN . 1 160 ILE . 1 161 GLN . 1 162 ALA . 1 163 GLU . 1 164 LEU . 1 165 GLY . 1 166 ARG . 1 167 ASN . 1 168 ARG . 1 169 GLY . 1 170 PRO . 1 171 LYS . 1 172 LEU . 1 173 ASN . 1 174 ALA . 1 175 MET . 1 176 LEU . 1 177 ARG . 1 178 LEU . 1 179 GLY . 1 180 VAL . 1 181 LEU . 1 182 GLN . 1 183 PRO . 1 184 GLU . 1 185 VAL . 1 186 TYR . 1 187 LYS . 1 188 GLN . 1 189 SER . 1 190 LEU . 1 191 PRO . 1 192 GLY . 1 193 SER . 1 194 ASN . 1 195 CYS . 1 196 LYS . 1 197 HIS . 1 198 PRO . 1 199 GLU . 1 200 ILE . 2 1 GLU . 2 2 GLY . 2 3 LEU . 2 4 PHE . 2 5 SER . 2 6 GLN . 2 7 LYS . 2 8 SER . 2 9 PHE . 2 10 LEU . 2 11 VAL . 2 12 LEU . 2 13 GLY . 2 14 PHE . 2 15 SER . 2 16 ASN . 2 17 GLU . 2 18 ASN . 2 19 GLU . 2 20 SER . 2 21 ASN . 2 22 ILE . 2 23 ALA . 2 24 ASN . 2 25 ILE . 2 26 ILE . 2 27 LYS . 2 28 GLU . 2 29 ASN . 2 30 ALA . 2 31 GLY . 2 32 LYS . 2 33 ILE . 2 34 MET . 2 35 SER . 2 36 LEU . 2 37 LEU . 2 38 SER . 2 39 ARG . 2 40 THR . 2 41 VAL . 2 42 ALA . 2 43 ASP . 2 44 TYR . 2 45 ALA . 2 46 VAL . 2 47 VAL . 2 48 PRO . 2 49 LEU . 2 50 LEU . 2 51 GLY . 2 52 CYS . 2 53 GLU . 2 54 VAL . 2 55 GLU . 2 56 ALA . 2 57 THR . 2 58 VAL . 2 59 GLY . 2 60 GLU . 2 61 VAL . 2 62 VAL . 2 63 THR . 2 64 ASN . 2 65 THR . 2 66 TRP . 2 67 LEU . 2 68 VAL . 2 69 THR . 2 70 CYS . 2 71 ILE . 2 72 ASP . 2 73 TYR . 2 74 GLN . 2 75 THR . 2 76 LEU . 2 77 PHE . 2 78 ASP . 2 79 PRO . 2 80 LYS . 2 81 SER . 2 82 ASN . 2 83 PRO . 2 84 LEU . 2 85 PHE . 2 86 THR . 2 87 PRO . 2 88 VAL . 2 89 PRO . 2 90 VAL . 2 91 MET . 2 92 THR . 2 93 GLY . 2 94 MET . 2 95 THR . 2 96 PRO . 2 97 LEU . 2 98 GLU . 2 99 ASP . 2 100 CYS . 2 101 VAL . 2 102 ILE . 2 103 SER . 2 104 PHE . 2 105 SER . 2 106 GLN . 2 107 CYS . 2 108 ALA . 2 109 GLY . 2 110 ALA . 2 111 GLU . 2 112 LYS . 2 113 GLU . 2 114 SER . 2 115 LEU . 2 116 THR . 2 117 PHE . 2 118 LEU . 2 119 ALA . 2 120 ASN . 2 121 LEU . 2 122 LEU . 2 123 GLY . 2 124 ALA . 2 125 SER . 2 126 VAL . 2 127 GLN . 2 128 GLU . 2 129 TYR . 2 130 PHE . 2 131 VAL . 2 132 ARG . 2 133 LYS . 2 134 SER . 2 135 ASN . 2 136 ALA . 2 137 LYS . 2 138 LYS . 2 139 GLY . 2 140 MET . 2 141 PHE . 2 142 ALA . 2 143 SER . 2 144 THR . 2 145 HIS . 2 146 LEU . 2 147 ILE . 2 148 LEU . 2 149 LYS . 2 150 GLU . 2 151 ARG . 2 152 GLY . 2 153 GLY . 2 154 SER . 2 155 LYS . 2 156 TYR . 2 157 GLU . 2 158 ALA . 2 159 ALA . 2 160 LYS . 2 161 LYS . 2 162 TRP . 2 163 ASN . 2 164 LEU . 2 165 PRO . 2 166 ALA . 2 167 VAL . 2 168 THR . 2 169 ILE . 2 170 ALA . 2 171 TRP . 2 172 LEU . 2 173 LEU . 2 174 GLU . 2 175 THR . 2 176 ALA . 2 177 ARG . 2 178 THR . 2 179 GLY . 2 180 LYS . 2 181 ARG . 2 182 ALA . 2 183 ASP . 2 184 GLU . 2 185 SER . 2 186 HIS . 2 187 PHE . 2 188 LEU . 2 189 ILE . 2 190 GLU . 2 191 ASN . 2 192 SER . 2 193 THR . 2 194 LYS . 2 195 GLU . loop_ _struct_asym.id _struct_asym.entity_id _struct_asym.details A 1 . B 2 . loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code A 1 1 ASN 909 909 ASN ASN A . A 1 2 GLN 910 910 GLN GLN A . A 1 3 GLY 911 911 GLY GLY A . A 1 4 LYS 912 912 LYS LYS A . A 1 5 ASN 913 913 ASN ASN A . A 1 6 GLU 914 914 GLU GLU A . A 1 7 SER 915 915 SER SER A . A 1 8 ASN 916 916 ASN ASN A . A 1 9 ILE 917 917 ILE ILE A . A 1 10 LYS 918 918 LYS LYS A . A 1 11 PRO 919 919 PRO PRO A . A 1 12 VAL 920 920 VAL VAL A . A 1 13 GLN 921 921 GLN GLN A . A 1 14 THR 922 922 THR THR A . A 1 15 VAL 923 923 VAL VAL A . A 1 16 ASN 924 924 ASN ASN A . A 1 17 ILE 925 925 ILE ILE A . A 1 18 THR 926 926 THR THR A . A 1 19 ALA 927 927 ALA ALA A . A 1 20 GLY 928 928 GLY GLY A . A 1 21 PHE 929 929 PHE PHE A . A 1 22 PRO 930 930 PRO PRO A . A 1 23 VAL 931 931 VAL VAL A . A 1 24 VAL 932 932 VAL VAL A . A 1 25 GLY 933 933 GLY GLY A . A 1 26 GLN 934 934 GLN GLN A . A 1 27 LYS 935 935 LYS LYS A . A 1 28 ASP 936 936 ASP ASP A . A 1 29 LYS 937 937 LYS LYS A . A 1 30 PRO 938 938 PRO PRO A . A 1 31 VAL 939 939 VAL VAL A . A 1 32 ASP 940 940 ASP ASP A . A 1 33 ASN 941 941 ASN ASN A . A 1 34 ALA 942 942 ALA ALA A . A 1 35 LYS 943 943 LYS LYS A . A 1 36 CYS 944 944 CYS CYS A . A 1 37 SER 945 945 SER SER A . A 1 38 ILE 946 946 ILE ILE A . A 1 39 LYS 947 947 LYS LYS A . A 1 40 GLY 948 948 GLY GLY A . A 1 41 GLY 949 949 GLY GLY A . A 1 42 SER 950 950 SER SER A . A 1 43 ARG 951 951 ARG ARG A . A 1 44 PHE 952 952 PHE PHE A . A 1 45 CYS 953 953 CYS CYS A . A 1 46 LEU 954 954 LEU LEU A . A 1 47 SER 955 955 SER SER A . A 1 48 SER 956 956 SER SER A . A 1 49 GLN 957 957 GLN GLN A . A 1 50 PHE 958 958 PHE PHE A . A 1 51 ARG 959 959 ARG ARG A . A 1 52 GLY 960 960 GLY GLY A . A 1 53 ASN 961 961 ASN ASN A . A 1 54 GLU 962 962 GLU GLU A . A 1 55 THR 963 963 THR THR A . A 1 56 GLY 964 964 GLY GLY A . A 1 57 LEU 965 965 LEU LEU A . A 1 58 ILE 966 966 ILE ILE A . A 1 59 THR 967 967 THR THR A . A 1 60 PRO 968 968 PRO PRO A . A 1 61 ASN 969 969 ASN ASN A . A 1 62 LYS 970 970 LYS LYS A . A 1 63 HIS 971 971 HIS HIS A . A 1 64 GLY 972 972 GLY GLY A . A 1 65 LEU 973 973 LEU LEU A . A 1 66 LEU 974 974 LEU LEU A . A 1 67 GLN 975 975 GLN GLN A . A 1 68 ASN 976 976 ASN ASN A . A 1 69 PRO 977 977 PRO PRO A . A 1 70 TYR 978 978 TYR TYR A . A 1 71 ARG 979 979 ARG ARG A . A 1 72 ILE 980 980 ILE ILE A . A 1 73 PRO 981 981 PRO PRO A . A 1 74 PRO 982 982 PRO PRO A . A 1 75 LEU 983 983 LEU LEU A . A 1 76 PHE 984 984 PHE PHE A . A 1 77 PRO 985 985 PRO PRO A . A 1 78 ILE 986 986 ILE ILE A . A 1 79 LYS 987 987 LYS LYS A . A 1 80 SER 988 988 SER SER A . A 1 81 PHE 989 989 PHE PHE A . A 1 82 VAL 990 990 VAL VAL A . A 1 83 LYS 991 991 LYS LYS A . A 1 84 THR 992 992 THR THR A . A 1 85 LYS 993 993 LYS LYS A . A 1 86 CYS 994 994 CYS CYS A . A 1 87 LYS 995 995 LYS LYS A . A 1 88 LYS 996 996 LYS LYS A . A 1 89 ASN 997 997 ASN ASN A . A 1 90 LEU 998 998 LEU LEU A . A 1 91 LEU 999 999 LEU LEU A . A 1 92 GLU 1000 1000 GLU GLU A . A 1 93 GLU 1001 1001 GLU GLU A . A 1 94 ASN 1002 1002 ASN ASN A . A 1 95 PHE 1003 1003 PHE PHE A . A 1 96 GLU 1004 1004 GLU GLU A . A 1 97 GLU 1005 1005 GLU GLU A . A 1 98 HIS 1006 1006 HIS HIS A . A 1 99 SER 1007 1007 SER SER A . A 1 100 MET 1008 1008 MET MET A . A 1 101 SER 1009 1009 SER SER A . A 1 102 PRO 1010 1010 PRO PRO A . A 1 103 GLU 1011 1011 GLU GLU A . A 1 104 ARG 1012 1012 ARG ARG A . A 1 105 GLU 1013 1013 GLU GLU A . A 1 106 MET 1014 1014 MET MET A . A 1 107 GLY 1015 1015 GLY GLY A . A 1 108 ASN 1016 1016 ASN ASN A . A 1 109 GLU 1017 1017 GLU GLU A . A 1 110 ASN 1018 1018 ASN ASN A . A 1 111 ILE 1019 1019 ILE ILE A . A 1 112 PRO 1020 1020 PRO PRO A . A 1 113 SER 1021 1021 SER SER A . A 1 114 THR 1022 1022 THR THR A . A 1 115 VAL 1023 1023 VAL VAL A . A 1 116 SER 1024 1024 SER SER A . A 1 117 THR 1025 1025 THR THR A . A 1 118 ILE 1026 1026 ILE ILE A . A 1 119 SER 1027 1027 SER SER A . A 1 120 ARG 1028 1028 ARG ARG A . A 1 121 ASN 1029 1029 ASN ASN A . A 1 122 ASN 1030 1030 ASN ASN A . A 1 123 ILE 1031 1031 ILE ILE A . A 1 124 ARG 1032 1032 ARG ARG A . A 1 125 GLU 1033 1033 GLU GLU A . A 1 126 ASN 1034 1034 ASN ASN A . A 1 127 VAL 1035 1035 VAL VAL A . A 1 128 PHE 1036 1036 PHE PHE A . A 1 129 LYS 1037 1037 LYS LYS A . A 1 130 GLU 1038 1038 GLU GLU A . A 1 131 ALA 1039 1039 ALA ALA A . A 1 132 SER 1040 1040 SER SER A . A 1 133 SER 1041 1041 SER SER A . A 1 134 SER 1042 1042 SER SER A . A 1 135 ASN 1043 1043 ASN ASN A . A 1 136 ILE 1044 1044 ILE ILE A . A 1 137 ASN 1045 1045 ASN ASN A . A 1 138 GLU 1046 1046 GLU GLU A . A 1 139 VAL 1047 1047 VAL VAL A . A 1 140 GLY 1048 1048 GLY GLY A . A 1 141 SER 1049 1049 SER SER A . A 1 142 SER 1050 1050 SER SER A . A 1 143 THR 1051 1051 THR THR A . A 1 144 ASN 1052 1052 ASN ASN A . A 1 145 GLU 1053 1053 GLU GLU A . A 1 146 VAL 1054 1054 VAL VAL A . A 1 147 GLY 1055 1055 GLY GLY A . A 1 148 SER 1056 1056 SER SER A . A 1 149 SER 1057 1057 SER SER A . A 1 150 ILE 1058 1058 ILE ILE A . A 1 151 ASN 1059 1059 ASN ASN A . A 1 152 GLU 1060 1060 GLU GLU A . A 1 153 ILE 1061 1061 ILE ILE A . A 1 154 GLY 1062 1062 GLY GLY A . A 1 155 SER 1063 1063 SER SER A . A 1 156 SER 1064 1064 SER SER A . A 1 157 ASP 1065 1065 ASP ASP A . A 1 158 GLU 1066 1066 GLU GLU A . A 1 159 ASN 1067 1067 ASN ASN A . A 1 160 ILE 1068 1068 ILE ILE A . A 1 161 GLN 1069 1069 GLN GLN A . A 1 162 ALA 1070 1070 ALA ALA A . A 1 163 GLU 1071 1071 GLU GLU A . A 1 164 LEU 1072 1072 LEU LEU A . A 1 165 GLY 1073 1073 GLY GLY A . A 1 166 ARG 1074 1074 ARG ARG A . A 1 167 ASN 1075 1075 ASN ASN A . A 1 168 ARG 1076 1076 ARG ARG A . A 1 169 GLY 1077 1077 GLY GLY A . A 1 170 PRO 1078 1078 PRO PRO A . A 1 171 LYS 1079 1079 LYS LYS A . A 1 172 LEU 1080 1080 LEU LEU A . A 1 173 ASN 1081 1081 ASN ASN A . A 1 174 ALA 1082 1082 ALA ALA A . A 1 175 MET 1083 1083 MET MET A . A 1 176 LEU 1084 1084 LEU LEU A . A 1 177 ARG 1085 1085 ARG ARG A . A 1 178 LEU 1086 1086 LEU LEU A . A 1 179 GLY 1087 1087 GLY GLY A . A 1 180 VAL 1088 1088 VAL VAL A . A 1 181 LEU 1089 1089 LEU LEU A . A 1 182 GLN 1090 1090 GLN GLN A . A 1 183 PRO 1091 1091 PRO PRO A . A 1 184 GLU 1092 1092 GLU GLU A . A 1 185 VAL 1093 1093 VAL VAL A . A 1 186 TYR 1094 1094 TYR TYR A . A 1 187 LYS 1095 1095 LYS LYS A . A 1 188 GLN 1096 1096 GLN GLN A . A 1 189 SER 1097 1097 SER SER A . A 1 190 LEU 1098 1098 LEU LEU A . A 1 191 PRO 1099 1099 PRO PRO A . A 1 192 GLY 1100 1100 GLY GLY A . A 1 193 SER 1101 1101 SER SER A . A 1 194 ASN 1102 1102 ASN ASN A . A 1 195 CYS 1103 1103 CYS CYS A . A 1 196 LYS 1104 1104 LYS LYS A . A 1 197 HIS 1105 1105 HIS HIS A . A 1 198 PRO 1106 1106 PRO PRO A . A 1 199 GLU 1107 1107 GLU GLU A . A 1 200 ILE 1108 1108 ILE ILE A . B 2 1 GLU 550 550 GLU GLU B . B 2 2 GLY 551 551 GLY GLY B . B 2 3 LEU 552 552 LEU LEU B . B 2 4 PHE 553 553 PHE PHE B . B 2 5 SER 554 554 SER SER B . B 2 6 GLN 555 555 GLN GLN B . B 2 7 LYS 556 556 LYS LYS B . B 2 8 SER 557 557 SER SER B . B 2 9 PHE 558 558 PHE PHE B . B 2 10 LEU 559 559 LEU LEU B . B 2 11 VAL 560 560 VAL VAL B . B 2 12 LEU 561 561 LEU LEU B . B 2 13 GLY 562 562 GLY GLY B . B 2 14 PHE 563 563 PHE PHE B . B 2 15 SER 564 564 SER SER B . B 2 16 ASN 565 565 ASN ASN B . B 2 17 GLU 566 566 GLU GLU B . B 2 18 ASN 567 567 ASN ASN B . B 2 19 GLU 568 568 GLU GLU B . B 2 20 SER 569 569 SER SER B . B 2 21 ASN 570 570 ASN ASN B . B 2 22 ILE 571 571 ILE ILE B . B 2 23 ALA 572 572 ALA ALA B . B 2 24 ASN 573 573 ASN ASN B . B 2 25 ILE 574 574 ILE ILE B . B 2 26 ILE 575 575 ILE ILE B . B 2 27 LYS 576 576 LYS LYS B . B 2 28 GLU 577 577 GLU GLU B . B 2 29 ASN 578 578 ASN ASN B . B 2 30 ALA 579 579 ALA ALA B . B 2 31 GLY 580 580 GLY GLY B . B 2 32 LYS 581 581 LYS LYS B . B 2 33 ILE 582 582 ILE ILE B . B 2 34 MET 583 583 MET MET B . B 2 35 SER 584 584 SER SER B . B 2 36 LEU 585 585 LEU LEU B . B 2 37 LEU 586 586 LEU LEU B . B 2 38 SER 587 587 SER SER B . B 2 39 ARG 588 588 ARG ARG B . B 2 40 THR 589 589 THR THR B . B 2 41 VAL 590 590 VAL VAL B . B 2 42 ALA 591 591 ALA ALA B . B 2 43 ASP 592 592 ASP ASP B . B 2 44 TYR 593 593 TYR TYR B . B 2 45 ALA 594 594 ALA ALA B . B 2 46 VAL 595 595 VAL VAL B . B 2 47 VAL 596 596 VAL VAL B . B 2 48 PRO 597 597 PRO PRO B . B 2 49 LEU 598 598 LEU LEU B . B 2 50 LEU 599 599 LEU LEU B . B 2 51 GLY 600 600 GLY GLY B . B 2 52 CYS 601 601 CYS CYS B . B 2 53 GLU 602 602 GLU GLU B . B 2 54 VAL 603 603 VAL VAL B . B 2 55 GLU 604 604 GLU GLU B . B 2 56 ALA 605 605 ALA ALA B . B 2 57 THR 606 606 THR THR B . B 2 58 VAL 607 607 VAL VAL B . B 2 59 GLY 608 608 GLY GLY B . B 2 60 GLU 609 609 GLU GLU B . B 2 61 VAL 610 610 VAL VAL B . B 2 62 VAL 611 611 VAL VAL B . B 2 63 THR 612 612 THR THR B . B 2 64 ASN 613 613 ASN ASN B . B 2 65 THR 614 614 THR THR B . B 2 66 TRP 615 615 TRP TRP B . B 2 67 LEU 616 616 LEU LEU B . B 2 68 VAL 617 617 VAL VAL B . B 2 69 THR 618 618 THR THR B . B 2 70 CYS 619 619 CYS CYS B . B 2 71 ILE 620 620 ILE ILE B . B 2 72 ASP 621 621 ASP ASP B . B 2 73 TYR 622 622 TYR TYR B . B 2 74 GLN 623 623 GLN GLN B . B 2 75 THR 624 624 THR THR B . B 2 76 LEU 625 625 LEU LEU B . B 2 77 PHE 626 626 PHE PHE B . B 2 78 ASP 627 627 ASP ASP B . B 2 79 PRO 628 628 PRO PRO B . B 2 80 LYS 629 629 LYS LYS B . B 2 81 SER 630 630 SER SER B . B 2 82 ASN 631 631 ASN ASN B . B 2 83 PRO 632 632 PRO PRO B . B 2 84 LEU 633 633 LEU LEU B . B 2 85 PHE 634 634 PHE PHE B . B 2 86 THR 635 635 THR THR B . B 2 87 PRO 636 636 PRO PRO B . B 2 88 VAL 637 637 VAL VAL B . B 2 89 PRO 638 638 PRO PRO B . B 2 90 VAL 639 639 VAL VAL B . B 2 91 MET 640 640 MET MET B . B 2 92 THR 641 641 THR THR B . B 2 93 GLY 642 642 GLY GLY B . B 2 94 MET 643 643 MET MET B . B 2 95 THR 644 644 THR THR B . B 2 96 PRO 645 645 PRO PRO B . B 2 97 LEU 646 646 LEU LEU B . B 2 98 GLU 647 647 GLU GLU B . B 2 99 ASP 648 648 ASP ASP B . B 2 100 CYS 649 649 CYS CYS B . B 2 101 VAL 650 650 VAL VAL B . B 2 102 ILE 651 651 ILE ILE B . B 2 103 SER 652 652 SER SER B . B 2 104 PHE 653 653 PHE PHE B . B 2 105 SER 654 654 SER SER B . B 2 106 GLN 655 655 GLN GLN B . B 2 107 CYS 656 656 CYS CYS B . B 2 108 ALA 657 657 ALA ALA B . B 2 109 GLY 658 658 GLY GLY B . B 2 110 ALA 659 659 ALA ALA B . B 2 111 GLU 660 660 GLU GLU B . B 2 112 LYS 661 661 LYS LYS B . B 2 113 GLU 662 662 GLU GLU B . B 2 114 SER 663 663 SER SER B . B 2 115 LEU 664 664 LEU LEU B . B 2 116 THR 665 665 THR THR B . B 2 117 PHE 666 666 PHE PHE B . B 2 118 LEU 667 667 LEU LEU B . B 2 119 ALA 668 668 ALA ALA B . B 2 120 ASN 669 669 ASN ASN B . B 2 121 LEU 670 670 LEU LEU B . B 2 122 LEU 671 671 LEU LEU B . B 2 123 GLY 672 672 GLY GLY B . B 2 124 ALA 673 673 ALA ALA B . B 2 125 SER 674 674 SER SER B . B 2 126 VAL 675 675 VAL VAL B . B 2 127 GLN 676 676 GLN GLN B . B 2 128 GLU 677 677 GLU GLU B . B 2 129 TYR 678 678 TYR TYR B . B 2 130 PHE 679 679 PHE PHE B . B 2 131 VAL 680 680 VAL VAL B . B 2 132 ARG 681 681 ARG ARG B . B 2 133 LYS 682 682 LYS LYS B . B 2 134 SER 683 683 SER SER B . B 2 135 ASN 684 684 ASN ASN B . B 2 136 ALA 685 685 ALA ALA B . B 2 137 LYS 686 686 LYS LYS B . B 2 138 LYS 687 687 LYS LYS B . B 2 139 GLY 688 688 GLY GLY B . B 2 140 MET 689 689 MET MET B . B 2 141 PHE 690 690 PHE PHE B . B 2 142 ALA 691 691 ALA ALA B . B 2 143 SER 692 692 SER SER B . B 2 144 THR 693 693 THR THR B . B 2 145 HIS 694 694 HIS HIS B . B 2 146 LEU 695 695 LEU LEU B . B 2 147 ILE 696 696 ILE ILE B . B 2 148 LEU 697 697 LEU LEU B . B 2 149 LYS 698 698 LYS LYS B . B 2 150 GLU 699 699 GLU GLU B . B 2 151 ARG 700 700 ARG ARG B . B 2 152 GLY 701 701 GLY GLY B . B 2 153 GLY 702 702 GLY GLY B . B 2 154 SER 703 703 SER SER B . B 2 155 LYS 704 704 LYS LYS B . B 2 156 TYR 705 705 TYR TYR B . B 2 157 GLU 706 706 GLU GLU B . B 2 158 ALA 707 707 ALA ALA B . B 2 159 ALA 708 708 ALA ALA B . B 2 160 LYS 709 709 LYS LYS B . B 2 161 LYS 710 710 LYS LYS B . B 2 162 TRP 711 711 TRP TRP B . B 2 163 ASN 712 712 ASN ASN B . B 2 164 LEU 713 713 LEU LEU B . B 2 165 PRO 714 714 PRO PRO B . B 2 166 ALA 715 715 ALA ALA B . B 2 167 VAL 716 716 VAL VAL B . B 2 168 THR 717 717 THR THR B . B 2 169 ILE 718 718 ILE ILE B . B 2 170 ALA 719 719 ALA ALA B . B 2 171 TRP 720 720 TRP TRP B . B 2 172 LEU 721 721 LEU LEU B . B 2 173 LEU 722 722 LEU LEU B . B 2 174 GLU 723 723 GLU GLU B . B 2 175 THR 724 724 THR THR B . B 2 176 ALA 725 725 ALA ALA B . B 2 177 ARG 726 726 ARG ARG B . B 2 178 THR 727 727 THR THR B . B 2 179 GLY 728 728 GLY GLY B . B 2 180 LYS 729 729 LYS LYS B . B 2 181 ARG 730 730 ARG ARG B . B 2 182 ALA 731 731 ALA ALA B . B 2 183 ASP 732 732 ASP ASP B . B 2 184 GLU 733 733 GLU GLU B . B 2 185 SER 734 734 SER SER B . B 2 186 HIS 735 735 HIS HIS B . B 2 187 PHE 736 736 PHE PHE B . B 2 188 LEU 737 737 LEU LEU B . B 2 189 ILE 738 738 ILE ILE B . B 2 190 GLU 739 739 GLU GLU B . B 2 191 ASN 740 740 ASN ASN B . B 2 192 SER 741 741 SER SER B . B 2 193 THR 742 742 THR THR B . B 2 194 LYS 743 743 LYS LYS B . B 2 195 GLU 744 744 GLU GLU B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) BRCA1 (P38398; 909 - 1108)' target 2 'Homo sapiens (Human) TOPBP1 (Q92547; 550 - 744)' target 3 'Model 3' 'model coordinates' 4 'Paired MSA for the dimer' 'coevolution MSA' loop_ _ma_data_group.ordinal_id _ma_data_group.group_id _ma_data_group.data_id 1 1 1 2 1 2 3 2 1 4 2 2 5 2 4 6 3 4 7 4 3 loop_ _ma_target_entity.entity_id _ma_target_entity.data_id _ma_target_entity.origin 1 1 'reference database' 2 2 'reference database' loop_ _ma_target_entity_instance.asym_id _ma_target_entity_instance.entity_id _ma_target_entity_instance.details A 1 . B 2 . loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type _ma_protocol_step.step_name _ma_protocol_step.details _ma_protocol_step.software_group_id _ma_protocol_step.input_data_group_id _ma_protocol_step.output_data_group_id 1 1 1 'coevolution MSA' . 'Create paired MSAs for the dimers' . 1 3 2 1 2 modeling . "Model using AlphaFold ('model 3' parameters; pTM monomer version) with a 200 residue gap between the two chains, without templates and without model relaxation" 1 2 4 loop_ _ma_model_list.ordinal_id _ma_model_list.model_id _ma_model_list.model_group_id _ma_model_list.model_name _ma_model_list.model_group_name _ma_model_list.data_id _ma_model_list.model_type _ma_model_list.model_type_other_details 1 1 1 'Model 3' . 3 'Ab initio model' . 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_seq_id _atom_site.auth_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.label_asym_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.label_entity_id _atom_site.auth_asym_id _atom_site.B_iso_or_equiv _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASN 1 909 ? A -14.784 17.160 -32.765 1.000 1 A 31.458 1 ATOM 2 C CA . ASN 1 909 ? A -14.489 17.747 -34.067 1.000 1 A 31.458 1 ATOM 3 C C . ASN 1 909 ? A -13.038 18.214 -34.156 1.000 1 A 31.458 1 ATOM 4 O O . ASN 1 909 ? A -12.655 19.190 -33.508 1.000 1 A 31.458 1 ATOM 5 C CB . ASN 1 909 ? A -15.439 18.910 -34.359 1.000 1 A 31.458 1 ATOM 6 C CG . ASN 1 909 ? A -16.858 18.451 -34.632 1.000 1 A 31.458 1 ATOM 7 O OD1 . ASN 1 909 ? A -17.079 17.349 -35.141 1.000 1 A 31.458 1 ATOM 8 N ND2 . ASN 1 909 ? A -17.829 19.292 -34.295 1.000 1 A 31.458 1 ATOM 9 N N . GLN 2 910 ? A -12.252 17.387 -34.745 1.000 1 A 30.322 1 ATOM 10 C CA . GLN 2 910 ? A -11.256 17.486 -35.807 1.000 1 A 30.322 1 ATOM 11 C C . GLN 2 910 ? A -10.103 16.514 -35.572 1.000 1 A 30.322 1 ATOM 12 O O . GLN 2 910 ? A -9.469 16.538 -34.515 1.000 1 A 30.322 1 ATOM 13 C CB . GLN 2 910 ? A -10.723 18.916 -35.911 1.000 1 A 30.322 1 ATOM 14 C CG . GLN 2 910 ? A -11.151 19.640 -37.181 1.000 1 A 30.322 1 ATOM 15 C CD . GLN 2 910 ? A -10.441 20.968 -37.367 1.000 1 A 30.322 1 ATOM 16 O OE1 . GLN 2 910 ? A -9.332 21.170 -36.862 1.000 1 A 30.322 1 ATOM 17 N NE2 . GLN 2 910 ? A -11.075 21.883 -38.092 1.000 1 A 30.322 1 ATOM 18 N N . GLY 3 911 ? A -10.250 15.306 -36.167 1.000 1 A 35.484 1 ATOM 19 C CA . GLY 3 911 ? A -9.429 14.980 -37.322 1.000 1 A 35.484 1 ATOM 20 C C . GLY 3 911 ? A -8.863 13.573 -37.274 1.000 1 A 35.484 1 ATOM 21 O O . GLY 3 911 ? A -8.201 13.198 -36.305 1.000 1 A 35.484 1 ATOM 22 N N . LYS 4 912 ? A -9.588 12.622 -37.642 1.000 1 A 35.097 1 ATOM 23 C CA . LYS 4 912 ? A -9.334 11.623 -38.676 1.000 1 A 35.097 1 ATOM 24 C C . LYS 4 912 ? A -7.921 11.758 -39.237 1.000 1 A 35.097 1 ATOM 25 O O . LYS 4 912 ? A -7.576 12.786 -39.823 1.000 1 A 35.097 1 ATOM 26 C CB . LYS 4 912 ? A -10.359 11.747 -39.805 1.000 1 A 35.097 1 ATOM 27 C CG . LYS 4 912 ? A -11.456 10.693 -39.763 1.000 1 A 35.097 1 ATOM 28 C CD . LYS 4 912 ? A -12.449 10.875 -40.904 1.000 1 A 35.097 1 ATOM 29 C CE . LYS 4 912 ? A -13.585 9.864 -40.824 1.000 1 A 35.097 1 ATOM 30 N NZ . LYS 4 912 ? A -14.546 10.020 -41.956 1.000 1 A 35.097 1 ATOM 31 N N . ASN 5 913 ? A -6.923 11.245 -38.605 1.000 1 A 38.094 1 ATOM 32 C CA . ASN 5 913 ? A -5.749 10.824 -39.363 1.000 1 A 38.094 1 ATOM 33 C C . ASN 5 913 ? A -5.564 9.310 -39.314 1.000 1 A 38.094 1 ATOM 34 O O . ASN 5 913 ? A -5.376 8.738 -38.239 1.000 1 A 38.094 1 ATOM 35 C CB . ASN 5 913 ? A -4.494 11.530 -38.845 1.000 1 A 38.094 1 ATOM 36 C CG . ASN 5 913 ? A -4.274 12.882 -39.495 1.000 1 A 38.094 1 ATOM 37 O OD1 . ASN 5 913 ? A -4.833 13.173 -40.556 1.000 1 A 38.094 1 ATOM 38 N ND2 . ASN 5 913 ? A -3.458 13.718 -38.863 1.000 1 A 38.094 1 ATOM 39 N N . GLU 6 914 ? A -6.311 8.514 -40.013 1.000 1 A 31.885 1 ATOM 40 C CA . GLU 6 914 ? A -6.029 7.355 -40.855 1.000 1 A 31.885 1 ATOM 41 C C . GLU 6 914 ? A -4.615 7.419 -41.426 1.000 1 A 31.885 1 ATOM 42 O O . GLU 6 914 ? A -4.268 8.368 -42.132 1.000 1 A 31.885 1 ATOM 43 C CB . GLU 6 914 ? A -7.051 7.253 -41.990 1.000 1 A 31.885 1 ATOM 44 C CG . GLU 6 914 ? A -7.838 5.951 -41.992 1.000 1 A 31.885 1 ATOM 45 C CD . GLU 6 914 ? A -8.978 5.941 -42.999 1.000 1 A 31.885 1 ATOM 46 O OE1 . GLU 6 914 ? A -9.756 4.960 -43.025 1.000 1 A 31.885 1 ATOM 47 O OE2 . GLU 6 914 ? A -9.093 6.921 -43.767 1.000 1 A 31.885 1 ATOM 48 N N . SER 7 915 ? A -3.605 6.901 -40.782 1.000 1 A 39.703 1 ATOM 49 C CA . SER 7 915 ? A -2.421 6.403 -41.475 1.000 1 A 39.703 1 ATOM 50 C C . SER 7 915 ? A -2.269 4.896 -41.295 1.000 1 A 39.703 1 ATOM 51 O O . SER 7 915 ? A -2.392 4.383 -40.181 1.000 1 A 39.703 1 ATOM 52 C CB . SER 7 915 ? A -1.165 7.114 -40.971 1.000 1 A 39.703 1 ATOM 53 O OG . SER 7 915 ? A -0.990 6.902 -39.580 1.000 1 A 39.703 1 ATOM 54 N N . ASN 8 916 ? A -2.905 4.092 -42.093 1.000 1 A 29.526 1 ATOM 55 C CA . ASN 8 916 ? A -2.514 2.979 -42.952 1.000 1 A 29.526 1 ATOM 56 C C . ASN 8 916 ? A -0.998 2.884 -43.091 1.000 1 A 29.526 1 ATOM 57 O O . ASN 8 916 ? A -0.374 3.731 -43.732 1.000 1 A 29.526 1 ATOM 58 C CB . ASN 8 916 ? A -3.166 3.110 -44.330 1.000 1 A 29.526 1 ATOM 59 C CG . ASN 8 916 ? A -4.588 2.584 -44.355 1.000 1 A 29.526 1 ATOM 60 O OD1 . ASN 8 916 ? A -4.941 1.676 -43.598 1.000 1 A 29.526 1 ATOM 61 N ND2 . ASN 8 916 ? A -5.415 3.152 -45.225 1.000 1 A 29.526 1 ATOM 62 N N . ILE 9 917 ? A -0.235 2.397 -42.156 1.000 1 A 36.217 1 ATOM 63 C CA . ILE 9 917 ? A 1.061 1.843 -42.534 1.000 1 A 36.217 1 ATOM 64 C C . ILE 9 917 ? A 1.127 0.369 -42.139 1.000 1 A 36.217 1 ATOM 65 O O . ILE 9 917 ? A 0.806 0.009 -41.004 1.000 1 A 36.217 1 ATOM 66 C CB . ILE 9 917 ? A 2.222 2.625 -41.881 1.000 1 A 36.217 1 ATOM 67 C CG1 . ILE 9 917 ? A 2.220 4.082 -42.359 1.000 1 A 36.217 1 ATOM 68 C CG2 . ILE 9 917 ? A 3.564 1.952 -42.183 1.000 1 A 36.217 1 ATOM 69 C CD1 . ILE 9 917 ? A 3.211 4.975 -41.626 1.000 1 A 36.217 1 ATOM 70 N N . LYS 10 918 ? A 0.678 -0.609 -42.939 1.000 1 A 33.553 1 ATOM 71 C CA . LYS 10 918 ? A 1.033 -1.969 -43.336 1.000 1 A 33.553 1 ATOM 72 C C . LYS 10 918 ? A 2.388 -2.373 -42.763 1.000 1 A 33.553 1 ATOM 73 O O . LYS 10 918 ? A 3.331 -1.578 -42.765 1.000 1 A 33.553 1 ATOM 74 C CB . LYS 10 918 ? A 1.049 -2.097 -44.860 1.000 1 A 33.553 1 ATOM 75 C CG . LYS 10 918 ? A -0.331 -2.250 -45.482 1.000 1 A 33.553 1 ATOM 76 C CD . LYS 10 918 ? A -0.241 -2.603 -46.961 1.000 1 A 33.553 1 ATOM 77 C CE . LYS 10 918 ? A -1.620 -2.693 -47.601 1.000 1 A 33.553 1 ATOM 78 N NZ . LYS 10 918 ? A -1.539 -3.085 -49.040 1.000 1 A 33.553 1 ATOM 79 N N . PRO 11 919 ? A 2.584 -3.551 -42.287 1.000 1 A 34.847 1 ATOM 80 C CA . PRO 11 919 ? A 3.475 -4.341 -41.434 1.000 1 A 34.847 1 ATOM 81 C C . PRO 11 919 ? A 4.751 -4.772 -42.154 1.000 1 A 34.847 1 ATOM 82 O O . PRO 11 919 ? A 4.717 -5.074 -43.350 1.000 1 A 34.847 1 ATOM 83 C CB . PRO 11 919 ? A 2.621 -5.555 -41.062 1.000 1 A 34.847 1 ATOM 84 C CG . PRO 11 919 ? A 1.601 -5.653 -42.149 1.000 1 A 34.847 1 ATOM 85 C CD . PRO 11 919 ? A 1.841 -4.542 -43.130 1.000 1 A 34.847 1 ATOM 86 N N . VAL 12 920 ? A 5.891 -4.235 -41.882 1.000 1 A 34.518 1 ATOM 87 C CA . VAL 12 920 ? A 7.277 -4.579 -42.182 1.000 1 A 34.518 1 ATOM 88 C C . VAL 12 920 ? A 7.629 -5.918 -41.539 1.000 1 A 34.518 1 ATOM 89 O O . VAL 12 920 ? A 7.350 -6.139 -40.358 1.000 1 A 34.518 1 ATOM 90 C CB . VAL 12 920 ? A 8.251 -3.482 -41.696 1.000 1 A 34.518 1 ATOM 91 C CG1 . VAL 12 920 ? A 9.700 -3.934 -41.864 1.000 1 A 34.518 1 ATOM 92 C CG2 . VAL 12 920 ? A 8.004 -2.177 -42.451 1.000 1 A 34.518 1 ATOM 93 N N . GLN 13 921 ? A 7.319 -7.055 -42.212 1.000 1 A 28.302 1 ATOM 94 C CA . GLN 13 921 ? A 8.027 -8.201 -42.773 1.000 1 A 28.302 1 ATOM 95 C C . GLN 13 921 ? A 9.486 -8.219 -42.324 1.000 1 A 28.302 1 ATOM 96 O O . GLN 13 921 ? A 10.178 -7.203 -42.405 1.000 1 A 28.302 1 ATOM 97 C CB . GLN 13 921 ? A 7.947 -8.186 -44.300 1.000 1 A 28.302 1 ATOM 98 C CG . GLN 13 921 ? A 8.043 -9.568 -44.934 1.000 1 A 28.302 1 ATOM 99 C CD . GLN 13 921 ? A 7.678 -9.565 -46.406 1.000 1 A 28.302 1 ATOM 100 O OE1 . GLN 13 921 ? A 7.920 -8.585 -47.118 1.000 1 A 28.302 1 ATOM 101 N NE2 . GLN 13 921 ? A 7.090 -10.661 -46.873 1.000 1 A 28.302 1 ATOM 102 N N . THR 14 922 ? A 9.932 -9.161 -41.444 1.000 1 A 23.632 1 ATOM 103 C CA . THR 14 922 ? A 10.756 -10.364 -41.399 1.000 1 A 23.632 1 ATOM 104 C C . THR 14 922 ? A 12.203 -10.042 -41.762 1.000 1 A 23.632 1 ATOM 105 O O . THR 14 922 ? A 12.470 -9.463 -42.817 1.000 1 A 23.632 1 ATOM 106 C CB . THR 14 922 ? A 10.214 -11.448 -42.350 1.000 1 A 23.632 1 ATOM 107 O OG1 . THR 14 922 ? A 8.828 -11.675 -42.066 1.000 1 A 23.632 1 ATOM 108 C CG2 . THR 14 922 ? A 10.977 -12.758 -42.181 1.000 1 A 23.632 1 ATOM 109 N N . VAL 15 923 ? A 13.081 -9.848 -40.817 1.000 1 A 32.662 1 ATOM 110 C CA . VAL 15 923 ? A 14.489 -10.151 -41.049 1.000 1 A 32.662 1 ATOM 111 C C . VAL 15 923 ? A 14.992 -11.119 -39.980 1.000 1 A 32.662 1 ATOM 112 O O . VAL 15 923 ? A 14.786 -10.896 -38.785 1.000 1 A 32.662 1 ATOM 113 C CB . VAL 15 923 ? A 15.352 -8.870 -41.056 1.000 1 A 32.662 1 ATOM 114 C CG1 . VAL 15 923 ? A 16.833 -9.217 -41.200 1.000 1 A 32.662 1 ATOM 115 C CG2 . VAL 15 923 ? A 14.908 -7.934 -42.178 1.000 1 A 32.662 1 ATOM 116 N N . ASN 16 924 ? A 14.832 -12.429 -40.107 1.000 1 A 25.979 1 ATOM 117 C CA . ASN 16 924 ? A 15.679 -13.600 -39.905 1.000 1 A 25.979 1 ATOM 118 C C . ASN 16 924 ? A 17.151 -13.275 -40.143 1.000 1 A 25.979 1 ATOM 119 O O . ASN 16 924 ? A 17.532 -12.869 -41.242 1.000 1 A 25.979 1 ATOM 120 C CB . ASN 16 924 ? A 15.235 -14.747 -40.816 1.000 1 A 25.979 1 ATOM 121 C CG . ASN 16 924 ? A 13.806 -15.180 -40.555 1.000 1 A 25.979 1 ATOM 122 O OD1 . ASN 16 924 ? A 13.255 -14.929 -39.480 1.000 1 A 25.979 1 ATOM 123 N ND2 . ASN 16 924 ? A 13.195 -15.834 -41.536 1.000 1 A 25.979 1 ATOM 124 N N . ILE 17 925 ? A 17.971 -13.036 -39.134 1.000 1 A 34.257 1 ATOM 125 C CA . ILE 17 925 ? A 19.425 -13.159 -39.164 1.000 1 A 34.257 1 ATOM 126 C C . ILE 17 925 ? A 19.857 -14.377 -38.351 1.000 1 A 34.257 1 ATOM 127 O O . ILE 17 925 ? A 19.479 -14.519 -37.186 1.000 1 A 34.257 1 ATOM 128 C CB . ILE 17 925 ? A 20.111 -11.883 -38.625 1.000 1 A 34.257 1 ATOM 129 C CG1 . ILE 17 925 ? A 19.713 -10.666 -39.467 1.000 1 A 34.257 1 ATOM 130 C CG2 . ILE 17 925 ? A 21.632 -12.058 -38.599 1.000 1 A 34.257 1 ATOM 131 C CD1 . ILE 17 925 ? A 20.265 -9.346 -38.947 1.000 1 A 34.257 1 ATOM 132 N N . THR 18 926 ? A 19.877 -15.581 -38.910 1.000 1 A 24.700 1 ATOM 133 C CA . THR 18 926 ? A 20.761 -16.701 -39.214 1.000 1 A 24.700 1 ATOM 134 C C . THR 18 926 ? A 22.224 -16.275 -39.124 1.000 1 A 24.700 1 ATOM 135 O O . THR 18 926 ? A 22.614 -15.252 -39.692 1.000 1 A 24.700 1 ATOM 136 C CB . THR 18 926 ? A 20.475 -17.275 -40.614 1.000 1 A 24.700 1 ATOM 137 O OG1 . THR 18 926 ? A 19.085 -17.607 -40.713 1.000 1 A 24.700 1 ATOM 138 C CG2 . THR 18 926 ? A 21.306 -18.527 -40.874 1.000 1 A 24.700 1 ATOM 139 N N . ALA 19 927 ? A 23.033 -16.749 -38.149 1.000 1 A 27.293 1 ATOM 140 C CA . ALA 19 927 ? A 24.256 -17.533 -38.307 1.000 1 A 27.293 1 ATOM 141 C C . ALA 19 927 ? A 25.461 -16.792 -37.735 1.000 1 A 27.293 1 ATOM 142 O O . ALA 19 927 ? A 25.644 -15.600 -37.993 1.000 1 A 27.293 1 ATOM 143 C CB . ALA 19 927 ? A 24.488 -17.864 -39.779 1.000 1 A 27.293 1 ATOM 144 N N . GLY 20 928 ? A 26.040 -17.237 -36.620 1.000 1 A 25.762 1 ATOM 145 C CA . GLY 20 928 ? A 27.382 -17.789 -36.513 1.000 1 A 25.762 1 ATOM 146 C C . GLY 20 928 ? A 28.292 -16.974 -35.614 1.000 1 A 25.762 1 ATOM 147 O O . GLY 20 928 ? A 28.225 -15.743 -35.605 1.000 1 A 25.762 1 ATOM 148 N N . PHE 21 929 ? A 28.578 -17.435 -34.461 1.000 1 A 24.963 1 ATOM 149 C CA . PHE 21 929 ? A 29.811 -17.618 -33.706 1.000 1 A 24.963 1 ATOM 150 C C . PHE 21 929 ? A 31.004 -17.062 -34.474 1.000 1 A 24.963 1 ATOM 151 O O . PHE 21 929 ? A 31.177 -17.354 -35.659 1.000 1 A 24.963 1 ATOM 152 C CB . PHE 21 929 ? A 30.035 -19.100 -33.391 1.000 1 A 24.963 1 ATOM 153 C CG . PHE 21 929 ? A 29.026 -19.677 -32.434 1.000 1 A 24.963 1 ATOM 154 C CD1 . PHE 21 929 ? A 29.135 -19.451 -31.068 1.000 1 A 24.963 1 ATOM 155 C CD2 . PHE 21 929 ? A 27.969 -20.445 -32.902 1.000 1 A 24.963 1 ATOM 156 C CE1 . PHE 21 929 ? A 28.203 -19.983 -30.180 1.000 1 A 24.963 1 ATOM 157 C CE2 . PHE 21 929 ? A 27.033 -20.981 -32.022 1.000 1 A 24.963 1 ATOM 158 C CZ . PHE 21 929 ? A 27.152 -20.749 -30.661 1.000 1 A 24.963 1 ATOM 159 N N . PRO 22 930 ? A 31.851 -16.338 -33.689 1.000 1 A 36.180 1 ATOM 160 C CA . PRO 22 930 ? A 33.281 -16.650 -33.642 1.000 1 A 36.180 1 ATOM 161 C C . PRO 22 930 ? A 33.857 -16.564 -32.231 1.000 1 A 36.180 1 ATOM 162 O O . PRO 22 930 ? A 33.313 -15.856 -31.380 1.000 1 A 36.180 1 ATOM 163 C CB . PRO 22 930 ? A 33.904 -15.589 -34.552 1.000 1 A 36.180 1 ATOM 164 C CG . PRO 22 930 ? A 33.063 -14.370 -34.349 1.000 1 A 36.180 1 ATOM 165 C CD . PRO 22 930 ? A 31.897 -14.735 -33.476 1.000 1 A 36.180 1 ATOM 166 N N . VAL 23 931 ? A 34.348 -17.648 -31.674 1.000 1 A 23.964 1 ATOM 167 C CA . VAL 23 931 ? A 35.604 -18.255 -31.245 1.000 1 A 23.964 1 ATOM 168 C C . VAL 23 931 ? A 36.768 -17.327 -31.582 1.000 1 A 23.964 1 ATOM 169 O O . VAL 23 931 ? A 36.864 -16.823 -32.704 1.000 1 A 23.964 1 ATOM 170 C CB . VAL 23 931 ? A 35.818 -19.639 -31.897 1.000 1 A 23.964 1 ATOM 171 C CG1 . VAL 23 931 ? A 37.172 -20.221 -31.496 1.000 1 A 23.964 1 ATOM 172 C CG2 . VAL 23 931 ? A 34.688 -20.591 -31.512 1.000 1 A 23.964 1 ATOM 173 N N . VAL 24 932 ? A 37.498 -16.716 -30.544 1.000 1 A 24.394 1 ATOM 174 C CA . VAL 24 932 ? A 38.915 -16.856 -30.228 1.000 1 A 24.394 1 ATOM 175 C C . VAL 24 932 ? A 39.583 -15.483 -30.227 1.000 1 A 24.394 1 ATOM 176 O O . VAL 24 932 ? A 39.379 -14.686 -31.146 1.000 1 A 24.394 1 ATOM 177 C CB . VAL 24 932 ? A 39.629 -17.795 -31.226 1.000 1 A 24.394 1 ATOM 178 C CG1 . VAL 24 932 ? A 41.145 -17.720 -31.049 1.000 1 A 24.394 1 ATOM 179 C CG2 . VAL 24 932 ? A 39.138 -19.231 -31.052 1.000 1 A 24.394 1 ATOM 180 N N . GLY 25 933 ? A 40.167 -15.081 -29.038 1.000 1 A 31.051 1 ATOM 181 C CA . GLY 25 933 ? A 41.564 -14.709 -28.883 1.000 1 A 31.051 1 ATOM 182 C C . GLY 25 933 ? A 41.807 -13.776 -27.712 1.000 1 A 31.051 1 ATOM 183 O O . GLY 25 933 ? A 41.084 -12.793 -27.535 1.000 1 A 31.051 1 ATOM 184 N N . GLN 26 934 ? A 42.345 -14.211 -26.611 1.000 1 A 29.167 1 ATOM 185 C CA . GLN 26 934 ? A 43.674 -14.081 -26.023 1.000 1 A 29.167 1 ATOM 186 C C . GLN 26 934 ? A 43.947 -12.642 -25.596 1.000 1 A 29.167 1 ATOM 187 O O . GLN 26 934 ? A 43.693 -11.704 -26.355 1.000 1 A 29.167 1 ATOM 188 C CB . GLN 26 934 ? A 44.746 -14.549 -27.007 1.000 1 A 29.167 1 ATOM 189 C CG . GLN 26 934 ? A 45.183 -15.993 -26.800 1.000 1 A 29.167 1 ATOM 190 C CD . GLN 26 934 ? A 46.678 -16.184 -26.970 1.000 1 A 29.167 1 ATOM 191 O OE1 . GLN 26 934 ? A 47.475 -15.318 -26.594 1.000 1 A 29.167 1 ATOM 192 N NE2 . GLN 26 934 ? A 47.070 -17.319 -27.540 1.000 1 A 29.167 1 ATOM 193 N N . LYS 27 935 ? A 44.188 -12.349 -24.323 1.000 1 A 24.678 1 ATOM 194 C CA . LYS 27 935 ? A 45.334 -11.937 -23.516 1.000 1 A 24.678 1 ATOM 195 C C . LYS 27 935 ? A 45.795 -10.533 -23.894 1.000 1 A 24.678 1 ATOM 196 O O . LYS 27 935 ? A 46.056 -10.253 -25.066 1.000 1 A 24.678 1 ATOM 197 C CB . LYS 27 935 ? A 46.487 -12.929 -23.677 1.000 1 A 24.678 1 ATOM 198 C CG . LYS 27 935 ? A 47.076 -13.413 -22.360 1.000 1 A 24.678 1 ATOM 199 C CD . LYS 27 935 ? A 48.194 -14.422 -22.585 1.000 1 A 24.678 1 ATOM 200 C CE . LYS 27 935 ? A 48.746 -14.949 -21.267 1.000 1 A 24.678 1 ATOM 201 N NZ . LYS 27 935 ? A 49.807 -15.978 -21.483 1.000 1 A 24.678 1 ATOM 202 N N . ASP 28 936 ? A 45.652 -9.527 -22.992 1.000 1 A 32.778 1 ATOM 203 C CA . ASP 28 936 ? A 46.619 -8.463 -22.742 1.000 1 A 32.778 1 ATOM 204 C C . ASP 28 936 ? A 46.318 -7.744 -21.429 1.000 1 A 32.778 1 ATOM 205 O O . ASP 28 936 ? A 45.168 -7.390 -21.158 1.000 1 A 32.778 1 ATOM 206 C CB . ASP 28 936 ? A 46.627 -7.462 -23.899 1.000 1 A 32.778 1 ATOM 207 C CG . ASP 28 936 ? A 47.853 -7.591 -24.786 1.000 1 A 32.778 1 ATOM 208 O OD1 . ASP 28 936 ? A 48.796 -8.325 -24.420 1.000 1 A 32.778 1 ATOM 209 O OD2 . ASP 28 936 ? A 47.878 -6.950 -25.859 1.000 1 A 32.778 1 ATOM 210 N N . LYS 29 937 ? A 46.906 -8.101 -20.245 1.000 1 A 33.173 1 ATOM 211 C CA . LYS 29 937 ? A 47.480 -7.374 -19.116 1.000 1 A 33.173 1 ATOM 212 C C . LYS 29 937 ? A 47.764 -5.921 -19.484 1.000 1 A 33.173 1 ATOM 213 O O . LYS 29 937 ? A 48.218 -5.634 -20.594 1.000 1 A 33.173 1 ATOM 214 C CB . LYS 29 937 ? A 48.763 -8.054 -18.637 1.000 1 A 33.173 1 ATOM 215 C CG . LYS 29 937 ? A 48.539 -9.409 -17.983 1.000 1 A 33.173 1 ATOM 216 C CD . LYS 29 937 ? A 49.764 -9.860 -17.196 1.000 1 A 33.173 1 ATOM 217 C CE . LYS 29 937 ? A 49.542 -11.219 -16.546 1.000 1 A 33.173 1 ATOM 218 N NZ . LYS 29 937 ? A 50.753 -11.681 -15.804 1.000 1 A 33.173 1 ATOM 219 N N . PRO 30 938 ? A 48.067 -4.964 -18.439 1.000 1 A 44.780 1 ATOM 220 C CA . PRO 30 938 ? A 47.526 -3.696 -17.945 1.000 1 A 44.780 1 ATOM 221 C C . PRO 30 938 ? A 48.482 -2.524 -18.158 1.000 1 A 44.780 1 ATOM 222 O O . PRO 30 938 ? A 49.692 -2.725 -18.286 1.000 1 A 44.780 1 ATOM 223 C CB . PRO 30 938 ? A 47.313 -3.961 -16.453 1.000 1 A 44.780 1 ATOM 224 C CG . PRO 30 938 ? A 48.431 -4.872 -16.063 1.000 1 A 44.780 1 ATOM 225 C CD . PRO 30 938 ? A 49.194 -5.249 -17.301 1.000 1 A 44.780 1 ATOM 226 N N . VAL 31 939 ? A 47.959 -1.347 -18.522 1.000 1 A 36.852 1 ATOM 227 C CA . VAL 31 939 ? A 48.360 0.039 -18.743 1.000 1 A 36.852 1 ATOM 228 C C . VAL 31 939 ? A 48.128 0.853 -17.473 1.000 1 A 36.852 1 ATOM 229 O O . VAL 31 939 ? A 47.069 0.752 -16.848 1.000 1 A 36.852 1 ATOM 230 C CB . VAL 31 939 ? A 47.595 0.669 -19.928 1.000 1 A 36.852 1 ATOM 231 C CG1 . VAL 31 939 ? A 47.628 2.194 -19.842 1.000 1 A 36.852 1 ATOM 232 C CG2 . VAL 31 939 ? A 48.182 0.193 -21.256 1.000 1 A 36.852 1 ATOM 233 N N . ASP 32 940 ? A 49.142 1.096 -16.589 1.000 1 A 28.133 1 ATOM 234 C CA . ASP 32 940 ? A 49.876 2.152 -15.898 1.000 1 A 28.133 1 ATOM 235 C C . ASP 32 940 ? A 49.616 3.513 -16.541 1.000 1 A 28.133 1 ATOM 236 O O . ASP 32 940 ? A 49.731 3.663 -17.759 1.000 1 A 28.133 1 ATOM 237 C CB . ASP 32 940 ? A 51.376 1.850 -15.897 1.000 1 A 28.133 1 ATOM 238 C CG . ASP 32 940 ? A 51.871 1.309 -14.567 1.000 1 A 28.133 1 ATOM 239 O OD1 . ASP 32 940 ? A 51.103 1.320 -13.580 1.000 1 A 28.133 1 ATOM 240 O OD2 . ASP 32 940 ? A 53.039 0.869 -14.504 1.000 1 A 28.133 1 ATOM 241 N N . ASN 33 941 ? A 48.916 4.442 -15.799 1.000 1 A 31.960 1 ATOM 242 C CA . ASN 33 941 ? A 49.314 5.845 -15.808 1.000 1 A 31.960 1 ATOM 243 C C . ASN 33 941 ? A 48.268 6.730 -15.136 1.000 1 A 31.960 1 ATOM 244 O O . ASN 33 941 ? A 47.077 6.625 -15.433 1.000 1 A 31.960 1 ATOM 245 C CB . ASN 33 941 ? A 49.571 6.321 -17.240 1.000 1 A 31.960 1 ATOM 246 C CG . ASN 33 941 ? A 50.983 6.029 -17.708 1.000 1 A 31.960 1 ATOM 247 O OD1 . ASN 33 941 ? A 51.625 5.089 -17.234 1.000 1 A 31.960 1 ATOM 248 N ND2 . ASN 33 941 ? A 51.475 6.833 -18.643 1.000 1 A 31.960 1 ATOM 249 N N . ALA 34 942 ? A 48.494 7.339 -13.927 1.000 1 A 33.840 1 ATOM 250 C CA . ALA 34 942 ? A 48.613 8.792 -13.831 1.000 1 A 33.840 1 ATOM 251 C C . ALA 34 942 ? A 47.944 9.315 -12.563 1.000 1 A 33.840 1 ATOM 252 O O . ALA 34 942 ? A 46.809 8.944 -12.255 1.000 1 A 33.840 1 ATOM 253 C CB . ALA 34 942 ? A 48.005 9.458 -15.063 1.000 1 A 33.840 1 ATOM 254 N N . LYS 35 943 ? A 48.642 9.571 -11.448 1.000 1 A 28.929 1 ATOM 255 C CA . LYS 35 943 ? A 49.068 10.833 -10.850 1.000 1 A 28.929 1 ATOM 256 C C . LYS 35 943 ? A 47.873 11.738 -10.564 1.000 1 A 28.929 1 ATOM 257 O O . LYS 35 943 ? A 47.150 12.129 -11.483 1.000 1 A 28.929 1 ATOM 258 C CB . LYS 35 943 ? A 50.062 11.552 -11.763 1.000 1 A 28.929 1 ATOM 259 C CG . LYS 35 943 ? A 51.209 12.224 -11.023 1.000 1 A 28.929 1 ATOM 260 C CD . LYS 35 943 ? A 52.239 12.795 -11.988 1.000 1 A 28.929 1 ATOM 261 C CE . LYS 35 943 ? A 53.435 13.382 -11.249 1.000 1 A 28.929 1 ATOM 262 N NZ . LYS 35 943 ? A 54.456 13.928 -12.193 1.000 1 A 28.929 1 ATOM 263 N N . CYS 36 944 ? A 47.335 11.716 -9.368 1.000 1 A 36.052 1 ATOM 264 C CA . CYS 36 944 ? A 46.856 12.941 -8.735 1.000 1 A 36.052 1 ATOM 265 C C . CYS 36 944 ? A 47.217 12.967 -7.255 1.000 1 A 36.052 1 ATOM 266 O O . CYS 36 944 ? A 46.893 12.035 -6.516 1.000 1 A 36.052 1 ATOM 267 C CB . CYS 36 944 ? A 45.343 13.075 -8.904 1.000 1 A 36.052 1 ATOM 268 S SG . CYS 36 944 ? A 44.796 14.762 -9.246 1.000 1 A 36.052 1 ATOM 269 N N . SER 37 945 ? A 48.433 13.466 -6.837 1.000 1 A 27.726 1 ATOM 270 C CA . SER 37 945 ? A 49.056 14.364 -5.870 1.000 1 A 27.726 1 ATOM 271 C C . SER 37 945 ? A 48.397 15.739 -5.888 1.000 1 A 27.726 1 ATOM 272 O O . SER 37 945 ? A 48.091 16.273 -6.956 1.000 1 A 27.726 1 ATOM 273 C CB . SER 37 945 ? A 50.553 14.503 -6.154 1.000 1 A 27.726 1 ATOM 274 O OG . SER 37 945 ? A 50.771 15.175 -7.382 1.000 1 A 27.726 1 ATOM 275 N N . ILE 38 946 ? A 47.643 16.080 -4.743 1.000 1 A 33.660 1 ATOM 276 C CA . ILE 38 946 ? A 47.682 17.407 -4.139 1.000 1 A 33.660 1 ATOM 277 C C . ILE 38 946 ? A 46.644 17.497 -3.023 1.000 1 A 33.660 1 ATOM 278 O O . ILE 38 946 ? A 45.471 17.177 -3.230 1.000 1 A 33.660 1 ATOM 279 C CB . ILE 38 946 ? A 47.437 18.514 -5.190 1.000 1 A 33.660 1 ATOM 280 C CG1 . ILE 38 946 ? A 48.561 18.518 -6.232 1.000 1 A 33.660 1 ATOM 281 C CG2 . ILE 38 946 ? A 47.312 19.882 -4.513 1.000 1 A 33.660 1 ATOM 282 C CD1 . ILE 38 946 ? A 48.308 19.449 -7.410 1.000 1 A 33.660 1 ATOM 283 N N . LYS 39 947 ? A 47.017 17.511 -1.735 1.000 1 A 29.587 1 ATOM 284 C CA . LYS 39 947 ? A 47.158 18.648 -0.830 1.000 1 A 29.587 1 ATOM 285 C C . LYS 39 947 ? A 45.888 18.860 -0.012 1.000 1 A 29.587 1 ATOM 286 O O . LYS 39 947 ? A 44.796 18.984 -0.571 1.000 1 A 29.587 1 ATOM 287 C CB . LYS 39 947 ? A 47.496 19.918 -1.613 1.000 1 A 29.587 1 ATOM 288 C CG . LYS 39 947 ? A 48.681 20.692 -1.055 1.000 1 A 29.587 1 ATOM 289 C CD . LYS 39 947 ? A 49.015 21.902 -1.918 1.000 1 A 29.587 1 ATOM 290 C CE . LYS 39 947 ? A 50.255 22.626 -1.412 1.000 1 A 29.587 1 ATOM 291 N NZ . LYS 39 947 ? A 50.603 23.797 -2.271 1.000 1 A 29.587 1 ATOM 292 N N . GLY 40 948 ? A 45.842 18.437 1.297 1.000 1 A 32.260 1 ATOM 293 C CA . GLY 40 948 ? A 45.406 19.413 2.283 1.000 1 A 32.260 1 ATOM 294 C C . GLY 40 948 ? A 44.804 18.781 3.524 1.000 1 A 32.260 1 ATOM 295 O O . GLY 40 948 ? A 43.954 17.894 3.425 1.000 1 A 32.260 1 ATOM 296 N N . GLY 41 949 ? A 45.561 18.645 4.610 1.000 1 A 32.691 1 ATOM 297 C CA . GLY 41 949 ? A 45.525 19.286 5.915 1.000 1 A 32.691 1 ATOM 298 C C . GLY 41 949 ? A 44.811 18.458 6.967 1.000 1 A 32.691 1 ATOM 299 O O . GLY 41 949 ? A 43.726 17.930 6.717 1.000 1 A 32.691 1 ATOM 300 N N . SER 42 950 ? A 45.499 17.856 7.917 1.000 1 A 30.672 1 ATOM 301 C CA . SER 42 950 ? A 45.736 18.164 9.323 1.000 1 A 30.672 1 ATOM 302 C C . SER 42 950 ? A 44.596 17.657 10.200 1.000 1 A 30.672 1 ATOM 303 O O . SER 42 950 ? A 43.424 17.898 9.905 1.000 1 A 30.672 1 ATOM 304 C CB . SER 42 950 ? A 45.910 19.671 9.520 1.000 1 A 30.672 1 ATOM 305 O OG . SER 42 950 ? A 45.053 20.147 10.543 1.000 1 A 30.672 1 ATOM 306 N N . ARG 43 951 ? A 44.821 16.614 10.981 1.000 1 A 32.256 1 ATOM 307 C CA . ARG 43 951 ? A 44.714 16.607 12.436 1.000 1 A 32.256 1 ATOM 308 C C . ARG 43 951 ? A 44.624 15.182 12.972 1.000 1 A 32.256 1 ATOM 309 O O . ARG 43 951 ? A 43.816 14.384 12.493 1.000 1 A 32.256 1 ATOM 310 C CB . ARG 43 951 ? A 43.497 17.416 12.889 1.000 1 A 32.256 1 ATOM 311 C CG . ARG 43 951 ? A 43.801 18.877 13.180 1.000 1 A 32.256 1 ATOM 312 C CD . ARG 43 951 ? A 42.635 19.568 13.874 1.000 1 A 32.256 1 ATOM 313 N NE . ARG 43 951 ? A 41.849 20.368 12.939 1.000 1 A 32.256 1 ATOM 314 C CZ . ARG 43 951 ? A 40.834 21.156 13.282 1.000 1 A 32.256 1 ATOM 315 N NH1 . ARG 43 951 ? A 40.461 21.266 14.552 1.000 1 A 32.256 1 ATOM 316 N NH2 . ARG 43 951 ? A 40.188 21.840 12.349 1.000 1 A 32.256 1 ATOM 317 N N . PHE 44 952 ? A 45.669 14.586 13.198 1.000 1 A 27.094 1 ATOM 318 C CA . PHE 44 952 ? A 46.136 13.911 14.403 1.000 1 A 27.094 1 ATOM 319 C C . PHE 44 952 ? A 45.207 14.197 15.578 1.000 1 A 27.094 1 ATOM 320 O O . PHE 44 952 ? A 44.895 15.355 15.860 1.000 1 A 27.094 1 ATOM 321 C CB . PHE 44 952 ? A 47.564 14.345 14.745 1.000 1 A 27.094 1 ATOM 322 C CG . PHE 44 952 ? A 48.626 13.568 14.015 1.000 1 A 27.094 1 ATOM 323 C CD1 . PHE 44 952 ? A 48.993 12.296 14.439 1.000 1 A 27.094 1 ATOM 324 C CD2 . PHE 44 952 ? A 49.258 14.110 12.903 1.000 1 A 27.094 1 ATOM 325 C CE1 . PHE 44 952 ? A 49.975 11.575 13.764 1.000 1 A 27.094 1 ATOM 326 C CE2 . PHE 44 952 ? A 50.241 13.395 12.224 1.000 1 A 27.094 1 ATOM 327 C CZ . PHE 44 952 ? A 50.598 12.128 12.657 1.000 1 A 27.094 1 ATOM 328 N N . CYS 45 953 ? A 44.391 13.243 16.055 1.000 1 A 34.385 1 ATOM 329 C CA . CYS 45 953 ? A 44.088 13.025 17.465 1.000 1 A 34.385 1 ATOM 330 C C . CYS 45 953 ? A 44.090 11.539 17.801 1.000 1 A 34.385 1 ATOM 331 O O . CYS 45 953 ? A 43.388 10.753 17.163 1.000 1 A 34.385 1 ATOM 332 C CB . CYS 45 953 ? A 42.733 13.636 17.822 1.000 1 A 34.385 1 ATOM 333 S SG . CYS 45 953 ? A 42.792 14.768 19.228 1.000 1 A 34.385 1 ATOM 334 N N . LEU 46 954 ? A 45.212 10.959 18.128 1.000 1 A 24.506 1 ATOM 335 C CA . LEU 46 954 ? A 45.688 9.995 19.114 1.000 1 A 24.506 1 ATOM 336 C C . LEU 46 954 ? A 45.032 10.235 20.470 1.000 1 A 24.506 1 ATOM 337 O O . LEU 46 954 ? A 44.971 11.373 20.942 1.000 1 A 24.506 1 ATOM 338 C CB . LEU 46 954 ? A 47.211 10.074 19.250 1.000 1 A 24.506 1 ATOM 339 C CG . LEU 46 954 ? A 48.025 9.350 18.177 1.000 1 A 24.506 1 ATOM 340 C CD1 . LEU 46 954 ? A 49.396 10.002 18.022 1.000 1 A 24.506 1 ATOM 341 C CD2 . LEU 46 954 ? A 48.167 7.871 18.518 1.000 1 A 24.506 1 ATOM 342 N N . SER 47 955 ? A 44.261 9.322 21.142 1.000 1 A 27.010 1 ATOM 343 C CA . SER 47 955 ? A 44.479 8.665 22.426 1.000 1 A 27.010 1 ATOM 344 C C . SER 47 955 ? A 43.231 8.731 23.300 1.000 1 A 27.010 1 ATOM 345 O O . SER 47 955 ? A 42.643 9.800 23.473 1.000 1 A 27.010 1 ATOM 346 C CB . SER 47 955 ? A 45.660 9.302 23.161 1.000 1 A 27.010 1 ATOM 347 O OG . SER 47 955 ? A 45.813 8.737 24.451 1.000 1 A 27.010 1 ATOM 348 N N . SER 48 956 ? A 42.504 7.625 23.552 1.000 1 A 34.934 1 ATOM 349 C CA . SER 48 956 ? A 42.180 7.372 24.952 1.000 1 A 34.934 1 ATOM 350 C C . SER 48 956 ? A 41.761 5.922 25.169 1.000 1 A 34.934 1 ATOM 351 O O . SER 48 956 ? A 40.932 5.392 24.426 1.000 1 A 34.934 1 ATOM 352 C CB . SER 48 956 ? A 41.066 8.308 25.423 1.000 1 A 34.934 1 ATOM 353 O OG . SER 48 956 ? A 39.934 7.570 25.848 1.000 1 A 34.934 1 ATOM 354 N N . GLN 49 957 ? A 42.681 4.960 25.357 1.000 1 A 28.908 1 ATOM 355 C CA . GLN 49 957 ? A 42.921 3.889 26.319 1.000 1 A 28.908 1 ATOM 356 C C . GLN 49 957 ? A 42.132 4.119 27.606 1.000 1 A 28.908 1 ATOM 357 O O . GLN 49 957 ? A 42.366 5.098 28.317 1.000 1 A 28.908 1 ATOM 358 C CB . GLN 49 957 ? A 44.413 3.772 26.632 1.000 1 A 28.908 1 ATOM 359 C CG . GLN 49 957 ? A 45.236 3.184 25.493 1.000 1 A 28.908 1 ATOM 360 C CD . GLN 49 957 ? A 46.648 2.822 25.915 1.000 1 A 28.908 1 ATOM 361 O OE1 . GLN 49 957 ? A 46.858 2.212 26.968 1.000 1 A 28.908 1 ATOM 362 N NE2 . GLN 49 957 ? A 47.625 3.197 25.097 1.000 1 A 28.908 1 ATOM 363 N N . PHE 50 958 ? A 40.923 3.783 27.674 1.000 1 A 31.093 1 ATOM 364 C CA . PHE 50 958 ? A 40.181 3.576 28.912 1.000 1 A 31.093 1 ATOM 365 C C . PHE 50 958 ? A 40.064 2.090 29.231 1.000 1 A 31.093 1 ATOM 366 O O . PHE 50 958 ? A 39.566 1.312 28.415 1.000 1 A 31.093 1 ATOM 367 C CB . PHE 50 958 ? A 38.787 4.203 28.816 1.000 1 A 31.093 1 ATOM 368 C CG . PHE 50 958 ? A 38.226 4.642 30.142 1.000 1 A 31.093 1 ATOM 369 C CD1 . PHE 50 958 ? A 37.276 3.870 30.800 1.000 1 A 31.093 1 ATOM 370 C CD2 . PHE 50 958 ? A 38.649 5.826 30.731 1.000 1 A 31.093 1 ATOM 371 C CE1 . PHE 50 958 ? A 36.755 4.274 32.027 1.000 1 A 31.093 1 ATOM 372 C CE2 . PHE 50 958 ? A 38.133 6.236 31.957 1.000 1 A 31.093 1 ATOM 373 C CZ . PHE 50 958 ? A 37.185 5.458 32.603 1.000 1 A 31.093 1 ATOM 374 N N . ARG 51 959 ? A 41.106 1.473 29.834 1.000 1 A 27.072 1 ATOM 375 C CA . ARG 51 959 ? A 41.296 0.509 30.913 1.000 1 A 27.072 1 ATOM 376 C C . ARG 51 959 ? A 40.432 0.859 32.120 1.000 1 A 27.072 1 ATOM 377 O O . ARG 51 959 ? A 40.525 1.965 32.656 1.000 1 A 27.072 1 ATOM 378 C CB . ARG 51 959 ? A 42.769 0.446 31.324 1.000 1 A 27.072 1 ATOM 379 C CG . ARG 51 959 ? A 43.132 -0.795 32.125 1.000 1 A 27.072 1 ATOM 380 C CD . ARG 51 959 ? A 44.536 -0.700 32.706 1.000 1 A 27.072 1 ATOM 381 N NE . ARG 51 959 ? A 45.544 -1.165 31.759 1.000 1 A 27.072 1 ATOM 382 C CZ . ARG 51 959 ? A 46.414 -2.143 31.997 1.000 1 A 27.072 1 ATOM 383 N NH1 . ARG 51 959 ? A 46.414 -2.781 33.162 1.000 1 A 27.072 1 ATOM 384 N NH2 . ARG 51 959 ? A 47.289 -2.487 31.064 1.000 1 A 27.072 1 ATOM 385 N N . GLY 52 960 ? A 39.251 0.256 32.378 1.000 1 A 33.089 1 ATOM 386 C CA . GLY 52 960 ? A 38.743 -0.103 33.693 1.000 1 A 33.089 1 ATOM 387 C C . GLY 52 960 ? A 37.867 -1.342 33.675 1.000 1 A 33.089 1 ATOM 388 O O . GLY 52 960 ? A 37.061 -1.525 32.761 1.000 1 A 33.089 1 ATOM 389 N N . ASN 53 961 ? A 38.331 -2.529 33.932 1.000 1 A 26.585 1 ATOM 390 C CA . ASN 53 961 ? A 38.043 -3.655 34.814 1.000 1 A 26.585 1 ATOM 391 C C . ASN 53 961 ? A 37.068 -3.264 35.922 1.000 1 A 26.585 1 ATOM 392 O O . ASN 53 961 ? A 37.220 -2.213 36.546 1.000 1 A 26.585 1 ATOM 393 C CB . ASN 53 961 ? A 39.336 -4.210 35.416 1.000 1 A 26.585 1 ATOM 394 C CG . ASN 53 961 ? A 40.554 -3.391 35.037 1.000 1 A 26.585 1 ATOM 395 O OD1 . ASN 53 961 ? A 40.445 -2.377 34.343 1.000 1 A 26.585 1 ATOM 396 N ND2 . ASN 53 961 ? A 41.724 -3.825 35.491 1.000 1 A 26.585 1 ATOM 397 N N . GLU 54 962 ? A 35.777 -3.808 36.019 1.000 1 A 32.410 1 ATOM 398 C CA . GLU 54 962 ? A 35.126 -4.385 37.191 1.000 1 A 32.410 1 ATOM 399 C C . GLU 54 962 ? A 33.669 -4.730 36.900 1.000 1 A 32.410 1 ATOM 400 O O . GLU 54 962 ? A 32.936 -3.920 36.327 1.000 1 A 32.410 1 ATOM 401 C CB . GLU 54 962 ? A 35.212 -3.425 38.381 1.000 1 A 32.410 1 ATOM 402 C CG . GLU 54 962 ? A 36.533 -3.496 39.134 1.000 1 A 32.410 1 ATOM 403 C CD . GLU 54 962 ? A 36.559 -2.627 40.381 1.000 1 A 32.410 1 ATOM 404 O OE1 . GLU 54 962 ? A 37.550 -2.690 41.144 1.000 1 A 32.410 1 ATOM 405 O OE2 . GLU 54 962 ? A 35.581 -1.877 40.597 1.000 1 A 32.410 1 ATOM 406 N N . THR 55 963 ? A 33.276 -5.985 36.649 1.000 1 A 26.699 1 ATOM 407 C CA . THR 55 963 ? A 32.410 -6.929 37.347 1.000 1 A 26.699 1 ATOM 408 C C . THR 55 963 ? A 31.103 -6.260 37.761 1.000 1 A 26.699 1 ATOM 409 O O . THR 55 963 ? A 31.112 -5.266 38.490 1.000 1 A 26.699 1 ATOM 410 C CB . THR 55 963 ? A 33.108 -7.513 38.589 1.000 1 A 26.699 1 ATOM 411 O OG1 . THR 55 963 ? A 34.444 -7.898 38.244 1.000 1 A 26.699 1 ATOM 412 C CG2 . THR 55 963 ? A 32.360 -8.732 39.118 1.000 1 A 26.699 1 ATOM 413 N N . GLY 56 964 ? A 30.014 -6.436 37.080 1.000 1 A 31.976 1 ATOM 414 C CA . GLY 56 964 ? A 28.706 -6.694 37.663 1.000 1 A 31.976 1 ATOM 415 C C . GLY 56 964 ? A 27.631 -6.951 36.624 1.000 1 A 31.976 1 ATOM 416 O O . GLY 56 964 ? A 27.564 -6.259 35.607 1.000 1 A 31.976 1 ATOM 417 N N . LEU 57 965 ? A 27.340 -8.165 36.212 1.000 1 A 23.743 1 ATOM 418 C CA . LEU 57 965 ? A 26.173 -9.037 36.303 1.000 1 A 23.743 1 ATOM 419 C C . LEU 57 965 ? A 24.917 -8.232 36.617 1.000 1 A 23.743 1 ATOM 420 O O . LEU 57 965 ? A 24.905 -7.432 37.555 1.000 1 A 23.743 1 ATOM 421 C CB . LEU 57 965 ? A 26.388 -10.109 37.374 1.000 1 A 23.743 1 ATOM 422 C CG . LEU 57 965 ? A 27.240 -11.312 36.969 1.000 1 A 23.743 1 ATOM 423 C CD1 . LEU 57 965 ? A 27.764 -12.032 38.207 1.000 1 A 23.743 1 ATOM 424 C CD2 . LEU 57 965 ? A 26.437 -12.265 36.089 1.000 1 A 23.743 1 ATOM 425 N N . ILE 58 966 ? A 23.941 -7.949 35.633 1.000 1 A 26.815 1 ATOM 426 C CA . ILE 58 966 ? A 22.522 -8.255 35.483 1.000 1 A 26.815 1 ATOM 427 C C . ILE 58 966 ? A 21.761 -6.990 35.091 1.000 1 A 26.815 1 ATOM 428 O O . ILE 58 966 ? A 21.863 -5.963 35.766 1.000 1 A 26.815 1 ATOM 429 C CB . ILE 58 966 ? A 21.933 -8.856 36.778 1.000 1 A 26.815 1 ATOM 430 C CG1 . ILE 58 966 ? A 22.724 -10.101 37.197 1.000 1 A 26.815 1 ATOM 431 C CG2 . ILE 58 966 ? A 20.449 -9.186 36.594 1.000 1 A 26.815 1 ATOM 432 C CD1 . ILE 58 966 ? A 22.183 -10.787 38.444 1.000 1 A 26.815 1 ATOM 433 N N . THR 59 967 ? A 21.338 -6.790 33.788 1.000 1 A 30.671 1 ATOM 434 C CA . THR 59 967 ? A 19.978 -6.643 33.283 1.000 1 A 30.671 1 ATOM 435 C C . THR 59 967 ? A 19.981 -6.454 31.768 1.000 1 A 30.671 1 ATOM 436 O O . THR 59 967 ? A 20.695 -5.596 31.246 1.000 1 A 30.671 1 ATOM 437 C CB . THR 59 967 ? A 19.259 -5.456 33.949 1.000 1 A 30.671 1 ATOM 438 O OG1 . THR 59 967 ? A 19.645 -5.384 35.327 1.000 1 A 30.671 1 ATOM 439 C CG2 . THR 59 967 ? A 17.744 -5.613 33.865 1.000 1 A 30.671 1 ATOM 440 N N . PRO 60 968 ? A 19.547 -7.432 30.876 1.000 1 A 30.056 1 ATOM 441 C CA . PRO 60 968 ? A 19.370 -7.153 29.449 1.000 1 A 30.056 1 ATOM 442 C C . PRO 60 968 ? A 18.069 -6.411 29.150 1.000 1 A 30.056 1 ATOM 443 O O . PRO 60 968 ? A 17.007 -6.797 29.644 1.000 1 A 30.056 1 ATOM 444 C CB . PRO 60 968 ? A 19.363 -8.546 28.815 1.000 1 A 30.056 1 ATOM 445 C CG . PRO 60 968 ? A 18.855 -9.452 29.890 1.000 1 A 30.056 1 ATOM 446 C CD . PRO 60 968 ? A 18.638 -8.641 31.134 1.000 1 A 30.056 1 ATOM 447 N N . ASN 61 969 ? A 17.948 -5.127 29.389 1.000 1 A 31.580 1 ATOM 448 C CA . ASN 61 969 ? A 16.964 -4.204 28.834 1.000 1 A 31.580 1 ATOM 449 C C . ASN 61 969 ? A 17.583 -3.294 27.778 1.000 1 A 31.580 1 ATOM 450 O O . ASN 61 969 ? A 18.567 -2.602 28.047 1.000 1 A 31.580 1 ATOM 451 C CB . ASN 61 969 ? A 16.325 -3.370 29.946 1.000 1 A 31.580 1 ATOM 452 C CG . ASN 61 969 ? A 14.927 -2.901 29.594 1.000 1 A 31.580 1 ATOM 453 O OD1 . ASN 61 969 ? A 14.485 -3.032 28.449 1.000 1 A 31.580 1 ATOM 454 N ND2 . ASN 61 969 ? A 14.220 -2.353 30.575 1.000 1 A 31.580 1 ATOM 455 N N . LYS 62 970 ? A 17.527 -3.655 26.457 1.000 1 A 31.406 1 ATOM 456 C CA . LYS 62 970 ? A 17.215 -2.533 25.576 1.000 1 A 31.406 1 ATOM 457 C C . LYS 62 970 ? A 16.943 -3.011 24.152 1.000 1 A 31.406 1 ATOM 458 O O . LYS 62 970 ? A 17.734 -3.766 23.583 1.000 1 A 31.406 1 ATOM 459 C CB . LYS 62 970 ? A 18.358 -1.516 25.577 1.000 1 A 31.406 1 ATOM 460 C CG . LYS 62 970 ? A 18.385 -0.618 26.805 1.000 1 A 31.406 1 ATOM 461 C CD . LYS 62 970 ? A 19.344 0.551 26.621 1.000 1 A 31.406 1 ATOM 462 C CE . LYS 62 970 ? A 19.402 1.429 27.864 1.000 1 A 31.406 1 ATOM 463 N NZ . LYS 62 970 ? A 20.348 2.572 27.692 1.000 1 A 31.406 1 ATOM 464 N N . HIS 63 971 ? A 15.679 -3.429 23.823 1.000 1 A 30.953 1 ATOM 465 C CA . HIS 63 971 ? A 14.837 -2.978 22.721 1.000 1 A 30.953 1 ATOM 466 C C . HIS 63 971 ? A 15.675 -2.372 21.600 1.000 1 A 30.953 1 ATOM 467 O O . HIS 63 971 ? A 16.304 -1.328 21.784 1.000 1 A 30.953 1 ATOM 468 C CB . HIS 63 971 ? A 13.808 -1.960 23.215 1.000 1 A 30.953 1 ATOM 469 C CG . HIS 63 971 ? A 12.725 -2.561 24.054 1.000 1 A 30.953 1 ATOM 470 N ND1 . HIS 63 971 ? A 12.942 -3.010 25.339 1.000 1 A 30.953 1 ATOM 471 C CD2 . HIS 63 971 ? A 11.416 -2.783 23.791 1.000 1 A 30.953 1 ATOM 472 C CE1 . HIS 63 971 ? A 11.810 -3.485 25.830 1.000 1 A 30.953 1 ATOM 473 N NE2 . HIS 63 971 ? A 10.868 -3.359 24.911 1.000 1 A 30.953 1 ATOM 474 N N . GLY 64 972 ? A 16.432 -3.138 20.920 1.000 1 A 31.184 1 ATOM 475 C CA . GLY 64 972 ? A 17.019 -3.164 19.590 1.000 1 A 31.184 1 ATOM 476 C C . GLY 64 972 ? A 16.252 -2.329 18.582 1.000 1 A 31.184 1 ATOM 477 O O . GLY 64 972 ? A 15.020 -2.346 18.563 1.000 1 A 31.184 1 ATOM 478 N N . LEU 65 973 ? A 16.241 -0.989 18.620 1.000 1 A 28.546 1 ATOM 479 C CA . LEU 65 973 ? A 16.151 0.054 17.604 1.000 1 A 28.546 1 ATOM 480 C C . LEU 65 973 ? A 15.505 -0.482 16.331 1.000 1 A 28.546 1 ATOM 481 O O . LEU 65 973 ? A 16.040 -1.392 15.694 1.000 1 A 28.546 1 ATOM 482 C CB . LEU 65 973 ? A 17.540 0.617 17.288 1.000 1 A 28.546 1 ATOM 483 C CG . LEU 65 973 ? A 18.194 1.461 18.383 1.000 1 A 28.546 1 ATOM 484 C CD1 . LEU 65 973 ? A 19.683 1.631 18.102 1.000 1 A 28.546 1 ATOM 485 C CD2 . LEU 65 973 ? A 17.507 2.818 18.495 1.000 1 A 28.546 1 ATOM 486 N N . LEU 66 974 ? A 14.254 -0.887 16.271 1.000 1 A 33.632 1 ATOM 487 C CA . LEU 66 974 ? A 13.367 -1.162 15.146 1.000 1 A 33.632 1 ATOM 488 C C . LEU 66 974 ? A 13.593 -0.161 14.018 1.000 1 A 33.632 1 ATOM 489 O O . LEU 66 974 ? A 13.480 1.049 14.224 1.000 1 A 33.632 1 ATOM 490 C CB . LEU 66 974 ? A 11.904 -1.121 15.595 1.000 1 A 33.632 1 ATOM 491 C CG . LEU 66 974 ? A 11.151 -2.452 15.578 1.000 1 A 33.632 1 ATOM 492 C CD1 . LEU 66 974 ? A 10.296 -2.594 16.832 1.000 1 A 33.632 1 ATOM 493 C CD2 . LEU 66 974 ? A 10.292 -2.565 14.323 1.000 1 A 33.632 1 ATOM 494 N N . GLN 67 975 ? A 14.666 -0.118 13.353 1.000 1 A 43.338 1 ATOM 495 C CA . GLN 67 975 ? A 14.980 0.588 12.115 1.000 1 A 43.338 1 ATOM 496 C C . GLN 67 975 ? A 13.842 0.463 11.106 1.000 1 A 43.338 1 ATOM 497 O O . GLN 67 975 ? A 13.253 -0.609 10.956 1.000 1 A 43.338 1 ATOM 498 C CB . GLN 67 975 ? A 16.280 0.055 11.509 1.000 1 A 43.338 1 ATOM 499 C CG . GLN 67 975 ? A 17.535 0.702 12.079 1.000 1 A 43.338 1 ATOM 500 C CD . GLN 67 975 ? A 18.808 0.171 11.447 1.000 1 A 43.338 1 ATOM 501 O OE1 . GLN 67 975 ? A 18.816 -0.231 10.279 1.000 1 A 43.338 1 ATOM 502 N NE2 . GLN 67 975 ? A 19.893 0.165 12.214 1.000 1 A 43.338 1 ATOM 503 N N . ASN 68 976 ? A 12.816 1.300 11.084 1.000 1 A 50.080 1 ATOM 504 C CA . ASN 68 976 ? A 11.757 1.463 10.094 1.000 1 A 50.080 1 ATOM 505 C C . ASN 68 976 ? A 12.208 1.010 8.709 1.000 1 A 50.080 1 ATOM 506 O O . ASN 68 976 ? A 13.161 1.558 8.152 1.000 1 A 50.080 1 ATOM 507 C CB . ASN 68 976 ? A 11.284 2.918 10.049 1.000 1 A 50.080 1 ATOM 508 C CG . ASN 68 976 ? A 10.133 3.129 9.085 1.000 1 A 50.080 1 ATOM 509 O OD1 . ASN 68 976 ? A 9.743 2.214 8.355 1.000 1 A 50.080 1 ATOM 510 N ND2 . ASN 68 976 ? A 9.581 4.336 9.076 1.000 1 A 50.080 1 ATOM 511 N N . PRO 69 977 ? A 11.781 -0.163 8.218 1.000 1 A 58.375 1 ATOM 512 C CA . PRO 69 977 ? A 12.187 -0.715 6.923 1.000 1 A 58.375 1 ATOM 513 C C . PRO 69 977 ? A 11.859 0.215 5.757 1.000 1 A 58.375 1 ATOM 514 O O . PRO 69 977 ? A 12.327 -0.005 4.636 1.000 1 A 58.375 1 ATOM 515 C CB . PRO 69 977 ? A 11.386 -2.015 6.826 1.000 1 A 58.375 1 ATOM 516 C CG . PRO 69 977 ? A 10.241 -1.830 7.769 1.000 1 A 58.375 1 ATOM 517 C CD . PRO 69 977 ? A 10.623 -0.792 8.785 1.000 1 A 58.375 1 ATOM 518 N N . TYR 70 978 ? A 11.182 1.390 5.984 1.000 1 A 54.789 1 ATOM 519 C CA . TYR 70 978 ? A 10.669 2.209 4.891 1.000 1 A 54.789 1 ATOM 520 C C . TYR 70 978 ? A 11.471 3.497 4.752 1.000 1 A 54.789 1 ATOM 521 O O . TYR 70 978 ? A 11.040 4.435 4.077 1.000 1 A 54.789 1 ATOM 522 C CB . TYR 70 978 ? A 9.189 2.537 5.113 1.000 1 A 54.789 1 ATOM 523 C CG . TYR 70 978 ? A 8.302 1.319 5.187 1.000 1 A 54.789 1 ATOM 524 C CD1 . TYR 70 978 ? A 7.994 0.587 4.042 1.000 1 A 54.789 1 ATOM 525 C CD2 . TYR 70 978 ? A 7.769 0.897 6.400 1.000 1 A 54.789 1 ATOM 526 C CE1 . TYR 70 978 ? A 7.174 -0.535 4.105 1.000 1 A 54.789 1 ATOM 527 C CE2 . TYR 70 978 ? A 6.949 -0.224 6.475 1.000 1 A 54.789 1 ATOM 528 C CZ . TYR 70 978 ? A 6.658 -0.933 5.324 1.000 1 A 54.789 1 ATOM 529 O OH . TYR 70 978 ? A 5.847 -2.043 5.392 1.000 1 A 54.789 1 ATOM 530 N N . ARG 71 979 ? A 12.799 3.569 4.827 1.000 1 A 48.710 1 ATOM 531 C CA . ARG 71 979 ? A 13.577 4.796 4.685 1.000 1 A 48.710 1 ATOM 532 C C . ARG 71 979 ? A 13.563 5.289 3.242 1.000 1 A 48.710 1 ATOM 533 O O . ARG 71 979 ? A 13.820 4.518 2.314 1.000 1 A 48.710 1 ATOM 534 C CB . ARG 71 979 ? A 15.019 4.575 5.149 1.000 1 A 48.710 1 ATOM 535 C CG . ARG 71 979 ? A 15.662 5.806 5.767 1.000 1 A 48.710 1 ATOM 536 C CD . ARG 71 979 ? A 17.139 5.584 6.061 1.000 1 A 48.710 1 ATOM 537 N NE . ARG 71 979 ? A 17.566 6.307 7.255 1.000 1 A 48.710 1 ATOM 538 C CZ . ARG 71 979 ? A 18.800 6.290 7.752 1.000 1 A 48.710 1 ATOM 539 N NH1 . ARG 71 979 ? A 19.757 5.581 7.164 1.000 1 A 48.710 1 ATOM 540 N NH2 . ARG 71 979 ? A 19.079 6.986 8.844 1.000 1 A 48.710 1 ATOM 541 N N . ILE 72 980 ? A 12.816 6.381 2.939 1.000 1 A 47.691 1 ATOM 542 C CA . ILE 72 980 ? A 12.796 7.063 1.650 1.000 1 A 47.691 1 ATOM 543 C C . ILE 72 980 ? A 13.768 8.240 1.673 1.000 1 A 47.691 1 ATOM 544 O O . ILE 72 980 ? A 13.763 9.039 2.613 1.000 1 A 47.691 1 ATOM 545 C CB . ILE 72 980 ? A 11.374 7.550 1.289 1.000 1 A 47.691 1 ATOM 546 C CG1 . ILE 72 980 ? A 10.395 6.370 1.271 1.000 1 A 47.691 1 ATOM 547 C CG2 . ILE 72 980 ? A 11.378 8.280 -0.057 1.000 1 A 47.691 1 ATOM 548 C CD1 . ILE 72 980 ? A 8.930 6.783 1.227 1.000 1 A 47.691 1 ATOM 549 N N . PRO 73 981 ? A 14.909 8.282 0.821 1.000 1 A 41.171 1 ATOM 550 C CA . PRO 73 981 ? A 15.732 9.492 0.765 1.000 1 A 41.171 1 ATOM 551 C C . PRO 73 981 ? A 14.911 10.753 0.505 1.000 1 A 41.171 1 ATOM 552 O O . PRO 73 981 ? A 13.885 10.696 -0.178 1.000 1 A 41.171 1 ATOM 553 C CB . PRO 73 981 ? A 16.689 9.214 -0.396 1.000 1 A 41.171 1 ATOM 554 C CG . PRO 73 981 ? A 16.450 7.783 -0.755 1.000 1 A 41.171 1 ATOM 555 C CD . PRO 73 981 ? A 15.169 7.338 -0.109 1.000 1 A 41.171 1 ATOM 556 N N . PRO 74 982 ? A 15.155 11.924 1.301 1.000 1 A 30.627 1 ATOM 557 C CA . PRO 74 982 ? A 14.474 13.218 1.216 1.000 1 A 30.627 1 ATOM 558 C C . PRO 74 982 ? A 14.593 13.859 -0.164 1.000 1 A 30.627 1 ATOM 559 O O . PRO 74 982 ? A 15.663 13.818 -0.778 1.000 1 A 30.627 1 ATOM 560 C CB . PRO 74 982 ? A 15.189 14.063 2.274 1.000 1 A 30.627 1 ATOM 561 C CG . PRO 74 982 ? A 16.361 13.237 2.694 1.000 1 A 30.627 1 ATOM 562 C CD . PRO 74 982 ? A 16.266 11.897 2.022 1.000 1 A 30.627 1 ATOM 563 N N . LEU 75 983 ? A 13.486 13.841 -1.090 1.000 1 A 35.100 1 ATOM 564 C CA . LEU 75 983 ? A 13.640 14.704 -2.256 1.000 1 A 35.100 1 ATOM 565 C C . LEU 75 983 ? A 12.318 15.374 -2.615 1.000 1 A 35.100 1 ATOM 566 O O . LEU 75 983 ? A 11.252 14.770 -2.473 1.000 1 A 35.100 1 ATOM 567 C CB . LEU 75 983 ? A 14.159 13.901 -3.452 1.000 1 A 35.100 1 ATOM 568 C CG . LEU 75 983 ? A 15.576 13.339 -3.327 1.000 1 A 35.100 1 ATOM 569 C CD1 . LEU 75 983 ? A 15.817 12.269 -4.386 1.000 1 A 35.100 1 ATOM 570 C CD2 . LEU 75 983 ? A 16.607 14.456 -3.444 1.000 1 A 35.100 1 ATOM 571 N N . PHE 76 984 ? A 12.280 16.720 -3.073 1.000 1 A 27.101 1 ATOM 572 C CA . PHE 76 984 ? A 11.652 17.987 -3.427 1.000 1 A 27.101 1 ATOM 573 C C . PHE 76 984 ? A 10.243 17.763 -3.962 1.000 1 A 27.101 1 ATOM 574 O O . PHE 76 984 ? A 10.010 16.836 -4.741 1.000 1 A 27.101 1 ATOM 575 C CB . PHE 76 984 ? A 12.495 18.736 -4.464 1.000 1 A 27.101 1 ATOM 576 C CG . PHE 76 984 ? A 13.858 19.133 -3.967 1.000 1 A 27.101 1 ATOM 577 C CD1 . PHE 76 984 ? A 14.020 20.249 -3.155 1.000 1 A 27.101 1 ATOM 578 C CD2 . PHE 76 984 ? A 14.980 18.389 -4.311 1.000 1 A 27.101 1 ATOM 579 C CE1 . PHE 76 984 ? A 15.281 20.618 -2.693 1.000 1 A 27.101 1 ATOM 580 C CE2 . PHE 76 984 ? A 16.243 18.753 -3.854 1.000 1 A 27.101 1 ATOM 581 C CZ . PHE 76 984 ? A 16.391 19.868 -3.045 1.000 1 A 27.101 1 ATOM 582 N N . PRO 77 985 ? A 9.261 18.514 -3.381 1.000 1 A 31.761 1 ATOM 583 C CA . PRO 77 985 ? A 7.826 18.492 -3.674 1.000 1 A 31.761 1 ATOM 584 C C . PRO 77 985 ? A 7.507 18.954 -5.094 1.000 1 A 31.761 1 ATOM 585 O O . PRO 77 985 ? A 8.141 19.882 -5.602 1.000 1 A 31.761 1 ATOM 586 C CB . PRO 77 985 ? A 7.240 19.458 -2.641 1.000 1 A 31.761 1 ATOM 587 C CG . PRO 77 985 ? A 8.422 19.963 -1.877 1.000 1 A 31.761 1 ATOM 588 C CD . PRO 77 985 ? A 9.669 19.417 -2.512 1.000 1 A 31.761 1 ATOM 589 N N . ILE 78 986 ? A 6.916 18.165 -6.061 1.000 1 A 32.771 1 ATOM 590 C CA . ILE 78 986 ? A 6.288 18.663 -7.279 1.000 1 A 32.771 1 ATOM 591 C C . ILE 78 986 ? A 4.769 18.624 -7.130 1.000 1 A 32.771 1 ATOM 592 O O . ILE 78 986 ? A 4.213 17.643 -6.632 1.000 1 A 32.771 1 ATOM 593 C CB . ILE 78 986 ? A 6.727 17.847 -8.516 1.000 1 A 32.771 1 ATOM 594 C CG1 . ILE 78 986 ? A 8.232 18.011 -8.758 1.000 1 A 32.771 1 ATOM 595 C CG2 . ILE 78 986 ? A 5.925 18.266 -9.751 1.000 1 A 32.771 1 ATOM 596 C CD1 . ILE 78 986 ? A 8.805 17.033 -9.774 1.000 1 A 32.771 1 ATOM 597 N N . LYS 79 987 ? A 4.027 19.732 -7.126 1.000 1 A 27.580 1 ATOM 598 C CA . LYS 79 987 ? A 2.667 20.261 -7.159 1.000 1 A 27.580 1 ATOM 599 C C . LYS 79 987 ? A 1.999 19.976 -8.501 1.000 1 A 27.580 1 ATOM 600 O O . LYS 79 987 ? A 2.563 20.272 -9.556 1.000 1 A 27.580 1 ATOM 601 C CB . LYS 79 987 ? A 2.669 21.766 -6.884 1.000 1 A 27.580 1 ATOM 602 C CG . LYS 79 987 ? A 2.763 22.125 -5.408 1.000 1 A 27.580 1 ATOM 603 C CD . LYS 79 987 ? A 2.658 23.629 -5.191 1.000 1 A 27.580 1 ATOM 604 C CE . LYS 79 987 ? A 2.892 24.002 -3.733 1.000 1 A 27.580 1 ATOM 605 N NZ . LYS 79 987 ? A 2.754 25.472 -3.508 1.000 1 A 27.580 1 ATOM 606 N N . SER 80 988 ? A 1.308 18.820 -8.717 1.000 1 A 29.827 1 ATOM 607 C CA . SER 80 988 ? A 0.237 18.932 -9.702 1.000 1 A 29.827 1 ATOM 608 C C . SER 80 988 ? A -1.018 18.200 -9.240 1.000 1 A 29.827 1 ATOM 609 O O . SER 80 988 ? A -0.942 17.063 -8.770 1.000 1 A 29.827 1 ATOM 610 C CB . SER 80 988 ? A 0.692 18.380 -11.053 1.000 1 A 29.827 1 ATOM 611 O OG . SER 80 988 ? A 0.900 16.980 -10.980 1.000 1 A 29.827 1 ATOM 612 N N . PHE 81 989 ? A -2.059 18.864 -8.551 1.000 1 A 27.990 1 ATOM 613 C CA . PHE 81 989 ? A -3.421 18.413 -8.294 1.000 1 A 27.990 1 ATOM 614 C C . PHE 81 989 ? A -4.395 19.044 -9.282 1.000 1 A 27.990 1 ATOM 615 O O . PHE 81 989 ? A -4.293 20.233 -9.590 1.000 1 A 27.990 1 ATOM 616 C CB . PHE 81 989 ? A -3.839 18.748 -6.859 1.000 1 A 27.990 1 ATOM 617 C CG . PHE 81 989 ? A -3.093 17.966 -5.812 1.000 1 A 27.990 1 ATOM 618 C CD1 . PHE 81 989 ? A -3.513 16.694 -5.444 1.000 1 A 27.990 1 ATOM 619 C CD2 . PHE 81 989 ? A -1.971 18.504 -5.194 1.000 1 A 27.990 1 ATOM 620 C CE1 . PHE 81 989 ? A -2.824 15.968 -4.475 1.000 1 A 27.990 1 ATOM 621 C CE2 . PHE 81 989 ? A -1.278 17.785 -4.225 1.000 1 A 27.990 1 ATOM 622 C CZ . PHE 81 989 ? A -1.707 16.517 -3.866 1.000 1 A 27.990 1 ATOM 623 N N . VAL 82 990 ? A -4.824 18.315 -10.387 1.000 1 A 26.938 1 ATOM 624 C CA . VAL 82 990 ? A -5.951 18.726 -11.219 1.000 1 A 26.938 1 ATOM 625 C C . VAL 82 990 ? A -7.255 18.556 -10.442 1.000 1 A 26.938 1 ATOM 626 O O . VAL 82 990 ? A -7.490 17.510 -9.833 1.000 1 A 26.938 1 ATOM 627 C CB . VAL 82 990 ? A -6.007 17.921 -12.537 1.000 1 A 26.938 1 ATOM 628 C CG1 . VAL 82 990 ? A -7.255 18.284 -13.339 1.000 1 A 26.938 1 ATOM 629 C CG2 . VAL 82 990 ? A -4.746 18.166 -13.364 1.000 1 A 26.938 1 ATOM 630 N N . LYS 83 991 ? A -7.915 19.625 -9.920 1.000 1 A 25.672 1 ATOM 631 C CA . LYS 83 991 ? A -9.136 20.210 -9.373 1.000 1 A 25.672 1 ATOM 632 C C . LYS 83 991 ? A -10.374 19.649 -10.068 1.000 1 A 25.672 1 ATOM 633 O O . LYS 83 991 ? A -10.482 19.705 -11.294 1.000 1 A 25.672 1 ATOM 634 C CB . LYS 83 991 ? A -9.107 21.733 -9.504 1.000 1 A 25.672 1 ATOM 635 C CG . LYS 83 991 ? A -9.611 22.470 -8.272 1.000 1 A 25.672 1 ATOM 636 C CD . LYS 83 991 ? A -9.465 23.979 -8.423 1.000 1 A 25.672 1 ATOM 637 C CE . LYS 83 991 ? A -9.986 24.718 -7.199 1.000 1 A 25.672 1 ATOM 638 N NZ . LYS 83 991 ? A -9.820 26.197 -7.332 1.000 1 A 25.672 1 ATOM 639 N N . THR 84 992 ? A -10.951 18.556 -9.673 1.000 1 A 25.966 1 ATOM 640 C CA . THR 84 992 ? A -12.325 18.373 -10.130 1.000 1 A 25.966 1 ATOM 641 C C . THR 84 992 ? A -13.277 18.249 -8.945 1.000 1 A 25.966 1 ATOM 642 O O . THR 84 992 ? A -12.940 17.631 -7.933 1.000 1 A 25.966 1 ATOM 643 C CB . THR 84 992 ? A -12.453 17.129 -11.028 1.000 1 A 25.966 1 ATOM 644 O OG1 . THR 84 992 ? A -11.153 16.569 -11.249 1.000 1 A 25.966 1 ATOM 645 C CG2 . THR 84 992 ? A -13.076 17.483 -12.374 1.000 1 A 25.966 1 ATOM 646 N N . LYS 85 993 ? A -14.250 19.157 -8.783 1.000 1 A 24.229 1 ATOM 647 C CA . LYS 85 993 ? A -15.434 19.451 -7.981 1.000 1 A 24.229 1 ATOM 648 C C . LYS 85 993 ? A -16.482 18.352 -8.124 1.000 1 A 24.229 1 ATOM 649 O O . LYS 85 993 ? A -16.743 17.876 -9.231 1.000 1 A 24.229 1 ATOM 650 C CB . LYS 85 993 ? A -16.032 20.801 -8.381 1.000 1 A 24.229 1 ATOM 651 C CG . LYS 85 993 ? A -15.425 21.989 -7.649 1.000 1 A 24.229 1 ATOM 652 C CD . LYS 85 993 ? A -16.314 23.221 -7.750 1.000 1 A 24.229 1 ATOM 653 C CE . LYS 85 993 ? A -15.698 24.416 -7.033 1.000 1 A 24.229 1 ATOM 654 N NZ . LYS 85 993 ? A -16.583 25.618 -7.100 1.000 1 A 24.229 1 ATOM 655 N N . CYS 86 994 ? A -16.662 17.482 -7.173 1.000 1 A 27.640 1 ATOM 656 C CA . CYS 86 994 ? A -17.742 16.516 -7.006 1.000 1 A 27.640 1 ATOM 657 C C . CYS 86 994 ? A -19.005 17.195 -6.490 1.000 1 A 27.640 1 ATOM 658 O O . CYS 86 994 ? A -18.956 17.952 -5.519 1.000 1 A 27.640 1 ATOM 659 C CB . CYS 86 994 ? A -17.322 15.403 -6.047 1.000 1 A 27.640 1 ATOM 660 S SG . CYS 86 994 ? A -16.049 14.309 -6.715 1.000 1 A 27.640 1 ATOM 661 N N . LYS 87 995 ? A -19.947 17.663 -7.352 1.000 1 A 26.579 1 ATOM 662 C CA . LYS 87 995 ? A -21.298 18.134 -7.061 1.000 1 A 26.579 1 ATOM 663 C C . LYS 87 995 ? A -22.169 17.006 -6.517 1.000 1 A 26.579 1 ATOM 664 O O . LYS 87 995 ? A -22.215 15.917 -7.094 1.000 1 A 26.579 1 ATOM 665 C CB . LYS 87 995 ? A -21.939 18.735 -8.313 1.000 1 A 26.579 1 ATOM 666 C CG . LYS 87 995 ? A -21.721 20.233 -8.462 1.000 1 A 26.579 1 ATOM 667 C CD . LYS 87 995 ? A -22.447 20.785 -9.682 1.000 1 A 26.579 1 ATOM 668 C CE . LYS 87 995 ? A -22.155 22.266 -9.885 1.000 1 A 26.579 1 ATOM 669 N NZ . LYS 87 995 ? A -22.885 22.817 -11.066 1.000 1 A 26.579 1 ATOM 670 N N . LYS 88 996 ? A -22.295 16.847 -5.227 1.000 1 A 37.085 1 ATOM 671 C CA . LYS 88 996 ? A -23.202 16.054 -4.402 1.000 1 A 37.085 1 ATOM 672 C C . LYS 88 996 ? A -24.656 16.448 -4.648 1.000 1 A 37.085 1 ATOM 673 O O . LYS 88 996 ? A -24.983 17.636 -4.693 1.000 1 A 37.085 1 ATOM 674 C CB . LYS 88 996 ? A -22.860 16.214 -2.920 1.000 1 A 37.085 1 ATOM 675 C CG . LYS 88 996 ? A -23.013 14.937 -2.107 1.000 1 A 37.085 1 ATOM 676 C CD . LYS 88 996 ? A -22.551 15.131 -0.669 1.000 1 A 37.085 1 ATOM 677 C CE . LYS 88 996 ? A -22.655 13.839 0.131 1.000 1 A 37.085 1 ATOM 678 N NZ . LYS 88 996 ? A -21.944 13.941 1.441 1.000 1 A 37.085 1 ATOM 679 N N . ASN 89 997 ? A -25.495 15.822 -5.542 1.000 1 A 25.204 1 ATOM 680 C CA . ASN 89 997 ? A -26.951 15.879 -5.606 1.000 1 A 25.204 1 ATOM 681 C C . ASN 89 997 ? A -27.587 15.490 -4.275 1.000 1 A 25.204 1 ATOM 682 O O . ASN 89 997 ? A -27.241 14.459 -3.695 1.000 1 A 25.204 1 ATOM 683 C CB . ASN 89 997 ? A -27.475 14.981 -6.728 1.000 1 A 25.204 1 ATOM 684 C CG . ASN 89 997 ? A -27.056 15.459 -8.104 1.000 1 A 25.204 1 ATOM 685 O OD1 . ASN 89 997 ? A -26.917 16.662 -8.341 1.000 1 A 25.204 1 ATOM 686 N ND2 . ASN 89 997 ? A -26.850 14.521 -9.021 1.000 1 A 25.204 1 ATOM 687 N N . LEU 90 998 ? A -27.827 16.443 -3.374 1.000 1 A 27.975 1 ATOM 688 C CA . LEU 90 998 ? A -28.794 16.699 -2.312 1.000 1 A 27.975 1 ATOM 689 C C . LEU 90 998 ? A -30.121 16.008 -2.606 1.000 1 A 27.975 1 ATOM 690 O O . LEU 90 998 ? A -30.766 16.298 -3.616 1.000 1 A 27.975 1 ATOM 691 C CB . LEU 90 998 ? A -29.016 18.204 -2.140 1.000 1 A 27.975 1 ATOM 692 C CG . LEU 90 998 ? A -28.204 18.888 -1.039 1.000 1 A 27.975 1 ATOM 693 C CD1 . LEU 90 998 ? A -27.469 20.102 -1.599 1.000 1 A 27.975 1 ATOM 694 C CD2 . LEU 90 998 ? A -29.109 19.292 0.120 1.000 1 A 27.975 1 ATOM 695 N N . LEU 91 999 ? A -30.259 14.707 -2.547 1.000 1 A 27.014 1 ATOM 696 C CA . LEU 91 999 ? A -31.599 14.146 -2.414 1.000 1 A 27.014 1 ATOM 697 C C . LEU 91 999 ? A -32.068 14.196 -0.964 1.000 1 A 27.014 1 ATOM 698 O O . LEU 91 999 ? A -31.383 13.696 -0.069 1.000 1 A 27.014 1 ATOM 699 C CB . LEU 91 999 ? A -31.629 12.703 -2.924 1.000 1 A 27.014 1 ATOM 700 C CG . LEU 91 999 ? A -32.661 12.388 -4.007 1.000 1 A 27.014 1 ATOM 701 C CD1 . LEU 91 999 ? A -32.028 11.555 -5.117 1.000 1 A 27.014 1 ATOM 702 C CD2 . LEU 91 999 ? A -33.862 11.664 -3.408 1.000 1 A 27.014 1 ATOM 703 N N . GLU 92 1000 ? A -32.487 15.372 -0.433 1.000 1 A 27.794 1 ATOM 704 C CA . GLU 92 1000 ? A -33.684 15.733 0.322 1.000 1 A 27.794 1 ATOM 705 C C . GLU 92 1000 ? A -34.566 14.514 0.573 1.000 1 A 27.794 1 ATOM 706 O O . GLU 92 1000 ? A -35.047 13.883 -0.371 1.000 1 A 27.794 1 ATOM 707 C CB . GLU 92 1000 ? A -34.478 16.814 -0.415 1.000 1 A 27.794 1 ATOM 708 C CG . GLU 92 1000 ? A -34.635 18.106 0.374 1.000 1 A 27.794 1 ATOM 709 C CD . GLU 92 1000 ? A -35.336 19.206 -0.408 1.000 1 A 27.794 1 ATOM 710 O OE1 . GLU 92 1000 ? A -35.523 20.316 0.139 1.000 1 A 27.794 1 ATOM 711 O OE2 . GLU 92 1000 ? A -35.703 18.954 -1.578 1.000 1 A 27.794 1 ATOM 712 N N . GLU 93 1001 ? A -34.299 13.692 1.534 1.000 1 A 30.389 1 ATOM 713 C CA . GLU 93 1001 ? A -35.370 12.876 2.099 1.000 1 A 30.389 1 ATOM 714 C C . GLU 93 1001 ? A -35.764 13.368 3.489 1.000 1 A 30.389 1 ATOM 715 O O . GLU 93 1001 ? A -34.907 13.541 4.358 1.000 1 A 30.389 1 ATOM 716 C CB . GLU 93 1001 ? A -34.948 11.405 2.162 1.000 1 A 30.389 1 ATOM 717 C CG . GLU 93 1001 ? A -35.957 10.450 1.541 1.000 1 A 30.389 1 ATOM 718 C CD . GLU 93 1001 ? A -35.554 8.989 1.666 1.000 1 A 30.389 1 ATOM 719 O OE1 . GLU 93 1001 ? A -36.353 8.104 1.283 1.000 1 A 30.389 1 ATOM 720 O OE2 . GLU 93 1001 ? A -34.431 8.726 2.151 1.000 1 A 30.389 1 ATOM 721 N N . ASN 94 1002 ? A -36.517 14.450 3.619 1.000 1 A 26.989 1 ATOM 722 C CA . ASN 94 1002 ? A -37.647 14.841 4.455 1.000 1 A 26.989 1 ATOM 723 C C . ASN 94 1002 ? A -38.321 13.628 5.090 1.000 1 A 26.989 1 ATOM 724 O O . ASN 94 1002 ? A -38.881 12.785 4.387 1.000 1 A 26.989 1 ATOM 725 C CB . ASN 94 1002 ? A -38.662 15.648 3.644 1.000 1 A 26.989 1 ATOM 726 C CG . ASN 94 1002 ? A -38.199 17.066 3.374 1.000 1 A 26.989 1 ATOM 727 O OD1 . ASN 94 1002 ? A -37.426 17.637 4.146 1.000 1 A 26.989 1 ATOM 728 N ND2 . ASN 94 1002 ? A -38.669 17.644 2.274 1.000 1 A 26.989 1 ATOM 729 N N . PHE 95 1003 ? A -37.897 13.041 6.185 1.000 1 A 29.496 1 ATOM 730 C CA . PHE 95 1003 ? A -38.864 12.396 7.064 1.000 1 A 29.496 1 ATOM 731 C C . PHE 95 1003 ? A -38.996 13.160 8.377 1.000 1 A 29.496 1 ATOM 732 O O . PHE 95 1003 ? A -37.992 13.502 9.005 1.000 1 A 29.496 1 ATOM 733 C CB . PHE 95 1003 ? A -38.459 10.945 7.340 1.000 1 A 29.496 1 ATOM 734 C CG . PHE 95 1003 ? A -38.838 9.990 6.241 1.000 1 A 29.496 1 ATOM 735 C CD1 . PHE 95 1003 ? A -40.131 9.488 6.153 1.000 1 A 29.496 1 ATOM 736 C CD2 . PHE 95 1003 ? A -37.901 9.593 5.295 1.000 1 A 29.496 1 ATOM 737 C CE1 . PHE 95 1003 ? A -40.485 8.603 5.136 1.000 1 A 29.496 1 ATOM 738 C CE2 . PHE 95 1003 ? A -38.248 8.710 4.277 1.000 1 A 29.496 1 ATOM 739 C CZ . PHE 95 1003 ? A -39.540 8.215 4.200 1.000 1 A 29.496 1 ATOM 740 N N . GLU 96 1004 ? A -39.732 14.227 8.448 1.000 1 A 27.971 1 ATOM 741 C CA . GLU 96 1004 ? A -40.822 14.701 9.294 1.000 1 A 27.971 1 ATOM 742 C C . GLU 96 1004 ? A -40.989 13.816 10.526 1.000 1 A 27.971 1 ATOM 743 O O . GLU 96 1004 ? A -41.126 12.597 10.408 1.000 1 A 27.971 1 ATOM 744 C CB . GLU 96 1004 ? A -42.132 14.754 8.504 1.000 1 A 27.971 1 ATOM 745 C CG . GLU 96 1004 ? A -42.831 16.105 8.562 1.000 1 A 27.971 1 ATOM 746 C CD . GLU 96 1004 ? A -43.780 16.340 7.397 1.000 1 A 27.971 1 ATOM 747 O OE1 . GLU 96 1004 ? A -44.333 17.458 7.281 1.000 1 A 27.971 1 ATOM 748 O OE2 . GLU 96 1004 ? A -43.972 15.400 6.595 1.000 1 A 27.971 1 ATOM 749 N N . GLU 97 1005 ? A -40.268 14.028 11.578 1.000 1 A 25.383 1 ATOM 750 C CA . GLU 97 1005 ? A -40.406 14.023 13.031 1.000 1 A 25.383 1 ATOM 751 C C . GLU 97 1005 ? A -41.829 14.378 13.452 1.000 1 A 25.383 1 ATOM 752 O O . GLU 97 1005 ? A -42.322 15.463 13.137 1.000 1 A 25.383 1 ATOM 753 C CB . GLU 97 1005 ? A -39.410 14.995 13.670 1.000 1 A 25.383 1 ATOM 754 C CG . GLU 97 1005 ? A -38.660 14.414 14.860 1.000 1 A 25.383 1 ATOM 755 C CD . GLU 97 1005 ? A -37.571 15.333 15.389 1.000 1 A 25.383 1 ATOM 756 O OE1 . GLU 97 1005 ? A -36.818 14.920 16.301 1.000 1 A 25.383 1 ATOM 757 O OE2 . GLU 97 1005 ? A -37.469 16.475 14.889 1.000 1 A 25.383 1 ATOM 758 N N . HIS 98 1006 ? A -42.831 13.499 13.328 1.000 1 A 28.942 1 ATOM 759 C CA . HIS 98 1006 ? A -44.014 13.555 14.179 1.000 1 A 28.942 1 ATOM 760 C C . HIS 98 1006 ? A -43.903 12.578 15.344 1.000 1 A 28.942 1 ATOM 761 O O . HIS 98 1006 ? A -43.491 11.430 15.159 1.000 1 A 28.942 1 ATOM 762 C CB . HIS 98 1006 ? A -45.275 13.260 13.364 1.000 1 A 28.942 1 ATOM 763 C CG . HIS 98 1006 ? A -45.672 14.373 12.448 1.000 1 A 28.942 1 ATOM 764 N ND1 . HIS 98 1006 ? A -46.071 15.609 12.908 1.000 1 A 28.942 1 ATOM 765 C CD2 . HIS 98 1006 ? A -45.728 14.435 11.096 1.000 1 A 28.942 1 ATOM 766 C CE1 . HIS 98 1006 ? A -46.357 16.385 11.876 1.000 1 A 28.942 1 ATOM 767 N NE2 . HIS 98 1006 ? A -46.157 15.696 10.765 1.000 1 A 28.942 1 ATOM 768 N N . SER 99 1007 ? A -43.522 13.040 16.535 1.000 1 A 23.895 1 ATOM 769 C CA . SER 99 1007 ? A -44.229 13.252 17.794 1.000 1 A 23.895 1 ATOM 770 C C . SER 99 1007 ? A -45.199 12.111 18.082 1.000 1 A 23.895 1 ATOM 771 O O . SER 99 1007 ? A -45.881 11.626 17.176 1.000 1 A 23.895 1 ATOM 772 C CB . SER 99 1007 ? A -44.985 14.581 17.768 1.000 1 A 23.895 1 ATOM 773 O OG . SER 99 1007 ? A -46.158 14.477 16.980 1.000 1 A 23.895 1 ATOM 774 N N . MET 100 1008 ? A -44.934 11.191 19.099 1.000 1 A 25.017 1 ATOM 775 C CA . MET 100 1008 ? A -45.712 10.873 20.293 1.000 1 A 25.017 1 ATOM 776 C C . MET 100 1008 ? A -46.061 9.389 20.337 1.000 1 A 25.017 1 ATOM 777 O O . MET 100 1008 ? A -46.544 8.831 19.350 1.000 1 A 25.017 1 ATOM 778 C CB . MET 100 1008 ? A -46.991 11.711 20.341 1.000 1 A 25.017 1 ATOM 779 C CG . MET 100 1008 ? A -47.408 12.113 21.747 1.000 1 A 25.017 1 ATOM 780 S SD . MET 100 1008 ? A -49.036 12.959 21.782 1.000 1 A 25.017 1 ATOM 781 C CE . MET 100 1008 ? A -48.864 13.920 23.311 1.000 1 A 25.017 1 ATOM 782 N N . SER 101 1009 ? A -45.517 8.639 21.243 1.000 1 A 25.571 1 ATOM 783 C CA . SER 101 1009 ? A -45.938 7.712 22.289 1.000 1 A 25.571 1 ATOM 784 C C . SER 101 1009 ? A -47.458 7.634 22.380 1.000 1 A 25.571 1 ATOM 785 O O . SER 101 1009 ? A -48.140 8.661 22.355 1.000 1 A 25.571 1 ATOM 786 C CB . SER 101 1009 ? A -45.359 8.131 23.641 1.000 1 A 25.571 1 ATOM 787 O OG . SER 101 1009 ? A -46.392 8.512 24.534 1.000 1 A 25.571 1 ATOM 788 N N . PRO 102 1010 ? A -48.064 6.320 22.398 1.000 1 A 31.393 1 ATOM 789 C CA . PRO 102 1010 ? A -48.814 5.798 23.542 1.000 1 A 31.393 1 ATOM 790 C C . PRO 102 1010 ? A -48.709 4.280 23.674 1.000 1 A 31.393 1 ATOM 791 O O . PRO 102 1010 ? A -48.412 3.591 22.695 1.000 1 A 31.393 1 ATOM 792 C CB . PRO 102 1010 ? A -50.254 6.221 23.242 1.000 1 A 31.393 1 ATOM 793 C CG . PRO 102 1010 ? A -50.374 6.141 21.755 1.000 1 A 31.393 1 ATOM 794 C CD . PRO 102 1010 ? A -49.022 5.824 21.183 1.000 1 A 31.393 1 ATOM 795 N N . GLU 103 1011 ? A -48.190 3.696 24.776 1.000 1 A 23.273 1 ATOM 796 C CA . GLU 103 1011 ? A -48.776 2.910 25.858 1.000 1 A 23.273 1 ATOM 797 C C . GLU 103 1011 ? A -50.171 2.417 25.489 1.000 1 A 23.273 1 ATOM 798 O O . GLU 103 1011 ? A -51.047 3.214 25.146 1.000 1 A 23.273 1 ATOM 799 C CB . GLU 103 1011 ? A -48.833 3.732 27.149 1.000 1 A 23.273 1 ATOM 800 C CG . GLU 103 1011 ? A -48.484 2.937 28.399 1.000 1 A 23.273 1 ATOM 801 C CD . GLU 103 1011 ? A -48.514 3.773 29.669 1.000 1 A 23.273 1 ATOM 802 O OE1 . GLU 103 1011 ? A -48.334 3.208 30.771 1.000 1 A 23.273 1 ATOM 803 O OE2 . GLU 103 1011 ? A -48.720 5.002 29.560 1.000 1 A 23.273 1 ATOM 804 N N . ARG 104 1012 ? A -50.381 1.145 25.053 1.000 1 A 33.347 1 ATOM 805 C CA . ARG 104 1012 ? A -51.549 0.286 25.213 1.000 1 A 33.347 1 ATOM 806 C C . ARG 104 1012 ? A -51.148 -1.186 25.231 1.000 1 A 33.347 1 ATOM 807 O O . ARG 104 1012 ? A -50.392 -1.639 24.370 1.000 1 A 33.347 1 ATOM 808 C CB . ARG 104 1012 ? A -52.561 0.539 24.093 1.000 1 A 33.347 1 ATOM 809 C CG . ARG 104 1012 ? A -53.590 1.609 24.423 1.000 1 A 33.347 1 ATOM 810 C CD . ARG 104 1012 ? A -54.767 1.575 23.458 1.000 1 A 33.347 1 ATOM 811 N NE . ARG 104 1012 ? A -55.636 2.736 23.629 1.000 1 A 33.347 1 ATOM 812 C CZ . ARG 104 1012 ? A -56.600 3.092 22.784 1.000 1 A 33.347 1 ATOM 813 N NH1 . ARG 104 1012 ? A -56.838 2.380 21.688 1.000 1 A 33.347 1 ATOM 814 N NH2 . ARG 104 1012 ? A -57.332 4.167 23.036 1.000 1 A 33.347 1 ATOM 815 N N . GLU 105 1013 ? A -51.117 -1.904 26.352 1.000 1 A 24.510 1 ATOM 816 C CA . GLU 105 1013 ? A -51.923 -2.866 27.099 1.000 1 A 24.510 1 ATOM 817 C C . GLU 105 1013 ? A -52.958 -3.535 26.199 1.000 1 A 24.510 1 ATOM 818 O O . GLU 105 1013 ? A -53.712 -2.855 25.500 1.000 1 A 24.510 1 ATOM 819 C CB . GLU 105 1013 ? A -52.615 -2.183 28.281 1.000 1 A 24.510 1 ATOM 820 C CG . GLU 105 1013 ? A -52.681 -3.044 29.535 1.000 1 A 24.510 1 ATOM 821 C CD . GLU 105 1013 ? A -53.184 -2.289 30.755 1.000 1 A 24.510 1 ATOM 822 O OE1 . GLU 105 1013 ? A -53.213 -2.874 31.861 1.000 1 A 24.510 1 ATOM 823 O OE2 . GLU 105 1013 ? A -53.554 -1.103 30.603 1.000 1 A 24.510 1 ATOM 824 N N . MET 106 1014 ? A -52.773 -4.852 25.851 1.000 1 A 28.950 1 ATOM 825 C CA . MET 106 1014 ? A -53.802 -5.887 25.850 1.000 1 A 28.950 1 ATOM 826 C C . MET 106 1014 ? A -53.549 -6.905 24.743 1.000 1 A 28.950 1 ATOM 827 O O . MET 106 1014 ? A -53.366 -6.534 23.582 1.000 1 A 28.950 1 ATOM 828 C CB . MET 106 1014 ? A -55.190 -5.266 25.681 1.000 1 A 28.950 1 ATOM 829 C CG . MET 106 1014 ? A -56.331 -6.214 26.014 1.000 1 A 28.950 1 ATOM 830 S SD . MET 106 1014 ? A -56.505 -6.498 27.819 1.000 1 A 28.950 1 ATOM 831 C CE . MET 106 1014 ? A -58.300 -6.305 28.001 1.000 1 A 28.950 1 ATOM 832 N N . GLY 107 1015 ? A -53.165 -8.166 25.107 1.000 1 A 25.774 1 ATOM 833 C CA . GLY 107 1015 ? A -53.988 -9.365 25.086 1.000 1 A 25.774 1 ATOM 834 C C . GLY 107 1015 ? A -53.816 -10.184 23.821 1.000 1 A 25.774 1 ATOM 835 O O . GLY 107 1015 ? A -53.845 -9.641 22.715 1.000 1 A 25.774 1 ATOM 836 N N . ASN 108 1016 ? A -53.181 -11.342 23.879 1.000 1 A 27.853 1 ATOM 837 C CA . ASN 108 1016 ? A -53.589 -12.741 23.805 1.000 1 A 27.853 1 ATOM 838 C C . ASN 108 1016 ? A -53.593 -13.248 22.366 1.000 1 A 27.853 1 ATOM 839 O O . ASN 108 1016 ? A -54.005 -12.532 21.452 1.000 1 A 27.853 1 ATOM 840 C CB . ASN 108 1016 ? A -54.968 -12.933 24.440 1.000 1 A 27.853 1 ATOM 841 C CG . ASN 108 1016 ? A -56.069 -12.237 23.665 1.000 1 A 27.853 1 ATOM 842 O OD1 . ASN 108 1016 ? A -55.807 -11.533 22.687 1.000 1 A 27.853 1 ATOM 843 N ND2 . ASN 108 1016 ? A -57.310 -12.430 24.096 1.000 1 A 27.853 1 ATOM 844 N N . GLU 109 1017 ? A -52.862 -14.367 22.067 1.000 1 A 33.406 1 ATOM 845 C CA . GLU 109 1017 ? A -53.182 -15.711 21.597 1.000 1 A 33.406 1 ATOM 846 C C . GLU 109 1017 ? A -52.028 -16.306 20.795 1.000 1 A 33.406 1 ATOM 847 O O . GLU 109 1017 ? A -51.479 -15.650 19.907 1.000 1 A 33.406 1 ATOM 848 C CB . GLU 109 1017 ? A -54.457 -15.695 20.750 1.000 1 A 33.406 1 ATOM 849 C CG . GLU 109 1017 ? A -55.661 -16.324 21.437 1.000 1 A 33.406 1 ATOM 850 C CD . GLU 109 1017 ? A -56.894 -16.385 20.550 1.000 1 A 33.406 1 ATOM 851 O OE1 . GLU 109 1017 ? A -57.915 -16.976 20.970 1.000 1 A 33.406 1 ATOM 852 O OE2 . GLU 109 1017 ? A -56.839 -15.837 19.427 1.000 1 A 33.406 1 ATOM 853 N N . ASN 110 1018 ? A -51.323 -17.256 21.259 1.000 1 A 27.517 1 ATOM 854 C CA . ASN 110 1018 ? A -51.270 -18.700 21.056 1.000 1 A 27.517 1 ATOM 855 C C . ASN 110 1018 ? A -51.016 -19.051 19.593 1.000 1 A 27.517 1 ATOM 856 O O . ASN 110 1018 ? A -51.802 -18.686 18.717 1.000 1 A 27.517 1 ATOM 857 C CB . ASN 110 1018 ? A -52.563 -19.358 21.544 1.000 1 A 27.517 1 ATOM 858 C CG . ASN 110 1018 ? A -52.535 -19.671 23.027 1.000 1 A 27.517 1 ATOM 859 O OD1 . ASN 110 1018 ? A -51.478 -19.632 23.663 1.000 1 A 27.517 1 ATOM 860 N ND2 . ASN 110 1018 ? A -53.697 -19.983 23.589 1.000 1 A 27.517 1 ATOM 861 N N . ILE 111 1019 ? A -49.835 -19.619 19.228 1.000 1 A 39.143 1 ATOM 862 C CA . ILE 111 1019 ? A -49.507 -20.867 18.547 1.000 1 A 39.143 1 ATOM 863 C C . ILE 111 1019 ? A -48.044 -21.223 18.798 1.000 1 A 39.143 1 ATOM 864 O O . ILE 111 1019 ? A -47.154 -20.393 18.601 1.000 1 A 39.143 1 ATOM 865 C CB . ILE 111 1019 ? A -49.784 -20.772 17.030 1.000 1 A 39.143 1 ATOM 866 C CG1 . ILE 111 1019 ? A -51.251 -20.409 16.776 1.000 1 A 39.143 1 ATOM 867 C CG2 . ILE 111 1019 ? A -49.415 -22.084 16.331 1.000 1 A 39.143 1 ATOM 868 C CD1 . ILE 111 1019 ? A -51.589 -20.186 15.308 1.000 1 A 39.143 1 ATOM 869 N N . PRO 112 1020 ? A -47.630 -22.343 19.350 1.000 1 A 33.473 1 ATOM 870 C CA . PRO 112 1020 ? A -46.341 -23.008 19.555 1.000 1 A 33.473 1 ATOM 871 C C . PRO 112 1020 ? A -45.877 -23.786 18.327 1.000 1 A 33.473 1 ATOM 872 O O . PRO 112 1020 ? A -46.690 -24.132 17.466 1.000 1 A 33.473 1 ATOM 873 C CB . PRO 112 1020 ? A -46.615 -23.952 20.729 1.000 1 A 33.473 1 ATOM 874 C CG . PRO 112 1020 ? A -48.036 -24.381 20.551 1.000 1 A 33.473 1 ATOM 875 C CD . PRO 112 1020 ? A -48.624 -23.616 19.400 1.000 1 A 33.473 1 ATOM 876 N N . SER 113 1021 ? A -44.618 -23.782 17.876 1.000 1 A 29.011 1 ATOM 877 C CA . SER 113 1021 ? A -43.768 -24.946 17.642 1.000 1 A 29.011 1 ATOM 878 C C . SER 113 1021 ? A -43.162 -24.915 16.244 1.000 1 A 29.011 1 ATOM 879 O O . SER 113 1021 ? A -43.872 -24.710 15.257 1.000 1 A 29.011 1 ATOM 880 C CB . SER 113 1021 ? A -44.564 -26.238 17.833 1.000 1 A 29.011 1 ATOM 881 O OG . SER 113 1021 ? A -45.457 -26.443 16.752 1.000 1 A 29.011 1 ATOM 882 N N . THR 114 1022 ? A -41.846 -24.531 16.047 1.000 1 A 31.218 1 ATOM 883 C CA . THR 114 1022 ? A -40.956 -25.426 15.316 1.000 1 A 31.218 1 ATOM 884 C C . THR 114 1022 ? A -39.503 -24.981 15.462 1.000 1 A 31.218 1 ATOM 885 O O . THR 114 1022 ? A -39.165 -23.836 15.154 1.000 1 A 31.218 1 ATOM 886 C CB . THR 114 1022 ? A -41.329 -25.488 13.823 1.000 1 A 31.218 1 ATOM 887 O OG1 . THR 114 1022 ? A -42.693 -25.907 13.695 1.000 1 A 31.218 1 ATOM 888 C CG2 . THR 114 1022 ? A -40.435 -26.470 13.073 1.000 1 A 31.218 1 ATOM 889 N N . VAL 115 1023 ? A -38.837 -25.168 16.552 1.000 1 A 27.081 1 ATOM 890 C CA . VAL 115 1023 ? A -37.463 -25.581 16.820 1.000 1 A 27.081 1 ATOM 891 C C . VAL 115 1023 ? A -37.014 -26.595 15.771 1.000 1 A 27.081 1 ATOM 892 O O . VAL 115 1023 ? A -37.652 -27.635 15.591 1.000 1 A 27.081 1 ATOM 893 C CB . VAL 115 1023 ? A -37.316 -26.179 18.237 1.000 1 A 27.081 1 ATOM 894 C CG1 . VAL 115 1023 ? A -35.895 -26.694 18.461 1.000 1 A 27.081 1 ATOM 895 C CG2 . VAL 115 1023 ? A -37.684 -25.141 19.295 1.000 1 A 27.081 1 ATOM 896 N N . SER 116 1024 ? A -36.681 -26.266 14.577 1.000 1 A 30.620 1 ATOM 897 C CA . SER 116 1024 ? A -35.828 -27.036 13.678 1.000 1 A 30.620 1 ATOM 898 C C . SER 116 1024 ? A -34.358 -26.676 13.867 1.000 1 A 30.620 1 ATOM 899 O O . SER 116 1024 ? A -34.004 -25.496 13.920 1.000 1 A 30.620 1 ATOM 900 C CB . SER 116 1024 ? A -36.235 -26.802 12.222 1.000 1 A 30.620 1 ATOM 901 O OG . SER 116 1024 ? A -35.770 -25.544 11.766 1.000 1 A 30.620 1 ATOM 902 N N . THR 117 1025 ? A -33.643 -27.261 14.810 1.000 1 A 26.174 1 ATOM 903 C CA . THR 117 1025 ? A -32.321 -27.876 14.773 1.000 1 A 26.174 1 ATOM 904 C C . THR 117 1025 ? A -32.020 -28.430 13.384 1.000 1 A 26.174 1 ATOM 905 O O . THR 117 1025 ? A -32.786 -29.237 12.852 1.000 1 A 26.174 1 ATOM 906 C CB . THR 117 1025 ? A -32.200 -29.004 15.815 1.000 1 A 26.174 1 ATOM 907 O OG1 . THR 117 1025 ? A -33.098 -28.741 16.901 1.000 1 A 26.174 1 ATOM 908 C CG2 . THR 117 1025 ? A -30.779 -29.101 16.359 1.000 1 A 26.174 1 ATOM 909 N N . ILE 118 1026 ? A -31.758 -27.689 12.317 1.000 1 A 36.194 1 ATOM 910 C CA . ILE 118 1026 ? A -31.147 -28.059 11.045 1.000 1 A 36.194 1 ATOM 911 C C . ILE 118 1026 ? A -29.642 -28.237 11.228 1.000 1 A 36.194 1 ATOM 912 O O . ILE 118 1026 ? A -28.972 -27.368 11.792 1.000 1 A 36.194 1 ATOM 913 C CB . ILE 118 1026 ? A -31.434 -27.005 9.952 1.000 1 A 36.194 1 ATOM 914 C CG1 . ILE 118 1026 ? A -32.941 -26.900 9.693 1.000 1 A 36.194 1 ATOM 915 C CG2 . ILE 118 1026 ? A -30.679 -27.344 8.663 1.000 1 A 36.194 1 ATOM 916 C CD1 . ILE 118 1026 ? A -33.339 -25.718 8.819 1.000 1 A 36.194 1 ATOM 917 N N . SER 119 1027 ? A -29.217 -29.420 11.699 1.000 1 A 28.888 1 ATOM 918 C CA . SER 119 1027 ? A -28.459 -30.497 11.071 1.000 1 A 28.888 1 ATOM 919 C C . SER 119 1027 ? A -27.159 -29.978 10.466 1.000 1 A 28.888 1 ATOM 920 O O . SER 119 1027 ? A -27.165 -29.000 9.715 1.000 1 A 28.888 1 ATOM 921 C CB . SER 119 1027 ? A -29.296 -31.183 9.991 1.000 1 A 28.888 1 ATOM 922 O OG . SER 119 1027 ? A -28.463 -31.773 9.008 1.000 1 A 28.888 1 ATOM 923 N N . ARG 120 1028 ? A -26.126 -29.898 11.209 1.000 1 A 26.688 1 ATOM 924 C CA . ARG 120 1028 ? A -24.756 -30.369 11.037 1.000 1 A 26.688 1 ATOM 925 C C . ARG 120 1028 ? A -24.636 -31.268 9.811 1.000 1 A 26.688 1 ATOM 926 O O . ARG 120 1028 ? A -25.282 -32.315 9.737 1.000 1 A 26.688 1 ATOM 927 C CB . ARG 120 1028 ? A -24.284 -31.119 12.285 1.000 1 A 26.688 1 ATOM 928 C CG . ARG 120 1028 ? A -22.774 -31.137 12.458 1.000 1 A 26.688 1 ATOM 929 C CD . ARG 120 1028 ? A -22.374 -31.473 13.888 1.000 1 A 26.688 1 ATOM 930 N NE . ARG 120 1028 ? A -22.485 -32.903 14.157 1.000 1 A 26.688 1 ATOM 931 C CZ . ARG 120 1028 ? A -21.453 -33.728 14.311 1.000 1 A 26.688 1 ATOM 932 N NH1 . ARG 120 1028 ? A -20.206 -33.277 14.224 1.000 1 A 26.688 1 ATOM 933 N NH2 . ARG 120 1028 ? A -21.667 -35.013 14.552 1.000 1 A 26.688 1 ATOM 934 N N . ASN 121 1029 ? A -24.658 -30.752 8.636 1.000 1 A 31.725 1 ATOM 935 C CA . ASN 121 1029 ? A -24.217 -31.370 7.390 1.000 1 A 31.725 1 ATOM 936 C C . ASN 121 1029 ? A -22.704 -31.266 7.217 1.000 1 A 31.725 1 ATOM 937 O O . ASN 121 1029 ? A -22.136 -30.178 7.330 1.000 1 A 31.725 1 ATOM 938 C CB . ASN 121 1029 ? A -24.933 -30.737 6.194 1.000 1 A 31.725 1 ATOM 939 C CG . ASN 121 1029 ? A -26.396 -31.125 6.118 1.000 1 A 31.725 1 ATOM 940 O OD1 . ASN 121 1029 ? A -26.851 -32.024 6.831 1.000 1 A 31.725 1 ATOM 941 N ND2 . ASN 121 1029 ? A -27.145 -30.449 5.254 1.000 1 A 31.725 1 ATOM 942 N N . ASN 122 1030 ? A -21.861 -32.190 7.730 1.000 1 A 27.248 1 ATOM 943 C CA . ASN 122 1030 ? A -20.854 -33.105 7.202 1.000 1 A 27.248 1 ATOM 944 C C . ASN 122 1030 ? A -20.445 -32.728 5.781 1.000 1 A 27.248 1 ATOM 945 O O . ASN 122 1030 ? A -21.228 -32.885 4.843 1.000 1 A 27.248 1 ATOM 946 C CB . ASN 122 1030 ? A -21.365 -34.547 7.243 1.000 1 A 27.248 1 ATOM 947 C CG . ASN 122 1030 ? A -21.468 -35.090 8.654 1.000 1 A 27.248 1 ATOM 948 O OD1 . ASN 122 1030 ? A -20.659 -34.754 9.523 1.000 1 A 27.248 1 ATOM 949 N ND2 . ASN 122 1030 ? A -22.465 -35.934 8.893 1.000 1 A 27.248 1 ATOM 950 N N . ILE 123 1031 ? A -19.564 -31.781 5.553 1.000 1 A 37.239 1 ATOM 951 C CA . ILE 123 1031 ? A -18.705 -31.807 4.375 1.000 1 A 37.239 1 ATOM 952 C C . ILE 123 1031 ? A -17.309 -32.289 4.764 1.000 1 A 37.239 1 ATOM 953 O O . ILE 123 1031 ? A -16.703 -31.763 5.700 1.000 1 A 37.239 1 ATOM 954 C CB . ILE 123 1031 ? A -18.624 -30.418 3.703 1.000 1 A 37.239 1 ATOM 955 C CG1 . ILE 123 1031 ? A -19.991 -30.020 3.134 1.000 1 A 37.239 1 ATOM 956 C CG2 . ILE 123 1031 ? A -17.552 -30.408 2.610 1.000 1 A 37.239 1 ATOM 957 C CD1 . ILE 123 1031 ? A -20.100 -28.549 2.757 1.000 1 A 37.239 1 ATOM 958 N N . ARG 124 1032 ? A -17.138 -33.630 5.007 1.000 1 A 28.884 1 ATOM 959 C CA . ARG 124 1032 ? A -16.282 -34.602 4.334 1.000 1 A 28.884 1 ATOM 960 C C . ARG 124 1032 ? A -14.811 -34.223 4.471 1.000 1 A 28.884 1 ATOM 961 O O . ARG 124 1032 ? A -14.408 -33.125 4.080 1.000 1 A 28.884 1 ATOM 962 C CB . ARG 124 1032 ? A -16.658 -34.718 2.856 1.000 1 A 28.884 1 ATOM 963 C CG . ARG 124 1032 ? A -15.973 -35.867 2.134 1.000 1 A 28.884 1 ATOM 964 C CD . ARG 124 1032 ? A -16.436 -35.982 0.688 1.000 1 A 28.884 1 ATOM 965 N NE . ARG 124 1032 ? A -16.345 -37.355 0.201 1.000 1 A 28.884 1 ATOM 966 C CZ . ARG 124 1032 ? A -16.182 -37.697 -1.074 1.000 1 A 28.884 1 ATOM 967 N NH1 . ARG 124 1032 ? A -16.087 -36.769 -2.019 1.000 1 A 28.884 1 ATOM 968 N NH2 . ARG 124 1032 ? A -16.112 -38.978 -1.408 1.000 1 A 28.884 1 ATOM 969 N N . GLU 125 1033 ? A -14.274 -34.443 5.510 1.000 1 A 26.314 1 ATOM 970 C CA . GLU 125 1033 ? A -13.033 -35.042 5.992 1.000 1 A 26.314 1 ATOM 971 C C . GLU 125 1033 ? A -12.577 -36.177 5.080 1.000 1 A 26.314 1 ATOM 972 O O . GLU 125 1033 ? A -13.320 -37.134 4.852 1.000 1 A 26.314 1 ATOM 973 C CB . GLU 125 1033 ? A -13.203 -35.555 7.424 1.000 1 A 26.314 1 ATOM 974 C CG . GLU 125 1033 ? A -11.978 -35.346 8.302 1.000 1 A 26.314 1 ATOM 975 C CD . GLU 125 1033 ? A -12.167 -35.846 9.726 1.000 1 A 26.314 1 ATOM 976 O OE1 . GLU 125 1033 ? A -11.226 -35.725 10.542 1.000 1 A 26.314 1 ATOM 977 O OE2 . GLU 125 1033 ? A -13.266 -36.364 10.027 1.000 1 A 26.314 1 ATOM 978 N N . ASN 126 1034 ? A -12.125 -35.925 3.893 1.000 1 A 30.582 1 ATOM 979 C CA . ASN 126 1034 ? A -11.169 -36.741 3.151 1.000 1 A 30.582 1 ATOM 980 C C . ASN 126 1034 ? A -10.024 -37.213 4.042 1.000 1 A 30.582 1 ATOM 981 O O . ASN 126 1034 ? A -9.358 -36.401 4.687 1.000 1 A 30.582 1 ATOM 982 C CB . ASN 126 1034 ? A -10.623 -35.967 1.949 1.000 1 A 30.582 1 ATOM 983 C CG . ASN 126 1034 ? A -11.565 -35.991 0.762 1.000 1 A 30.582 1 ATOM 984 O OD1 . ASN 126 1034 ? A -12.734 -36.364 0.889 1.000 1 A 30.582 1 ATOM 985 N ND2 . ASN 126 1034 ? A -11.063 -35.594 -0.402 1.000 1 A 30.582 1 ATOM 986 N N . VAL 127 1035 ? A -10.225 -38.223 4.819 1.000 1 A 29.002 1 ATOM 987 C CA . VAL 127 1035 ? A -9.584 -39.514 5.041 1.000 1 A 29.002 1 ATOM 988 C C . VAL 127 1035 ? A -8.422 -39.689 4.066 1.000 1 A 29.002 1 ATOM 989 O O . VAL 127 1035 ? A -8.607 -39.611 2.850 1.000 1 A 29.002 1 ATOM 990 C CB . VAL 127 1035 ? A -10.587 -40.680 4.890 1.000 1 A 29.002 1 ATOM 991 C CG1 . VAL 127 1035 ? A -9.885 -42.024 5.076 1.000 1 A 29.002 1 ATOM 992 C CG2 . VAL 127 1035 ? A -11.734 -40.530 5.887 1.000 1 A 29.002 1 ATOM 993 N N . PHE 128 1036 ? A -7.315 -39.067 4.221 1.000 1 A 31.467 1 ATOM 994 C CA . PHE 128 1036 ? A -6.116 -39.767 3.775 1.000 1 A 31.467 1 ATOM 995 C C . PHE 128 1036 ? A -5.443 -40.484 4.939 1.000 1 A 31.467 1 ATOM 996 O O . PHE 128 1036 ? A -5.246 -39.897 6.005 1.000 1 A 31.467 1 ATOM 997 C CB . PHE 128 1036 ? A -5.134 -38.791 3.120 1.000 1 A 31.467 1 ATOM 998 C CG . PHE 128 1036 ? A -5.362 -38.597 1.645 1.000 1 A 31.467 1 ATOM 999 C CD1 . PHE 128 1036 ? A -4.912 -39.540 0.729 1.000 1 A 31.467 1 ATOM 1000 C CD2 . PHE 128 1036 ? A -6.028 -37.473 1.175 1.000 1 A 31.467 1 ATOM 1001 C CE1 . PHE 128 1036 ? A -5.121 -39.363 -0.637 1.000 1 A 31.467 1 ATOM 1002 C CE2 . PHE 128 1036 ? A -6.241 -37.290 -0.188 1.000 1 A 31.467 1 ATOM 1003 C CZ . PHE 128 1036 ? A -5.786 -38.236 -1.092 1.000 1 A 31.467 1 ATOM 1004 N N . LYS 129 1037 ? A -5.931 -41.661 5.360 1.000 1 A 26.690 1 ATOM 1005 C CA . LYS 129 1037 ? A -5.407 -43.018 5.482 1.000 1 A 26.690 1 ATOM 1006 C C . LYS 129 1037 ? A -3.918 -43.003 5.816 1.000 1 A 26.690 1 ATOM 1007 O O . LYS 129 1037 ? A -3.135 -42.319 5.154 1.000 1 A 26.690 1 ATOM 1008 C CB . LYS 129 1037 ? A -5.647 -43.805 4.193 1.000 1 A 26.690 1 ATOM 1009 C CG . LYS 129 1037 ? A -6.822 -44.770 4.267 1.000 1 A 26.690 1 ATOM 1010 C CD . LYS 129 1037 ? A -6.854 -45.705 3.065 1.000 1 A 26.690 1 ATOM 1011 C CE . LYS 129 1037 ? A -8.103 -46.576 3.066 1.000 1 A 26.690 1 ATOM 1012 N NZ . LYS 129 1037 ? A -8.055 -47.615 1.994 1.000 1 A 26.690 1 ATOM 1013 N N . GLU 130 1038 ? A -3.590 -42.923 7.013 1.000 1 A 25.676 1 ATOM 1014 C CA . GLU 130 1038 ? A -2.736 -43.835 7.769 1.000 1 A 25.676 1 ATOM 1015 C C . GLU 130 1038 ? A -2.169 -44.931 6.871 1.000 1 A 25.676 1 ATOM 1016 O O . GLU 130 1038 ? A -2.919 -45.745 6.326 1.000 1 A 25.676 1 ATOM 1017 C CB . GLU 130 1038 ? A -3.511 -44.458 8.933 1.000 1 A 25.676 1 ATOM 1018 C CG . GLU 130 1038 ? A -2.622 -45.008 10.039 1.000 1 A 25.676 1 ATOM 1019 C CD . GLU 130 1038 ? A -3.314 -45.067 11.391 1.000 1 A 25.676 1 ATOM 1020 O OE1 . GLU 130 1038 ? A -2.662 -45.447 12.390 1.000 1 A 25.676 1 ATOM 1021 O OE2 . GLU 130 1038 ? A -4.518 -44.732 11.452 1.000 1 A 25.676 1 ATOM 1022 N N . ALA 131 1039 ? A -1.092 -44.724 6.185 1.000 1 A 28.557 1 ATOM 1023 C CA . ALA 131 1039 ? A -0.142 -45.795 5.896 1.000 1 A 28.557 1 ATOM 1024 C C . ALA 131 1039 ? A 1.075 -45.711 6.813 1.000 1 A 28.557 1 ATOM 1025 O O . ALA 131 1039 ? A 1.713 -44.660 6.913 1.000 1 A 28.557 1 ATOM 1026 C CB . ALA 131 1039 ? A 0.294 -45.741 4.434 1.000 1 A 28.557 1 ATOM 1027 N N . SER 132 1040 ? A 0.957 -45.993 8.083 1.000 1 A 27.233 1 ATOM 1028 C CA . SER 132 1040 ? A 1.894 -46.855 8.796 1.000 1 A 27.233 1 ATOM 1029 C C . SER 132 1040 ? A 2.429 -47.959 7.889 1.000 1 A 27.233 1 ATOM 1030 O O . SER 132 1040 ? A 1.654 -48.698 7.278 1.000 1 A 27.233 1 ATOM 1031 C CB . SER 132 1040 ? A 1.226 -47.473 10.025 1.000 1 A 27.233 1 ATOM 1032 O OG . SER 132 1040 ? A 1.028 -46.497 11.033 1.000 1 A 27.233 1 ATOM 1033 N N . SER 133 1041 ? A 3.503 -47.793 7.129 1.000 1 A 29.893 1 ATOM 1034 C CA . SER 133 1041 ? A 4.410 -48.920 6.935 1.000 1 A 29.893 1 ATOM 1035 C C . SER 133 1041 ? A 5.861 -48.457 6.869 1.000 1 A 29.893 1 ATOM 1036 O O . SER 133 1041 ? A 6.193 -47.542 6.113 1.000 1 A 29.893 1 ATOM 1037 C CB . SER 133 1041 ? A 4.051 -49.683 5.660 1.000 1 A 29.893 1 ATOM 1038 O OG . SER 133 1041 ? A 4.845 -49.245 4.571 1.000 1 A 29.893 1 ATOM 1039 N N . SER 134 1042 ? A 6.478 -48.282 7.962 1.000 1 A 25.608 1 ATOM 1040 C CA . SER 134 1042 ? A 7.714 -48.946 8.363 1.000 1 A 25.608 1 ATOM 1041 C C . SER 134 1042 ? A 7.954 -50.208 7.540 1.000 1 A 25.608 1 ATOM 1042 O O . SER 134 1042 ? A 7.069 -51.058 7.424 1.000 1 A 25.608 1 ATOM 1043 C CB . SER 134 1042 ? A 7.676 -49.298 9.850 1.000 1 A 25.608 1 ATOM 1044 O OG . SER 134 1042 ? A 6.706 -50.298 10.107 1.000 1 A 25.608 1 ATOM 1045 N N . ASN 135 1043 ? A 8.735 -50.219 6.399 1.000 1 A 31.865 1 ATOM 1046 C CA . ASN 135 1043 ? A 9.576 -51.291 5.876 1.000 1 A 31.865 1 ATOM 1047 C C . ASN 135 1043 ? A 10.923 -50.761 5.394 1.000 1 A 31.865 1 ATOM 1048 O O . ASN 135 1043 ? A 10.980 -49.776 4.656 1.000 1 A 31.865 1 ATOM 1049 C CB . ASN 135 1043 ? A 8.860 -52.030 4.744 1.000 1 A 31.865 1 ATOM 1050 C CG . ASN 135 1043 ? A 8.225 -53.328 5.203 1.000 1 A 31.865 1 ATOM 1051 O OD1 . ASN 135 1043 ? A 8.127 -53.594 6.404 1.000 1 A 31.865 1 ATOM 1052 N ND2 . ASN 135 1043 ? A 7.787 -54.144 4.252 1.000 1 A 31.865 1 ATOM 1053 N N . ILE 136 1044 ? A 11.990 -50.726 6.207 1.000 1 A 27.401 1 ATOM 1054 C CA . ILE 136 1044 ? A 13.269 -51.425 6.272 1.000 1 A 27.401 1 ATOM 1055 C C . ILE 136 1044 ? A 13.428 -52.326 5.050 1.000 1 A 27.401 1 ATOM 1056 O O . ILE 136 1044 ? A 12.499 -53.047 4.677 1.000 1 A 27.401 1 ATOM 1057 C CB . ILE 136 1044 ? A 13.394 -52.256 7.570 1.000 1 A 27.401 1 ATOM 1058 C CG1 . ILE 136 1044 ? A 13.188 -51.362 8.798 1.000 1 A 27.401 1 ATOM 1059 C CG2 . ILE 136 1044 ? A 14.750 -52.965 7.629 1.000 1 A 27.401 1 ATOM 1060 C CD1 . ILE 136 1044 ? A 12.836 -52.125 10.067 1.000 1 A 27.401 1 ATOM 1061 N N . ASN 137 1045 ? A 14.356 -52.041 4.096 1.000 1 A 26.204 1 ATOM 1062 C CA . ASN 137 1045 ? A 15.423 -52.899 3.594 1.000 1 A 26.204 1 ATOM 1063 C C . ASN 137 1045 ? A 15.209 -53.261 2.127 1.000 1 A 26.204 1 ATOM 1064 O O . ASN 137 1045 ? A 14.098 -53.614 1.726 1.000 1 A 26.204 1 ATOM 1065 C CB . ASN 137 1045 ? A 15.537 -54.168 4.442 1.000 1 A 26.204 1 ATOM 1066 C CG . ASN 137 1045 ? A 16.301 -53.941 5.731 1.000 1 A 26.204 1 ATOM 1067 O OD1 . ASN 137 1045 ? A 16.919 -52.891 5.925 1.000 1 A 26.204 1 ATOM 1068 N ND2 . ASN 137 1045 ? A 16.265 -54.925 6.623 1.000 1 A 26.204 1 ATOM 1069 N N . GLU 138 1046 ? A 16.115 -52.879 1.175 1.000 1 A 30.231 1 ATOM 1070 C CA . GLU 138 1046 ? A 16.870 -53.745 0.274 1.000 1 A 30.231 1 ATOM 1071 C C . GLU 138 1046 ? A 16.906 -53.174 -1.140 1.000 1 A 30.231 1 ATOM 1072 O O . GLU 138 1046 ? A 15.868 -52.808 -1.694 1.000 1 A 30.231 1 ATOM 1073 C CB . GLU 138 1046 ? A 16.273 -55.155 0.257 1.000 1 A 30.231 1 ATOM 1074 C CG . GLU 138 1046 ? A 17.140 -56.198 0.947 1.000 1 A 30.231 1 ATOM 1075 C CD . GLU 138 1046 ? A 16.680 -57.625 0.691 1.000 1 A 30.231 1 ATOM 1076 O OE1 . GLU 138 1046 ? A 17.387 -58.573 1.099 1.000 1 A 30.231 1 ATOM 1077 O OE2 . GLU 138 1046 ? A 15.603 -57.795 0.076 1.000 1 A 30.231 1 ATOM 1078 N N . VAL 139 1047 ? A 18.034 -52.688 -1.652 1.000 1 A 25.744 1 ATOM 1079 C CA . VAL 139 1047 ? A 18.943 -53.297 -2.616 1.000 1 A 25.744 1 ATOM 1080 C C . VAL 139 1047 ? A 18.258 -53.406 -3.976 1.000 1 A 25.744 1 ATOM 1081 O O . VAL 139 1047 ? A 17.138 -53.913 -4.075 1.000 1 A 25.744 1 ATOM 1082 C CB . VAL 139 1047 ? A 19.419 -54.690 -2.146 1.000 1 A 25.744 1 ATOM 1083 C CG1 . VAL 139 1047 ? A 20.060 -55.459 -3.300 1.000 1 A 25.744 1 ATOM 1084 C CG2 . VAL 139 1047 ? A 20.399 -54.554 -0.982 1.000 1 A 25.744 1 ATOM 1085 N N . GLY 140 1048 ? A 18.616 -52.597 -4.905 1.000 1 A 27.358 1 ATOM 1086 C CA . GLY 140 1048 ? A 19.083 -53.004 -6.221 1.000 1 A 27.358 1 ATOM 1087 C C . GLY 140 1048 ? A 18.471 -52.195 -7.348 1.000 1 A 27.358 1 ATOM 1088 O O . GLY 140 1048 ? A 17.266 -51.934 -7.349 1.000 1 A 27.358 1 ATOM 1089 N N . SER 141 1049 ? A 19.190 -51.327 -7.963 1.000 1 A 31.744 1 ATOM 1090 C CA . SER 141 1049 ? A 19.544 -51.407 -9.377 1.000 1 A 31.744 1 ATOM 1091 C C . SER 141 1049 ? A 19.257 -50.092 -10.093 1.000 1 A 31.744 1 ATOM 1092 O O . SER 141 1049 ? A 18.160 -49.542 -9.976 1.000 1 A 31.744 1 ATOM 1093 C CB . SER 141 1049 ? A 18.783 -52.545 -10.057 1.000 1 A 31.744 1 ATOM 1094 O OG . SER 141 1049 ? A 18.849 -52.422 -11.468 1.000 1 A 31.744 1 ATOM 1095 N N . SER 142 1050 ? A 20.254 -49.306 -10.391 1.000 1 A 30.294 1 ATOM 1096 C CA . SER 142 1050 ? A 20.892 -49.014 -11.670 1.000 1 A 30.294 1 ATOM 1097 C C . SER 142 1050 ? A 20.118 -47.953 -12.445 1.000 1 A 30.294 1 ATOM 1098 O O . SER 142 1050 ? A 18.892 -48.028 -12.556 1.000 1 A 30.294 1 ATOM 1099 C CB . SER 142 1050 ? A 21.012 -50.285 -12.512 1.000 1 A 30.294 1 ATOM 1100 O OG . SER 142 1050 ? A 20.013 -50.319 -13.516 1.000 1 A 30.294 1 ATOM 1101 N N . THR 143 1051 ? A 20.676 -46.676 -12.646 1.000 1 A 33.778 1 ATOM 1102 C CA . THR 143 1051 ? A 21.233 -45.958 -13.787 1.000 1 A 33.778 1 ATOM 1103 C C . THR 143 1051 ? A 20.622 -44.564 -13.899 1.000 1 A 33.778 1 ATOM 1104 O O . THR 143 1051 ? A 19.406 -44.402 -13.776 1.000 1 A 33.778 1 ATOM 1105 C CB . THR 143 1051 ? A 21.002 -46.730 -15.099 1.000 1 A 33.778 1 ATOM 1106 O OG1 . THR 143 1051 ? A 19.620 -47.096 -15.195 1.000 1 A 33.778 1 ATOM 1107 C CG2 . THR 143 1051 ? A 21.856 -47.992 -15.152 1.000 1 A 33.778 1 ATOM 1108 N N . ASN 144 1052 ? A 21.299 -43.481 -13.542 1.000 1 A 29.499 1 ATOM 1109 C CA . ASN 144 1052 ? A 21.793 -42.271 -14.190 1.000 1 A 29.499 1 ATOM 1110 C C . ASN 144 1052 ? A 20.816 -41.762 -15.246 1.000 1 A 29.499 1 ATOM 1111 O O . ASN 144 1052 ? A 20.574 -42.435 -16.249 1.000 1 A 29.499 1 ATOM 1112 C CB . ASN 144 1052 ? A 23.168 -42.520 -14.814 1.000 1 A 29.499 1 ATOM 1113 C CG . ASN 144 1052 ? A 24.250 -42.740 -13.776 1.000 1 A 29.499 1 ATOM 1114 O OD1 . ASN 144 1052 ? A 24.091 -42.372 -12.609 1.000 1 A 29.499 1 ATOM 1115 N ND2 . ASN 144 1052 ? A 25.358 -43.342 -14.192 1.000 1 A 29.499 1 ATOM 1116 N N . GLU 145 1053 ? A 19.865 -40.800 -14.942 1.000 1 A 42.253 1 ATOM 1117 C CA . GLU 145 1053 ? A 19.408 -39.777 -15.878 1.000 1 A 42.253 1 ATOM 1118 C C . GLU 145 1053 ? A 19.270 -38.421 -15.191 1.000 1 A 42.253 1 ATOM 1119 O O . GLU 145 1053 ? A 18.672 -38.322 -14.118 1.000 1 A 42.253 1 ATOM 1120 C CB . GLU 145 1053 ? A 18.075 -40.184 -16.511 1.000 1 A 42.253 1 ATOM 1121 C CG . GLU 145 1053 ? A 18.216 -41.175 -17.658 1.000 1 A 42.253 1 ATOM 1122 C CD . GLU 145 1053 ? A 17.019 -41.182 -18.595 1.000 1 A 42.253 1 ATOM 1123 O OE1 . GLU 145 1053 ? A 17.098 -41.808 -19.676 1.000 1 A 42.253 1 ATOM 1124 O OE2 . GLU 145 1053 ? A 15.993 -40.556 -18.245 1.000 1 A 42.253 1 ATOM 1125 N N . VAL 146 1054 ? A 20.235 -37.494 -14.982 1.000 1 A 34.134 1 ATOM 1126 C CA . VAL 146 1054 ? A 20.557 -36.132 -15.395 1.000 1 A 34.134 1 ATOM 1127 C C . VAL 146 1054 ? A 19.393 -35.201 -15.061 1.000 1 A 34.134 1 ATOM 1128 O O . VAL 146 1054 ? A 18.240 -35.500 -15.380 1.000 1 A 34.134 1 ATOM 1129 C CB . VAL 146 1054 ? A 20.882 -36.058 -16.904 1.000 1 A 34.134 1 ATOM 1130 C CG1 . VAL 146 1054 ? A 21.051 -34.607 -17.350 1.000 1 A 34.134 1 ATOM 1131 C CG2 . VAL 146 1054 ? A 22.138 -36.868 -17.219 1.000 1 A 34.134 1 ATOM 1132 N N . GLY 147 1055 ? A 19.235 -34.568 -13.876 1.000 1 A 35.503 1 ATOM 1133 C CA . GLY 147 1055 ? A 19.204 -33.248 -13.268 1.000 1 A 35.503 1 ATOM 1134 C C . GLY 147 1055 ? A 17.912 -32.498 -13.536 1.000 1 A 35.503 1 ATOM 1135 O O . GLY 147 1055 ? A 17.651 -32.085 -14.668 1.000 1 A 35.503 1 ATOM 1136 N N . SER 148 1056 ? A 16.786 -32.830 -13.102 1.000 1 A 44.256 1 ATOM 1137 C CA . SER 148 1056 ? A 15.561 -32.039 -13.046 1.000 1 A 44.256 1 ATOM 1138 C C . SER 148 1056 ? A 15.614 -31.015 -11.918 1.000 1 A 44.256 1 ATOM 1139 O O . SER 148 1056 ? A 15.668 -31.381 -10.742 1.000 1 A 44.256 1 ATOM 1140 C CB . SER 148 1056 ? A 14.345 -32.948 -12.864 1.000 1 A 44.256 1 ATOM 1141 O OG . SER 148 1056 ? A 13.152 -32.185 -12.801 1.000 1 A 44.256 1 ATOM 1142 N N . SER 149 1057 ? A 16.603 -30.105 -11.842 1.000 1 A 49.143 1 ATOM 1143 C CA . SER 149 1057 ? A 16.853 -29.008 -10.912 1.000 1 A 49.143 1 ATOM 1144 C C . SER 149 1057 ? A 15.610 -28.143 -10.730 1.000 1 A 49.143 1 ATOM 1145 O O . SER 149 1057 ? A 14.939 -27.799 -11.705 1.000 1 A 49.143 1 ATOM 1146 C CB . SER 149 1057 ? A 18.017 -28.144 -11.402 1.000 1 A 49.143 1 ATOM 1147 O OG . SER 149 1057 ? A 17.554 -27.119 -12.265 1.000 1 A 49.143 1 ATOM 1148 N N . ILE 150 1058 ? A 14.652 -28.350 -9.930 1.000 1 A 53.615 1 ATOM 1149 C CA . ILE 150 1058 ? A 13.643 -27.698 -9.103 1.000 1 A 53.615 1 ATOM 1150 C C . ILE 150 1058 ? A 13.686 -26.189 -9.330 1.000 1 A 53.615 1 ATOM 1151 O O . ILE 150 1058 ? A 14.694 -25.540 -9.039 1.000 1 A 53.615 1 ATOM 1152 C CB . ILE 150 1058 ? A 13.844 -28.021 -7.606 1.000 1 A 53.615 1 ATOM 1153 C CG1 . ILE 150 1058 ? A 14.518 -29.388 -7.440 1.000 1 A 53.615 1 ATOM 1154 C CG2 . ILE 150 1058 ? A 12.507 -27.975 -6.859 1.000 1 A 53.615 1 ATOM 1155 C CD1 . ILE 150 1058 ? A 15.019 -29.664 -6.029 1.000 1 A 53.615 1 ATOM 1156 N N . ASN 151 1059 ? A 13.251 -25.499 -10.407 1.000 1 A 67.407 1 ATOM 1157 C CA . ASN 151 1059 ? A 13.275 -24.105 -10.838 1.000 1 A 67.407 1 ATOM 1158 C C . ASN 151 1059 ? A 12.162 -23.295 -10.178 1.000 1 A 67.407 1 ATOM 1159 O O . ASN 151 1059 ? A 11.928 -22.142 -10.543 1.000 1 A 67.407 1 ATOM 1160 C CB . ASN 151 1059 ? A 13.167 -24.013 -12.361 1.000 1 A 67.407 1 ATOM 1161 C CG . ASN 151 1059 ? A 14.425 -24.481 -13.065 1.000 1 A 67.407 1 ATOM 1162 O OD1 . ASN 151 1059 ? A 15.489 -24.595 -12.451 1.000 1 A 67.407 1 ATOM 1163 N ND2 . ASN 151 1059 ? A 14.313 -24.757 -14.359 1.000 1 A 67.407 1 ATOM 1164 N N . GLU 152 1060 ? A 11.535 -23.770 -9.020 1.000 1 A 74.742 1 ATOM 1165 C CA . GLU 152 1060 ? A 10.424 -23.018 -8.445 1.000 1 A 74.742 1 ATOM 1166 C C . GLU 152 1060 ? A 10.560 -22.906 -6.929 1.000 1 A 74.742 1 ATOM 1167 O O . GLU 152 1060 ? A 10.917 -23.877 -6.259 1.000 1 A 74.742 1 ATOM 1168 C CB . GLU 152 1060 ? A 9.088 -23.671 -8.807 1.000 1 A 74.742 1 ATOM 1169 C CG . GLU 152 1060 ? A 8.849 -23.794 -10.305 1.000 1 A 74.742 1 ATOM 1170 C CD . GLU 152 1060 ? A 7.598 -24.586 -10.650 1.000 1 A 74.742 1 ATOM 1171 O OE1 . GLU 152 1060 ? A 7.321 -24.789 -11.854 1.000 1 A 74.742 1 ATOM 1172 O OE2 . GLU 152 1060 ? A 6.889 -25.007 -9.709 1.000 1 A 74.742 1 ATOM 1173 N N . ILE 153 1061 ? A 10.520 -21.664 -6.441 1.000 1 A 79.857 1 ATOM 1174 C CA . ILE 153 1061 ? A 10.560 -21.447 -4.999 1.000 1 A 79.857 1 ATOM 1175 C C . ILE 153 1061 ? A 9.207 -20.928 -4.518 1.000 1 A 79.857 1 ATOM 1176 O O . ILE 153 1061 ? A 8.709 -19.916 -5.018 1.000 1 A 79.857 1 ATOM 1177 C CB . ILE 153 1061 ? A 11.682 -20.460 -4.606 1.000 1 A 79.857 1 ATOM 1178 C CG1 . ILE 153 1061 ? A 12.365 -20.917 -3.312 1.000 1 A 79.857 1 ATOM 1179 C CG2 . ILE 153 1061 ? A 11.128 -19.040 -4.462 1.000 1 A 79.857 1 ATOM 1180 C CD1 . ILE 153 1061 ? A 13.290 -22.113 -3.488 1.000 1 A 79.857 1 ATOM 1181 N N . GLY 154 1062 ? A 8.358 -21.720 -4.041 1.000 1 A 60.889 1 ATOM 1182 C CA . GLY 154 1062 ? A 7.087 -21.388 -3.417 1.000 1 A 60.889 1 ATOM 1183 C C . GLY 154 1062 ? A 7.227 -20.953 -1.971 1.000 1 A 60.889 1 ATOM 1184 O O . GLY 154 1062 ? A 8.328 -20.970 -1.416 1.000 1 A 60.889 1 ATOM 1185 N N . SER 155 1063 ? A 6.260 -20.040 -1.583 1.000 1 A 50.869 1 ATOM 1186 C CA . SER 155 1063 ? A 6.154 -19.477 -0.241 1.000 1 A 50.869 1 ATOM 1187 C C . SER 155 1063 ? A 5.887 -20.564 0.795 1.000 1 A 50.869 1 ATOM 1188 O O . SER 155 1063 ? A 5.045 -21.439 0.582 1.000 1 A 50.869 1 ATOM 1189 C CB . SER 155 1063 ? A 5.045 -18.426 -0.185 1.000 1 A 50.869 1 ATOM 1190 O OG . SER 155 1063 ? A 3.777 -19.021 -0.400 1.000 1 A 50.869 1 ATOM 1191 N N . SER 156 1064 ? A 6.889 -21.282 1.370 1.000 1 A 46.329 1 ATOM 1192 C CA . SER 156 1064 ? A 6.664 -22.058 2.585 1.000 1 A 46.329 1 ATOM 1193 C C . SER 156 1064 ? A 5.960 -21.225 3.651 1.000 1 A 46.329 1 ATOM 1194 O O . SER 156 1064 ? A 6.270 -20.045 3.829 1.000 1 A 46.329 1 ATOM 1195 C CB . SER 156 1064 ? A 7.988 -22.591 3.135 1.000 1 A 46.329 1 ATOM 1196 O OG . SER 156 1064 ? A 8.871 -21.525 3.439 1.000 1 A 46.329 1 ATOM 1197 N N . ASP 157 1065 ? A 4.687 -20.912 3.494 1.000 1 A 37.471 1 ATOM 1198 C CA . ASP 157 1065 ? A 3.762 -20.428 4.515 1.000 1 A 37.471 1 ATOM 1199 C C . ASP 157 1065 ? A 4.511 -20.007 5.778 1.000 1 A 37.471 1 ATOM 1200 O O . ASP 157 1065 ? A 5.109 -20.842 6.459 1.000 1 A 37.471 1 ATOM 1201 C CB . ASP 157 1065 ? A 2.725 -21.501 4.852 1.000 1 A 37.471 1 ATOM 1202 C CG . ASP 157 1065 ? A 1.604 -21.583 3.831 1.000 1 A 37.471 1 ATOM 1203 O OD1 . ASP 157 1065 ? A 1.455 -20.650 3.012 1.000 1 A 37.471 1 ATOM 1204 O OD2 . ASP 157 1065 ? A 0.860 -22.588 3.847 1.000 1 A 37.471 1 ATOM 1205 N N . GLU 158 1066 ? A 5.569 -19.243 5.683 1.000 1 A 40.751 1 ATOM 1206 C CA . GLU 158 1066 ? A 5.983 -18.525 6.885 1.000 1 A 40.751 1 ATOM 1207 C C . GLU 158 1066 ? A 4.776 -18.070 7.699 1.000 1 A 40.751 1 ATOM 1208 O O . GLU 158 1066 ? A 3.858 -17.445 7.163 1.000 1 A 40.751 1 ATOM 1209 C CB . GLU 158 1066 ? A 6.855 -17.321 6.519 1.000 1 A 40.751 1 ATOM 1210 C CG . GLU 158 1066 ? A 8.346 -17.625 6.502 1.000 1 A 40.751 1 ATOM 1211 C CD . GLU 158 1066 ? A 9.208 -16.387 6.310 1.000 1 A 40.751 1 ATOM 1212 O OE1 . GLU 158 1066 ? A 10.428 -16.447 6.588 1.000 1 A 40.751 1 ATOM 1213 O OE2 . GLU 158 1066 ? A 8.660 -15.348 5.880 1.000 1 A 40.751 1 ATOM 1214 N N . ASN 159 1067 ? A 3.993 -18.959 8.209 1.000 1 A 30.787 1 ATOM 1215 C CA . ASN 159 1067 ? A 3.186 -19.003 9.423 1.000 1 A 30.787 1 ATOM 1216 C C . ASN 159 1067 ? A 3.258 -17.687 10.192 1.000 1 A 30.787 1 ATOM 1217 O O . ASN 159 1067 ? A 4.199 -17.459 10.953 1.000 1 A 30.787 1 ATOM 1218 C CB . ASN 159 1067 ? A 3.623 -20.165 10.317 1.000 1 A 30.787 1 ATOM 1219 C CG . ASN 159 1067 ? A 2.641 -20.441 11.438 1.000 1 A 30.787 1 ATOM 1220 O OD1 . ASN 159 1067 ? A 1.481 -20.023 11.381 1.000 1 A 30.787 1 ATOM 1221 N ND2 . ASN 159 1067 ? A 3.097 -21.148 12.465 1.000 1 A 30.787 1 ATOM 1222 N N . ILE 160 1068 ? A 3.159 -16.530 9.537 1.000 1 A 38.605 1 ATOM 1223 C CA . ILE 160 1068 ? A 2.789 -15.470 10.468 1.000 1 A 38.605 1 ATOM 1224 C C . ILE 160 1068 ? A 1.292 -15.540 10.761 1.000 1 A 38.605 1 ATOM 1225 O O . ILE 160 1068 ? A 0.468 -15.401 9.854 1.000 1 A 38.605 1 ATOM 1226 C CB . ILE 160 1068 ? A 3.161 -14.076 9.913 1.000 1 A 38.605 1 ATOM 1227 C CG1 . ILE 160 1068 ? A 4.660 -14.009 9.599 1.000 1 A 38.605 1 ATOM 1228 C CG2 . ILE 160 1068 ? A 2.759 -12.977 10.901 1.000 1 A 38.605 1 ATOM 1229 C CD1 . ILE 160 1068 ? A 5.090 -12.725 8.903 1.000 1 A 38.605 1 ATOM 1230 N N . GLN 161 1069 ? A 0.797 -16.720 11.199 1.000 1 A 32.147 1 ATOM 1231 C CA . GLN 161 1069 ? A -0.527 -17.002 11.744 1.000 1 A 32.147 1 ATOM 1232 C C . GLN 161 1069 ? A -1.047 -15.824 12.563 1.000 1 A 32.147 1 ATOM 1233 O O . GLN 161 1069 ? A -0.418 -15.415 13.541 1.000 1 A 32.147 1 ATOM 1234 C CB . GLN 161 1069 ? A -0.496 -18.266 12.604 1.000 1 A 32.147 1 ATOM 1235 C CG . GLN 161 1069 ? A -1.875 -18.828 12.922 1.000 1 A 32.147 1 ATOM 1236 C CD . GLN 161 1069 ? A -1.828 -20.270 13.391 1.000 1 A 32.147 1 ATOM 1237 O OE1 . GLN 161 1069 ? A -0.788 -20.931 13.305 1.000 1 A 32.147 1 ATOM 1238 N NE2 . GLN 161 1069 ? A -2.955 -20.769 13.888 1.000 1 A 32.147 1 ATOM 1239 N N . ALA 162 1070 ? A -1.206 -14.661 11.984 1.000 1 A 38.928 1 ATOM 1240 C CA . ALA 162 1070 ? A -2.114 -13.721 12.637 1.000 1 A 38.928 1 ATOM 1241 C C . ALA 162 1070 ? A -3.278 -14.453 13.299 1.000 1 A 38.928 1 ATOM 1242 O O . ALA 162 1070 ? A -3.915 -15.309 12.679 1.000 1 A 38.928 1 ATOM 1243 C CB . ALA 162 1070 ? A -2.636 -12.699 11.631 1.000 1 A 38.928 1 ATOM 1244 N N . GLU 163 1071 ? A -3.039 -15.427 14.247 1.000 1 A 33.920 1 ATOM 1245 C CA . GLU 163 1071 ? A -4.071 -15.925 15.151 1.000 1 A 33.920 1 ATOM 1246 C C . GLU 163 1071 ? A -5.401 -15.214 14.917 1.000 1 A 33.920 1 ATOM 1247 O O . GLU 163 1071 ? A -5.480 -13.987 15.014 1.000 1 A 33.920 1 ATOM 1248 C CB . GLU 163 1071 ? A -3.635 -15.759 16.609 1.000 1 A 33.920 1 ATOM 1249 C CG . GLU 163 1071 ? A -2.735 -16.877 17.113 1.000 1 A 33.920 1 ATOM 1250 C CD . GLU 163 1071 ? A -3.427 -17.808 18.096 1.000 1 A 33.920 1 ATOM 1251 O OE1 . GLU 163 1071 ? A -3.004 -18.980 18.223 1.000 1 A 33.920 1 ATOM 1252 O OE2 . GLU 163 1071 ? A -4.401 -17.363 18.742 1.000 1 A 33.920 1 ATOM 1253 N N . LEU 164 1072 ? A -6.043 -15.412 13.782 1.000 1 A 35.949 1 ATOM 1254 C CA . LEU 164 1072 ? A -7.433 -15.239 13.374 1.000 1 A 35.949 1 ATOM 1255 C C . LEU 164 1072 ? A -8.374 -15.411 14.562 1.000 1 A 35.949 1 ATOM 1256 O O . LEU 164 1072 ? A -8.571 -16.527 15.048 1.000 1 A 35.949 1 ATOM 1257 C CB . LEU 164 1072 ? A -7.797 -16.238 12.272 1.000 1 A 35.949 1 ATOM 1258 C CG . LEU 164 1072 ? A -7.477 -15.812 10.839 1.000 1 A 35.949 1 ATOM 1259 C CD1 . LEU 164 1072 ? A -7.411 -17.032 9.926 1.000 1 A 35.949 1 ATOM 1260 C CD2 . LEU 164 1072 ? A -8.515 -14.815 10.333 1.000 1 A 35.949 1 ATOM 1261 N N . GLY 165 1073 ? A -8.115 -14.748 15.732 1.000 1 A 32.788 1 ATOM 1262 C CA . GLY 165 1073 ? A -8.968 -14.697 16.908 1.000 1 A 32.788 1 ATOM 1263 C C . GLY 165 1073 ? A -10.226 -13.876 16.697 1.000 1 A 32.788 1 ATOM 1264 O O . GLY 165 1073 ? A -10.192 -12.835 16.037 1.000 1 A 32.788 1 ATOM 1265 N N . ARG 166 1074 ? A -11.419 -14.459 16.112 1.000 1 A 37.620 1 ATOM 1266 C CA . ARG 166 1074 ? A -12.852 -14.306 16.341 1.000 1 A 37.620 1 ATOM 1267 C C . ARG 166 1074 ? A -13.613 -14.232 15.021 1.000 1 A 37.620 1 ATOM 1268 O O . ARG 166 1074 ? A -13.206 -13.517 14.103 1.000 1 A 37.620 1 ATOM 1269 C CB . ARG 166 1074 ? A -13.132 -13.056 17.177 1.000 1 A 37.620 1 ATOM 1270 C CG . ARG 166 1074 ? A -13.899 -13.333 18.461 1.000 1 A 37.620 1 ATOM 1271 C CD . ARG 166 1074 ? A -14.123 -12.063 19.269 1.000 1 A 37.620 1 ATOM 1272 N NE . ARG 166 1074 ? A -14.576 -12.360 20.625 1.000 1 A 37.620 1 ATOM 1273 C CZ . ARG 166 1074 ? A -14.721 -11.456 21.591 1.000 1 A 37.620 1 ATOM 1274 N NH1 . ARG 166 1074 ? A -14.450 -10.176 21.368 1.000 1 A 37.620 1 ATOM 1275 N NH2 . ARG 166 1074 ? A -15.140 -11.836 22.789 1.000 1 A 37.620 1 ATOM 1276 N N . ASN 167 1075 ? A -13.979 -15.329 14.406 1.000 1 A 37.742 1 ATOM 1277 C CA . ASN 167 1075 ? A -14.902 -15.925 13.446 1.000 1 A 37.742 1 ATOM 1278 C C . ASN 167 1075 ? A -16.121 -15.036 13.216 1.000 1 A 37.742 1 ATOM 1279 O O . ASN 167 1075 ? A -16.915 -15.288 12.307 1.000 1 A 37.742 1 ATOM 1280 C CB . ASN 167 1075 ? A -15.339 -17.315 13.912 1.000 1 A 37.742 1 ATOM 1281 C CG . ASN 167 1075 ? A -14.199 -18.315 13.914 1.000 1 A 37.742 1 ATOM 1282 O OD1 . ASN 167 1075 ? A -13.345 -18.302 13.025 1.000 1 A 37.742 1 ATOM 1283 N ND2 . ASN 167 1075 ? A -14.178 -19.188 14.914 1.000 1 A 37.742 1 ATOM 1284 N N . ARG 168 1076 ? A -15.985 -13.656 13.017 1.000 1 A 46.030 1 ATOM 1285 C CA . ARG 168 1076 ? A -17.064 -12.888 12.404 1.000 1 A 46.030 1 ATOM 1286 C C . ARG 168 1076 ? A -16.521 -11.655 11.688 1.000 1 A 46.030 1 ATOM 1287 O O . ARG 168 1076 ? A -17.205 -11.067 10.849 1.000 1 A 46.030 1 ATOM 1288 C CB . ARG 168 1076 ? A -18.093 -12.472 13.456 1.000 1 A 46.030 1 ATOM 1289 C CG . ARG 168 1076 ? A -19.527 -12.811 13.083 1.000 1 A 46.030 1 ATOM 1290 C CD . ARG 168 1076 ? A -20.512 -12.344 14.146 1.000 1 A 46.030 1 ATOM 1291 N NE . ARG 168 1076 ? A -21.792 -13.038 14.037 1.000 1 A 46.030 1 ATOM 1292 C CZ . ARG 168 1076 ? A -22.864 -12.773 14.779 1.000 1 A 46.030 1 ATOM 1293 N NH1 . ARG 168 1076 ? A -22.830 -11.820 15.703 1.000 1 A 46.030 1 ATOM 1294 N NH2 . ARG 168 1076 ? A -23.978 -13.465 14.596 1.000 1 A 46.030 1 ATOM 1295 N N . GLY 169 1077 ? A -15.093 -11.455 11.606 1.000 1 A 47.990 1 ATOM 1296 C CA . GLY 169 1077 ? A -14.323 -10.352 11.053 1.000 1 A 47.990 1 ATOM 1297 C C . GLY 169 1077 ? A -13.708 -10.670 9.704 1.000 1 A 47.990 1 ATOM 1298 O O . GLY 169 1077 ? A -13.517 -9.776 8.877 1.000 1 A 47.990 1 ATOM 1299 N N . PRO 170 1078 ? A -13.743 -12.000 9.237 1.000 1 A 52.721 1 ATOM 1300 C CA . PRO 170 1078 ? A -13.014 -12.321 8.008 1.000 1 A 52.721 1 ATOM 1301 C C . PRO 170 1078 ? A -13.760 -11.885 6.748 1.000 1 A 52.721 1 ATOM 1302 O O . PRO 170 1078 ? A -13.134 -11.487 5.762 1.000 1 A 52.721 1 ATOM 1303 C CB . PRO 170 1078 ? A -12.881 -13.845 8.063 1.000 1 A 52.721 1 ATOM 1304 C CG . PRO 170 1078 ? A -13.314 -14.216 9.445 1.000 1 A 52.721 1 ATOM 1305 C CD . PRO 170 1078 ? A -14.022 -13.040 10.055 1.000 1 A 52.721 1 ATOM 1306 N N . LYS 171 1079 ? A -15.140 -11.806 6.867 1.000 1 A 54.798 1 ATOM 1307 C CA . LYS 171 1079 ? A -15.869 -11.534 5.631 1.000 1 A 54.798 1 ATOM 1308 C C . LYS 171 1079 ? A -15.773 -10.059 5.249 1.000 1 A 54.798 1 ATOM 1309 O O . LYS 171 1079 ? A -15.571 -9.727 4.080 1.000 1 A 54.798 1 ATOM 1310 C CB . LYS 171 1079 ? A -17.336 -11.944 5.771 1.000 1 A 54.798 1 ATOM 1311 C CG . LYS 171 1079 ? A -18.107 -11.940 4.460 1.000 1 A 54.798 1 ATOM 1312 C CD . LYS 171 1079 ? A -19.520 -12.480 4.641 1.000 1 A 54.798 1 ATOM 1313 C CE . LYS 171 1079 ? A -20.307 -12.439 3.337 1.000 1 A 54.798 1 ATOM 1314 N NZ . LYS 171 1079 ? A -21.675 -13.016 3.498 1.000 1 A 54.798 1 ATOM 1315 N N . LEU 172 1080 ? A -15.792 -9.277 6.295 1.000 1 A 52.929 1 ATOM 1316 C CA . LEU 172 1080 ? A -15.806 -7.841 6.036 1.000 1 A 52.929 1 ATOM 1317 C C . LEU 172 1080 ? A -14.406 -7.334 5.707 1.000 1 A 52.929 1 ATOM 1318 O O . LEU 172 1080 ? A -14.239 -6.484 4.829 1.000 1 A 52.929 1 ATOM 1319 C CB . LEU 172 1080 ? A -16.365 -7.083 7.243 1.000 1 A 52.929 1 ATOM 1320 C CG . LEU 172 1080 ? A -17.875 -7.185 7.467 1.000 1 A 52.929 1 ATOM 1321 C CD1 . LEU 172 1080 ? A -18.267 -6.478 8.760 1.000 1 A 52.929 1 ATOM 1322 C CD2 . LEU 172 1080 ? A -18.632 -6.599 6.280 1.000 1 A 52.929 1 ATOM 1323 N N . ASN 173 1081 ? A -13.350 -7.936 6.405 1.000 1 A 56.071 1 ATOM 1324 C CA . ASN 173 1081 ? A -11.952 -7.644 6.106 1.000 1 A 56.071 1 ATOM 1325 C C . ASN 173 1081 ? A -11.601 -8.000 4.665 1.000 1 A 56.071 1 ATOM 1326 O O . ASN 173 1081 ? A -10.878 -7.260 3.996 1.000 1 A 56.071 1 ATOM 1327 C CB . ASN 173 1081 ? A -11.029 -8.384 7.077 1.000 1 A 56.071 1 ATOM 1328 C CG . ASN 173 1081 ? A -9.642 -7.775 7.143 1.000 1 A 56.071 1 ATOM 1329 O OD1 . ASN 173 1081 ? A -9.300 -6.894 6.351 1.000 1 A 56.071 1 ATOM 1330 N ND2 . ASN 173 1081 ? A -8.835 -8.241 8.088 1.000 1 A 56.071 1 ATOM 1331 N N . ALA 174 1082 ? A -12.294 -9.084 4.303 1.000 1 A 61.409 1 ATOM 1332 C CA . ALA 174 1082 ? A -12.101 -9.519 2.923 1.000 1 A 61.409 1 ATOM 1333 C C . ALA 174 1082 ? A -12.693 -8.511 1.942 1.000 1 A 61.409 1 ATOM 1334 O O . ALA 174 1082 ? A -12.101 -8.231 0.897 1.000 1 A 61.409 1 ATOM 1335 C CB . ALA 174 1082 ? A -12.723 -10.896 2.706 1.000 1 A 61.409 1 ATOM 1336 N N . MET 175 1083 ? A -13.836 -7.925 2.387 1.000 1 A 64.873 1 ATOM 1337 C CA . MET 175 1083 ? A -14.508 -6.942 1.542 1.000 1 A 64.873 1 ATOM 1338 C C . MET 175 1083 ? A -13.665 -5.680 1.399 1.000 1 A 64.873 1 ATOM 1339 O O . MET 175 1083 ? A -13.571 -5.111 0.310 1.000 1 A 64.873 1 ATOM 1340 C CB . MET 175 1083 ? A -15.883 -6.592 2.113 1.000 1 A 64.873 1 ATOM 1341 C CG . MET 175 1083 ? A -16.755 -5.790 1.161 1.000 1 A 64.873 1 ATOM 1342 S SD . MET 175 1083 ? A -18.403 -5.405 1.872 1.000 1 A 64.873 1 ATOM 1343 C CE . MET 175 1083 ? A -17.957 -4.055 2.999 1.000 1 A 64.873 1 ATOM 1344 N N . LEU 176 1084 ? A -13.191 -5.209 2.560 1.000 1 A 63.827 1 ATOM 1345 C CA . LEU 176 1084 ? A -12.343 -4.022 2.535 1.000 1 A 63.827 1 ATOM 1346 C C . LEU 176 1084 ? A -11.071 -4.280 1.735 1.000 1 A 63.827 1 ATOM 1347 O O . LEU 176 1084 ? A -10.577 -3.388 1.041 1.000 1 A 63.827 1 ATOM 1348 C CB . LEU 176 1084 ? A -11.986 -3.588 3.959 1.000 1 A 63.827 1 ATOM 1349 C CG . LEU 176 1084 ? A -13.105 -2.933 4.769 1.000 1 A 63.827 1 ATOM 1350 C CD1 . LEU 176 1084 ? A -12.656 -2.708 6.209 1.000 1 A 63.827 1 ATOM 1351 C CD2 . LEU 176 1084 ? A -13.532 -1.618 4.126 1.000 1 A 63.827 1 ATOM 1352 N N . ARG 177 1085 ? A -10.659 -5.566 1.901 1.000 1 A 63.512 1 ATOM 1353 C CA . ARG 177 1085 ? A -9.485 -5.969 1.135 1.000 1 A 63.512 1 ATOM 1354 C C . ARG 177 1085 ? A -9.772 -5.944 -0.362 1.000 1 A 63.512 1 ATOM 1355 O O . ARG 177 1085 ? A -8.907 -5.577 -1.160 1.000 1 A 63.512 1 ATOM 1356 C CB . ARG 177 1085 ? A -9.021 -7.365 1.556 1.000 1 A 63.512 1 ATOM 1357 C CG . ARG 177 1085 ? A -8.369 -7.410 2.928 1.000 1 A 63.512 1 ATOM 1358 C CD . ARG 177 1085 ? A -7.618 -8.716 3.154 1.000 1 A 63.512 1 ATOM 1359 N NE . ARG 177 1085 ? A -6.994 -8.757 4.473 1.000 1 A 63.512 1 ATOM 1360 C CZ . ARG 177 1085 ? A -6.238 -9.755 4.922 1.000 1 A 63.512 1 ATOM 1361 N NH1 . ARG 177 1085 ? A -5.997 -10.818 4.163 1.000 1 A 63.512 1 ATOM 1362 N NH2 . ARG 177 1085 ? A -5.719 -9.690 6.140 1.000 1 A 63.512 1 ATOM 1363 N N . LEU 178 1086 ? A -11.017 -6.220 -0.679 1.000 1 A 59.576 1 ATOM 1364 C CA . LEU 178 1086 ? A -11.411 -6.225 -2.084 1.000 1 A 59.576 1 ATOM 1365 C C . LEU 178 1086 ? A -11.636 -4.804 -2.590 1.000 1 A 59.576 1 ATOM 1366 O O . LEU 178 1086 ? A -11.403 -4.515 -3.766 1.000 1 A 59.576 1 ATOM 1367 C CB . LEU 178 1086 ? A -12.681 -7.057 -2.282 1.000 1 A 59.576 1 ATOM 1368 C CG . LEU 178 1086 ? A -12.600 -8.182 -3.314 1.000 1 A 59.576 1 ATOM 1369 C CD1 . LEU 178 1086 ? A -12.131 -9.474 -2.654 1.000 1 A 59.576 1 ATOM 1370 C CD2 . LEU 178 1086 ? A -13.950 -8.383 -3.994 1.000 1 A 59.576 1 ATOM 1371 N N . GLY 179 1087 ? A -12.179 -3.932 -1.592 1.000 1 A 55.096 1 ATOM 1372 C CA . GLY 179 1087 ? A -12.455 -2.561 -1.989 1.000 1 A 55.096 1 ATOM 1373 C C . GLY 179 1087 ? A -11.203 -1.777 -2.335 1.000 1 A 55.096 1 ATOM 1374 O O . GLY 179 1087 ? A -11.280 -0.720 -2.965 1.000 1 A 55.096 1 ATOM 1375 N N . VAL 180 1088 ? A -9.919 -2.315 -1.795 1.000 1 A 51.272 1 ATOM 1376 C CA . VAL 180 1088 ? A -8.647 -1.708 -2.176 1.000 1 A 51.272 1 ATOM 1377 C C . VAL 180 1088 ? A -8.529 -1.667 -3.698 1.000 1 A 51.272 1 ATOM 1378 O O . VAL 180 1088 ? A -7.954 -0.730 -4.257 1.000 1 A 51.272 1 ATOM 1379 C CB . VAL 180 1088 ? A -7.450 -2.472 -1.568 1.000 1 A 51.272 1 ATOM 1380 C CG1 . VAL 180 1088 ? A -6.128 -1.869 -2.042 1.000 1 A 51.272 1 ATOM 1381 C CG2 . VAL 180 1088 ? A -7.529 -2.461 -0.043 1.000 1 A 51.272 1 ATOM 1382 N N . LEU 181 1089 ? A -9.234 -2.519 -4.482 1.000 1 A 43.313 1 ATOM 1383 C CA . LEU 181 1089 ? A -9.042 -2.701 -5.917 1.000 1 A 43.313 1 ATOM 1384 C C . LEU 181 1089 ? A -9.987 -1.804 -6.710 1.000 1 A 43.313 1 ATOM 1385 O O . LEU 181 1089 ? A -9.719 -1.486 -7.870 1.000 1 A 43.313 1 ATOM 1386 C CB . LEU 181 1089 ? A -9.263 -4.165 -6.306 1.000 1 A 43.313 1 ATOM 1387 C CG . LEU 181 1089 ? A -8.229 -5.167 -5.789 1.000 1 A 43.313 1 ATOM 1388 C CD1 . LEU 181 1089 ? A -8.759 -6.591 -5.923 1.000 1 A 43.313 1 ATOM 1389 C CD2 . LEU 181 1089 ? A -6.911 -5.009 -6.538 1.000 1 A 43.313 1 ATOM 1390 N N . GLN 182 1090 ? A -10.816 -0.980 -6.087 1.000 1 A 44.086 1 ATOM 1391 C CA . GLN 182 1090 ? A -11.648 -0.283 -7.062 1.000 1 A 44.086 1 ATOM 1392 C C . GLN 182 1090 ? A -11.831 1.183 -6.680 1.000 1 A 44.086 1 ATOM 1393 O O . GLN 182 1090 ? A -12.574 1.499 -5.748 1.000 1 A 44.086 1 ATOM 1394 C CB . GLN 182 1090 ? A -13.010 -0.966 -7.192 1.000 1 A 44.086 1 ATOM 1395 C CG . GLN 182 1090 ? A -12.947 -2.346 -7.832 1.000 1 A 44.086 1 ATOM 1396 C CD . GLN 182 1090 ? A -12.809 -2.287 -9.342 1.000 1 A 44.086 1 ATOM 1397 O OE1 . GLN 182 1090 ? A -13.370 -1.403 -9.996 1.000 1 A 44.086 1 ATOM 1398 N NE2 . GLN 182 1090 ? A -12.060 -3.229 -9.905 1.000 1 A 44.086 1 ATOM 1399 N N . PRO 183 1091 ? A -10.885 2.104 -6.874 1.000 1 A 45.863 1 ATOM 1400 C CA . PRO 183 1091 ? A -11.543 3.412 -6.836 1.000 1 A 45.863 1 ATOM 1401 C C . PRO 183 1091 ? A -12.482 3.634 -8.020 1.000 1 A 45.863 1 ATOM 1402 O O . PRO 183 1091 ? A -12.161 3.250 -9.147 1.000 1 A 45.863 1 ATOM 1403 C CB . PRO 183 1091 ? A -10.372 4.397 -6.876 1.000 1 A 45.863 1 ATOM 1404 C CG . PRO 183 1091 ? A -9.158 3.541 -7.042 1.000 1 A 45.863 1 ATOM 1405 C CD . PRO 183 1091 ? A -9.597 2.111 -7.177 1.000 1 A 45.863 1 ATOM 1406 N N . GLU 184 1092 ? A -13.577 2.875 -8.239 1.000 1 A 43.747 1 ATOM 1407 C CA . GLU 184 1092 ? A -14.380 3.269 -9.393 1.000 1 A 43.747 1 ATOM 1408 C C . GLU 184 1092 ? A -13.841 4.546 -10.031 1.000 1 A 43.747 1 ATOM 1409 O O . GLU 184 1092 ? A -13.651 5.555 -9.348 1.000 1 A 43.747 1 ATOM 1410 C CB . GLU 184 1092 ? A -15.844 3.459 -8.991 1.000 1 A 43.747 1 ATOM 1411 C CG . GLU 184 1092 ? A -16.761 2.336 -9.454 1.000 1 A 43.747 1 ATOM 1412 C CD . GLU 184 1092 ? A -18.125 2.360 -8.784 1.000 1 A 43.747 1 ATOM 1413 O OE1 . GLU 184 1092 ? A -18.941 1.444 -9.034 1.000 1 A 43.747 1 ATOM 1414 O OE2 . GLU 184 1092 ? A -18.381 3.303 -8.003 1.000 1 A 43.747 1 ATOM 1415 N N . VAL 185 1093 ? A -12.724 4.552 -10.717 1.000 1 A 35.462 1 ATOM 1416 C CA . VAL 185 1093 ? A -12.385 5.405 -11.851 1.000 1 A 35.462 1 ATOM 1417 C C . VAL 185 1093 ? A -13.660 5.966 -12.476 1.000 1 A 35.462 1 ATOM 1418 O O . VAL 185 1093 ? A -14.569 5.211 -12.831 1.000 1 A 35.462 1 ATOM 1419 C CB . VAL 185 1093 ? A -11.564 4.638 -12.912 1.000 1 A 35.462 1 ATOM 1420 C CG1 . VAL 185 1093 ? A -11.222 5.548 -14.091 1.000 1 A 35.462 1 ATOM 1421 C CG2 . VAL 185 1093 ? A -10.292 4.065 -12.290 1.000 1 A 35.462 1 ATOM 1422 N N . TYR 186 1094 ? A -14.488 6.753 -11.840 1.000 1 A 30.761 1 ATOM 1423 C CA . TYR 186 1094 ? A -15.425 7.454 -12.711 1.000 1 A 30.761 1 ATOM 1424 C C . TYR 186 1094 ? A -14.811 7.702 -14.084 1.000 1 A 30.761 1 ATOM 1425 O O . TYR 186 1094 ? A -13.701 8.228 -14.189 1.000 1 A 30.761 1 ATOM 1426 C CB . TYR 186 1094 ? A -15.852 8.784 -12.082 1.000 1 A 30.761 1 ATOM 1427 C CG . TYR 186 1094 ? A -17.332 8.874 -11.800 1.000 1 A 30.761 1 ATOM 1428 C CD1 . TYR 186 1094 ? A -18.205 9.438 -12.727 1.000 1 A 30.761 1 ATOM 1429 C CD2 . TYR 186 1094 ? A -17.860 8.396 -10.605 1.000 1 A 30.761 1 ATOM 1430 C CE1 . TYR 186 1094 ? A -19.569 9.525 -12.471 1.000 1 A 30.761 1 ATOM 1431 C CE2 . TYR 186 1094 ? A -19.223 8.477 -10.338 1.000 1 A 30.761 1 ATOM 1432 C CZ . TYR 186 1094 ? A -20.068 9.042 -11.275 1.000 1 A 30.761 1 ATOM 1433 O OH . TYR 186 1094 ? A -21.418 9.125 -11.016 1.000 1 A 30.761 1 ATOM 1434 N N . LYS 187 1095 ? A -14.560 6.705 -14.956 1.000 1 A 30.971 1 ATOM 1435 C CA . LYS 187 1095 ? A -14.438 6.748 -16.410 1.000 1 A 30.971 1 ATOM 1436 C C . LYS 187 1095 ? A -14.741 8.145 -16.945 1.000 1 A 30.971 1 ATOM 1437 O O . LYS 187 1095 ? A -15.820 8.689 -16.700 1.000 1 A 30.971 1 ATOM 1438 C CB . LYS 187 1095 ? A -15.371 5.725 -17.058 1.000 1 A 30.971 1 ATOM 1439 C CG . LYS 187 1095 ? A -14.823 4.305 -17.066 1.000 1 A 30.971 1 ATOM 1440 C CD . LYS 187 1095 ? A -15.391 3.493 -18.222 1.000 1 A 30.971 1 ATOM 1441 C CE . LYS 187 1095 ? A -14.969 2.032 -18.142 1.000 1 A 30.971 1 ATOM 1442 N NZ . LYS 187 1095 ? A -15.500 1.238 -19.289 1.000 1 A 30.971 1 ATOM 1443 N N . GLN 188 1096 ? A -14.002 9.196 -16.826 1.000 1 A 30.292 1 ATOM 1444 C CA . GLN 188 1096 ? A -14.038 10.299 -17.780 1.000 1 A 30.292 1 ATOM 1445 C C . GLN 188 1096 ? A -14.337 9.798 -19.190 1.000 1 A 30.292 1 ATOM 1446 O O . GLN 188 1096 ? A -13.599 8.972 -19.730 1.000 1 A 30.292 1 ATOM 1447 C CB . GLN 188 1096 ? A -12.715 11.066 -17.764 1.000 1 A 30.292 1 ATOM 1448 C CG . GLN 188 1096 ? A -12.876 12.573 -17.913 1.000 1 A 30.292 1 ATOM 1449 C CD . GLN 188 1096 ? A -11.588 13.330 -17.645 1.000 1 A 30.292 1 ATOM 1450 O OE1 . GLN 188 1096 ? A -10.539 12.728 -17.395 1.000 1 A 30.292 1 ATOM 1451 N NE2 . GLN 188 1096 ? A -11.659 14.656 -17.695 1.000 1 A 30.292 1 ATOM 1452 N N . SER 189 1097 ? A -15.439 8.989 -19.454 1.000 1 A 30.277 1 ATOM 1453 C CA . SER 189 1097 ? A -15.953 8.867 -20.814 1.000 1 A 30.277 1 ATOM 1454 C C . SER 189 1097 ? A -15.600 10.092 -21.651 1.000 1 A 30.277 1 ATOM 1455 O O . SER 189 1097 ? A -15.686 11.224 -21.170 1.000 1 A 30.277 1 ATOM 1456 C CB . SER 189 1097 ? A -17.469 8.669 -20.799 1.000 1 A 30.277 1 ATOM 1457 O OG . SER 189 1097 ? A -18.083 9.557 -19.880 1.000 1 A 30.277 1 ATOM 1458 N N . LEU 190 1098 ? A -14.432 10.181 -22.310 1.000 1 A 29.581 1 ATOM 1459 C CA . LEU 190 1098 ? A -14.219 10.817 -23.605 1.000 1 A 29.581 1 ATOM 1460 C C . LEU 190 1098 ? A -15.549 11.135 -24.279 1.000 1 A 29.581 1 ATOM 1461 O O . LEU 190 1098 ? A -16.420 10.268 -24.384 1.000 1 A 29.581 1 ATOM 1462 C CB . LEU 190 1098 ? A -13.375 9.918 -24.512 1.000 1 A 29.581 1 ATOM 1463 C CG . LEU 190 1098 ? A -11.867 10.171 -24.504 1.000 1 A 29.581 1 ATOM 1464 C CD1 . LEU 190 1098 ? A -11.109 8.855 -24.367 1.000 1 A 29.581 1 ATOM 1465 C CD2 . LEU 190 1098 ? A -11.442 10.910 -25.769 1.000 1 A 29.581 1 ATOM 1466 N N . PRO 191 1099 ? A -16.124 12.351 -24.216 1.000 1 A 35.762 1 ATOM 1467 C CA . PRO 191 1099 ? A -17.403 12.818 -24.758 1.000 1 A 35.762 1 ATOM 1468 C C . PRO 191 1099 ? A -17.605 12.420 -26.218 1.000 1 A 35.762 1 ATOM 1469 O O . PRO 191 1099 ? A -16.726 12.651 -27.052 1.000 1 A 35.762 1 ATOM 1470 C CB . PRO 191 1099 ? A -17.312 14.339 -24.614 1.000 1 A 35.762 1 ATOM 1471 C CG . PRO 191 1099 ? A -15.874 14.609 -24.308 1.000 1 A 35.762 1 ATOM 1472 C CD . PRO 191 1099 ? A -15.106 13.327 -24.457 1.000 1 A 35.762 1 ATOM 1473 N N . GLY 192 1100 ? A -17.907 11.198 -26.566 1.000 1 A 30.599 1 ATOM 1474 C CA . GLY 192 1100 ? A -18.696 10.998 -27.771 1.000 1 A 30.599 1 ATOM 1475 C C . GLY 192 1100 ? A -20.025 11.729 -27.743 1.000 1 A 30.599 1 ATOM 1476 O O . GLY 192 1100 ? A -20.720 11.725 -26.725 1.000 1 A 30.599 1 ATOM 1477 N N . SER 193 1101 ? A -20.016 13.084 -27.908 1.000 1 A 30.634 1 ATOM 1478 C CA . SER 193 1101 ? A -20.888 13.862 -28.782 1.000 1 A 30.634 1 ATOM 1479 C C . SER 193 1101 ? A -22.303 13.294 -28.800 1.000 1 A 30.634 1 ATOM 1480 O O . SER 193 1101 ? A -22.489 12.083 -28.936 1.000 1 A 30.634 1 ATOM 1481 C CB . SER 193 1101 ? A -20.326 13.900 -30.204 1.000 1 A 30.634 1 ATOM 1482 O OG . SER 193 1101 ? A -21.362 14.113 -31.148 1.000 1 A 30.634 1 ATOM 1483 N N . ASN 194 1102 ? A -23.171 13.767 -27.928 1.000 1 A 29.258 1 ATOM 1484 C CA . ASN 194 1102 ? A -24.505 14.317 -28.141 1.000 1 A 29.258 1 ATOM 1485 C C . ASN 194 1102 ? A -25.527 13.694 -27.194 1.000 1 A 29.258 1 ATOM 1486 O O . ASN 194 1102 ? A -25.884 12.524 -27.343 1.000 1 A 29.258 1 ATOM 1487 C CB . ASN 194 1102 ? A -24.941 14.122 -29.595 1.000 1 A 29.258 1 ATOM 1488 C CG . ASN 194 1102 ? A -24.330 15.147 -30.530 1.000 1 A 29.258 1 ATOM 1489 O OD1 . ASN 194 1102 ? A -23.888 16.215 -30.098 1.000 1 A 29.258 1 ATOM 1490 N ND2 . ASN 194 1102 ? A -24.301 14.830 -31.819 1.000 1 A 29.258 1 ATOM 1491 N N . CYS 195 1103 ? A -25.584 14.071 -25.960 1.000 1 A 32.910 1 ATOM 1492 C CA . CYS 195 1103 ? A -26.903 13.777 -25.410 1.000 1 A 32.910 1 ATOM 1493 C C . CYS 195 1103 ? A -27.385 14.909 -24.511 1.000 1 A 32.910 1 ATOM 1494 O O . CYS 195 1103 ? A -26.622 15.424 -23.691 1.000 1 A 32.910 1 ATOM 1495 C CB . CYS 195 1103 ? A -26.875 12.466 -24.624 1.000 1 A 32.910 1 ATOM 1496 S SG . CYS 195 1103 ? A -28.503 11.715 -24.404 1.000 1 A 32.910 1 ATOM 1497 N N . LYS 196 1104 ? A -28.024 15.964 -25.097 1.000 1 A 32.580 1 ATOM 1498 C CA . LYS 196 1104 ? A -29.130 16.880 -24.837 1.000 1 A 32.580 1 ATOM 1499 C C . LYS 196 1104 ? A -29.570 16.812 -23.378 1.000 1 A 32.580 1 ATOM 1500 O O . LYS 196 1104 ? A -29.850 15.730 -22.858 1.000 1 A 32.580 1 ATOM 1501 C CB . LYS 196 1104 ? A -30.313 16.568 -25.756 1.000 1 A 32.580 1 ATOM 1502 C CG . LYS 196 1104 ? A -30.053 16.873 -27.224 1.000 1 A 32.580 1 ATOM 1503 C CD . LYS 196 1104 ? A -31.348 17.168 -27.971 1.000 1 A 32.580 1 ATOM 1504 C CE . LYS 196 1104 ? A -31.090 17.466 -29.442 1.000 1 A 32.580 1 ATOM 1505 N NZ . LYS 196 1104 ? A -32.347 17.835 -30.160 1.000 1 A 32.580 1 ATOM 1506 N N . HIS 197 1105 ? A -28.932 17.533 -22.529 1.000 1 A 32.768 1 ATOM 1507 C CA . HIS 197 1105 ? A -29.344 18.159 -21.277 1.000 1 A 32.768 1 ATOM 1508 C C . HIS 197 1105 ? A -30.863 18.183 -21.147 1.000 1 A 32.768 1 ATOM 1509 O O . HIS 197 1105 ? A -31.566 18.553 -22.091 1.000 1 A 32.768 1 ATOM 1510 C CB . HIS 197 1105 ? A -28.786 19.580 -21.180 1.000 1 A 32.768 1 ATOM 1511 C CG . HIS 197 1105 ? A -27.301 19.632 -21.017 1.000 1 A 32.768 1 ATOM 1512 N ND1 . HIS 197 1105 ? A -26.656 19.133 -19.906 1.000 1 A 32.768 1 ATOM 1513 C CD2 . HIS 197 1105 ? A -26.334 20.121 -21.829 1.000 1 A 32.768 1 ATOM 1514 C CE1 . HIS 197 1105 ? A -25.353 19.315 -20.041 1.000 1 A 32.768 1 ATOM 1515 N NE2 . HIS 197 1105 ? A -25.131 19.913 -21.199 1.000 1 A 32.768 1 ATOM 1516 N N . PRO 198 1106 ? A -31.482 17.522 -20.187 1.000 1 A 39.037 1 ATOM 1517 C CA . PRO 198 1106 ? A -32.823 18.069 -19.969 1.000 1 A 39.037 1 ATOM 1518 C C . PRO 198 1106 ? A -32.841 19.200 -18.944 1.000 1 A 39.037 1 ATOM 1519 O O . PRO 198 1106 ? A -32.022 19.216 -18.022 1.000 1 A 39.037 1 ATOM 1520 C CB . PRO 198 1106 ? A -33.618 16.862 -19.464 1.000 1 A 39.037 1 ATOM 1521 C CG . PRO 198 1106 ? A -32.585 15.916 -18.941 1.000 1 A 39.037 1 ATOM 1522 C CD . PRO 198 1106 ? A -31.227 16.506 -19.195 1.000 1 A 39.037 1 ATOM 1523 N N . GLU 199 1107 ? A -32.954 20.495 -19.403 1.000 1 A 27.856 1 ATOM 1524 C CA . GLU 199 1107 ? A -33.613 21.675 -18.851 1.000 1 A 27.856 1 ATOM 1525 C C . GLU 199 1107 ? A -34.347 21.343 -17.555 1.000 1 A 27.856 1 ATOM 1526 O O . GLU 199 1107 ? A -35.117 20.382 -17.501 1.000 1 A 27.856 1 ATOM 1527 C CB . GLU 199 1107 ? A -34.587 22.273 -19.869 1.000 1 A 27.856 1 ATOM 1528 C CG . GLU 199 1107 ? A -34.569 23.794 -19.919 1.000 1 A 27.856 1 ATOM 1529 C CD . GLU 199 1107 ? A -35.369 24.366 -21.078 1.000 1 A 27.856 1 ATOM 1530 O OE1 . GLU 199 1107 ? A -35.353 25.602 -21.276 1.000 1 A 27.856 1 ATOM 1531 O OE2 . GLU 199 1107 ? A -36.019 23.571 -21.794 1.000 1 A 27.856 1 ATOM 1532 N N . ILE 200 1108 ? A -33.658 21.557 -16.373 1.000 1 A 33.038 1 ATOM 1533 C CA . ILE 200 1108 ? A -34.066 22.227 -15.143 1.000 1 A 33.038 1 ATOM 1534 C C . ILE 200 1108 ? A -32.831 22.664 -14.359 1.000 1 A 33.038 1 ATOM 1535 O O . ILE 200 1108 ? A -31.882 21.891 -14.201 1.000 1 A 33.038 1 ATOM 1536 C CB . ILE 200 1108 ? A -34.958 21.314 -14.273 1.000 1 A 33.038 1 ATOM 1537 C CG1 . ILE 200 1108 ? A -36.202 20.878 -15.056 1.000 1 A 33.038 1 ATOM 1538 C CG2 . ILE 200 1108 ? A -35.350 22.023 -12.973 1.000 1 A 33.038 1 ATOM 1539 C CD1 . ILE 200 1108 ? A -36.975 19.739 -14.406 1.000 1 A 33.038 1 ATOM 1540 N N . GLU 1 550 ? B -12.317 -1.716 26.087 1.000 2 B 75.117 1 ATOM 1541 C CA . GLU 1 550 ? B -12.856 -0.725 25.160 1.000 2 B 75.117 1 ATOM 1542 C C . GLU 1 550 ? B -12.249 -0.881 23.769 1.000 2 B 75.117 1 ATOM 1543 O O . GLU 1 550 ? B -11.160 -1.441 23.621 1.000 2 B 75.117 1 ATOM 1544 C CB . GLU 1 550 ? B -12.610 0.692 25.685 1.000 2 B 75.117 1 ATOM 1545 C CG . GLU 1 550 ? B -13.472 1.062 26.884 1.000 2 B 75.117 1 ATOM 1546 C CD . GLU 1 550 ? B -13.155 2.438 27.449 1.000 2 B 75.117 1 ATOM 1547 O OE1 . GLU 1 550 ? B -13.741 2.816 28.489 1.000 2 B 75.117 1 ATOM 1548 O OE2 . GLU 1 550 ? B -12.316 3.143 26.846 1.000 2 B 75.117 1 ATOM 1549 N N . GLY 2 551 ? B -12.908 -1.566 22.833 1.000 2 B 89.743 1 ATOM 1550 C CA . GLY 2 551 ? B -12.677 -1.793 21.415 1.000 2 B 89.743 1 ATOM 1551 C C . GLY 2 551 ? B -11.434 -1.097 20.894 1.000 2 B 89.743 1 ATOM 1552 O O . GLY 2 551 ? B -10.872 -0.231 21.569 1.000 2 B 89.743 1 ATOM 1553 N N . LEU 3 552 ? B -10.723 -1.599 19.915 1.000 2 B 95.245 1 ATOM 1554 C CA . LEU 3 552 ? B -9.507 -1.152 19.245 1.000 2 B 95.245 1 ATOM 1555 C C . LEU 3 552 ? B -9.550 0.350 18.987 1.000 2 B 95.245 1 ATOM 1556 O O . LEU 3 552 ? B -8.555 1.048 19.195 1.000 2 B 95.245 1 ATOM 1557 C CB . LEU 3 552 ? B -9.316 -1.904 17.924 1.000 2 B 95.245 1 ATOM 1558 C CG . LEU 3 552 ? B -8.092 -1.514 17.094 1.000 2 B 95.245 1 ATOM 1559 C CD1 . LEU 3 552 ? B -6.811 -1.810 17.866 1.000 2 B 95.245 1 ATOM 1560 C CD2 . LEU 3 552 ? B -8.098 -2.247 15.757 1.000 2 B 95.245 1 ATOM 1561 N N . PHE 4 553 ? B -10.710 0.920 18.681 1.000 2 B 97.088 1 ATOM 1562 C CA . PHE 4 553 ? B -10.824 2.315 18.269 1.000 2 B 97.088 1 ATOM 1563 C C . PHE 4 553 ? B -11.592 3.124 19.308 1.000 2 B 97.088 1 ATOM 1564 O O . PHE 4 553 ? B -12.248 4.112 18.971 1.000 2 B 97.088 1 ATOM 1565 C CB . PHE 4 553 ? B -11.514 2.420 16.906 1.000 2 B 97.088 1 ATOM 1566 C CG . PHE 4 553 ? B -10.758 1.751 15.790 1.000 2 B 97.088 1 ATOM 1567 C CD1 . PHE 4 553 ? B -9.388 1.939 15.649 1.000 2 B 97.088 1 ATOM 1568 C CD2 . PHE 4 553 ? B -11.418 0.935 14.880 1.000 2 B 97.088 1 ATOM 1569 C CE1 . PHE 4 553 ? B -8.686 1.322 14.617 1.000 2 B 97.088 1 ATOM 1570 C CE2 . PHE 4 553 ? B -10.722 0.315 13.846 1.000 2 B 97.088 1 ATOM 1571 C CZ . PHE 4 553 ? B -9.357 0.510 13.715 1.000 2 B 97.088 1 ATOM 1572 N N . SER 5 554 ? B -11.541 2.707 20.478 1.000 2 B 96.304 1 ATOM 1573 C CA . SER 5 554 ? B -12.238 3.423 21.543 1.000 2 B 96.304 1 ATOM 1574 C C . SER 5 554 ? B -11.746 4.862 21.655 1.000 2 B 96.304 1 ATOM 1575 O O . SER 5 554 ? B -10.540 5.116 21.621 1.000 2 B 96.304 1 ATOM 1576 C CB . SER 5 554 ? B -12.052 2.706 22.881 1.000 2 B 96.304 1 ATOM 1577 O OG . SER 5 554 ? B -12.790 3.352 23.904 1.000 2 B 96.304 1 ATOM 1578 N N . GLN 6 555 ? B -12.746 5.824 21.647 1.000 2 B 95.173 1 ATOM 1579 C CA . GLN 6 555 ? B -12.510 7.252 21.831 1.000 2 B 95.173 1 ATOM 1580 C C . GLN 6 555 ? B -11.897 7.874 20.579 1.000 2 B 95.173 1 ATOM 1581 O O . GLN 6 555 ? B -11.236 8.911 20.655 1.000 2 B 95.173 1 ATOM 1582 C CB . GLN 6 555 ? B -11.602 7.496 23.037 1.000 2 B 95.173 1 ATOM 1583 C CG . GLN 6 555 ? B -12.217 7.077 24.365 1.000 2 B 95.173 1 ATOM 1584 C CD . GLN 6 555 ? B -11.306 7.351 25.547 1.000 2 B 95.173 1 ATOM 1585 O OE1 . GLN 6 555 ? B -10.416 8.204 25.476 1.000 2 B 95.173 1 ATOM 1586 N NE2 . GLN 6 555 ? B -11.520 6.629 26.641 1.000 2 B 95.173 1 ATOM 1587 N N . LYS 7 556 ? B -11.894 7.122 19.580 1.000 2 B 96.710 1 ATOM 1588 C CA . LYS 7 556 ? B -11.425 7.661 18.307 1.000 2 B 96.710 1 ATOM 1589 C C . LYS 7 556 ? B -12.595 7.975 17.379 1.000 2 B 96.710 1 ATOM 1590 O O . LYS 7 556 ? B -13.570 7.222 17.324 1.000 2 B 96.710 1 ATOM 1591 C CB . LYS 7 556 ? B -10.467 6.681 17.629 1.000 2 B 96.710 1 ATOM 1592 C CG . LYS 7 556 ? B -9.278 6.282 18.491 1.000 2 B 96.710 1 ATOM 1593 C CD . LYS 7 556 ? B -8.361 7.468 18.762 1.000 2 B 96.710 1 ATOM 1594 C CE . LYS 7 556 ? B -7.139 7.057 19.572 1.000 2 B 96.710 1 ATOM 1595 N NZ . LYS 7 556 ? B -6.294 8.234 19.937 1.000 2 B 96.710 1 ATOM 1596 N N . SER 8 557 ? B -12.469 9.086 16.676 1.000 2 B 96.802 1 ATOM 1597 C CA . SER 8 557 ? B -13.496 9.505 15.729 1.000 2 B 96.802 1 ATOM 1598 C C . SER 8 557 ? B -12.984 9.441 14.294 1.000 2 B 96.802 1 ATOM 1599 O O . SER 8 557 ? B -11.821 9.751 14.030 1.000 2 B 96.802 1 ATOM 1600 C CB . SER 8 557 ? B -13.972 10.924 16.047 1.000 2 B 96.802 1 ATOM 1601 O OG . SER 8 557 ? B -12.890 11.839 16.001 1.000 2 B 96.802 1 ATOM 1602 N N . PHE 9 558 ? B -13.913 9.032 13.336 1.000 2 B 97.253 1 ATOM 1603 C CA . PHE 9 558 ? B -13.497 8.760 11.965 1.000 2 B 97.253 1 ATOM 1604 C C . PHE 9 558 ? B -14.405 9.476 10.972 1.000 2 B 97.253 1 ATOM 1605 O O . PHE 9 558 ? B -15.589 9.685 11.244 1.000 2 B 97.253 1 ATOM 1606 C CB . PHE 9 558 ? B -13.502 7.253 11.690 1.000 2 B 97.253 1 ATOM 1607 C CG . PHE 9 558 ? B -12.474 6.489 12.479 1.000 2 B 97.253 1 ATOM 1608 C CD1 . PHE 9 558 ? B -11.262 6.128 11.903 1.000 2 B 97.253 1 ATOM 1609 C CD2 . PHE 9 558 ? B -12.719 6.130 13.798 1.000 2 B 97.253 1 ATOM 1610 C CE1 . PHE 9 558 ? B -10.308 5.420 12.631 1.000 2 B 97.253 1 ATOM 1611 C CE2 . PHE 9 558 ? B -11.772 5.423 14.532 1.000 2 B 97.253 1 ATOM 1612 C CZ . PHE 9 558 ? B -10.567 5.068 13.946 1.000 2 B 97.253 1 ATOM 1613 N N . LEU 10 559 ? B -13.809 9.851 9.885 1.000 2 B 95.941 1 ATOM 1614 C CA . LEU 10 559 ? B -14.475 10.214 8.639 1.000 2 B 95.941 1 ATOM 1615 C C . LEU 10 559 ? B -14.125 9.228 7.528 1.000 2 B 95.941 1 ATOM 1616 O O . LEU 10 559 ? B -12.954 8.899 7.332 1.000 2 B 95.941 1 ATOM 1617 C CB . LEU 10 559 ? B -14.089 11.634 8.217 1.000 2 B 95.941 1 ATOM 1618 C CG . LEU 10 559 ? B -14.849 12.218 7.025 1.000 2 B 95.941 1 ATOM 1619 C CD1 . LEU 10 559 ? B -16.299 12.499 7.408 1.000 2 B 95.941 1 ATOM 1620 C CD2 . LEU 10 559 ? B -14.167 13.487 6.526 1.000 2 B 95.941 1 ATOM 1621 N N . VAL 11 560 ? B -15.120 8.780 6.806 1.000 2 B 95.746 1 ATOM 1622 C CA . VAL 11 560 ? B -14.892 7.883 5.678 1.000 2 B 95.746 1 ATOM 1623 C C . VAL 11 560 ? B -15.232 8.596 4.372 1.000 2 B 95.746 1 ATOM 1624 O O . VAL 11 560 ? B -16.376 9.006 4.160 1.000 2 B 95.746 1 ATOM 1625 C CB . VAL 11 560 ? B -15.721 6.585 5.808 1.000 2 B 95.746 1 ATOM 1626 C CG1 . VAL 11 560 ? B -15.386 5.614 4.678 1.000 2 B 95.746 1 ATOM 1627 C CG2 . VAL 11 560 ? B -15.480 5.932 7.168 1.000 2 B 95.746 1 ATOM 1628 N N . LEU 12 561 ? B -14.175 8.670 3.521 1.000 2 B 94.823 1 ATOM 1629 C CA . LEU 12 561 ? B -14.324 9.465 2.307 1.000 2 B 94.823 1 ATOM 1630 C C . LEU 12 561 ? B -13.767 8.721 1.099 1.000 2 B 94.823 1 ATOM 1631 O O . LEU 12 561 ? B -12.873 7.882 1.238 1.000 2 B 94.823 1 ATOM 1632 C CB . LEU 12 561 ? B -13.618 10.815 2.460 1.000 2 B 94.823 1 ATOM 1633 C CG . LEU 12 561 ? B -14.014 11.652 3.677 1.000 2 B 94.823 1 ATOM 1634 C CD1 . LEU 12 561 ? B -12.990 12.758 3.915 1.000 2 B 94.823 1 ATOM 1635 C CD2 . LEU 12 561 ? B -15.409 12.239 3.493 1.000 2 B 94.823 1 ATOM 1636 N N . GLY 13 562 ? B -14.332 9.009 -0.117 1.000 2 B 93.484 1 ATOM 1637 C CA . GLY 13 562 ? B -13.739 8.587 -1.376 1.000 2 B 93.484 1 ATOM 1638 C C . GLY 13 562 ? B -14.142 7.182 -1.785 1.000 2 B 93.484 1 ATOM 1639 O O . GLY 13 562 ? B -13.596 6.627 -2.740 1.000 2 B 93.484 1 ATOM 1640 N N . PHE 14 563 ? B -15.037 6.565 -1.019 1.000 2 B 93.804 1 ATOM 1641 C CA . PHE 14 563 ? B -15.514 5.221 -1.324 1.000 2 B 93.804 1 ATOM 1642 C C . PHE 14 563 ? B -16.934 5.263 -1.876 1.000 2 B 93.804 1 ATOM 1643 O O . PHE 14 563 ? B -17.632 6.269 -1.733 1.000 2 B 93.804 1 ATOM 1644 C CB . PHE 14 563 ? B -15.461 4.333 -0.077 1.000 2 B 93.804 1 ATOM 1645 C CG . PHE 14 563 ? B -14.080 4.176 0.498 1.000 2 B 93.804 1 ATOM 1646 C CD1 . PHE 14 563 ? B -13.220 3.195 0.019 1.000 2 B 93.804 1 ATOM 1647 C CD2 . PHE 14 563 ? B -13.640 5.009 1.519 1.000 2 B 93.804 1 ATOM 1648 C CE1 . PHE 14 563 ? B -11.940 3.047 0.549 1.000 2 B 93.804 1 ATOM 1649 C CE2 . PHE 14 563 ? B -12.363 4.867 2.054 1.000 2 B 93.804 1 ATOM 1650 C CZ . PHE 14 563 ? B -11.515 3.885 1.568 1.000 2 B 93.804 1 ATOM 1651 N N . SER 15 564 ? B -17.302 4.237 -2.565 1.000 2 B 92.258 1 ATOM 1652 C CA . SER 15 564 ? B -18.701 4.112 -2.960 1.000 2 B 92.258 1 ATOM 1653 C C . SER 15 564 ? B -19.620 4.097 -1.744 1.000 2 B 92.258 1 ATOM 1654 O O . SER 15 564 ? B -19.168 3.871 -0.620 1.000 2 B 92.258 1 ATOM 1655 C CB . SER 15 564 ? B -18.913 2.841 -3.785 1.000 2 B 92.258 1 ATOM 1656 O OG . SER 15 564 ? B -18.691 1.686 -2.995 1.000 2 B 92.258 1 ATOM 1657 N N . ASN 16 565 ? B -20.892 4.414 -1.920 1.000 2 B 91.421 1 ATOM 1658 C CA . ASN 16 565 ? B -21.843 4.455 -0.814 1.000 2 B 91.421 1 ATOM 1659 C C . ASN 16 565 ? B -21.879 3.131 -0.057 1.000 2 B 91.421 1 ATOM 1660 O O . ASN 16 565 ? B -21.922 3.116 1.174 1.000 2 B 91.421 1 ATOM 1661 C CB . ASN 16 565 ? B -23.241 4.815 -1.321 1.000 2 B 91.421 1 ATOM 1662 C CG . ASN 16 565 ? B -23.337 6.250 -1.800 1.000 2 B 91.421 1 ATOM 1663 O OD1 . ASN 16 565 ? B -22.536 7.103 -1.409 1.000 2 B 91.421 1 ATOM 1664 N ND2 . ASN 16 565 ? B -24.318 6.527 -2.651 1.000 2 B 91.421 1 ATOM 1665 N N . GLU 17 566 ? B -21.793 2.046 -0.819 1.000 2 B 91.388 1 ATOM 1666 C CA . GLU 17 566 ? B -21.802 0.719 -0.210 1.000 2 B 91.388 1 ATOM 1667 C C . GLU 17 566 ? B -20.546 0.488 0.626 1.000 2 B 91.388 1 ATOM 1668 O O . GLU 17 566 ? B -20.629 0.028 1.766 1.000 2 B 91.388 1 ATOM 1669 C CB . GLU 17 566 ? B -21.927 -0.365 -1.283 1.000 2 B 91.388 1 ATOM 1670 C CG . GLU 17 566 ? B -21.963 -1.781 -0.726 1.000 2 B 91.388 1 ATOM 1671 C CD . GLU 17 566 ? B -21.976 -2.851 -1.806 1.000 2 B 91.388 1 ATOM 1672 O OE1 . GLU 17 566 ? B -21.950 -4.056 -1.467 1.000 2 B 91.388 1 ATOM 1673 O OE2 . GLU 17 566 ? B -22.013 -2.481 -3.001 1.000 2 B 91.388 1 ATOM 1674 N N . ASN 18 567 ? B -19.427 0.789 0.106 1.000 2 B 91.541 1 ATOM 1675 C CA . ASN 18 567 ? B -18.162 0.590 0.804 1.000 2 B 91.541 1 ATOM 1676 C C . ASN 18 567 ? B -18.024 1.534 1.995 1.000 2 B 91.541 1 ATOM 1677 O O . ASN 18 567 ? B -17.496 1.149 3.040 1.000 2 B 91.541 1 ATOM 1678 C CB . ASN 18 567 ? B -16.984 0.772 -0.156 1.000 2 B 91.541 1 ATOM 1679 C CG . ASN 18 567 ? B -16.841 -0.382 -1.129 1.000 2 B 91.541 1 ATOM 1680 O OD1 . ASN 18 567 ? B -17.364 -1.475 -0.896 1.000 2 B 91.541 1 ATOM 1681 N ND2 . ASN 18 567 ? B -16.132 -0.147 -2.227 1.000 2 B 91.541 1 ATOM 1682 N N . GLU 19 568 ? B -18.486 2.740 1.786 1.000 2 B 93.133 1 ATOM 1683 C CA . GLU 19 568 ? B -18.459 3.701 2.884 1.000 2 B 93.133 1 ATOM 1684 C C . GLU 19 568 ? B -19.263 3.197 4.079 1.000 2 B 93.133 1 ATOM 1685 O O . GLU 19 568 ? B -18.816 3.302 5.223 1.000 2 B 93.133 1 ATOM 1686 C CB . GLU 19 568 ? B -18.998 5.059 2.424 1.000 2 B 93.133 1 ATOM 1687 C CG . GLU 19 568 ? B -18.880 6.155 3.472 1.000 2 B 93.133 1 ATOM 1688 C CD . GLU 19 568 ? B -19.345 7.514 2.975 1.000 2 B 93.133 1 ATOM 1689 O OE1 . GLU 19 568 ? B -19.733 8.365 3.807 1.000 2 B 93.133 1 ATOM 1690 O OE2 . GLU 19 568 ? B -19.322 7.729 1.742 1.000 2 B 93.133 1 ATOM 1691 N N . SER 20 569 ? B -20.445 2.712 3.857 1.000 2 B 93.508 1 ATOM 1692 C CA . SER 20 569 ? B -21.294 2.158 4.907 1.000 2 B 93.508 1 ATOM 1693 C C . SER 20 569 ? B -20.646 0.939 5.556 1.000 2 B 93.508 1 ATOM 1694 O O . SER 20 569 ? B -20.685 0.786 6.778 1.000 2 B 93.508 1 ATOM 1695 C CB . SER 20 569 ? B -22.664 1.777 4.344 1.000 2 B 93.508 1 ATOM 1696 O OG . SER 20 569 ? B -23.371 2.930 3.918 1.000 2 B 93.508 1 ATOM 1697 N N . ASN 21 570 ? B -20.029 0.084 4.723 1.000 2 B 93.844 1 ATOM 1698 C CA . ASN 21 570 ? B -19.351 -1.097 5.248 1.000 2 B 93.844 1 ATOM 1699 C C . ASN 21 570 ? B -18.182 -0.715 6.151 1.000 2 B 93.844 1 ATOM 1700 O O . ASN 21 570 ? B -18.014 -1.286 7.231 1.000 2 B 93.844 1 ATOM 1701 C CB . ASN 21 570 ? B -18.868 -1.992 4.104 1.000 2 B 93.844 1 ATOM 1702 C CG . ASN 21 570 ? B -20.009 -2.681 3.381 1.000 2 B 93.844 1 ATOM 1703 O OD1 . ASN 21 570 ? B -21.084 -2.889 3.948 1.000 2 B 93.844 1 ATOM 1704 N ND2 . ASN 21 570 ? B -19.783 -3.038 2.122 1.000 2 B 93.844 1 ATOM 1705 N N . ILE 22 571 ? B -17.457 0.189 5.707 1.000 2 B 95.385 1 ATOM 1706 C CA . ILE 22 571 ? B -16.308 0.653 6.477 1.000 2 B 95.385 1 ATOM 1707 C C . ILE 22 571 ? B -16.785 1.313 7.768 1.000 2 B 95.385 1 ATOM 1708 O O . ILE 22 571 ? B -16.227 1.068 8.841 1.000 2 B 95.385 1 ATOM 1709 C CB . ILE 22 571 ? B -15.441 1.638 5.660 1.000 2 B 95.385 1 ATOM 1710 C CG1 . ILE 22 571 ? B -14.780 0.916 4.480 1.000 2 B 95.385 1 ATOM 1711 C CG2 . ILE 22 571 ? B -14.390 2.302 6.554 1.000 2 B 95.385 1 ATOM 1712 C CD1 . ILE 22 571 ? B -14.087 1.846 3.494 1.000 2 B 95.385 1 ATOM 1713 N N . ALA 23 572 ? B -17.793 2.171 7.688 1.000 2 B 95.692 1 ATOM 1714 C CA . ALA 23 572 ? B -18.360 2.820 8.867 1.000 2 B 95.692 1 ATOM 1715 C C . ALA 23 572 ? B -18.815 1.789 9.896 1.000 2 B 95.692 1 ATOM 1716 O O . ALA 23 572 ? B -18.579 1.954 11.095 1.000 2 B 95.692 1 ATOM 1717 C CB . ALA 23 572 ? B -19.527 3.720 8.468 1.000 2 B 95.692 1 ATOM 1718 N N . ASN 24 573 ? B -19.479 0.728 9.399 1.000 2 B 95.549 1 ATOM 1719 C CA . ASN 24 573 ? B -19.950 -0.331 10.285 1.000 2 B 95.549 1 ATOM 1720 C C . ASN 24 573 ? B -18.789 -1.039 10.979 1.000 2 B 95.549 1 ATOM 1721 O O . ASN 24 573 ? B -18.863 -1.338 12.172 1.000 2 B 95.549 1 ATOM 1722 C CB . ASN 24 573 ? B -20.801 -1.340 9.511 1.000 2 B 95.549 1 ATOM 1723 C CG . ASN 24 573 ? B -22.155 -0.784 9.119 1.000 2 B 95.549 1 ATOM 1724 O OD1 . ASN 24 573 ? B -22.665 0.145 9.752 1.000 2 B 95.549 1 ATOM 1725 N ND2 . ASN 24 573 ? B -22.747 -1.346 8.072 1.000 2 B 95.549 1 ATOM 1726 N N . ILE 25 574 ? B -17.735 -1.216 10.275 1.000 2 B 94.743 1 ATOM 1727 C CA . ILE 25 574 ? B -16.565 -1.896 10.820 1.000 2 B 94.743 1 ATOM 1728 C C . ILE 25 574 ? B -15.921 -1.030 11.899 1.000 2 B 94.743 1 ATOM 1729 O O . ILE 25 574 ? B -15.506 -1.536 12.945 1.000 2 B 94.743 1 ATOM 1730 C CB . ILE 25 574 ? B -15.538 -2.227 9.714 1.000 2 B 94.743 1 ATOM 1731 C CG1 . ILE 25 574 ? B -16.094 -3.301 8.772 1.000 2 B 94.743 1 ATOM 1732 C CG2 . ILE 25 574 ? B -14.208 -2.673 10.329 1.000 2 B 94.743 1 ATOM 1733 C CD1 . ILE 25 574 ? B -15.274 -3.498 7.504 1.000 2 B 94.743 1 ATOM 1734 N N . ILE 26 575 ? B -15.823 0.147 11.662 1.000 2 B 96.629 1 ATOM 1735 C CA . ILE 26 575 ? B -15.256 1.087 12.623 1.000 2 B 96.629 1 ATOM 1736 C C . ILE 26 575 ? B -16.104 1.101 13.893 1.000 2 B 96.629 1 ATOM 1737 O O . ILE 26 575 ? B -15.569 1.063 15.004 1.000 2 B 96.629 1 ATOM 1738 C CB . ILE 26 575 ? B -15.155 2.510 12.029 1.000 2 B 96.629 1 ATOM 1739 C CG1 . ILE 26 575 ? B -14.079 2.559 10.938 1.000 2 B 96.629 1 ATOM 1740 C CG2 . ILE 26 575 ? B -14.866 3.535 13.130 1.000 2 B 96.629 1 ATOM 1741 C CD1 . ILE 26 575 ? B -14.091 3.839 10.114 1.000 2 B 96.629 1 ATOM 1742 N N . LYS 27 576 ? B -17.431 1.123 13.737 1.000 2 B 96.387 1 ATOM 1743 C CA . LYS 27 576 ? B -18.342 1.116 14.878 1.000 2 B 96.387 1 ATOM 1744 C C . LYS 27 576 ? B -18.219 -0.182 15.671 1.000 2 B 96.387 1 ATOM 1745 O O . LYS 27 576 ? B -18.238 -0.167 16.904 1.000 2 B 96.387 1 ATOM 1746 C CB . LYS 27 576 ? B -19.786 1.311 14.413 1.000 2 B 96.387 1 ATOM 1747 C CG . LYS 27 576 ? B -20.098 2.724 13.943 1.000 2 B 96.387 1 ATOM 1748 C CD . LYS 27 576 ? B -21.553 2.861 13.513 1.000 2 B 96.387 1 ATOM 1749 C CE . LYS 27 576 ? B -21.820 4.211 12.860 1.000 2 B 96.387 1 ATOM 1750 N NZ . LYS 27 576 ? B -23.210 4.301 12.322 1.000 2 B 96.387 1 ATOM 1751 N N . GLU 28 577 ? B -18.040 -1.275 14.957 1.000 2 B 95.204 1 ATOM 1752 C CA . GLU 28 577 ? B -17.894 -2.583 15.588 1.000 2 B 95.204 1 ATOM 1753 C C . GLU 28 577 ? B -16.629 -2.647 16.439 1.000 2 B 95.204 1 ATOM 1754 O O . GLU 28 577 ? B -16.554 -3.425 17.392 1.000 2 B 95.204 1 ATOM 1755 C CB . GLU 28 577 ? B -17.875 -3.691 14.532 1.000 2 B 95.204 1 ATOM 1756 C CG . GLU 28 577 ? B -19.229 -3.950 13.888 1.000 2 B 95.204 1 ATOM 1757 C CD . GLU 28 577 ? B -19.180 -4.998 12.788 1.000 2 B 95.204 1 ATOM 1758 O OE1 . GLU 28 577 ? B -20.233 -5.287 12.177 1.000 2 B 95.204 1 ATOM 1759 O OE2 . GLU 28 577 ? B -18.078 -5.535 12.535 1.000 2 B 95.204 1 ATOM 1760 N N . ASN 29 578 ? B -15.702 -1.860 16.099 1.000 2 B 95.952 1 ATOM 1761 C CA . ASN 29 578 ? B -14.449 -1.838 16.846 1.000 2 B 95.952 1 ATOM 1762 C C . ASN 29 578 ? B -14.371 -0.631 17.776 1.000 2 B 95.952 1 ATOM 1763 O O . ASN 29 578 ? B -13.285 -0.111 18.036 1.000 2 B 95.952 1 ATOM 1764 C CB . ASN 29 578 ? B -13.254 -1.850 15.890 1.000 2 B 95.952 1 ATOM 1765 C CG . ASN 29 578 ? B -13.048 -3.199 15.229 1.000 2 B 95.952 1 ATOM 1766 O OD1 . ASN 29 578 ? B -12.423 -4.095 15.801 1.000 2 B 95.952 1 ATOM 1767 N ND2 . ASN 29 578 ? B -13.574 -3.353 14.019 1.000 2 B 95.952 1 ATOM 1768 N N . ALA 30 579 ? B -15.619 -0.133 18.153 1.000 2 B 96.643 1 ATOM 1769 C CA . ALA 30 579 ? B -15.824 0.877 19.188 1.000 2 B 96.643 1 ATOM 1770 C C . ALA 30 579 ? B -15.379 2.255 18.705 1.000 2 B 96.643 1 ATOM 1771 O O . ALA 30 579 ? B -14.981 3.102 19.508 1.000 2 B 96.643 1 ATOM 1772 C CB . ALA 30 579 ? B -15.073 0.494 20.461 1.000 2 B 96.643 1 ATOM 1773 N N . GLY 31 580 ? B -15.276 2.464 17.312 1.000 2 B 97.061 1 ATOM 1774 C CA . GLY 31 580 ? B -15.000 3.776 16.750 1.000 2 B 97.061 1 ATOM 1775 C C . GLY 31 580 ? B -16.249 4.612 16.544 1.000 2 B 97.061 1 ATOM 1776 O O . GLY 31 580 ? B -17.359 4.078 16.499 1.000 2 B 97.061 1 ATOM 1777 N N . LYS 32 581 ? B -16.067 5.921 16.483 1.000 2 B 96.617 1 ATOM 1778 C CA . LYS 32 581 ? B -17.157 6.862 16.243 1.000 2 B 96.617 1 ATOM 1779 C C . LYS 32 581 ? B -17.055 7.478 14.851 1.000 2 B 96.617 1 ATOM 1780 O O . LYS 32 581 ? B -16.000 7.990 14.469 1.000 2 B 96.617 1 ATOM 1781 C CB . LYS 32 581 ? B -17.161 7.962 17.304 1.000 2 B 96.617 1 ATOM 1782 C CG . LYS 32 581 ? B -18.326 8.935 17.184 1.000 2 B 96.617 1 ATOM 1783 C CD . LYS 32 581 ? B -18.287 9.992 18.280 1.000 2 B 96.617 1 ATOM 1784 C CE . LYS 32 581 ? B -19.422 10.996 18.129 1.000 2 B 96.617 1 ATOM 1785 N NZ . LYS 32 581 ? B -19.400 12.023 19.214 1.000 2 B 96.617 1 ATOM 1786 N N . ILE 33 582 ? B -18.195 7.319 14.073 1.000 2 B 95.970 1 ATOM 1787 C CA . ILE 33 582 ? B -18.237 7.909 12.739 1.000 2 B 95.970 1 ATOM 1788 C C . ILE 33 582 ? B -18.759 9.341 12.824 1.000 2 B 95.970 1 ATOM 1789 O O . ILE 33 582 ? B -19.801 9.593 13.434 1.000 2 B 95.970 1 ATOM 1790 C CB . ILE 33 582 ? B -19.115 7.075 11.779 1.000 2 B 95.970 1 ATOM 1791 C CG1 . ILE 33 582 ? B -18.577 5.643 11.672 1.000 2 B 95.970 1 ATOM 1792 C CG2 . ILE 33 582 ? B -19.187 7.737 10.400 1.000 2 B 95.970 1 ATOM 1793 C CD1 . ILE 33 582 ? B -17.192 5.547 11.048 1.000 2 B 95.970 1 ATOM 1794 N N . MET 34 583 ? B -17.988 10.232 12.166 1.000 2 B 93.969 1 ATOM 1795 C CA . MET 34 583 ? B -18.384 11.637 12.158 1.000 2 B 93.969 1 ATOM 1796 C C . MET 34 583 ? B -19.020 12.016 10.825 1.000 2 B 93.969 1 ATOM 1797 O O . MET 34 583 ? B -18.723 11.408 9.796 1.000 2 B 93.969 1 ATOM 1798 C CB . MET 34 583 ? B -17.179 12.538 12.437 1.000 2 B 93.969 1 ATOM 1799 C CG . MET 34 583 ? B -16.527 12.289 13.788 1.000 2 B 93.969 1 ATOM 1800 S SD . MET 34 583 ? B -17.559 12.882 15.185 1.000 2 B 93.969 1 ATOM 1801 C CE . MET 34 583 ? B -17.482 14.673 14.902 1.000 2 B 93.969 1 ATOM 1802 N N . SER 35 584 ? B -19.927 12.931 10.978 1.000 2 B 88.948 1 ATOM 1803 C CA . SER 35 584 ? B -20.560 13.477 9.782 1.000 2 B 88.948 1 ATOM 1804 C C . SER 35 584 ? B -19.748 14.632 9.206 1.000 2 B 88.948 1 ATOM 1805 O O . SER 35 584 ? B -19.036 15.323 9.937 1.000 2 B 88.948 1 ATOM 1806 C CB . SER 35 584 ? B -21.981 13.948 10.095 1.000 2 B 88.948 1 ATOM 1807 O OG . SER 35 584 ? B -22.573 14.551 8.957 1.000 2 B 88.948 1 ATOM 1808 N N . LEU 36 585 ? B -19.707 14.841 7.901 1.000 2 B 83.535 1 ATOM 1809 C CA . LEU 36 585 ? B -18.960 15.893 7.221 1.000 2 B 83.535 1 ATOM 1810 C C . LEU 36 585 ? B -19.404 17.271 7.699 1.000 2 B 83.535 1 ATOM 1811 O O . LEU 36 585 ? B -18.610 18.214 7.710 1.000 2 B 83.535 1 ATOM 1812 C CB . LEU 36 585 ? B -19.140 15.783 5.705 1.000 2 B 83.535 1 ATOM 1813 C CG . LEU 36 585 ? B -18.086 16.482 4.844 1.000 2 B 83.535 1 ATOM 1814 C CD1 . LEU 36 585 ? B -16.735 15.792 4.998 1.000 2 B 83.535 1 ATOM 1815 C CD2 . LEU 36 585 ? B -18.518 16.505 3.382 1.000 2 B 83.535 1 ATOM 1816 N N . LEU 37 586 ? B -20.561 17.438 8.204 1.000 2 B 81.068 1 ATOM 1817 C CA . LEU 37 586 ? B -21.146 18.716 8.595 1.000 2 B 81.068 1 ATOM 1818 C C . LEU 37 586 ? B -20.843 19.027 10.057 1.000 2 B 81.068 1 ATOM 1819 O O . LEU 37 586 ? B -21.123 20.130 10.532 1.000 2 B 81.068 1 ATOM 1820 C CB . LEU 37 586 ? B -22.660 18.705 8.366 1.000 2 B 81.068 1 ATOM 1821 C CG . LEU 37 586 ? B -23.126 18.557 6.917 1.000 2 B 81.068 1 ATOM 1822 C CD1 . LEU 37 586 ? B -24.635 18.342 6.865 1.000 2 B 81.068 1 ATOM 1823 C CD2 . LEU 37 586 ? B -22.726 19.780 6.099 1.000 2 B 81.068 1 ATOM 1824 N N . SER 38 587 ? B -20.282 18.114 10.686 1.000 2 B 81.632 1 ATOM 1825 C CA . SER 38 587 ? B -19.971 18.336 12.095 1.000 2 B 81.632 1 ATOM 1826 C C . SER 38 587 ? B -18.797 19.295 12.257 1.000 2 B 81.632 1 ATOM 1827 O O . SER 38 587 ? B -17.898 19.331 11.414 1.000 2 B 81.632 1 ATOM 1828 C CB . SER 38 587 ? B -19.659 17.011 12.791 1.000 2 B 81.632 1 ATOM 1829 O OG . SER 38 587 ? B -19.261 17.229 14.134 1.000 2 B 81.632 1 ATOM 1830 N N . ARG 39 588 ? B -18.903 20.247 13.197 1.000 2 B 83.107 1 ATOM 1831 C CA . ARG 39 588 ? B -17.851 21.219 13.478 1.000 2 B 83.107 1 ATOM 1832 C C . ARG 39 588 ? B -16.693 20.570 14.230 1.000 2 B 83.107 1 ATOM 1833 O O . ARG 39 588 ? B -15.616 21.157 14.347 1.000 2 B 83.107 1 ATOM 1834 C CB . ARG 39 588 ? B -18.406 22.395 14.284 1.000 2 B 83.107 1 ATOM 1835 C CG . ARG 39 588 ? B -19.438 23.222 13.534 1.000 2 B 83.107 1 ATOM 1836 C CD . ARG 39 588 ? B -19.834 24.469 14.312 1.000 2 B 83.107 1 ATOM 1837 N NE . ARG 39 588 ? B -20.872 25.229 13.620 1.000 2 B 83.107 1 ATOM 1838 C CZ . ARG 39 588 ? B -20.774 26.512 13.283 1.000 2 B 83.107 1 ATOM 1839 N NH1 . ARG 39 588 ? B -19.679 27.207 13.569 1.000 2 B 83.107 1 ATOM 1840 N NH2 . ARG 39 588 ? B -21.779 27.106 12.655 1.000 2 B 83.107 1 ATOM 1841 N N . THR 40 589 ? B -16.879 19.357 14.608 1.000 2 B 87.471 1 ATOM 1842 C CA . THR 40 589 ? B -15.827 18.674 15.354 1.000 2 B 87.471 1 ATOM 1843 C C . THR 40 589 ? B -14.825 18.025 14.405 1.000 2 B 87.471 1 ATOM 1844 O O . THR 40 589 ? B -15.207 17.485 13.364 1.000 2 B 87.471 1 ATOM 1845 C CB . THR 40 589 ? B -16.414 17.605 16.295 1.000 2 B 87.471 1 ATOM 1846 O OG1 . THR 40 589 ? B -17.442 18.197 17.099 1.000 2 B 87.471 1 ATOM 1847 C CG2 . THR 40 589 ? B -15.339 17.027 17.209 1.000 2 B 87.471 1 ATOM 1848 N N . VAL 41 590 ? B -13.574 18.158 14.765 1.000 2 B 92.202 1 ATOM 1849 C CA . VAL 41 590 ? B -12.482 17.607 13.970 1.000 2 B 92.202 1 ATOM 1850 C C . VAL 41 590 ? B -12.305 16.125 14.292 1.000 2 B 92.202 1 ATOM 1851 O O . VAL 41 590 ? B -12.120 15.753 15.453 1.000 2 B 92.202 1 ATOM 1852 C CB . VAL 41 590 ? B -11.159 18.368 14.216 1.000 2 B 92.202 1 ATOM 1853 C CG1 . VAL 41 590 ? B -10.022 17.750 13.405 1.000 2 B 92.202 1 ATOM 1854 C CG2 . VAL 41 590 ? B -11.323 19.847 13.873 1.000 2 B 92.202 1 ATOM 1855 N N . ALA 42 591 ? B -12.555 15.323 13.285 1.000 2 B 95.263 1 ATOM 1856 C CA . ALA 42 591 ? B -12.340 13.888 13.448 1.000 2 B 95.263 1 ATOM 1857 C C . ALA 42 591 ? B -10.858 13.572 13.632 1.000 2 B 95.263 1 ATOM 1858 O O . ALA 42 591 ? B -9.996 14.318 13.163 1.000 2 B 95.263 1 ATOM 1859 C CB . ALA 42 591 ? B -12.898 13.126 12.249 1.000 2 B 95.263 1 ATOM 1860 N N . ASP 43 592 ? B -10.577 12.464 14.359 1.000 2 B 96.769 1 ATOM 1861 C CA . ASP 43 592 ? B -9.196 12.045 14.578 1.000 2 B 96.769 1 ATOM 1862 C C . ASP 43 592 ? B -8.580 11.491 13.295 1.000 2 B 96.769 1 ATOM 1863 O O . ASP 43 592 ? B -7.431 11.797 12.970 1.000 2 B 96.769 1 ATOM 1864 C CB . ASP 43 592 ? B -9.123 10.998 15.691 1.000 2 B 96.769 1 ATOM 1865 C CG . ASP 43 592 ? B -9.573 11.533 17.039 1.000 2 B 96.769 1 ATOM 1866 O OD1 . ASP 43 592 ? B -9.002 12.536 17.519 1.000 2 B 96.769 1 ATOM 1867 O OD2 . ASP 43 592 ? B -10.506 10.945 17.628 1.000 2 B 96.769 1 ATOM 1868 N N . TYR 44 593 ? B -9.365 10.692 12.549 1.000 2 B 97.407 1 ATOM 1869 C CA . TYR 44 593 ? B -8.863 10.061 11.334 1.000 2 B 97.407 1 ATOM 1870 C C . TYR 44 593 ? B -9.839 10.248 10.179 1.000 2 B 97.407 1 ATOM 1871 O O . TYR 44 593 ? B -11.056 10.205 10.373 1.000 2 B 97.407 1 ATOM 1872 C CB . TYR 44 593 ? B -8.610 8.568 11.568 1.000 2 B 97.407 1 ATOM 1873 C CG . TYR 44 593 ? B -7.581 8.287 12.635 1.000 2 B 97.407 1 ATOM 1874 C CD1 . TYR 44 593 ? B -6.219 8.382 12.359 1.000 2 B 97.407 1 ATOM 1875 C CD2 . TYR 44 593 ? B -7.967 7.926 13.921 1.000 2 B 97.407 1 ATOM 1876 C CE1 . TYR 44 593 ? B -5.266 8.121 13.339 1.000 2 B 97.407 1 ATOM 1877 C CE2 . TYR 44 593 ? B -7.024 7.663 14.909 1.000 2 B 97.407 1 ATOM 1878 C CZ . TYR 44 593 ? B -5.678 7.764 14.609 1.000 2 B 97.407 1 ATOM 1879 O OH . TYR 44 593 ? B -4.739 7.505 15.583 1.000 2 B 97.407 1 ATOM 1880 N N . ALA 45 594 ? B -9.347 10.504 9.063 1.000 2 B 97.148 1 ATOM 1881 C CA . ALA 45 594 ? B -10.067 10.360 7.801 1.000 2 B 97.148 1 ATOM 1882 C C . ALA 45 594 ? B -9.581 9.136 7.029 1.000 2 B 97.148 1 ATOM 1883 O O . ALA 45 594 ? B -8.412 9.061 6.645 1.000 2 B 97.148 1 ATOM 1884 C CB . ALA 45 594 ? B -9.908 11.619 6.951 1.000 2 B 97.148 1 ATOM 1885 N N . VAL 46 595 ? B -10.501 8.167 6.801 1.000 2 B 97.575 1 ATOM 1886 C CA . VAL 46 595 ? B -10.143 6.962 6.060 1.000 2 B 97.575 1 ATOM 1887 C C . VAL 46 595 ? B -10.445 7.159 4.576 1.000 2 B 97.575 1 ATOM 1888 O O . VAL 46 595 ? B -11.589 7.422 4.198 1.000 2 B 97.575 1 ATOM 1889 C CB . VAL 46 595 ? B -10.893 5.722 6.596 1.000 2 B 97.575 1 ATOM 1890 C CG1 . VAL 46 595 ? B -10.482 4.468 5.827 1.000 2 B 97.575 1 ATOM 1891 C CG2 . VAL 46 595 ? B -10.632 5.546 8.091 1.000 2 B 97.575 1 ATOM 1892 N N . VAL 47 596 ? B -9.422 7.019 3.758 1.000 2 B 97.058 1 ATOM 1893 C CA . VAL 47 596 ? B -9.556 7.232 2.320 1.000 2 B 97.058 1 ATOM 1894 C C . VAL 47 596 ? B -8.964 6.045 1.564 1.000 2 B 97.058 1 ATOM 1895 O O . VAL 47 596 ? B -8.295 5.195 2.157 1.000 2 B 97.058 1 ATOM 1896 C CB . VAL 47 596 ? B -8.870 8.543 1.875 1.000 2 B 97.058 1 ATOM 1897 C CG1 . VAL 47 596 ? B -9.457 9.740 2.620 1.000 2 B 97.058 1 ATOM 1898 C CG2 . VAL 47 596 ? B -7.361 8.458 2.098 1.000 2 B 97.058 1 ATOM 1899 N N . PRO 48 597 ? B -9.273 5.902 0.275 1.000 2 B 96.452 1 ATOM 1900 C CA . PRO 48 597 ? B -8.646 4.849 -0.528 1.000 2 B 96.452 1 ATOM 1901 C C . PRO 48 597 ? B -7.128 4.995 -0.609 1.000 2 B 96.452 1 ATOM 1902 O O . PRO 48 597 ? B -6.592 6.073 -0.342 1.000 2 B 96.452 1 ATOM 1903 C CB . PRO 48 597 ? B -9.286 5.029 -1.906 1.000 2 B 96.452 1 ATOM 1904 C CG . PRO 48 597 ? B -10.571 5.744 -1.640 1.000 2 B 96.452 1 ATOM 1905 C CD . PRO 48 597 ? B -10.372 6.662 -0.468 1.000 2 B 96.452 1 ATOM 1906 N N . LEU 49 598 ? B -6.442 3.835 -1.005 1.000 2 B 96.362 1 ATOM 1907 C CA . LEU 49 598 ? B -4.985 3.779 -1.055 1.000 2 B 96.362 1 ATOM 1908 C C . LEU 49 598 ? B -4.423 4.951 -1.854 1.000 2 B 96.362 1 ATOM 1909 O O . LEU 49 598 ? B -3.432 5.564 -1.450 1.000 2 B 96.362 1 ATOM 1910 C CB . LEU 49 598 ? B -4.520 2.457 -1.671 1.000 2 B 96.362 1 ATOM 1911 C CG . LEU 49 598 ? B -3.008 2.236 -1.741 1.000 2 B 96.362 1 ATOM 1912 C CD1 . LEU 49 598 ? B -2.410 2.210 -0.339 1.000 2 B 96.362 1 ATOM 1913 C CD2 . LEU 49 598 ? B -2.690 0.945 -2.488 1.000 2 B 96.362 1 ATOM 1914 N N . LEU 50 599 ? B -5.073 5.349 -2.906 1.000 2 B 95.417 1 ATOM 1915 C CA . LEU 50 599 ? B -4.573 6.393 -3.794 1.000 2 B 95.417 1 ATOM 1916 C C . LEU 50 599 ? B -5.061 7.767 -3.347 1.000 2 B 95.417 1 ATOM 1917 O O . LEU 50 599 ? B -4.743 8.778 -3.976 1.000 2 B 95.417 1 ATOM 1918 C CB . LEU 50 599 ? B -5.012 6.127 -5.236 1.000 2 B 95.417 1 ATOM 1919 C CG . LEU 50 599 ? B -4.590 4.785 -5.837 1.000 2 B 95.417 1 ATOM 1920 C CD1 . LEU 50 599 ? B -5.013 4.703 -7.300 1.000 2 B 95.417 1 ATOM 1921 C CD2 . LEU 50 599 ? B -3.084 4.588 -5.699 1.000 2 B 95.417 1 ATOM 1922 N N . GLY 51 600 ? B -5.894 7.831 -2.336 1.000 2 B 94.730 1 ATOM 1923 C CA . GLY 51 600 ? B -6.315 9.093 -1.750 1.000 2 B 94.730 1 ATOM 1924 C C . GLY 51 600 ? B -7.542 9.682 -2.421 1.000 2 B 94.730 1 ATOM 1925 O O . GLY 51 600 ? B -8.114 9.072 -3.327 1.000 2 B 94.730 1 ATOM 1926 N N . CYS 52 601 ? B -8.118 10.692 -1.814 1.000 2 B 93.816 1 ATOM 1927 C CA . CYS 52 601 ? B -9.226 11.499 -2.313 1.000 2 B 93.816 1 ATOM 1928 C C . CYS 52 601 ? B -9.170 12.913 -1.747 1.000 2 B 93.816 1 ATOM 1929 O O . CYS 52 601 ? B -8.341 13.208 -0.884 1.000 2 B 93.816 1 ATOM 1930 C CB . CYS 52 601 ? B -10.564 10.851 -1.957 1.000 2 B 93.816 1 ATOM 1931 S SG . CYS 52 601 ? B -11.006 11.003 -0.212 1.000 2 B 93.816 1 ATOM 1932 N N . GLU 53 602 ? B -9.863 13.744 -2.380 1.000 2 B 90.799 1 ATOM 1933 C CA . GLU 53 602 ? B -9.926 15.114 -1.881 1.000 2 B 90.799 1 ATOM 1934 C C . GLU 53 602 ? B -10.632 15.178 -0.529 1.000 2 B 90.799 1 ATOM 1935 O O . GLU 53 602 ? B -11.739 14.656 -0.376 1.000 2 B 90.799 1 ATOM 1936 C CB . GLU 53 602 ? B -10.637 16.022 -2.888 1.000 2 B 90.799 1 ATOM 1937 C CG . GLU 53 602 ? B -10.559 17.502 -2.545 1.000 2 B 90.799 1 ATOM 1938 C CD . GLU 53 602 ? B -11.146 18.400 -3.622 1.000 2 B 90.799 1 ATOM 1939 O OE1 . GLU 53 602 ? B -11.089 19.642 -3.475 1.000 2 B 90.799 1 ATOM 1940 O OE2 . GLU 53 602 ? B -11.667 17.857 -4.622 1.000 2 B 90.799 1 ATOM 1941 N N . VAL 54 603 ? B -9.873 15.734 0.436 1.000 2 B 89.445 1 ATOM 1942 C CA . VAL 54 603 ? B -10.418 15.842 1.785 1.000 2 B 89.445 1 ATOM 1943 C C . VAL 54 603 ? B -10.618 17.312 2.145 1.000 2 B 89.445 1 ATOM 1944 O O . VAL 54 603 ? B -9.648 18.041 2.368 1.000 2 B 89.445 1 ATOM 1945 C CB . VAL 54 603 ? B -9.502 15.158 2.824 1.000 2 B 89.445 1 ATOM 1946 C CG1 . VAL 54 603 ? B -10.122 15.226 4.218 1.000 2 B 89.445 1 ATOM 1947 C CG2 . VAL 54 603 ? B -9.232 13.708 2.425 1.000 2 B 89.445 1 ATOM 1948 N N . GLU 55 604 ? B -11.796 17.801 2.158 1.000 2 B 87.811 1 ATOM 1949 C CA . GLU 55 604 ? B -12.095 19.202 2.439 1.000 2 B 87.811 1 ATOM 1950 C C . GLU 55 604 ? B -12.215 19.451 3.940 1.000 2 B 87.811 1 ATOM 1951 O O . GLU 55 604 ? B -11.935 20.553 4.416 1.000 2 B 87.811 1 ATOM 1952 C CB . GLU 55 604 ? B -13.382 19.630 1.730 1.000 2 B 87.811 1 ATOM 1953 C CG . GLU 55 604 ? B -13.299 19.563 0.212 1.000 2 B 87.811 1 ATOM 1954 C CD . GLU 55 604 ? B -14.567 20.039 -0.480 1.000 2 B 87.811 1 ATOM 1955 O OE1 . GLU 55 604 ? B -14.573 20.148 -1.727 1.000 2 B 87.811 1 ATOM 1956 O OE2 . GLU 55 604 ? B -15.561 20.306 0.231 1.000 2 B 87.811 1 ATOM 1957 N N . ALA 56 605 ? B -12.447 18.486 4.653 1.000 2 B 86.729 1 ATOM 1958 C CA . ALA 56 605 ? B -12.641 18.599 6.096 1.000 2 B 86.729 1 ATOM 1959 C C . ALA 56 605 ? B -11.304 18.591 6.832 1.000 2 B 86.729 1 ATOM 1960 O O . ALA 56 605 ? B -10.337 17.982 6.368 1.000 2 B 86.729 1 ATOM 1961 C CB . ALA 56 605 ? B -13.531 17.467 6.604 1.000 2 B 86.729 1 ATOM 1962 N N . THR 57 606 ? B -11.223 19.420 7.907 1.000 2 B 90.528 1 ATOM 1963 C CA . THR 57 606 ? B -10.041 19.415 8.761 1.000 2 B 90.528 1 ATOM 1964 C C . THR 57 606 ? B -10.025 18.178 9.655 1.000 2 B 90.528 1 ATOM 1965 O O . THR 57 606 ? B -10.961 17.949 10.423 1.000 2 B 90.528 1 ATOM 1966 C CB . THR 57 606 ? B -9.977 20.682 9.634 1.000 2 B 90.528 1 ATOM 1967 O OG1 . THR 57 606 ? B -10.104 21.838 8.797 1.000 2 B 90.528 1 ATOM 1968 C CG2 . THR 57 606 ? B -8.656 20.762 10.392 1.000 2 B 90.528 1 ATOM 1969 N N . VAL 58 607 ? B -9.032 17.322 9.385 1.000 2 B 93.910 1 ATOM 1970 C CA . VAL 58 607 ? B -8.938 16.090 10.162 1.000 2 B 93.910 1 ATOM 1971 C C . VAL 58 607 ? B -7.544 15.969 10.774 1.000 2 B 93.910 1 ATOM 1972 O O . VAL 58 607 ? B -6.613 16.660 10.354 1.000 2 B 93.910 1 ATOM 1973 C CB . VAL 58 607 ? B -9.249 14.849 9.296 1.000 2 B 93.910 1 ATOM 1974 C CG1 . VAL 58 607 ? B -10.701 14.870 8.823 1.000 2 B 93.910 1 ATOM 1975 C CG2 . VAL 58 607 ? B -8.297 14.779 8.103 1.000 2 B 93.910 1 ATOM 1976 N N . GLY 59 608 ? B -7.462 15.232 11.885 1.000 2 B 94.891 1 ATOM 1977 C CA . GLY 59 608 ? B -6.174 14.987 12.514 1.000 2 B 94.891 1 ATOM 1978 C C . GLY 59 608 ? B -5.184 14.296 11.596 1.000 2 B 94.891 1 ATOM 1979 O O . GLY 59 608 ? B -4.099 14.822 11.335 1.000 2 B 94.891 1 ATOM 1980 N N . GLU 60 609 ? B -5.586 13.064 11.103 1.000 2 B 97.029 1 ATOM 1981 C CA . GLU 60 609 ? B -4.727 12.272 10.228 1.000 2 B 97.029 1 ATOM 1982 C C . GLU 60 609 ? B -5.523 11.666 9.075 1.000 2 B 97.029 1 ATOM 1983 O O . GLU 60 609 ? B -6.661 11.230 9.261 1.000 2 B 97.029 1 ATOM 1984 C CB . GLU 60 609 ? B -4.025 11.166 11.021 1.000 2 B 97.029 1 ATOM 1985 C CG . GLU 60 609 ? B -3.124 11.684 12.133 1.000 2 B 97.029 1 ATOM 1986 C CD . GLU 60 609 ? B -1.772 12.167 11.633 1.000 2 B 97.029 1 ATOM 1987 O OE1 . GLU 60 609 ? B -1.100 12.941 12.353 1.000 2 B 97.029 1 ATOM 1988 O OE2 . GLU 60 609 ? B -1.381 11.769 10.513 1.000 2 B 97.029 1 ATOM 1989 N N . VAL 61 610 ? B -4.956 11.726 7.918 1.000 2 B 97.589 1 ATOM 1990 C CA . VAL 61 610 ? B -5.545 11.031 6.778 1.000 2 B 97.589 1 ATOM 1991 C C . VAL 61 610 ? B -4.897 9.657 6.620 1.000 2 B 97.589 1 ATOM 1992 O O . VAL 61 610 ? B -3.688 9.556 6.399 1.000 2 B 97.589 1 ATOM 1993 C CB . VAL 61 610 ? B -5.392 11.846 5.475 1.000 2 B 97.589 1 ATOM 1994 C CG1 . VAL 61 610 ? B -6.056 11.123 4.304 1.000 2 B 97.589 1 ATOM 1995 C CG2 . VAL 61 610 ? B -5.983 13.244 5.648 1.000 2 B 97.589 1 ATOM 1996 N N . VAL 62 611 ? B -5.717 8.603 6.725 1.000 2 B 98.073 1 ATOM 1997 C CA . VAL 62 611 ? B -5.193 7.243 6.663 1.000 2 B 98.073 1 ATOM 1998 C C . VAL 62 611 ? B -5.906 6.464 5.561 1.000 2 B 98.073 1 ATOM 1999 O O . VAL 62 611 ? B -7.027 6.805 5.176 1.000 2 B 98.073 1 ATOM 2000 C CB . VAL 62 611 ? B -5.348 6.514 8.017 1.000 2 B 98.073 1 ATOM 2001 C CG1 . VAL 62 611 ? B -4.493 7.183 9.092 1.000 2 B 98.073 1 ATOM 2002 C CG2 . VAL 62 611 ? B -6.815 6.481 8.440 1.000 2 B 98.073 1 ATOM 2003 N N . THR 63 612 ? B -5.212 5.468 5.003 1.000 2 B 97.664 1 ATOM 2004 C CA . THR 63 612 ? B -5.777 4.656 3.931 1.000 2 B 97.664 1 ATOM 2005 C C . THR 63 612 ? B -6.552 3.471 4.500 1.000 2 B 97.664 1 ATOM 2006 O O . THR 63 612 ? B -6.443 3.165 5.689 1.000 2 B 97.664 1 ATOM 2007 C CB . THR 63 612 ? B -4.679 4.145 2.979 1.000 2 B 97.664 1 ATOM 2008 O OG1 . THR 63 612 ? B -3.757 3.333 3.716 1.000 2 B 97.664 1 ATOM 2009 C CG2 . THR 63 612 ? B -3.920 5.305 2.342 1.000 2 B 97.664 1 ATOM 2010 N N . ASN 64 613 ? B -7.362 2.898 3.667 1.000 2 B 95.570 1 ATOM 2011 C CA . ASN 64 613 ? B -8.079 1.690 4.061 1.000 2 B 95.570 1 ATOM 2012 C C . ASN 64 613 ? B -7.118 0.564 4.432 1.000 2 B 95.570 1 ATOM 2013 O O . ASN 64 613 ? B -7.442 -0.285 5.264 1.000 2 B 95.570 1 ATOM 2014 C CB . ASN 64 613 ? B -9.022 1.237 2.944 1.000 2 B 95.570 1 ATOM 2015 C CG . ASN 64 613 ? B -8.302 1.003 1.631 1.000 2 B 95.570 1 ATOM 2016 O OD1 . ASN 64 613 ? B -7.458 1.804 1.220 1.000 2 B 95.570 1 ATOM 2017 N ND2 . ASN 64 613 ? B -8.630 -0.096 0.962 1.000 2 B 95.570 1 ATOM 2018 N N . THR 65 614 ? B -5.890 0.557 3.897 1.000 2 B 96.322 1 ATOM 2019 C CA . THR 65 614 ? B -4.853 -0.404 4.255 1.000 2 B 96.322 1 ATOM 2020 C C . THR 65 614 ? B -4.499 -0.292 5.735 1.000 2 B 96.322 1 ATOM 2021 O O . THR 65 614 ? B -4.355 -1.305 6.423 1.000 2 B 96.322 1 ATOM 2022 C CB . THR 65 614 ? B -3.586 -0.201 3.404 1.000 2 B 96.322 1 ATOM 2023 O OG1 . THR 65 614 ? B -3.916 -0.367 2.019 1.000 2 B 96.322 1 ATOM 2024 C CG2 . THR 65 614 ? B -2.503 -1.207 3.781 1.000 2 B 96.322 1 ATOM 2025 N N . TRP 66 615 ? B -4.401 0.885 6.246 1.000 2 B 97.783 1 ATOM 2026 C CA . TRP 66 615 ? B -4.128 1.136 7.657 1.000 2 B 97.783 1 ATOM 2027 C C . TRP 66 615 ? B -5.227 0.550 8.537 1.000 2 B 97.783 1 ATOM 2028 O O . TRP 66 615 ? B -4.942 -0.137 9.522 1.000 2 B 97.783 1 ATOM 2029 C CB . TRP 66 615 ? B -3.993 2.639 7.921 1.000 2 B 97.783 1 ATOM 2030 C CG . TRP 66 615 ? B -3.766 2.987 9.361 1.000 2 B 97.783 1 ATOM 2031 C CD1 . TRP 66 615 ? B -2.570 3.017 10.023 1.000 2 B 97.783 1 ATOM 2032 C CD2 . TRP 66 615 ? B -4.765 3.349 10.320 1.000 2 B 97.783 1 ATOM 2033 N NE1 . TRP 66 615 ? B -2.765 3.378 11.336 1.000 2 B 97.783 1 ATOM 2034 C CE2 . TRP 66 615 ? B -4.102 3.587 11.544 1.000 2 B 97.783 1 ATOM 2035 C CE3 . TRP 66 615 ? B -6.157 3.497 10.262 1.000 2 B 97.783 1 ATOM 2036 C CZ2 . TRP 66 615 ? B -4.786 3.965 12.702 1.000 2 B 97.783 1 ATOM 2037 C CZ3 . TRP 66 615 ? B -6.836 3.874 11.415 1.000 2 B 97.783 1 ATOM 2038 C CH2 . TRP 66 615 ? B -6.147 4.103 12.618 1.000 2 B 97.783 1 ATOM 2039 N N . LEU 67 616 ? B -6.439 0.862 8.139 1.000 2 B 97.088 1 ATOM 2040 C CA . LEU 67 616 ? B -7.600 0.410 8.899 1.000 2 B 97.088 1 ATOM 2041 C C . LEU 67 616 ? B -7.628 -1.112 8.994 1.000 2 B 97.088 1 ATOM 2042 O O . LEU 67 616 ? B -7.731 -1.667 10.091 1.000 2 B 97.088 1 ATOM 2043 C CB . LEU 67 616 ? B -8.893 0.917 8.254 1.000 2 B 97.088 1 ATOM 2044 C CG . LEU 67 616 ? B -10.199 0.486 8.924 1.000 2 B 97.088 1 ATOM 2045 C CD1 . LEU 67 616 ? B -10.287 1.064 10.333 1.000 2 B 97.088 1 ATOM 2046 C CD2 . LEU 67 616 ? B -11.398 0.919 8.087 1.000 2 B 97.088 1 ATOM 2047 N N . VAL 68 617 ? B -7.480 -1.766 7.891 1.000 2 B 95.994 1 ATOM 2048 C CA . VAL 68 617 ? B -7.552 -3.222 7.831 1.000 2 B 95.994 1 ATOM 2049 C C . VAL 68 617 ? B -6.389 -3.829 8.614 1.000 2 B 95.994 1 ATOM 2050 O O . VAL 68 617 ? B -6.567 -4.811 9.339 1.000 2 B 95.994 1 ATOM 2051 C CB . VAL 68 617 ? B -7.536 -3.732 6.373 1.000 2 B 95.994 1 ATOM 2052 C CG1 . VAL 68 617 ? B -7.384 -5.251 6.333 1.000 2 B 95.994 1 ATOM 2053 C CG2 . VAL 68 617 ? B -8.806 -3.299 5.643 1.000 2 B 95.994 1 ATOM 2054 N N . THR 69 618 ? B -5.249 -3.269 8.518 1.000 2 B 95.733 1 ATOM 2055 C CA . THR 69 618 ? B -4.081 -3.759 9.241 1.000 2 B 95.733 1 ATOM 2056 C C . THR 69 618 ? B -4.289 -3.641 10.749 1.000 2 B 95.733 1 ATOM 2057 O O . THR 69 618 ? B -3.960 -4.561 11.500 1.000 2 B 95.733 1 ATOM 2058 C CB . THR 69 618 ? B -2.809 -2.991 8.835 1.000 2 B 95.733 1 ATOM 2059 O OG1 . THR 69 618 ? B -2.604 -3.131 7.424 1.000 2 B 95.733 1 ATOM 2060 C CG2 . THR 69 618 ? B -1.585 -3.526 9.570 1.000 2 B 95.733 1 ATOM 2061 N N . CYS 70 619 ? B -4.833 -2.507 11.195 1.000 2 B 96.391 1 ATOM 2062 C CA . CYS 70 619 ? B -5.119 -2.321 12.613 1.000 2 B 96.391 1 ATOM 2063 C C . CYS 70 619 ? B -6.075 -3.394 13.121 1.000 2 B 96.391 1 ATOM 2064 O O . CYS 70 619 ? B -5.873 -3.949 14.202 1.000 2 B 96.391 1 ATOM 2065 C CB . CYS 70 619 ? B -5.713 -0.936 12.863 1.000 2 B 96.391 1 ATOM 2066 S SG . CYS 70 619 ? B -4.522 0.411 12.682 1.000 2 B 96.391 1 ATOM 2067 N N . ILE 71 620 ? B -7.003 -3.696 12.345 1.000 2 B 95.120 1 ATOM 2068 C CA . ILE 71 620 ? B -8.021 -4.665 12.736 1.000 2 B 95.120 1 ATOM 2069 C C . ILE 71 620 ? B -7.421 -6.070 12.741 1.000 2 B 95.120 1 ATOM 2070 O O . ILE 71 620 ? B -7.637 -6.841 13.679 1.000 2 B 95.120 1 ATOM 2071 C CB . ILE 71 620 ? B -9.246 -4.609 11.796 1.000 2 B 95.120 1 ATOM 2072 C CG1 . ILE 71 620 ? B -9.996 -3.284 11.976 1.000 2 B 95.120 1 ATOM 2073 C CG2 . ILE 71 620 ? B -10.173 -5.802 12.044 1.000 2 B 95.120 1 ATOM 2074 C CD1 . ILE 71 620 ? B -11.063 -3.029 10.920 1.000 2 B 95.120 1 ATOM 2075 N N . ASP 72 621 ? B -6.645 -6.380 11.720 1.000 2 B 92.035 1 ATOM 2076 C CA . ASP 72 621 ? B -6.048 -7.706 11.594 1.000 2 B 92.035 1 ATOM 2077 C C . ASP 72 621 ? B -5.122 -8.005 12.771 1.000 2 B 92.035 1 ATOM 2078 O O . ASP 72 621 ? B -5.146 -9.108 13.322 1.000 2 B 92.035 1 ATOM 2079 C CB . ASP 72 621 ? B -5.280 -7.826 10.277 1.000 2 B 92.035 1 ATOM 2080 C CG . ASP 72 621 ? B -6.189 -8.010 9.074 1.000 2 B 92.035 1 ATOM 2081 O OD1 . ASP 72 621 ? B -7.399 -8.264 9.258 1.000 2 B 92.035 1 ATOM 2082 O OD2 . ASP 72 621 ? B -5.690 -7.904 7.933 1.000 2 B 92.035 1 ATOM 2083 N N . TYR 73 622 ? B -4.429 -6.974 13.176 1.000 2 B 93.472 1 ATOM 2084 C CA . TYR 73 622 ? B -3.424 -7.193 14.210 1.000 2 B 93.472 1 ATOM 2085 C C . TYR 73 622 ? B -3.916 -6.697 15.564 1.000 2 B 93.472 1 ATOM 2086 O O . TYR 73 622 ? B -3.190 -6.763 16.558 1.000 2 B 93.472 1 ATOM 2087 C CB . TYR 73 622 ? B -2.113 -6.493 13.842 1.000 2 B 93.472 1 ATOM 2088 C CG . TYR 73 622 ? B -1.384 -7.135 12.686 1.000 2 B 93.472 1 ATOM 2089 C CD1 . TYR 73 622 ? B -0.603 -8.273 12.876 1.000 2 B 93.472 1 ATOM 2090 C CD2 . TYR 73 622 ? B -1.475 -6.606 11.404 1.000 2 B 93.472 1 ATOM 2091 C CE1 . TYR 73 622 ? B 0.071 -8.868 11.815 1.000 2 B 93.472 1 ATOM 2092 C CE2 . TYR 73 622 ? B -0.804 -7.192 10.335 1.000 2 B 93.472 1 ATOM 2093 C CZ . TYR 73 622 ? B -0.036 -8.321 10.550 1.000 2 B 93.472 1 ATOM 2094 O OH . TYR 73 622 ? B 0.630 -8.906 9.496 1.000 2 B 93.472 1 ATOM 2095 N N . GLN 74 623 ? B -5.186 -6.190 15.527 1.000 2 B 93.895 1 ATOM 2096 C CA . GLN 74 623 ? B -5.779 -5.655 16.748 1.000 2 B 93.895 1 ATOM 2097 C C . GLN 74 623 ? B -4.828 -4.685 17.443 1.000 2 B 93.895 1 ATOM 2098 O O . GLN 74 623 ? B -4.666 -4.733 18.664 1.000 2 B 93.895 1 ATOM 2099 C CB . GLN 74 623 ? B -6.160 -6.789 17.701 1.000 2 B 93.895 1 ATOM 2100 C CG . GLN 74 623 ? B -7.275 -7.685 17.177 1.000 2 B 93.895 1 ATOM 2101 C CD . GLN 74 623 ? B -8.589 -6.946 17.004 1.000 2 B 93.895 1 ATOM 2102 O OE1 . GLN 74 623 ? B -8.997 -6.166 17.870 1.000 2 B 93.895 1 ATOM 2103 N NE2 . GLN 74 623 ? B -9.261 -7.187 15.884 1.000 2 B 93.895 1 ATOM 2104 N N . THR 75 624 ? B -4.134 -3.865 16.648 1.000 2 B 95.561 1 ATOM 2105 C CA . THR 75 624 ? B -3.176 -2.870 17.117 1.000 2 B 95.561 1 ATOM 2106 C C . THR 75 624 ? B -3.349 -1.555 16.362 1.000 2 B 95.561 1 ATOM 2107 O O . THR 75 624 ? B -3.492 -1.550 15.137 1.000 2 B 95.561 1 ATOM 2108 C CB . THR 75 624 ? B -1.728 -3.370 16.958 1.000 2 B 95.561 1 ATOM 2109 O OG1 . THR 75 624 ? B -1.568 -4.592 17.689 1.000 2 B 95.561 1 ATOM 2110 C CG2 . THR 75 624 ? B -0.731 -2.342 17.483 1.000 2 B 95.561 1 ATOM 2111 N N . LEU 76 625 ? B -3.392 -0.527 17.144 1.000 2 B 95.580 1 ATOM 2112 C CA . LEU 76 625 ? B -3.422 0.795 16.529 1.000 2 B 95.580 1 ATOM 2113 C C . LEU 76 625 ? B -2.029 1.215 16.075 1.000 2 B 95.580 1 ATOM 2114 O O . LEU 76 625 ? B -1.180 1.562 16.900 1.000 2 B 95.580 1 ATOM 2115 C CB . LEU 76 625 ? B -3.986 1.829 17.508 1.000 2 B 95.580 1 ATOM 2116 C CG . LEU 76 625 ? B -4.372 3.185 16.915 1.000 2 B 95.580 1 ATOM 2117 C CD1 . LEU 76 625 ? B -5.527 3.024 15.932 1.000 2 B 95.580 1 ATOM 2118 C CD2 . LEU 76 625 ? B -4.737 4.168 18.021 1.000 2 B 95.580 1 ATOM 2119 N N . PHE 77 626 ? B -1.815 1.295 14.813 1.000 2 B 96.729 1 ATOM 2120 C CA . PHE 77 626 ? B -0.506 1.592 14.243 1.000 2 B 96.729 1 ATOM 2121 C C . PHE 77 626 ? B -0.353 3.087 13.987 1.000 2 B 96.729 1 ATOM 2122 O O . PHE 77 626 ? B -1.337 3.780 13.722 1.000 2 B 96.729 1 ATOM 2123 C CB . PHE 77 626 ? B -0.296 0.813 12.941 1.000 2 B 96.729 1 ATOM 2124 C CG . PHE 77 626 ? B -0.076 -0.662 13.145 1.000 2 B 96.729 1 ATOM 2125 C CD1 . PHE 77 626 ? B 1.174 -1.149 13.506 1.000 2 B 96.729 1 ATOM 2126 C CD2 . PHE 77 626 ? B -1.121 -1.562 12.976 1.000 2 B 96.729 1 ATOM 2127 C CE1 . PHE 77 626 ? B 1.381 -2.514 13.695 1.000 2 B 96.729 1 ATOM 2128 C CE2 . PHE 77 626 ? B -0.922 -2.927 13.164 1.000 2 B 96.729 1 ATOM 2129 C CZ . PHE 77 626 ? B 0.330 -3.401 13.522 1.000 2 B 96.729 1 ATOM 2130 N N . ASP 78 627 ? B 0.911 3.528 14.161 1.000 2 B 96.778 1 ATOM 2131 C CA . ASP 78 627 ? B 1.247 4.881 13.732 1.000 2 B 96.778 1 ATOM 2132 C C . ASP 78 627 ? B 1.138 5.020 12.215 1.000 2 B 96.778 1 ATOM 2133 O O . ASP 78 627 ? B 1.782 4.277 11.471 1.000 2 B 96.778 1 ATOM 2134 C CB . ASP 78 627 ? B 2.657 5.257 14.194 1.000 2 B 96.778 1 ATOM 2135 C CG . ASP 78 627 ? B 3.038 6.682 13.837 1.000 2 B 96.778 1 ATOM 2136 O OD1 . ASP 78 627 ? B 2.163 7.454 13.389 1.000 2 B 96.778 1 ATOM 2137 O OD2 . ASP 78 627 ? B 4.226 7.036 14.001 1.000 2 B 96.778 1 ATOM 2138 N N . PRO 79 628 ? B 0.277 6.006 11.763 1.000 2 B 96.565 1 ATOM 2139 C CA . PRO 79 628 ? B 0.084 6.161 10.319 1.000 2 B 96.565 1 ATOM 2140 C C . PRO 79 628 ? B 1.395 6.383 9.569 1.000 2 B 96.565 1 ATOM 2141 O O . PRO 79 628 ? B 1.484 6.089 8.374 1.000 2 B 96.565 1 ATOM 2142 C CB . PRO 79 628 ? B -0.820 7.392 10.215 1.000 2 B 96.565 1 ATOM 2143 C CG . PRO 79 628 ? B -1.626 7.382 11.474 1.000 2 B 96.565 1 ATOM 2144 C CD . PRO 79 628 ? B -0.745 6.923 12.600 1.000 2 B 96.565 1 ATOM 2145 N N . LYS 80 629 ? B 2.470 6.788 10.168 1.000 2 B 95.648 1 ATOM 2146 C CA . LYS 80 629 ? B 3.752 7.081 9.534 1.000 2 B 95.648 1 ATOM 2147 C C . LYS 80 629 ? B 4.644 5.844 9.500 1.000 2 B 95.648 1 ATOM 2148 O O . LYS 80 629 ? B 5.714 5.859 8.887 1.000 2 B 95.648 1 ATOM 2149 C CB . LYS 80 629 ? B 4.465 8.221 10.263 1.000 2 B 95.648 1 ATOM 2150 C CG . LYS 80 629 ? B 3.740 9.557 10.182 1.000 2 B 95.648 1 ATOM 2151 C CD . LYS 80 629 ? B 4.497 10.649 10.926 1.000 2 B 95.648 1 ATOM 2152 C CE . LYS 80 629 ? B 3.751 11.976 10.883 1.000 2 B 95.648 1 ATOM 2153 N NZ . LYS 80 629 ? B 4.465 13.038 11.652 1.000 2 B 95.648 1 ATOM 2154 N N . SER 81 630 ? B 4.275 4.822 10.196 1.000 2 B 95.956 1 ATOM 2155 C CA . SER 81 630 ? B 5.100 3.626 10.337 1.000 2 B 95.956 1 ATOM 2156 C C . SER 81 630 ? B 5.178 2.851 9.026 1.000 2 B 95.956 1 ATOM 2157 O O . SER 81 630 ? B 6.121 2.088 8.805 1.000 2 B 95.956 1 ATOM 2158 C CB . SER 81 630 ? B 4.551 2.723 11.442 1.000 2 B 95.956 1 ATOM 2159 O OG . SER 81 630 ? B 3.250 2.265 11.116 1.000 2 B 95.956 1 ATOM 2160 N N . ASN 82 631 ? B 4.274 2.970 8.179 1.000 2 B 95.578 1 ATOM 2161 C CA . ASN 82 631 ? B 4.188 2.307 6.882 1.000 2 B 95.578 1 ATOM 2162 C C . ASN 82 631 ? B 3.698 3.260 5.796 1.000 2 B 95.578 1 ATOM 2163 O O . ASN 82 631 ? B 2.660 3.906 5.953 1.000 2 B 95.578 1 ATOM 2164 C CB . ASN 82 631 ? B 3.275 1.082 6.965 1.000 2 B 95.578 1 ATOM 2165 C CG . ASN 82 631 ? B 3.374 0.196 5.739 1.000 2 B 95.578 1 ATOM 2166 O OD1 . ASN 82 631 ? B 3.517 0.684 4.615 1.000 2 B 95.578 1 ATOM 2167 N ND2 . ASN 82 631 ? B 3.300 -1.114 5.946 1.000 2 B 95.578 1 ATOM 2168 N N . PRO 83 632 ? B 4.455 3.309 4.721 1.000 2 B 96.371 1 ATOM 2169 C CA . PRO 83 632 ? B 4.124 4.290 3.685 1.000 2 B 96.371 1 ATOM 2170 C C . PRO 83 632 ? B 2.761 4.035 3.045 1.000 2 B 96.371 1 ATOM 2171 O O . PRO 83 632 ? B 2.217 4.914 2.372 1.000 2 B 96.371 1 ATOM 2172 C CB . PRO 83 632 ? B 5.249 4.117 2.662 1.000 2 B 96.371 1 ATOM 2173 C CG . PRO 83 632 ? B 5.758 2.729 2.885 1.000 2 B 96.371 1 ATOM 2174 C CD . PRO 83 632 ? B 5.657 2.414 4.350 1.000 2 B 96.371 1 ATOM 2175 N N . LEU 84 633 ? B 2.202 2.873 3.248 1.000 2 B 97.322 1 ATOM 2176 C CA . LEU 84 633 ? B 0.914 2.542 2.648 1.000 2 B 97.322 1 ATOM 2177 C C . LEU 84 633 ? B -0.234 2.972 3.555 1.000 2 B 97.322 1 ATOM 2178 O O . LEU 84 633 ? B -1.403 2.854 3.182 1.000 2 B 97.322 1 ATOM 2179 C CB . LEU 84 633 ? B 0.823 1.040 2.368 1.000 2 B 97.322 1 ATOM 2180 C CG . LEU 84 633 ? B 1.852 0.469 1.390 1.000 2 B 97.322 1 ATOM 2181 C CD1 . LEU 84 633 ? B 1.697 -1.044 1.282 1.000 2 B 97.322 1 ATOM 2182 C CD2 . LEU 84 633 ? B 1.709 1.126 0.020 1.000 2 B 97.322 1 ATOM 2183 N N . PHE 85 634 ? B 0.099 3.475 4.765 1.000 2 B 97.988 1 ATOM 2184 C CA . PHE 85 634 ? B -0.933 3.835 5.730 1.000 2 B 97.988 1 ATOM 2185 C C . PHE 85 634 ? B -1.454 5.242 5.465 1.000 2 B 97.988 1 ATOM 2186 O O . PHE 85 634 ? B -2.494 5.636 5.998 1.000 2 B 97.988 1 ATOM 2187 C CB . PHE 85 634 ? B -0.392 3.736 7.160 1.000 2 B 97.988 1 ATOM 2188 C CG . PHE 85 634 ? B -0.213 2.323 7.644 1.000 2 B 97.988 1 ATOM 2189 C CD1 . PHE 85 634 ? B -0.621 1.248 6.863 1.000 2 B 97.988 1 ATOM 2190 C CD2 . PHE 85 634 ? B 0.364 2.068 8.882 1.000 2 B 97.988 1 ATOM 2191 C CE1 . PHE 85 634 ? B -0.456 -0.061 7.309 1.000 2 B 97.988 1 ATOM 2192 C CE2 . PHE 85 634 ? B 0.532 0.763 9.334 1.000 2 B 97.988 1 ATOM 2193 C CZ . PHE 85 634 ? B 0.120 -0.300 8.547 1.000 2 B 97.988 1 ATOM 2194 N N . THR 86 635 ? B -0.733 5.891 4.624 1.000 2 B 97.141 1 ATOM 2195 C CA . THR 86 635 ? B -1.160 7.189 4.114 1.000 2 B 97.141 1 ATOM 2196 C C . THR 86 635 ? B -1.276 7.161 2.592 1.000 2 B 97.141 1 ATOM 2197 O O . THR 86 635 ? B -0.690 6.297 1.936 1.000 2 B 97.141 1 ATOM 2198 C CB . THR 86 635 ? B -0.184 8.303 4.536 1.000 2 B 97.141 1 ATOM 2199 O OG1 . THR 86 635 ? B 1.120 8.009 4.020 1.000 2 B 97.141 1 ATOM 2200 C CG2 . THR 86 635 ? B -0.103 8.417 6.055 1.000 2 B 97.141 1 ATOM 2201 N N . PRO 87 636 ? B -2.178 8.066 2.054 1.000 2 B 97.307 1 ATOM 2202 C CA . PRO 87 636 ? B -2.387 8.026 0.605 1.000 2 B 97.307 1 ATOM 2203 C C . PRO 87 636 ? B -1.078 8.061 -0.180 1.000 2 B 97.307 1 ATOM 2204 O O . PRO 87 636 ? B -0.203 8.882 0.107 1.000 2 B 97.307 1 ATOM 2205 C CB . PRO 87 636 ? B -3.219 9.282 0.334 1.000 2 B 97.307 1 ATOM 2206 C CG . PRO 87 636 ? B -3.963 9.530 1.607 1.000 2 B 97.307 1 ATOM 2207 C CD . PRO 87 636 ? B -3.073 9.159 2.758 1.000 2 B 97.307 1 ATOM 2208 N N . VAL 88 637 ? B -1.005 7.151 -1.162 1.000 2 B 97.217 1 ATOM 2209 C CA . VAL 88 637 ? B 0.204 6.969 -1.958 1.000 2 B 97.217 1 ATOM 2210 C C . VAL 88 637 ? B 0.120 7.815 -3.227 1.000 2 B 97.217 1 ATOM 2211 O O . VAL 88 637 ? B -0.799 7.649 -4.032 1.000 2 B 97.217 1 ATOM 2212 C CB . VAL 88 637 ? B 0.426 5.484 -2.322 1.000 2 B 97.217 1 ATOM 2213 C CG1 . VAL 88 637 ? B 1.652 5.325 -3.219 1.000 2 B 97.217 1 ATOM 2214 C CG2 . VAL 88 637 ? B 0.573 4.642 -1.056 1.000 2 B 97.217 1 ATOM 2215 N N . PRO 89 638 ? B 1.114 8.725 -3.362 1.000 2 B 96.385 1 ATOM 2216 C CA . PRO 89 638 ? B 1.140 9.510 -4.599 1.000 2 B 96.385 1 ATOM 2217 C C . PRO 89 638 ? B 1.429 8.657 -5.832 1.000 2 B 96.385 1 ATOM 2218 O O . PRO 89 638 ? B 2.369 7.858 -5.828 1.000 2 B 96.385 1 ATOM 2219 C CB . PRO 89 638 ? B 2.267 10.516 -4.355 1.000 2 B 96.385 1 ATOM 2220 C CG . PRO 89 638 ? B 3.144 9.866 -3.333 1.000 2 B 96.385 1 ATOM 2221 C CD . PRO 89 638 ? B 2.308 8.922 -2.518 1.000 2 B 96.385 1 ATOM 2222 N N . VAL 90 639 ? B 0.575 8.853 -6.795 1.000 2 B 96.620 1 ATOM 2223 C CA . VAL 90 639 ? B 0.758 8.098 -8.031 1.000 2 B 96.620 1 ATOM 2224 C C . VAL 90 639 ? B 0.559 9.018 -9.233 1.000 2 B 96.620 1 ATOM 2225 O O . VAL 90 639 ? B -0.383 9.814 -9.264 1.000 2 B 96.620 1 ATOM 2226 C CB . VAL 90 639 ? B -0.212 6.898 -8.111 1.000 2 B 96.620 1 ATOM 2227 C CG1 . VAL 90 639 ? B -0.075 6.182 -9.453 1.000 2 B 96.620 1 ATOM 2228 C CG2 . VAL 90 639 ? B 0.041 5.930 -6.957 1.000 2 B 96.620 1 ATOM 2229 N N . MET 91 640 ? B 1.506 8.880 -10.144 1.000 2 B 96.261 1 ATOM 2230 C CA . MET 91 640 ? B 1.284 9.540 -11.428 1.000 2 B 96.261 1 ATOM 2231 C C . MET 91 640 ? B 0.278 8.764 -12.272 1.000 2 B 96.261 1 ATOM 2232 O O . MET 91 640 ? B 0.570 7.660 -12.734 1.000 2 B 96.261 1 ATOM 2233 C CB . MET 91 640 ? B 2.601 9.690 -12.191 1.000 2 B 96.261 1 ATOM 2234 C CG . MET 91 640 ? B 2.475 10.482 -13.482 1.000 2 B 96.261 1 ATOM 2235 S SD . MET 91 640 ? B 1.987 12.227 -13.193 1.000 2 B 96.261 1 ATOM 2236 C CE . MET 91 640 ? B 3.494 12.853 -12.399 1.000 2 B 96.261 1 ATOM 2237 N N . THR 92 641 ? B -0.911 9.299 -12.426 1.000 2 B 91.866 1 ATOM 2238 C CA . THR 92 641 ? B -2.031 8.598 -13.044 1.000 2 B 91.866 1 ATOM 2239 C C . THR 92 641 ? B -1.790 8.406 -14.539 1.000 2 B 91.866 1 ATOM 2240 O O . THR 92 641 ? B -1.191 9.264 -15.192 1.000 2 B 91.866 1 ATOM 2241 C CB . THR 92 641 ? B -3.353 9.358 -12.828 1.000 2 B 91.866 1 ATOM 2242 O OG1 . THR 92 641 ? B -3.491 9.679 -11.439 1.000 2 B 91.866 1 ATOM 2243 C CG2 . THR 92 641 ? B -4.548 8.518 -13.266 1.000 2 B 91.866 1 ATOM 2244 N N . GLY 93 642 ? B -2.177 7.219 -15.077 1.000 2 B 93.427 1 ATOM 2245 C CA . GLY 93 642 ? B -2.192 6.930 -16.502 1.000 2 B 93.427 1 ATOM 2246 C C . GLY 93 642 ? B -0.873 6.384 -17.015 1.000 2 B 93.427 1 ATOM 2247 O O . GLY 93 642 ? B -0.715 6.152 -18.215 1.000 2 B 93.427 1 ATOM 2248 N N . MET 94 643 ? B 0.023 6.204 -16.144 1.000 2 B 96.647 1 ATOM 2249 C CA . MET 94 643 ? B 1.320 5.678 -16.559 1.000 2 B 96.647 1 ATOM 2250 C C . MET 94 643 ? B 1.460 4.209 -16.173 1.000 2 B 96.647 1 ATOM 2251 O O . MET 94 643 ? B 0.956 3.786 -15.131 1.000 2 B 96.647 1 ATOM 2252 C CB . MET 94 643 ? B 2.456 6.493 -15.937 1.000 2 B 96.647 1 ATOM 2253 C CG . MET 94 643 ? B 2.328 7.991 -16.160 1.000 2 B 96.647 1 ATOM 2254 S SD . MET 94 643 ? B 2.370 8.444 -17.937 1.000 2 B 96.647 1 ATOM 2255 C CE . MET 94 643 ? B 4.099 8.056 -18.326 1.000 2 B 96.647 1 ATOM 2256 N N . THR 95 644 ? B 2.184 3.450 -17.069 1.000 2 B 97.969 1 ATOM 2257 C CA . THR 95 644 ? B 2.427 2.036 -16.805 1.000 2 B 97.969 1 ATOM 2258 C C . THR 95 644 ? B 3.901 1.694 -17.001 1.000 2 B 97.969 1 ATOM 2259 O O . THR 95 644 ? B 4.254 0.949 -17.917 1.000 2 B 97.969 1 ATOM 2260 C CB . THR 95 644 ? B 1.564 1.142 -17.715 1.000 2 B 97.969 1 ATOM 2261 O OG1 . THR 95 644 ? B 1.771 1.521 -19.081 1.000 2 B 97.969 1 ATOM 2262 C CG2 . THR 95 644 ? B 0.083 1.282 -17.379 1.000 2 B 97.969 1 ATOM 2263 N N . PRO 96 645 ? B 4.753 2.184 -16.245 1.000 2 B 98.061 1 ATOM 2264 C CA . PRO 96 645 ? B 6.200 2.044 -16.425 1.000 2 B 98.061 1 ATOM 2265 C C . PRO 96 645 ? B 6.686 0.613 -16.204 1.000 2 B 98.061 1 ATOM 2266 O O . PRO 96 645 ? B 7.798 0.266 -16.611 1.000 2 B 98.061 1 ATOM 2267 C CB . PRO 96 645 ? B 6.779 2.987 -15.368 1.000 2 B 98.061 1 ATOM 2268 C CG . PRO 96 645 ? B 5.737 3.049 -14.299 1.000 2 B 98.061 1 ATOM 2269 C CD . PRO 96 645 ? B 4.384 2.987 -14.947 1.000 2 B 98.061 1 ATOM 2270 N N . LEU 97 646 ? B 5.823 -0.273 -15.656 1.000 2 B 98.315 1 ATOM 2271 C CA . LEU 97 646 ? B 6.286 -1.608 -15.293 1.000 2 B 98.315 1 ATOM 2272 C C . LEU 97 646 ? B 5.594 -2.672 -16.139 1.000 2 B 98.315 1 ATOM 2273 O O . LEU 97 646 ? B 5.349 -3.784 -15.666 1.000 2 B 98.315 1 ATOM 2274 C CB . LEU 97 646 ? B 6.034 -1.877 -13.807 1.000 2 B 98.315 1 ATOM 2275 C CG . LEU 97 646 ? B 6.722 -0.932 -12.821 1.000 2 B 98.315 1 ATOM 2276 C CD1 . LEU 97 646 ? B 6.403 -1.340 -11.386 1.000 2 B 98.315 1 ATOM 2277 C CD2 . LEU 97 646 ? B 8.229 -0.919 -13.056 1.000 2 B 98.315 1 ATOM 2278 N N . GLU 98 647 ? B 5.142 -2.399 -17.338 1.000 2 B 97.694 1 ATOM 2279 C CA . GLU 98 647 ? B 4.357 -3.288 -18.189 1.000 2 B 97.694 1 ATOM 2280 C C . GLU 98 647 ? B 5.139 -4.551 -18.538 1.000 2 B 97.694 1 ATOM 2281 O O . GLU 98 647 ? B 4.548 -5.596 -18.819 1.000 2 B 97.694 1 ATOM 2282 C CB . GLU 98 647 ? B 3.927 -2.566 -19.469 1.000 2 B 97.694 1 ATOM 2283 C CG . GLU 98 647 ? B 5.090 -2.112 -20.339 1.000 2 B 97.694 1 ATOM 2284 C CD . GLU 98 647 ? B 4.651 -1.336 -21.571 1.000 2 B 97.694 1 ATOM 2285 O OE1 . GLU 98 647 ? B 5.523 -0.897 -22.355 1.000 2 B 97.694 1 ATOM 2286 O OE2 . GLU 98 647 ? B 3.425 -1.165 -21.753 1.000 2 B 97.694 1 ATOM 2287 N N . ASP 99 648 ? B 6.469 -4.497 -18.542 1.000 2 B 96.546 1 ATOM 2288 C CA . ASP 99 648 ? B 7.279 -5.653 -18.912 1.000 2 B 96.546 1 ATOM 2289 C C . ASP 99 648 ? B 7.857 -6.338 -17.676 1.000 2 B 96.546 1 ATOM 2290 O O . ASP 99 648 ? B 8.733 -7.198 -17.788 1.000 2 B 96.546 1 ATOM 2291 C CB . ASP 99 648 ? B 8.407 -5.237 -19.859 1.000 2 B 96.546 1 ATOM 2292 C CG . ASP 99 648 ? B 9.313 -4.171 -19.269 1.000 2 B 96.546 1 ATOM 2293 O OD1 . ASP 99 648 ? B 8.832 -3.332 -18.476 1.000 2 B 96.546 1 ATOM 2294 O OD2 . ASP 99 648 ? B 10.517 -4.167 -19.603 1.000 2 B 96.546 1 ATOM 2295 N N . CYS 100 649 ? B 7.349 -5.983 -16.536 1.000 2 B 97.727 1 ATOM 2296 C CA . CYS 100 649 ? B 7.905 -6.519 -15.299 1.000 2 B 97.727 1 ATOM 2297 C C . CYS 100 649 ? B 6.995 -7.592 -14.712 1.000 2 B 97.727 1 ATOM 2298 O O . CYS 100 649 ? B 5.770 -7.469 -14.763 1.000 2 B 97.727 1 ATOM 2299 C CB . CYS 100 649 ? B 8.115 -5.402 -14.277 1.000 2 B 97.727 1 ATOM 2300 S SG . CYS 100 649 ? B 9.382 -4.207 -14.757 1.000 2 B 97.727 1 ATOM 2301 N N . VAL 101 650 ? B 7.577 -8.655 -14.286 1.000 2 B 97.783 1 ATOM 2302 C CA . VAL 101 650 ? B 6.928 -9.671 -13.465 1.000 2 B 97.783 1 ATOM 2303 C C . VAL 101 650 ? B 7.484 -9.621 -12.044 1.000 2 B 97.783 1 ATOM 2304 O O . VAL 101 650 ? B 8.635 -9.996 -11.808 1.000 2 B 97.783 1 ATOM 2305 C CB . VAL 101 650 ? B 7.113 -11.085 -14.060 1.000 2 B 97.783 1 ATOM 2306 C CG1 . VAL 101 650 ? B 6.380 -12.127 -13.216 1.000 2 B 97.783 1 ATOM 2307 C CG2 . VAL 101 650 ? B 6.621 -11.123 -15.506 1.000 2 B 97.783 1 ATOM 2308 N N . ILE 102 651 ? B 6.584 -9.224 -11.101 1.000 2 B 97.910 1 ATOM 2309 C CA . ILE 102 651 ? B 7.050 -8.908 -9.756 1.000 2 B 97.910 1 ATOM 2310 C C . ILE 102 651 ? B 6.567 -9.976 -8.778 1.000 2 B 97.910 1 ATOM 2311 O O . ILE 102 651 ? B 5.421 -10.424 -8.855 1.000 2 B 97.910 1 ATOM 2312 C CB . ILE 102 651 ? B 6.569 -7.511 -9.305 1.000 2 B 97.910 1 ATOM 2313 C CG1 . ILE 102 651 ? B 7.225 -6.419 -10.157 1.000 2 B 97.910 1 ATOM 2314 C CG2 . ILE 102 651 ? B 6.860 -7.294 -7.817 1.000 2 B 97.910 1 ATOM 2315 C CD1 . ILE 102 651 ? B 6.706 -5.016 -9.873 1.000 2 B 97.910 1 ATOM 2316 N N . SER 103 652 ? B 7.430 -10.354 -7.886 1.000 2 B 96.957 1 ATOM 2317 C CA . SER 103 652 ? B 7.090 -11.213 -6.757 1.000 2 B 96.957 1 ATOM 2318 C C . SER 103 652 ? B 7.416 -10.536 -5.430 1.000 2 B 96.957 1 ATOM 2319 O O . SER 103 652 ? B 8.422 -9.833 -5.316 1.000 2 B 96.957 1 ATOM 2320 C CB . SER 103 652 ? B 7.832 -12.546 -6.854 1.000 2 B 96.957 1 ATOM 2321 O OG . SER 103 652 ? B 7.469 -13.238 -8.037 1.000 2 B 96.957 1 ATOM 2322 N N . PHE 104 653 ? B 6.574 -10.709 -4.492 1.000 2 B 96.565 1 ATOM 2323 C CA . PHE 104 653 ? B 6.779 -10.118 -3.175 1.000 2 B 96.565 1 ATOM 2324 C C . PHE 104 653 ? B 7.247 -11.169 -2.176 1.000 2 B 96.565 1 ATOM 2325 O O . PHE 104 653 ? B 6.773 -12.307 -2.196 1.000 2 B 96.565 1 ATOM 2326 C CB . PHE 104 653 ? B 5.491 -9.455 -2.676 1.000 2 B 96.565 1 ATOM 2327 C CG . PHE 104 653 ? B 5.085 -8.243 -3.470 1.000 2 B 96.565 1 ATOM 2328 C CD1 . PHE 104 653 ? B 5.696 -7.015 -3.251 1.000 2 B 96.565 1 ATOM 2329 C CD2 . PHE 104 653 ? B 4.090 -8.333 -4.435 1.000 2 B 96.565 1 ATOM 2330 C CE1 . PHE 104 653 ? B 5.322 -5.891 -3.985 1.000 2 B 96.565 1 ATOM 2331 C CE2 . PHE 104 653 ? B 3.711 -7.214 -5.172 1.000 2 B 96.565 1 ATOM 2332 C CZ . PHE 104 653 ? B 4.327 -5.994 -4.945 1.000 2 B 96.565 1 ATOM 2333 N N . SER 105 654 ? B 8.176 -10.794 -1.360 1.000 2 B 95.106 1 ATOM 2334 C CA . SER 105 654 ? B 8.613 -11.606 -0.230 1.000 2 B 95.106 1 ATOM 2335 C C . SER 105 654 ? B 8.497 -10.836 1.082 1.000 2 B 95.106 1 ATOM 2336 O O . SER 105 654 ? B 8.707 -9.622 1.115 1.000 2 B 95.106 1 ATOM 2337 C CB . SER 105 654 ? B 10.054 -12.074 -0.431 1.000 2 B 95.106 1 ATOM 2338 O OG . SER 105 654 ? B 10.461 -12.921 0.630 1.000 2 B 95.106 1 ATOM 2339 N N . GLN 106 655 ? B 8.003 -11.461 2.113 1.000 2 B 92.491 1 ATOM 2340 C CA . GLN 106 655 ? B 7.937 -10.909 3.462 1.000 2 B 92.491 1 ATOM 2341 C C . GLN 106 655 ? B 6.837 -9.856 3.572 1.000 2 B 92.491 1 ATOM 2342 O O . GLN 106 655 ? B 6.988 -8.865 4.289 1.000 2 B 92.491 1 ATOM 2343 C CB . GLN 106 655 ? B 9.284 -10.304 3.861 1.000 2 B 92.491 1 ATOM 2344 C CG . GLN 106 655 ? B 10.434 -11.301 3.847 1.000 2 B 92.491 1 ATOM 2345 C CD . GLN 106 655 ? B 11.780 -10.649 4.101 1.000 2 B 92.491 1 ATOM 2346 O OE1 . GLN 106 655 ? B 11.871 -9.429 4.271 1.000 2 B 92.491 1 ATOM 2347 N NE2 . GLN 106 655 ? B 12.835 -11.456 4.127 1.000 2 B 92.491 1 ATOM 2348 N N . CYS 107 656 ? B 5.962 -9.871 2.639 1.000 2 B 91.871 1 ATOM 2349 C CA . CYS 107 656 ? B 4.766 -9.039 2.702 1.000 2 B 91.871 1 ATOM 2350 C C . CYS 107 656 ? B 3.515 -9.893 2.870 1.000 2 B 91.871 1 ATOM 2351 O O . CYS 107 656 ? B 3.415 -10.975 2.289 1.000 2 B 91.871 1 ATOM 2352 C CB . CYS 107 656 ? B 4.643 -8.181 1.443 1.000 2 B 91.871 1 ATOM 2353 S SG . CYS 107 656 ? B 6.103 -7.172 1.104 1.000 2 B 91.871 1 ATOM 2354 N N . ALA 108 657 ? B 2.577 -9.403 3.794 1.000 2 B 91.552 1 ATOM 2355 C CA . ALA 108 657 ? B 1.372 -10.199 4.013 1.000 2 B 91.552 1 ATOM 2356 C C . ALA 108 657 ? B 0.166 -9.305 4.286 1.000 2 B 91.552 1 ATOM 2357 O O . ALA 108 657 ? B 0.318 -8.107 4.538 1.000 2 B 91.552 1 ATOM 2358 C CB . ALA 108 657 ? B 1.581 -11.173 5.170 1.000 2 B 91.552 1 ATOM 2359 N N . GLY 109 658 ? B -0.961 -9.917 4.102 1.000 2 B 91.958 1 ATOM 2360 C CA . GLY 109 658 ? B -2.217 -9.288 4.478 1.000 2 B 91.958 1 ATOM 2361 C C . GLY 109 658 ? B -2.572 -8.098 3.607 1.000 2 B 91.958 1 ATOM 2362 O O . GLY 109 658 ? B -2.448 -8.159 2.382 1.000 2 B 91.958 1 ATOM 2363 N N . ALA 110 659 ? B -3.067 -7.034 4.281 1.000 2 B 93.345 1 ATOM 2364 C CA . ALA 110 659 ? B -3.529 -5.829 3.597 1.000 2 B 93.345 1 ATOM 2365 C C . ALA 110 659 ? B -2.372 -5.114 2.904 1.000 2 B 93.345 1 ATOM 2366 O O . ALA 110 659 ? B -2.549 -4.529 1.832 1.000 2 B 93.345 1 ATOM 2367 C CB . ALA 110 659 ? B -4.217 -4.888 4.583 1.000 2 B 93.345 1 ATOM 2368 N N . GLU 111 660 ? B -1.229 -5.284 3.434 1.000 2 B 93.551 1 ATOM 2369 C CA . GLU 111 660 ? B -0.043 -4.664 2.851 1.000 2 B 93.551 1 ATOM 2370 C C . GLU 111 660 ? B 0.291 -5.278 1.495 1.000 2 B 93.551 1 ATOM 2371 O O . GLU 111 660 ? B 0.510 -4.558 0.519 1.000 2 B 93.551 1 ATOM 2372 C CB . GLU 111 660 ? B 1.153 -4.796 3.797 1.000 2 B 93.551 1 ATOM 2373 C CG . GLU 111 660 ? B 2.431 -4.163 3.266 1.000 2 B 93.551 1 ATOM 2374 C CD . GLU 111 660 ? B 3.624 -4.355 4.188 1.000 2 B 93.551 1 ATOM 2375 O OE1 . GLU 111 660 ? B 4.635 -3.633 4.031 1.000 2 B 93.551 1 ATOM 2376 O OE2 . GLU 111 660 ? B 3.549 -5.236 5.073 1.000 2 B 93.551 1 ATOM 2377 N N . LYS 112 661 ? B 0.347 -6.562 1.501 1.000 2 B 95.261 1 ATOM 2378 C CA . LYS 112 661 ? B 0.641 -7.265 0.256 1.000 2 B 95.261 1 ATOM 2379 C C . LYS 112 661 ? B -0.418 -6.972 -0.804 1.000 2 B 95.261 1 ATOM 2380 O O . LYS 112 661 ? B -0.089 -6.734 -1.968 1.000 2 B 95.261 1 ATOM 2381 C CB . LYS 112 661 ? B 0.735 -8.772 0.500 1.000 2 B 95.261 1 ATOM 2382 C CG . LYS 112 661 ? B 1.111 -9.577 -0.736 1.000 2 B 95.261 1 ATOM 2383 C CD . LYS 112 661 ? B 1.106 -11.073 -0.451 1.000 2 B 95.261 1 ATOM 2384 C CE . LYS 112 661 ? B 1.210 -11.888 -1.734 1.000 2 B 95.261 1 ATOM 2385 N NZ . LYS 112 661 ? B 1.296 -13.353 -1.454 1.000 2 B 95.261 1 ATOM 2386 N N . GLU 113 662 ? B -1.624 -6.889 -0.406 1.000 2 B 94.883 1 ATOM 2387 C CA . GLU 113 662 ? B -2.711 -6.607 -1.340 1.000 2 B 94.883 1 ATOM 2388 C C . GLU 113 662 ? B -2.594 -5.198 -1.915 1.000 2 B 94.883 1 ATOM 2389 O O . GLU 113 662 ? B -2.793 -4.993 -3.114 1.000 2 B 94.883 1 ATOM 2390 C CB . GLU 113 662 ? B -4.068 -6.785 -0.655 1.000 2 B 94.883 1 ATOM 2391 C CG . GLU 113 662 ? B -4.383 -8.225 -0.277 1.000 2 B 94.883 1 ATOM 2392 C CD . GLU 113 662 ? B -5.666 -8.368 0.527 1.000 2 B 94.883 1 ATOM 2393 O OE1 . GLU 113 662 ? B -5.974 -9.492 0.983 1.000 2 B 94.883 1 ATOM 2394 O OE2 . GLU 113 662 ? B -6.369 -7.347 0.700 1.000 2 B 94.883 1 ATOM 2395 N N . SER 114 663 ? B -2.255 -4.271 -1.076 1.000 2 B 96.334 1 ATOM 2396 C CA . SER 114 663 ? B -2.072 -2.897 -1.530 1.000 2 B 96.334 1 ATOM 2397 C C . SER 114 663 ? B -0.902 -2.787 -2.502 1.000 2 B 96.334 1 ATOM 2398 O O . SER 114 663 ? B -0.993 -2.092 -3.516 1.000 2 B 96.334 1 ATOM 2399 C CB . SER 114 663 ? B -1.845 -1.964 -0.339 1.000 2 B 96.334 1 ATOM 2400 O OG . SER 114 663 ? B -3.009 -1.885 0.466 1.000 2 B 96.334 1 ATOM 2401 N N . LEU 115 664 ? B 0.132 -3.466 -2.222 1.000 2 B 96.994 1 ATOM 2402 C CA . LEU 115 664 ? B 1.302 -3.442 -3.094 1.000 2 B 96.994 1 ATOM 2403 C C . LEU 115 664 ? B 1.001 -4.119 -4.427 1.000 2 B 96.994 1 ATOM 2404 O O . LEU 115 664 ? B 1.433 -3.644 -5.480 1.000 2 B 96.994 1 ATOM 2405 C CB . LEU 115 664 ? B 2.490 -4.130 -2.416 1.000 2 B 96.994 1 ATOM 2406 C CG . LEU 115 664 ? B 3.118 -3.389 -1.234 1.000 2 B 96.994 1 ATOM 2407 C CD1 . LEU 115 664 ? B 4.090 -4.301 -0.493 1.000 2 B 96.994 1 ATOM 2408 C CD2 . LEU 115 664 ? B 3.822 -2.123 -1.709 1.000 2 B 96.994 1 ATOM 2409 N N . THR 116 665 ? B 0.308 -5.185 -4.309 1.000 2 B 97.154 1 ATOM 2410 C CA . THR 116 665 ? B -0.110 -5.872 -5.525 1.000 2 B 97.154 1 ATOM 2411 C C . THR 116 665 ? B -0.974 -4.961 -6.392 1.000 2 B 97.154 1 ATOM 2412 O O . THR 116 665 ? B -0.773 -4.875 -7.605 1.000 2 B 97.154 1 ATOM 2413 C CB . THR 116 665 ? B -0.886 -7.162 -5.199 1.000 2 B 97.154 1 ATOM 2414 O OG1 . THR 116 665 ? B -0.035 -8.053 -4.469 1.000 2 B 97.154 1 ATOM 2415 C CG2 . THR 116 665 ? B -1.358 -7.856 -6.472 1.000 2 B 97.154 1 ATOM 2416 N N . PHE 117 666 ? B -1.932 -4.290 -5.698 1.000 2 B 96.635 1 ATOM 2417 C CA . PHE 117 666 ? B -2.774 -3.332 -6.403 1.000 2 B 96.635 1 ATOM 2418 C C . PHE 117 666 ? B -1.926 -2.258 -7.075 1.000 2 B 96.635 1 ATOM 2419 O O . PHE 117 666 ? B -2.123 -1.950 -8.252 1.000 2 B 96.635 1 ATOM 2420 C CB . PHE 117 666 ? B -3.776 -2.685 -5.442 1.000 2 B 96.635 1 ATOM 2421 C CG . PHE 117 666 ? B -4.530 -1.528 -6.039 1.000 2 B 96.635 1 ATOM 2422 C CD1 . PHE 117 666 ? B -4.152 -0.218 -5.766 1.000 2 B 96.635 1 ATOM 2423 C CD2 . PHE 117 666 ? B -5.617 -1.749 -6.874 1.000 2 B 96.635 1 ATOM 2424 C CE1 . PHE 117 666 ? B -4.849 0.855 -6.318 1.000 2 B 96.635 1 ATOM 2425 C CE2 . PHE 117 666 ? B -6.318 -0.682 -7.429 1.000 2 B 96.635 1 ATOM 2426 C CZ . PHE 117 666 ? B -5.932 0.619 -7.149 1.000 2 B 96.635 1 ATOM 2427 N N . LEU 118 667 ? B -1.019 -1.703 -6.389 1.000 2 B 97.151 1 ATOM 2428 C CA . LEU 118 667 ? B -0.145 -0.654 -6.903 1.000 2 B 97.151 1 ATOM 2429 C C . LEU 118 667 ? B 0.678 -1.161 -8.082 1.000 2 B 97.151 1 ATOM 2430 O O . LEU 118 667 ? B 0.783 -0.484 -9.108 1.000 2 B 97.151 1 ATOM 2431 C CB . LEU 118 667 ? B 0.785 -0.142 -5.799 1.000 2 B 97.151 1 ATOM 2432 C CG . LEU 118 667 ? B 1.639 1.079 -6.144 1.000 2 B 97.151 1 ATOM 2433 C CD1 . LEU 118 667 ? B 0.751 2.244 -6.567 1.000 2 B 97.151 1 ATOM 2434 C CD2 . LEU 118 667 ? B 2.515 1.471 -4.959 1.000 2 B 97.151 1 ATOM 2435 N N . ALA 119 668 ? B 1.260 -2.316 -7.983 1.000 2 B 97.856 1 ATOM 2436 C CA . ALA 119 668 ? B 2.076 -2.895 -9.048 1.000 2 B 97.856 1 ATOM 2437 C C . ALA 119 668 ? B 1.250 -3.120 -10.311 1.000 2 B 97.856 1 ATOM 2438 O O . ALA 119 668 ? B 1.694 -2.799 -11.416 1.000 2 B 97.856 1 ATOM 2439 C CB . ALA 119 668 ? B 2.702 -4.208 -8.584 1.000 2 B 97.856 1 ATOM 2440 N N . ASN 120 669 ? B 0.077 -3.646 -10.117 1.000 2 B 97.294 1 ATOM 2441 C CA . ASN 120 669 ? B -0.813 -3.856 -11.254 1.000 2 B 97.294 1 ATOM 2442 C C . ASN 120 669 ? B -1.189 -2.537 -11.922 1.000 2 B 97.294 1 ATOM 2443 O O . ASN 120 669 ? B -1.228 -2.447 -13.150 1.000 2 B 97.294 1 ATOM 2444 C CB . ASN 120 669 ? B -2.072 -4.608 -10.818 1.000 2 B 97.294 1 ATOM 2445 C CG . ASN 120 669 ? B -1.812 -6.079 -10.556 1.000 2 B 97.294 1 ATOM 2446 O OD1 . ASN 120 669 ? B -0.942 -6.689 -11.183 1.000 2 B 97.294 1 ATOM 2447 N ND2 . ASN 120 669 ? B -2.565 -6.658 -9.628 1.000 2 B 97.294 1 ATOM 2448 N N . LEU 121 670 ? B -1.461 -1.591 -11.052 1.000 2 B 96.552 1 ATOM 2449 C CA . LEU 121 670 ? B -1.790 -0.264 -11.561 1.000 2 B 96.552 1 ATOM 2450 C C . LEU 121 670 ? B -0.659 0.283 -12.425 1.000 2 B 96.552 1 ATOM 2451 O O . LEU 121 670 ? B -0.907 0.965 -13.422 1.000 2 B 96.552 1 ATOM 2452 C CB . LEU 121 670 ? B -2.076 0.698 -10.405 1.000 2 B 96.552 1 ATOM 2453 C CG . LEU 121 670 ? B -2.482 2.121 -10.792 1.000 2 B 96.552 1 ATOM 2454 C CD1 . LEU 121 670 ? B -3.820 2.111 -11.523 1.000 2 B 96.552 1 ATOM 2455 C CD2 . LEU 121 670 ? B -2.547 3.014 -9.558 1.000 2 B 96.552 1 ATOM 2456 N N . LEU 122 671 ? B 0.578 -0.020 -12.179 1.000 2 B 97.958 1 ATOM 2457 C CA . LEU 122 671 ? B 1.762 0.486 -12.864 1.000 2 B 97.958 1 ATOM 2458 C C . LEU 122 671 ? B 2.112 -0.389 -14.063 1.000 2 B 97.958 1 ATOM 2459 O O . LEU 122 671 ? B 3.130 -0.168 -14.723 1.000 2 B 97.958 1 ATOM 2460 C CB . LEU 122 671 ? B 2.951 0.552 -11.902 1.000 2 B 97.958 1 ATOM 2461 C CG . LEU 122 671 ? B 2.822 1.527 -10.731 1.000 2 B 97.958 1 ATOM 2462 C CD1 . LEU 122 671 ? B 3.969 1.328 -9.746 1.000 2 B 97.958 1 ATOM 2463 C CD2 . LEU 122 671 ? B 2.787 2.966 -11.235 1.000 2 B 97.958 1 ATOM 2464 N N . GLY 123 672 ? B 1.276 -1.462 -14.343 1.000 2 B 97.695 1 ATOM 2465 C CA . GLY 123 672 ? B 1.399 -2.283 -15.537 1.000 2 B 97.695 1 ATOM 2466 C C . GLY 123 672 ? B 2.173 -3.566 -15.301 1.000 2 B 97.695 1 ATOM 2467 O O . GLY 123 672 ? B 2.400 -4.341 -16.233 1.000 2 B 97.695 1 ATOM 2468 N N . ALA 124 673 ? B 2.560 -3.842 -14.105 1.000 2 B 98.002 1 ATOM 2469 C CA . ALA 124 673 ? B 3.344 -5.035 -13.798 1.000 2 B 98.002 1 ATOM 2470 C C . ALA 124 673 ? B 2.441 -6.249 -13.600 1.000 2 B 98.002 1 ATOM 2471 O O . ALA 124 673 ? B 1.273 -6.108 -13.230 1.000 2 B 98.002 1 ATOM 2472 C CB . ALA 124 673 ? B 4.200 -4.804 -12.555 1.000 2 B 98.002 1 ATOM 2473 N N . SER 125 674 ? B 2.965 -7.402 -13.946 1.000 2 B 96.888 1 ATOM 2474 C CA . SER 125 674 ? B 2.333 -8.667 -13.585 1.000 2 B 96.888 1 ATOM 2475 C C . SER 125 674 ? B 2.860 -9.188 -12.252 1.000 2 B 96.888 1 ATOM 2476 O O . SER 125 674 ? B 4.072 -9.290 -12.055 1.000 2 B 96.888 1 ATOM 2477 C CB . SER 125 674 ? B 2.563 -9.712 -14.677 1.000 2 B 96.888 1 ATOM 2478 O OG . SER 125 674 ? B 1.987 -9.294 -15.903 1.000 2 B 96.888 1 ATOM 2479 N N . VAL 126 675 ? B 1.930 -9.391 -11.313 1.000 2 B 96.515 1 ATOM 2480 C CA . VAL 126 675 ? B 2.332 -9.817 -9.976 1.000 2 B 96.515 1 ATOM 2481 C C . VAL 126 675 ? B 2.018 -11.299 -9.790 1.000 2 B 96.515 1 ATOM 2482 O O . VAL 126 675 ? B 0.932 -11.760 -10.148 1.000 2 B 96.515 1 ATOM 2483 C CB . VAL 126 675 ? B 1.633 -8.982 -8.880 1.000 2 B 96.515 1 ATOM 2484 C CG1 . VAL 126 675 ? B 2.103 -9.412 -7.492 1.000 2 B 96.515 1 ATOM 2485 C CG2 . VAL 126 675 ? B 1.893 -7.492 -9.098 1.000 2 B 96.515 1 ATOM 2486 N N . GLN 127 676 ? B 2.952 -12.004 -9.323 1.000 2 B 94.108 1 ATOM 2487 C CA . GLN 127 676 ? B 2.703 -13.406 -9.006 1.000 2 B 94.108 1 ATOM 2488 C C . GLN 127 676 ? B 3.338 -13.791 -7.673 1.000 2 B 94.108 1 ATOM 2489 O O . GLN 127 676 ? B 4.265 -13.126 -7.206 1.000 2 B 94.108 1 ATOM 2490 C CB . GLN 127 676 ? B 3.232 -14.311 -10.120 1.000 2 B 94.108 1 ATOM 2491 C CG . GLN 127 676 ? B 4.742 -14.236 -10.308 1.000 2 B 94.108 1 ATOM 2492 C CD . GLN 127 676 ? B 5.219 -14.994 -11.532 1.000 2 B 94.108 1 ATOM 2493 O OE1 . GLN 127 676 ? B 4.916 -14.618 -12.669 1.000 2 B 94.108 1 ATOM 2494 N NE2 . GLN 127 676 ? B 5.969 -16.068 -11.310 1.000 2 B 94.108 1 ATOM 2495 N N . GLU 128 677 ? B 2.759 -14.815 -7.120 1.000 2 B 90.301 1 ATOM 2496 C CA . GLU 128 677 ? B 3.172 -15.247 -5.788 1.000 2 B 90.301 1 ATOM 2497 C C . GLU 128 677 ? B 4.453 -16.074 -5.848 1.000 2 B 90.301 1 ATOM 2498 O O . GLU 128 677 ? B 5.292 -15.995 -4.949 1.000 2 B 90.301 1 ATOM 2499 C CB . GLU 128 677 ? B 2.057 -16.051 -5.113 1.000 2 B 90.301 1 ATOM 2500 C CG . GLU 128 677 ? B 2.371 -16.455 -3.680 1.000 2 B 90.301 1 ATOM 2501 C CD . GLU 128 677 ? B 1.158 -16.974 -2.924 1.000 2 B 90.301 1 ATOM 2502 O OE1 . GLU 128 677 ? B 1.275 -17.255 -1.709 1.000 2 B 90.301 1 ATOM 2503 O OE2 . GLU 128 677 ? B 0.083 -17.102 -3.551 1.000 2 B 90.301 1 ATOM 2504 N N . TYR 129 678 ? B 4.659 -16.755 -6.942 1.000 2 B 92.294 1 ATOM 2505 C CA . TYR 129 678 ? B 5.824 -17.620 -7.086 1.000 2 B 92.294 1 ATOM 2506 C C . TYR 129 678 ? B 6.976 -16.876 -7.751 1.000 2 B 92.294 1 ATOM 2507 O O . TYR 129 678 ? B 6.760 -16.067 -8.657 1.000 2 B 92.294 1 ATOM 2508 C CB . TYR 129 678 ? B 5.470 -18.869 -7.899 1.000 2 B 92.294 1 ATOM 2509 C CG . TYR 129 678 ? B 4.435 -19.748 -7.241 1.000 2 B 92.294 1 ATOM 2510 C CD1 . TYR 129 678 ? B 4.791 -20.646 -6.238 1.000 2 B 92.294 1 ATOM 2511 C CD2 . TYR 129 678 ? B 3.099 -19.683 -7.622 1.000 2 B 92.294 1 ATOM 2512 C CE1 . TYR 129 678 ? B 3.841 -21.460 -5.630 1.000 2 B 92.294 1 ATOM 2513 C CE2 . TYR 129 678 ? B 2.140 -20.492 -7.021 1.000 2 B 92.294 1 ATOM 2514 C CZ . TYR 129 678 ? B 2.520 -21.376 -6.027 1.000 2 B 92.294 1 ATOM 2515 O OH . TYR 129 678 ? B 1.575 -22.179 -5.429 1.000 2 B 92.294 1 ATOM 2516 N N . PHE 130 679 ? B 8.161 -17.117 -7.215 1.000 2 B 94.487 1 ATOM 2517 C CA . PHE 130 679 ? B 9.402 -16.591 -7.770 1.000 2 B 94.487 1 ATOM 2518 C C . PHE 130 679 ? B 10.109 -17.647 -8.611 1.000 2 B 94.487 1 ATOM 2519 O O . PHE 130 679 ? B 10.620 -18.634 -8.078 1.000 2 B 94.487 1 ATOM 2520 C CB . PHE 130 679 ? B 10.329 -16.104 -6.652 1.000 2 B 94.487 1 ATOM 2521 C CG . PHE 130 679 ? B 11.470 -15.252 -7.137 1.000 2 B 94.487 1 ATOM 2522 C CD1 . PHE 130 679 ? B 12.786 -15.618 -6.884 1.000 2 B 94.487 1 ATOM 2523 C CD2 . PHE 130 679 ? B 11.226 -14.083 -7.847 1.000 2 B 94.487 1 ATOM 2524 C CE1 . PHE 130 679 ? B 13.844 -14.830 -7.331 1.000 2 B 94.487 1 ATOM 2525 C CE2 . PHE 130 679 ? B 12.278 -13.291 -8.298 1.000 2 B 94.487 1 ATOM 2526 C CZ . PHE 130 679 ? B 13.587 -13.666 -8.038 1.000 2 B 94.487 1 ATOM 2527 N N . VAL 131 680 ? B 9.984 -17.358 -9.951 1.000 2 B 94.608 1 ATOM 2528 C CA . VAL 131 680 ? B 10.450 -18.418 -10.838 1.000 2 B 94.608 1 ATOM 2529 C C . VAL 131 680 ? B 11.477 -17.857 -11.819 1.000 2 B 94.608 1 ATOM 2530 O O . VAL 131 680 ? B 11.364 -16.711 -12.259 1.000 2 B 94.608 1 ATOM 2531 C CB . VAL 131 680 ? B 9.279 -19.070 -11.608 1.000 2 B 94.608 1 ATOM 2532 C CG1 . VAL 131 680 ? B 8.329 -19.780 -10.645 1.000 2 B 94.608 1 ATOM 2533 C CG2 . VAL 131 680 ? B 8.529 -18.021 -12.426 1.000 2 B 94.608 1 ATOM 2534 N N . ARG 132 681 ? B 12.460 -18.643 -12.161 1.000 2 B 93.218 1 ATOM 2535 C CA . ARG 132 681 ? B 13.542 -18.260 -13.063 1.000 2 B 93.218 1 ATOM 2536 C C . ARG 132 681 ? B 13.100 -18.357 -14.519 1.000 2 B 93.218 1 ATOM 2537 O O . ARG 132 681 ? B 13.359 -17.451 -15.314 1.000 2 B 93.218 1 ATOM 2538 C CB . ARG 132 681 ? B 14.773 -19.138 -12.829 1.000 2 B 93.218 1 ATOM 2539 C CG . ARG 132 681 ? B 15.962 -18.778 -13.705 1.000 2 B 93.218 1 ATOM 2540 C CD . ARG 132 681 ? B 17.156 -19.682 -13.435 1.000 2 B 93.218 1 ATOM 2541 N NE . ARG 132 681 ? B 18.276 -19.375 -14.321 1.000 2 B 93.218 1 ATOM 2542 C CZ . ARG 132 681 ? B 19.413 -20.064 -14.372 1.000 2 B 93.218 1 ATOM 2543 N NH1 . ARG 132 681 ? B 19.603 -21.117 -13.587 1.000 2 B 93.218 1 ATOM 2544 N NH2 . ARG 132 681 ? B 20.367 -19.696 -15.215 1.000 2 B 93.218 1 ATOM 2545 N N . LYS 133 682 ? B 12.447 -19.484 -14.839 1.000 2 B 91.501 1 ATOM 2546 C CA . LYS 133 682 ? B 12.010 -19.731 -16.210 1.000 2 B 91.501 1 ATOM 2547 C C . LYS 133 682 ? B 10.489 -19.821 -16.295 1.000 2 B 91.501 1 ATOM 2548 O O . LYS 133 682 ? B 9.838 -20.308 -15.368 1.000 2 B 91.501 1 ATOM 2549 C CB . LYS 133 682 ? B 12.642 -21.014 -16.752 1.000 2 B 91.501 1 ATOM 2550 C CG . LYS 133 682 ? B 14.155 -20.946 -16.895 1.000 2 B 91.501 1 ATOM 2551 C CD . LYS 133 682 ? B 14.721 -22.240 -17.466 1.000 2 B 91.501 1 ATOM 2552 C CE . LYS 133 682 ? B 16.238 -22.183 -17.585 1.000 2 B 91.501 1 ATOM 2553 N NZ . LYS 133 682 ? B 16.803 -23.467 -18.098 1.000 2 B 91.501 1 ATOM 2554 N N . SER 134 683 ? B 10.018 -19.205 -17.374 1.000 2 B 91.680 1 ATOM 2555 C CA . SER 134 683 ? B 8.576 -19.247 -17.599 1.000 2 B 91.680 1 ATOM 2556 C C . SER 134 683 ? B 8.084 -20.680 -17.771 1.000 2 B 91.680 1 ATOM 2557 O O . SER 134 683 ? B 8.808 -21.531 -18.292 1.000 2 B 91.680 1 ATOM 2558 C CB . SER 134 683 ? B 8.201 -18.419 -18.829 1.000 2 B 91.680 1 ATOM 2559 O OG . SER 134 683 ? B 8.767 -18.977 -20.002 1.000 2 B 91.680 1 ATOM 2560 N N . ASN 135 684 ? B 7.076 -20.982 -17.110 1.000 2 B 89.195 1 ATOM 2561 C CA . ASN 135 684 ? B 6.393 -22.264 -17.242 1.000 2 B 89.195 1 ATOM 2562 C C . ASN 135 684 ? B 4.966 -22.089 -17.755 1.000 2 B 89.195 1 ATOM 2563 O O . ASN 135 684 ? B 4.061 -21.763 -16.986 1.000 2 B 89.195 1 ATOM 2564 C CB . ASN 135 684 ? B 6.388 -23.010 -15.906 1.000 2 B 89.195 1 ATOM 2565 C CG . ASN 135 684 ? B 5.946 -24.453 -16.044 1.000 2 B 89.195 1 ATOM 2566 O OD1 . ASN 135 684 ? B 5.146 -24.789 -16.921 1.000 2 B 89.195 1 ATOM 2567 N ND2 . ASN 135 684 ? B 6.464 -25.318 -15.180 1.000 2 B 89.195 1 ATOM 2568 N N . ALA 136 685 ? B 4.756 -22.319 -19.071 1.000 2 B 89.262 1 ATOM 2569 C CA . ALA 136 685 ? B 3.460 -22.094 -19.705 1.000 2 B 89.262 1 ATOM 2570 C C . ALA 136 685 ? B 2.429 -23.109 -19.220 1.000 2 B 89.262 1 ATOM 2571 O O . ALA 136 685 ? B 1.236 -22.803 -19.143 1.000 2 B 89.262 1 ATOM 2572 C CB . ALA 136 685 ? B 3.593 -22.160 -21.224 1.000 2 B 89.262 1 ATOM 2573 N N . LYS 137 686 ? B 2.926 -24.280 -18.812 1.000 2 B 91.422 1 ATOM 2574 C CA . LYS 137 686 ? B 2.023 -25.339 -18.370 1.000 2 B 91.422 1 ATOM 2575 C C . LYS 137 686 ? B 1.357 -24.976 -17.046 1.000 2 B 91.422 1 ATOM 2576 O O . LYS 137 686 ? B 0.168 -25.238 -16.852 1.000 2 B 91.422 1 ATOM 2577 C CB . LYS 137 686 ? B 2.776 -26.663 -18.232 1.000 2 B 91.422 1 ATOM 2578 C CG . LYS 137 686 ? B 3.217 -27.266 -19.558 1.000 2 B 91.422 1 ATOM 2579 C CD . LYS 137 686 ? B 3.886 -28.620 -19.362 1.000 2 B 91.422 1 ATOM 2580 C CE . LYS 137 686 ? B 4.384 -29.196 -20.681 1.000 2 B 91.422 1 ATOM 2581 N NZ . LYS 137 686 ? B 5.055 -30.516 -20.491 1.000 2 B 91.422 1 ATOM 2582 N N . LYS 138 687 ? B 2.151 -24.201 -16.213 1.000 2 B 88.937 1 ATOM 2583 C CA . LYS 138 687 ? B 1.640 -23.818 -14.900 1.000 2 B 88.937 1 ATOM 2584 C C . LYS 138 687 ? B 1.156 -22.371 -14.899 1.000 2 B 88.937 1 ATOM 2585 O O . LYS 138 687 ? B 0.709 -21.861 -13.870 1.000 2 B 88.937 1 ATOM 2586 C CB . LYS 138 687 ? B 2.713 -24.012 -13.829 1.000 2 B 88.937 1 ATOM 2587 C CG . LYS 138 687 ? B 3.052 -25.469 -13.548 1.000 2 B 88.937 1 ATOM 2588 C CD . LYS 138 687 ? B 4.039 -25.602 -12.396 1.000 2 B 88.937 1 ATOM 2589 C CE . LYS 138 687 ? B 4.378 -27.059 -12.113 1.000 2 B 88.937 1 ATOM 2590 N NZ . LYS 138 687 ? B 5.375 -27.192 -11.009 1.000 2 B 88.937 1 ATOM 2591 N N . GLY 139 688 ? B 1.237 -21.751 -16.055 1.000 2 B 88.637 1 ATOM 2592 C CA . GLY 139 688 ? B 0.816 -20.363 -16.167 1.000 2 B 88.637 1 ATOM 2593 C C . GLY 139 688 ? B 1.720 -19.403 -15.417 1.000 2 B 88.637 1 ATOM 2594 O O . GLY 139 688 ? B 1.250 -18.413 -14.852 1.000 2 B 88.637 1 ATOM 2595 N N . MET 140 689 ? B 2.981 -19.728 -15.314 1.000 2 B 92.431 1 ATOM 2596 C CA . MET 140 689 ? B 3.934 -18.904 -14.575 1.000 2 B 92.431 1 ATOM 2597 C C . MET 140 689 ? B 4.880 -18.179 -15.527 1.000 2 B 92.431 1 ATOM 2598 O O . MET 140 689 ? B 5.323 -18.752 -16.524 1.000 2 B 92.431 1 ATOM 2599 C CB . MET 140 689 ? B 4.736 -19.760 -13.592 1.000 2 B 92.431 1 ATOM 2600 C CG . MET 140 689 ? B 3.890 -20.393 -12.500 1.000 2 B 92.431 1 ATOM 2601 S SD . MET 140 689 ? B 4.891 -21.379 -11.319 1.000 2 B 92.431 1 ATOM 2602 C CE . MET 140 689 ? B 3.583 -21.977 -10.212 1.000 2 B 92.431 1 ATOM 2603 N N . PHE 141 690 ? B 5.109 -16.939 -15.203 1.000 2 B 93.600 1 ATOM 2604 C CA . PHE 141 690 ? B 6.045 -16.131 -15.976 1.000 2 B 93.600 1 ATOM 2605 C C . PHE 141 690 ? B 7.385 -16.019 -15.258 1.000 2 B 93.600 1 ATOM 2606 O O . PHE 141 690 ? B 7.454 -16.165 -14.036 1.000 2 B 93.600 1 ATOM 2607 C CB . PHE 141 690 ? B 5.468 -14.735 -16.232 1.000 2 B 93.600 1 ATOM 2608 C CG . PHE 141 690 ? B 4.188 -14.743 -17.022 1.000 2 B 93.600 1 ATOM 2609 C CD1 . PHE 141 690 ? B 4.209 -14.872 -18.405 1.000 2 B 93.600 1 ATOM 2610 C CD2 . PHE 141 690 ? B 2.962 -14.621 -16.381 1.000 2 B 93.600 1 ATOM 2611 C CE1 . PHE 141 690 ? B 3.025 -14.880 -19.139 1.000 2 B 93.600 1 ATOM 2612 C CE2 . PHE 141 690 ? B 1.775 -14.628 -17.107 1.000 2 B 93.600 1 ATOM 2613 C CZ . PHE 141 690 ? B 1.808 -14.756 -18.486 1.000 2 B 93.600 1 ATOM 2614 N N . ALA 142 691 ? B 8.396 -15.894 -16.044 1.000 2 B 95.185 1 ATOM 2615 C CA . ALA 142 691 ? B 9.716 -15.660 -15.464 1.000 2 B 95.185 1 ATOM 2616 C C . ALA 142 691 ? B 9.744 -14.356 -14.672 1.000 2 B 95.185 1 ATOM 2617 O O . ALA 142 691 ? B 9.405 -13.294 -15.201 1.000 2 B 95.185 1 ATOM 2618 C CB . ALA 142 691 ? B 10.782 -15.638 -16.557 1.000 2 B 95.185 1 ATOM 2619 N N . SER 143 692 ? B 10.203 -14.464 -13.404 1.000 2 B 96.266 1 ATOM 2620 C CA . SER 143 692 ? B 10.251 -13.297 -12.529 1.000 2 B 96.266 1 ATOM 2621 C C . SER 143 692 ? B 11.373 -12.348 -12.935 1.000 2 B 96.266 1 ATOM 2622 O O . SER 143 692 ? B 12.481 -12.786 -13.250 1.000 2 B 96.266 1 ATOM 2623 C CB . SER 143 692 ? B 10.437 -13.726 -11.073 1.000 2 B 96.266 1 ATOM 2624 O OG . SER 143 692 ? B 9.341 -14.510 -10.635 1.000 2 B 96.266 1 ATOM 2625 N N . THR 144 693 ? B 11.000 -11.055 -12.910 1.000 2 B 97.155 1 ATOM 2626 C CA . THR 144 693 ? B 11.993 -10.048 -13.266 1.000 2 B 97.155 1 ATOM 2627 C C . THR 144 693 ? B 12.499 -9.324 -12.022 1.000 2 B 97.155 1 ATOM 2628 O O . THR 144 693 ? B 13.651 -8.888 -11.977 1.000 2 B 97.155 1 ATOM 2629 C CB . THR 144 693 ? B 11.416 -9.023 -14.261 1.000 2 B 97.155 1 ATOM 2630 O OG1 . THR 144 693 ? B 10.262 -8.401 -13.682 1.000 2 B 97.155 1 ATOM 2631 C CG2 . THR 144 693 ? B 11.016 -9.693 -15.571 1.000 2 B 97.155 1 ATOM 2632 N N . HIS 145 694 ? B 11.609 -9.098 -11.042 1.000 2 B 97.467 1 ATOM 2633 C CA . HIS 145 694 ? B 11.955 -8.339 -9.845 1.000 2 B 97.467 1 ATOM 2634 C C . HIS 145 694 ? B 11.418 -9.016 -8.589 1.000 2 B 97.467 1 ATOM 2635 O O . HIS 145 694 ? B 10.333 -9.602 -8.609 1.000 2 B 97.467 1 ATOM 2636 C CB . HIS 145 694 ? B 11.415 -6.910 -9.943 1.000 2 B 97.467 1 ATOM 2637 C CG . HIS 145 694 ? B 12.084 -6.088 -10.998 1.000 2 B 97.467 1 ATOM 2638 N ND1 . HIS 145 694 ? B 11.871 -6.289 -12.345 1.000 2 B 97.467 1 ATOM 2639 C CD2 . HIS 145 694 ? B 12.959 -5.059 -10.902 1.000 2 B 97.467 1 ATOM 2640 C CE1 . HIS 145 694 ? B 12.590 -5.417 -13.033 1.000 2 B 97.467 1 ATOM 2641 N NE2 . HIS 145 694 ? B 13.259 -4.660 -12.181 1.000 2 B 97.467 1 ATOM 2642 N N . LEU 146 695 ? B 12.206 -9.012 -7.625 1.000 2 B 97.532 1 ATOM 2643 C CA . LEU 146 695 ? B 11.771 -9.406 -6.289 1.000 2 B 97.532 1 ATOM 2644 C C . LEU 146 695 ? B 11.701 -8.197 -5.362 1.000 2 B 97.532 1 ATOM 2645 O O . LEU 146 695 ? B 12.686 -7.471 -5.207 1.000 2 B 97.532 1 ATOM 2646 C CB . LEU 146 695 ? B 12.717 -10.458 -5.705 1.000 2 B 97.532 1 ATOM 2647 C CG . LEU 146 695 ? B 12.404 -10.940 -4.287 1.000 2 B 97.532 1 ATOM 2648 C CD1 . LEU 146 695 ? B 11.122 -11.766 -4.279 1.000 2 B 97.532 1 ATOM 2649 C CD2 . LEU 146 695 ? B 13.570 -11.747 -3.727 1.000 2 B 97.532 1 ATOM 2650 N N . ILE 147 696 ? B 10.534 -7.968 -4.798 1.000 2 B 97.305 1 ATOM 2651 C CA . ILE 147 696 ? B 10.373 -6.891 -3.827 1.000 2 B 97.305 1 ATOM 2652 C C . ILE 147 696 ? B 10.276 -7.475 -2.420 1.000 2 B 97.305 1 ATOM 2653 O O . ILE 147 696 ? B 9.450 -8.353 -2.161 1.000 2 B 97.305 1 ATOM 2654 C CB . ILE 147 696 ? B 9.127 -6.032 -4.138 1.000 2 B 97.305 1 ATOM 2655 C CG1 . ILE 147 696 ? B 9.256 -5.387 -5.524 1.000 2 B 97.305 1 ATOM 2656 C CG2 . ILE 147 696 ? B 8.921 -4.968 -3.056 1.000 2 B 97.305 1 ATOM 2657 C CD1 . ILE 147 696 ? B 8.052 -4.548 -5.930 1.000 2 B 97.305 1 ATOM 2658 N N . LEU 148 697 ? B 11.087 -6.944 -1.467 1.000 2 B 95.350 1 ATOM 2659 C CA . LEU 148 697 ? B 11.080 -7.485 -0.112 1.000 2 B 95.350 1 ATOM 2660 C C . LEU 148 697 ? B 11.494 -6.423 0.900 1.000 2 B 95.350 1 ATOM 2661 O O . LEU 148 697 ? B 11.979 -5.354 0.522 1.000 2 B 95.350 1 ATOM 2662 C CB . LEU 148 697 ? B 12.015 -8.693 -0.013 1.000 2 B 95.350 1 ATOM 2663 C CG . LEU 148 697 ? B 13.508 -8.412 -0.190 1.000 2 B 95.350 1 ATOM 2664 C CD1 . LEU 148 697 ? B 14.328 -9.636 0.201 1.000 2 B 95.350 1 ATOM 2665 C CD2 . LEU 148 697 ? B 13.807 -7.999 -1.627 1.000 2 B 95.350 1 ATOM 2666 N N . LYS 149 698 ? B 11.313 -6.644 2.183 1.000 2 B 92.869 1 ATOM 2667 C CA . LYS 149 698 ? B 11.580 -5.692 3.257 1.000 2 B 92.869 1 ATOM 2668 C C . LYS 149 698 ? B 12.997 -5.857 3.798 1.000 2 B 92.869 1 ATOM 2669 O O . LYS 149 698 ? B 13.699 -4.870 4.026 1.000 2 B 92.869 1 ATOM 2670 C CB . LYS 149 698 ? B 10.564 -5.859 4.388 1.000 2 B 92.869 1 ATOM 2671 C CG . LYS 149 698 ? B 9.156 -5.410 4.027 1.000 2 B 92.869 1 ATOM 2672 C CD . LYS 149 698 ? B 8.211 -5.525 5.216 1.000 2 B 92.869 1 ATOM 2673 C CE . LYS 149 698 ? B 6.818 -5.013 4.875 1.000 2 B 92.869 1 ATOM 2674 N NZ . LYS 149 698 ? B 5.907 -5.056 6.058 1.000 2 B 92.869 1 ATOM 2675 N N . GLU 150 699 ? B 13.376 -7.038 4.071 1.000 2 B 90.486 1 ATOM 2676 C CA . GLU 150 699 ? B 14.678 -7.327 4.664 1.000 2 B 90.486 1 ATOM 2677 C C . GLU 150 699 ? B 15.425 -8.390 3.863 1.000 2 B 90.486 1 ATOM 2678 O O . GLU 150 699 ? B 14.820 -9.119 3.074 1.000 2 B 90.486 1 ATOM 2679 C CB . GLU 150 699 ? B 14.519 -7.779 6.118 1.000 2 B 90.486 1 ATOM 2680 C CG . GLU 150 699 ? B 13.859 -6.743 7.015 1.000 2 B 90.486 1 ATOM 2681 C CD . GLU 150 699 ? B 13.607 -7.246 8.428 1.000 2 B 90.486 1 ATOM 2682 O OE1 . GLU 150 699 ? B 13.062 -6.481 9.256 1.000 2 B 90.486 1 ATOM 2683 O OE2 . GLU 150 699 ? B 13.959 -8.413 8.709 1.000 2 B 90.486 1 ATOM 2684 N N . ARG 151 700 ? B 16.823 -8.343 4.198 1.000 2 B 89.167 1 ATOM 2685 C CA . ARG 151 700 ? B 17.673 -9.346 3.563 1.000 2 B 89.167 1 ATOM 2686 C C . ARG 151 700 ? B 17.413 -10.731 4.144 1.000 2 B 89.167 1 ATOM 2687 O O . ARG 151 700 ? B 17.104 -10.865 5.330 1.000 2 B 89.167 1 ATOM 2688 C CB . ARG 151 700 ? B 19.150 -8.979 3.724 1.000 2 B 89.167 1 ATOM 2689 C CG . ARG 151 700 ? B 19.501 -7.595 3.203 1.000 2 B 89.167 1 ATOM 2690 C CD . ARG 151 700 ? B 20.983 -7.289 3.369 1.000 2 B 89.167 1 ATOM 2691 N NE . ARG 151 700 ? B 21.327 -5.978 2.825 1.000 2 B 89.167 1 ATOM 2692 C CZ . ARG 151 700 ? B 22.532 -5.419 2.900 1.000 2 B 89.167 1 ATOM 2693 N NH1 . ARG 151 700 ? B 23.536 -6.049 3.499 1.000 2 B 89.167 1 ATOM 2694 N NH2 . ARG 151 700 ? B 22.735 -4.221 2.371 1.000 2 B 89.167 1 ATOM 2695 N N . GLY 152 701 ? B 16.901 -11.624 3.312 1.000 2 B 89.847 1 ATOM 2696 C CA . GLY 152 701 ? B 16.704 -12.980 3.800 1.000 2 B 89.847 1 ATOM 2697 C C . GLY 152 701 ? B 15.571 -13.707 3.100 1.000 2 B 89.847 1 ATOM 2698 O O . GLY 152 701 ? B 14.889 -13.132 2.250 1.000 2 B 89.847 1 ATOM 2699 N N . GLY 153 702 ? B 15.601 -15.028 3.261 1.000 2 B 91.918 1 ATOM 2700 C CA . GLY 153 702 ? B 14.567 -15.868 2.678 1.000 2 B 91.918 1 ATOM 2701 C C . GLY 153 702 ? B 15.023 -16.592 1.425 1.000 2 B 91.918 1 ATOM 2702 O O . GLY 153 702 ? B 16.049 -16.243 0.838 1.000 2 B 91.918 1 ATOM 2703 N N . SER 154 703 ? B 14.397 -17.652 1.147 1.000 2 B 94.406 1 ATOM 2704 C CA . SER 154 703 ? B 14.749 -18.489 0.005 1.000 2 B 94.406 1 ATOM 2705 C C . SER 154 703 ? B 14.603 -17.724 -1.307 1.000 2 B 94.406 1 ATOM 2706 O O . SER 154 703 ? B 15.412 -17.890 -2.222 1.000 2 B 94.406 1 ATOM 2707 C CB . SER 154 703 ? B 13.879 -19.746 -0.028 1.000 2 B 94.406 1 ATOM 2708 O OG . SER 154 703 ? B 12.504 -19.404 -0.068 1.000 2 B 94.406 1 ATOM 2709 N N . LYS 155 704 ? B 13.630 -16.817 -1.388 1.000 2 B 94.909 1 ATOM 2710 C CA . LYS 155 704 ? B 13.449 -16.043 -2.612 1.000 2 B 94.909 1 ATOM 2711 C C . LYS 155 704 ? B 14.599 -15.061 -2.818 1.000 2 B 94.909 1 ATOM 2712 O O . LYS 155 704 ? B 15.055 -14.858 -3.945 1.000 2 B 94.909 1 ATOM 2713 C CB . LYS 155 704 ? B 12.118 -15.290 -2.579 1.000 2 B 94.909 1 ATOM 2714 C CG . LYS 155 704 ? B 10.898 -16.183 -2.746 1.000 2 B 94.909 1 ATOM 2715 C CD . LYS 155 704 ? B 9.609 -15.371 -2.766 1.000 2 B 94.909 1 ATOM 2716 C CE . LYS 155 704 ? B 8.384 -16.267 -2.897 1.000 2 B 94.909 1 ATOM 2717 N NZ . LYS 155 704 ? B 7.115 -15.483 -2.834 1.000 2 B 94.909 1 ATOM 2718 N N . TYR 156 705 ? B 15.046 -14.494 -1.687 1.000 2 B 95.598 1 ATOM 2719 C CA . TYR 156 705 ? B 16.165 -13.562 -1.763 1.000 2 B 95.598 1 ATOM 2720 C C . TYR 156 705 ? B 17.433 -14.269 -2.228 1.000 2 B 95.598 1 ATOM 2721 O O . TYR 156 705 ? B 18.148 -13.766 -3.098 1.000 2 B 95.598 1 ATOM 2722 C CB . TYR 156 705 ? B 16.406 -12.898 -0.404 1.000 2 B 95.598 1 ATOM 2723 C CG . TYR 156 705 ? B 17.604 -11.981 -0.380 1.000 2 B 95.598 1 ATOM 2724 C CD1 . TYR 156 705 ? B 18.757 -12.328 0.321 1.000 2 B 95.598 1 ATOM 2725 C CD2 . TYR 156 705 ? B 17.586 -10.767 -1.057 1.000 2 B 95.598 1 ATOM 2726 C CE1 . TYR 156 705 ? B 19.863 -11.485 0.348 1.000 2 B 95.598 1 ATOM 2727 C CE2 . TYR 156 705 ? B 18.687 -9.916 -1.037 1.000 2 B 95.598 1 ATOM 2728 C CZ . TYR 156 705 ? B 19.819 -10.283 -0.334 1.000 2 B 95.598 1 ATOM 2729 O OH . TYR 156 705 ? B 20.911 -9.445 -0.311 1.000 2 B 95.598 1 ATOM 2730 N N . GLU 157 706 ? B 17.711 -15.472 -1.686 1.000 2 B 95.271 1 ATOM 2731 C CA . GLU 157 706 ? B 18.879 -16.251 -2.086 1.000 2 B 95.271 1 ATOM 2732 C C . GLU 157 706 ? B 18.798 -16.651 -3.557 1.000 2 B 95.271 1 ATOM 2733 O O . GLU 157 706 ? B 19.802 -16.616 -4.271 1.000 2 B 95.271 1 ATOM 2734 C CB . GLU 157 706 ? B 19.021 -17.497 -1.209 1.000 2 B 95.271 1 ATOM 2735 C CG . GLU 157 706 ? B 19.302 -17.189 0.255 1.000 2 B 95.271 1 ATOM 2736 C CD . GLU 157 706 ? B 20.555 -16.354 0.463 1.000 2 B 95.271 1 ATOM 2737 O OE1 . GLU 157 706 ? B 20.609 -15.574 1.441 1.000 2 B 95.271 1 ATOM 2738 O OE2 . GLU 157 706 ? B 21.490 -16.479 -0.360 1.000 2 B 95.271 1 ATOM 2739 N N . ALA 158 707 ? B 17.628 -16.932 -3.978 1.000 2 B 95.709 1 ATOM 2740 C CA . ALA 158 707 ? B 17.403 -17.292 -5.376 1.000 2 B 95.709 1 ATOM 2741 C C . ALA 158 707 ? B 17.637 -16.096 -6.294 1.000 2 B 95.709 1 ATOM 2742 O O . ALA 158 707 ? B 18.241 -16.233 -7.360 1.000 2 B 95.709 1 ATOM 2743 C CB . ALA 158 707 ? B 15.989 -17.835 -5.565 1.000 2 B 95.709 1 ATOM 2744 N N . ALA 159 708 ? B 17.109 -14.978 -5.856 1.000 2 B 95.726 1 ATOM 2745 C CA . ALA 159 708 ? B 17.306 -13.768 -6.650 1.000 2 B 95.726 1 ATOM 2746 C C . ALA 159 708 ? B 18.791 -13.479 -6.852 1.000 2 B 95.726 1 ATOM 2747 O O . ALA 159 708 ? B 19.213 -13.105 -7.948 1.000 2 B 95.726 1 ATOM 2748 C CB . ALA 159 708 ? B 16.621 -12.577 -5.983 1.000 2 B 95.726 1 ATOM 2749 N N . LYS 160 709 ? B 19.564 -13.681 -5.832 1.000 2 B 94.991 1 ATOM 2750 C CA . LYS 160 709 ? B 21.008 -13.481 -5.901 1.000 2 B 94.991 1 ATOM 2751 C C . LYS 160 709 ? B 21.658 -14.490 -6.844 1.000 2 B 94.991 1 ATOM 2752 O O . LYS 160 709 ? B 22.515 -14.128 -7.654 1.000 2 B 94.991 1 ATOM 2753 C CB . LYS 160 709 ? B 21.633 -13.587 -4.509 1.000 2 B 94.991 1 ATOM 2754 C CG . LYS 160 709 ? B 21.385 -12.374 -3.625 1.000 2 B 94.991 1 ATOM 2755 C CD . LYS 160 709 ? B 22.187 -12.451 -2.333 1.000 2 B 94.991 1 ATOM 2756 C CE . LYS 160 709 ? B 23.686 -12.442 -2.602 1.000 2 B 94.991 1 ATOM 2757 N NZ . LYS 160 709 ? B 24.477 -12.505 -1.337 1.000 2 B 94.991 1 ATOM 2758 N N . LYS 161 710 ? B 21.220 -15.655 -6.636 1.000 2 B 95.603 1 ATOM 2759 C CA . LYS 161 710 ? B 21.758 -16.740 -7.452 1.000 2 B 95.603 1 ATOM 2760 C C . LYS 161 710 ? B 21.453 -16.520 -8.930 1.000 2 B 95.603 1 ATOM 2761 O O . LYS 161 710 ? B 22.308 -16.751 -9.787 1.000 2 B 95.603 1 ATOM 2762 C CB . LYS 161 710 ? B 21.193 -18.086 -6.995 1.000 2 B 95.603 1 ATOM 2763 C CG . LYS 161 710 ? B 21.796 -19.286 -7.711 1.000 2 B 95.603 1 ATOM 2764 C CD . LYS 161 710 ? B 21.229 -20.596 -7.181 1.000 2 B 95.603 1 ATOM 2765 C CE . LYS 161 710 ? B 21.775 -21.793 -7.947 1.000 2 B 95.603 1 ATOM 2766 N NZ . LYS 161 710 ? B 21.212 -23.080 -7.439 1.000 2 B 95.603 1 ATOM 2767 N N . TRP 162 711 ? B 20.286 -15.903 -9.177 1.000 2 B 95.300 1 ATOM 2768 C CA . TRP 162 711 ? B 19.828 -15.719 -10.550 1.000 2 B 95.300 1 ATOM 2769 C C . TRP 162 711 ? B 20.179 -14.324 -11.059 1.000 2 B 95.300 1 ATOM 2770 O O . TRP 162 711 ? B 19.807 -13.952 -12.174 1.000 2 B 95.300 1 ATOM 2771 C CB . TRP 162 711 ? B 18.317 -15.946 -10.648 1.000 2 B 95.300 1 ATOM 2772 C CG . TRP 162 711 ? B 17.877 -17.313 -10.216 1.000 2 B 95.300 1 ATOM 2773 C CD1 . TRP 162 711 ? B 18.626 -18.457 -10.215 1.000 2 B 95.300 1 ATOM 2774 C CD2 . TRP 162 711 ? B 16.584 -17.679 -9.725 1.000 2 B 95.300 1 ATOM 2775 N NE1 . TRP 162 711 ? B 17.875 -19.513 -9.753 1.000 2 B 95.300 1 ATOM 2776 C CE2 . TRP 162 711 ? B 16.620 -19.063 -9.445 1.000 2 B 95.300 1 ATOM 2777 C CE3 . TRP 162 711 ? B 15.398 -16.970 -9.494 1.000 2 B 95.300 1 ATOM 2778 C CZ2 . TRP 162 711 ? B 15.512 -19.752 -8.945 1.000 2 B 95.300 1 ATOM 2779 C CZ3 . TRP 162 711 ? B 14.297 -17.658 -8.996 1.000 2 B 95.300 1 ATOM 2780 C CH2 . TRP 162 711 ? B 14.364 -19.035 -8.728 1.000 2 B 95.300 1 ATOM 2781 N N . ASN 163 712 ? B 20.808 -13.554 -10.275 1.000 2 B 94.780 1 ATOM 2782 C CA . ASN 163 712 ? B 21.195 -12.190 -10.619 1.000 2 B 94.780 1 ATOM 2783 C C . ASN 163 712 ? B 19.985 -11.345 -11.007 1.000 2 B 94.780 1 ATOM 2784 O O . ASN 163 712 ? B 20.017 -10.633 -12.012 1.000 2 B 94.780 1 ATOM 2785 C CB . ASN 163 712 ? B 22.225 -12.194 -11.750 1.000 2 B 94.780 1 ATOM 2786 C CG . ASN 163 712 ? B 23.565 -12.756 -11.319 1.000 2 B 94.780 1 ATOM 2787 O OD1 . ASN 163 712 ? B 24.101 -12.382 -10.272 1.000 2 B 94.780 1 ATOM 2788 N ND2 . ASN 163 712 ? B 24.115 -13.660 -12.121 1.000 2 B 94.780 1 ATOM 2789 N N . LEU 164 713 ? B 18.885 -11.547 -10.317 1.000 2 B 95.852 1 ATOM 2790 C CA . LEU 164 713 ? B 17.690 -10.726 -10.478 1.000 2 B 95.852 1 ATOM 2791 C C . LEU 164 713 ? B 17.633 -9.634 -9.415 1.000 2 B 95.852 1 ATOM 2792 O O . LEU 164 713 ? B 18.093 -9.835 -8.288 1.000 2 B 95.852 1 ATOM 2793 C CB . LEU 164 713 ? B 16.430 -11.593 -10.403 1.000 2 B 95.852 1 ATOM 2794 C CG . LEU 164 713 ? B 16.260 -12.637 -11.508 1.000 2 B 95.852 1 ATOM 2795 C CD1 . LEU 164 713 ? B 14.999 -13.461 -11.268 1.000 2 B 95.852 1 ATOM 2796 C CD2 . LEU 164 713 ? B 16.214 -11.966 -12.876 1.000 2 B 95.852 1 ATOM 2797 N N . PRO 165 714 ? B 17.142 -8.490 -9.753 1.000 2 B 96.294 1 ATOM 2798 C CA . PRO 165 714 ? B 17.094 -7.378 -8.801 1.000 2 B 96.294 1 ATOM 2799 C C . PRO 165 714 ? B 16.172 -7.656 -7.616 1.000 2 B 96.294 1 ATOM 2800 O O . PRO 165 714 ? B 14.995 -7.973 -7.805 1.000 2 B 96.294 1 ATOM 2801 C CB . PRO 165 714 ? B 16.564 -6.215 -9.644 1.000 2 B 96.294 1 ATOM 2802 C CG . PRO 165 714 ? B 15.811 -6.864 -10.760 1.000 2 B 96.294 1 ATOM 2803 C CD . PRO 165 714 ? B 16.426 -8.207 -11.033 1.000 2 B 96.294 1 ATOM 2804 N N . ALA 166 715 ? B 16.741 -7.641 -6.441 1.000 2 B 96.699 1 ATOM 2805 C CA . ALA 166 715 ? B 16.003 -7.643 -5.180 1.000 2 B 96.699 1 ATOM 2806 C C . ALA 166 715 ? B 15.922 -6.239 -4.589 1.000 2 B 96.699 1 ATOM 2807 O O . ALA 166 715 ? B 16.887 -5.753 -3.993 1.000 2 B 96.699 1 ATOM 2808 C CB . ALA 166 715 ? B 16.654 -8.600 -4.184 1.000 2 B 96.699 1 ATOM 2809 N N . VAL 167 716 ? B 14.766 -5.637 -4.723 1.000 2 B 97.152 1 ATOM 2810 C CA . VAL 167 716 ? B 14.628 -4.219 -4.404 1.000 2 B 97.152 1 ATOM 2811 C C . VAL 167 716 ? B 13.633 -4.042 -3.258 1.000 2 B 97.152 1 ATOM 2812 O O . VAL 167 716 ? B 12.886 -4.966 -2.928 1.000 2 B 97.152 1 ATOM 2813 C CB . VAL 167 716 ? B 14.175 -3.402 -5.634 1.000 2 B 97.152 1 ATOM 2814 C CG1 . VAL 167 716 ? B 15.244 -3.430 -6.725 1.000 2 B 97.152 1 ATOM 2815 C CG2 . VAL 167 716 ? B 12.847 -3.935 -6.169 1.000 2 B 97.152 1 ATOM 2816 N N . THR 168 717 ? B 13.682 -2.840 -2.606 1.000 2 B 96.548 1 ATOM 2817 C CA . THR 168 717 ? B 12.803 -2.510 -1.490 1.000 2 B 96.548 1 ATOM 2818 C C . THR 168 717 ? B 11.453 -2.009 -1.994 1.000 2 B 96.548 1 ATOM 2819 O O . THR 168 717 ? B 11.301 -1.703 -3.179 1.000 2 B 96.548 1 ATOM 2820 C CB . THR 168 717 ? B 13.438 -1.447 -0.574 1.000 2 B 96.548 1 ATOM 2821 O OG1 . THR 168 717 ? B 13.590 -0.224 -1.305 1.000 2 B 96.548 1 ATOM 2822 C CG2 . THR 168 717 ? B 14.806 -1.900 -0.073 1.000 2 B 96.548 1 ATOM 2823 N N . ILE 169 718 ? B 10.494 -1.900 -1.067 1.000 2 B 96.753 1 ATOM 2824 C CA . ILE 169 718 ? B 9.162 -1.382 -1.361 1.000 2 B 96.753 1 ATOM 2825 C C . ILE 169 718 ? B 9.266 0.058 -1.856 1.000 2 B 96.753 1 ATOM 2826 O O . ILE 169 718 ? B 8.487 0.484 -2.712 1.000 2 B 96.753 1 ATOM 2827 C CB . ILE 169 718 ? B 8.241 -1.459 -0.123 1.000 2 B 96.753 1 ATOM 2828 C CG1 . ILE 169 718 ? B 7.976 -2.920 0.257 1.000 2 B 96.753 1 ATOM 2829 C CG2 . ILE 169 718 ? B 6.928 -0.713 -0.380 1.000 2 B 96.753 1 ATOM 2830 C CD1 . ILE 169 718 ? B 7.302 -3.096 1.611 1.000 2 B 96.753 1 ATOM 2831 N N . ALA 170 719 ? B 10.268 0.736 -1.479 1.000 2 B 96.714 1 ATOM 2832 C CA . ALA 170 719 ? B 10.514 2.120 -1.877 1.000 2 B 96.714 1 ATOM 2833 C C . ALA 170 719 ? B 10.678 2.235 -3.390 1.000 2 B 96.714 1 ATOM 2834 O O . ALA 170 719 ? B 10.315 3.253 -3.984 1.000 2 B 96.714 1 ATOM 2835 C CB . ALA 170 719 ? B 11.752 2.665 -1.168 1.000 2 B 96.714 1 ATOM 2836 N N . TRP 171 720 ? B 11.246 1.258 -3.998 1.000 2 B 97.942 1 ATOM 2837 C CA . TRP 171 720 ? B 11.410 1.221 -5.448 1.000 2 B 97.942 1 ATOM 2838 C C . TRP 171 720 ? B 10.061 1.321 -6.151 1.000 2 B 97.942 1 ATOM 2839 O O . TRP 171 720 ? B 9.892 2.122 -7.074 1.000 2 B 97.942 1 ATOM 2840 C CB . TRP 171 720 ? B 12.129 -0.061 -5.876 1.000 2 B 97.942 1 ATOM 2841 C CG . TRP 171 720 ? B 12.246 -0.227 -7.362 1.000 2 B 97.942 1 ATOM 2842 C CD1 . TRP 171 720 ? B 13.164 0.361 -8.187 1.000 2 B 97.942 1 ATOM 2843 C CD2 . TRP 171 720 ? B 11.410 -1.032 -8.199 1.000 2 B 97.942 1 ATOM 2844 N NE1 . TRP 171 720 ? B 12.949 -0.031 -9.488 1.000 2 B 97.942 1 ATOM 2845 C CE2 . TRP 171 720 ? B 11.880 -0.885 -9.523 1.000 2 B 97.942 1 ATOM 2846 C CE3 . TRP 171 720 ? B 10.309 -1.864 -7.958 1.000 2 B 97.942 1 ATOM 2847 C CZ2 . TRP 171 720 ? B 11.286 -1.541 -10.604 1.000 2 B 97.942 1 ATOM 2848 C CZ3 . TRP 171 720 ? B 9.719 -2.517 -9.035 1.000 2 B 97.942 1 ATOM 2849 C CH2 . TRP 171 720 ? B 10.211 -2.350 -10.340 1.000 2 B 97.942 1 ATOM 2850 N N . LEU 172 721 ? B 9.138 0.554 -5.698 1.000 2 B 98.049 1 ATOM 2851 C CA . LEU 172 721 ? B 7.797 0.546 -6.270 1.000 2 B 98.049 1 ATOM 2852 C C . LEU 172 721 ? B 7.090 1.873 -6.020 1.000 2 B 98.049 1 ATOM 2853 O O . LEU 172 721 ? B 6.465 2.430 -6.925 1.000 2 B 98.049 1 ATOM 2854 C CB . LEU 172 721 ? B 6.972 -0.604 -5.686 1.000 2 B 98.049 1 ATOM 2855 C CG . LEU 172 721 ? B 5.577 -0.808 -6.280 1.000 2 B 98.049 1 ATOM 2856 C CD1 . LEU 172 721 ? B 5.675 -1.089 -7.776 1.000 2 B 98.049 1 ATOM 2857 C CD2 . LEU 172 721 ? B 4.852 -1.942 -5.564 1.000 2 B 98.049 1 ATOM 2858 N N . LEU 173 722 ? B 7.264 2.398 -4.817 1.000 2 B 98.123 1 ATOM 2859 C CA . LEU 173 722 ? B 6.624 3.658 -4.453 1.000 2 B 98.123 1 ATOM 2860 C C . LEU 173 722 ? B 7.198 4.814 -5.266 1.000 2 B 98.123 1 ATOM 2861 O O . LEU 173 722 ? B 6.457 5.695 -5.707 1.000 2 B 98.123 1 ATOM 2862 C CB . LEU 173 722 ? B 6.797 3.935 -2.958 1.000 2 B 98.123 1 ATOM 2863 C CG . LEU 173 722 ? B 6.111 2.957 -2.003 1.000 2 B 98.123 1 ATOM 2864 C CD1 . LEU 173 722 ? B 6.463 3.292 -0.557 1.000 2 B 98.123 1 ATOM 2865 C CD2 . LEU 173 722 ? B 4.600 2.978 -2.210 1.000 2 B 98.123 1 ATOM 2866 N N . GLU 174 723 ? B 8.510 4.772 -5.472 1.000 2 B 97.902 1 ATOM 2867 C CA . GLU 174 723 ? B 9.157 5.802 -6.280 1.000 2 B 97.902 1 ATOM 2868 C C . GLU 174 723 ? B 8.708 5.724 -7.736 1.000 2 B 97.902 1 ATOM 2869 O O . GLU 174 723 ? B 8.472 6.752 -8.374 1.000 2 B 97.902 1 ATOM 2870 C CB . GLU 174 723 ? B 10.680 5.677 -6.191 1.000 2 B 97.902 1 ATOM 2871 C CG . GLU 174 723 ? B 11.431 6.768 -6.941 1.000 2 B 97.902 1 ATOM 2872 C CD . GLU 174 723 ? B 11.193 8.159 -6.374 1.000 2 B 97.902 1 ATOM 2873 O OE1 . GLU 174 723 ? B 11.528 9.156 -7.052 1.000 2 B 97.902 1 ATOM 2874 O OE2 . GLU 174 723 ? B 10.668 8.251 -5.241 1.000 2 B 97.902 1 ATOM 2875 N N . THR 175 724 ? B 8.609 4.573 -8.227 1.000 2 B 98.205 1 ATOM 2876 C CA . THR 175 724 ? B 8.110 4.366 -9.582 1.000 2 B 98.205 1 ATOM 2877 C C . THR 175 724 ? B 6.687 4.899 -9.722 1.000 2 B 98.205 1 ATOM 2878 O O . THR 175 724 ? B 6.351 5.533 -10.724 1.000 2 B 98.205 1 ATOM 2879 C CB . THR 175 724 ? B 8.144 2.876 -9.969 1.000 2 B 98.205 1 ATOM 2880 O OG1 . THR 175 724 ? B 9.487 2.390 -9.861 1.000 2 B 98.205 1 ATOM 2881 C CG2 . THR 175 724 ? B 7.653 2.667 -11.398 1.000 2 B 98.205 1 ATOM 2882 N N . ALA 176 725 ? B 5.900 4.661 -8.698 1.000 2 B 97.890 1 ATOM 2883 C CA . ALA 176 725 ? B 4.529 5.166 -8.695 1.000 2 B 97.890 1 ATOM 2884 C C . ALA 176 725 ? B 4.507 6.692 -8.666 1.000 2 B 97.890 1 ATOM 2885 O O . ALA 176 725 ? B 3.737 7.322 -9.395 1.000 2 B 97.890 1 ATOM 2886 C CB . ALA 176 725 ? B 3.757 4.604 -7.504 1.000 2 B 97.890 1 ATOM 2887 N N . ARG 177 726 ? B 5.320 7.272 -7.887 1.000 2 B 97.744 1 ATOM 2888 C CA . ARG 177 726 ? B 5.365 8.716 -7.684 1.000 2 B 97.744 1 ATOM 2889 C C . ARG 177 726 ? B 5.804 9.434 -8.955 1.000 2 B 97.744 1 ATOM 2890 O O . ARG 177 726 ? B 5.196 10.430 -9.354 1.000 2 B 97.744 1 ATOM 2891 C CB . ARG 177 726 ? B 6.306 9.069 -6.531 1.000 2 B 97.744 1 ATOM 2892 C CG . ARG 177 726 ? B 6.307 10.545 -6.165 1.000 2 B 97.744 1 ATOM 2893 C CD . ARG 177 726 ? B 7.406 10.879 -5.166 1.000 2 B 97.744 1 ATOM 2894 N NE . ARG 177 726 ? B 8.734 10.666 -5.734 1.000 2 B 97.744 1 ATOM 2895 C CZ . ARG 177 726 ? B 9.318 11.470 -6.618 1.000 2 B 97.744 1 ATOM 2896 N NH1 . ARG 177 726 ? B 8.699 12.562 -7.054 1.000 2 B 97.744 1 ATOM 2897 N NH2 . ARG 177 726 ? B 10.529 11.182 -7.070 1.000 2 B 97.744 1 ATOM 2898 N N . THR 178 727 ? B 6.851 8.868 -9.685 1.000 2 B 97.766 1 ATOM 2899 C CA . THR 178 727 ? B 7.459 9.550 -10.822 1.000 2 B 97.766 1 ATOM 2900 C C . THR 178 727 ? B 6.780 9.141 -12.126 1.000 2 B 97.766 1 ATOM 2901 O O . THR 178 727 ? B 6.842 9.867 -13.119 1.000 2 B 97.766 1 ATOM 2902 C CB . THR 178 727 ? B 8.967 9.254 -10.910 1.000 2 B 97.766 1 ATOM 2903 O OG1 . THR 178 727 ? B 9.162 7.844 -11.075 1.000 2 B 97.766 1 ATOM 2904 C CG2 . THR 178 727 ? B 9.693 9.711 -9.649 1.000 2 B 97.766 1 ATOM 2905 N N . GLY 179 728 ? B 6.095 8.020 -12.132 1.000 2 B 97.421 1 ATOM 2906 C CA . GLY 179 728 ? B 5.480 7.495 -13.340 1.000 2 B 97.421 1 ATOM 2907 C C . GLY 179 728 ? B 6.483 6.902 -14.312 1.000 2 B 97.421 1 ATOM 2908 O O . GLY 179 728 ? B 6.149 6.627 -15.466 1.000 2 B 97.421 1 ATOM 2909 N N . LYS 180 729 ? B 7.788 6.858 -13.853 1.000 2 B 97.811 1 ATOM 2910 C CA . LYS 180 729 ? B 8.884 6.230 -14.587 1.000 2 B 97.811 1 ATOM 2911 C C . LYS 180 729 ? B 9.529 5.117 -13.766 1.000 2 B 97.811 1 ATOM 2912 O O . LYS 180 729 ? B 9.500 5.151 -12.534 1.000 2 B 97.811 1 ATOM 2913 C CB . LYS 180 729 ? B 9.935 7.271 -14.976 1.000 2 B 97.811 1 ATOM 2914 C CG . LYS 180 729 ? B 9.401 8.389 -15.860 1.000 2 B 97.811 1 ATOM 2915 C CD . LYS 180 729 ? B 10.487 9.402 -16.197 1.000 2 B 97.811 1 ATOM 2916 C CE . LYS 180 729 ? B 9.946 10.540 -17.053 1.000 2 B 97.811 1 ATOM 2917 N NZ . LYS 180 729 ? B 10.999 11.556 -17.353 1.000 2 B 97.811 1 ATOM 2918 N N . ARG 181 730 ? B 10.020 4.099 -14.493 1.000 2 B 97.879 1 ATOM 2919 C CA . ARG 181 730 ? B 10.702 3.011 -13.799 1.000 2 B 97.879 1 ATOM 2920 C C . ARG 181 730 ? B 11.930 3.521 -13.054 1.000 2 B 97.879 1 ATOM 2921 O O . ARG 181 730 ? B 12.867 4.035 -13.668 1.000 2 B 97.879 1 ATOM 2922 C CB . ARG 181 730 ? B 11.106 1.913 -14.786 1.000 2 B 97.879 1 ATOM 2923 C CG . ARG 181 730 ? B 11.755 0.704 -14.131 1.000 2 B 97.879 1 ATOM 2924 C CD . ARG 181 730 ? B 12.036 -0.401 -15.140 1.000 2 B 97.879 1 ATOM 2925 N NE . ARG 181 730 ? B 12.762 -1.513 -14.532 1.000 2 B 97.879 1 ATOM 2926 C CZ . ARG 181 730 ? B 13.051 -2.656 -15.148 1.000 2 B 97.879 1 ATOM 2927 N NH1 . ARG 181 730 ? B 12.679 -2.861 -16.407 1.000 2 B 97.879 1 ATOM 2928 N NH2 . ARG 181 730 ? B 13.716 -3.601 -14.501 1.000 2 B 97.879 1 ATOM 2929 N N . ALA 182 731 ? B 11.832 3.398 -11.692 1.000 2 B 97.515 1 ATOM 2930 C CA . ALA 182 731 ? B 12.934 3.854 -10.849 1.000 2 B 97.515 1 ATOM 2931 C C . ALA 182 731 ? B 14.182 3.005 -11.071 1.000 2 B 97.515 1 ATOM 2932 O O . ALA 182 731 ? B 14.085 1.834 -11.447 1.000 2 B 97.515 1 ATOM 2933 C CB . ALA 182 731 ? B 12.527 3.821 -9.377 1.000 2 B 97.515 1 ATOM 2934 N N . ASP 183 732 ? B 15.282 3.648 -10.915 1.000 2 B 96.591 1 ATOM 2935 C CA . ASP 183 732 ? B 16.547 2.928 -11.030 1.000 2 B 96.591 1 ATOM 2936 C C . ASP 183 732 ? B 16.706 1.915 -9.899 1.000 2 B 96.591 1 ATOM 2937 O O . ASP 183 732 ? B 16.793 2.292 -8.728 1.000 2 B 96.591 1 ATOM 2938 C CB . ASP 183 732 ? B 17.723 3.905 -11.031 1.000 2 B 96.591 1 ATOM 2939 C CG . ASP 183 732 ? B 19.050 3.236 -11.343 1.000 2 B 96.591 1 ATOM 2940 O OD1 . ASP 183 732 ? B 19.078 2.003 -11.549 1.000 2 B 96.591 1 ATOM 2941 O OD2 . ASP 183 732 ? B 20.078 3.947 -11.381 1.000 2 B 96.591 1 ATOM 2942 N N . GLU 184 733 ? B 16.825 0.638 -10.216 1.000 2 B 95.776 1 ATOM 2943 C CA . GLU 184 733 ? B 16.894 -0.458 -9.254 1.000 2 B 95.776 1 ATOM 2944 C C . GLU 184 733 ? B 18.125 -0.332 -8.361 1.000 2 B 95.776 1 ATOM 2945 O O . GLU 184 733 ? B 18.089 -0.710 -7.188 1.000 2 B 95.776 1 ATOM 2946 C CB . GLU 184 733 ? B 16.903 -1.808 -9.976 1.000 2 B 95.776 1 ATOM 2947 C CG . GLU 184 733 ? B 15.592 -2.141 -10.673 1.000 2 B 95.776 1 ATOM 2948 C CD . GLU 184 733 ? B 15.499 -1.570 -12.079 1.000 2 B 95.776 1 ATOM 2949 O OE1 . GLU 184 733 ? B 14.561 -1.940 -12.823 1.000 2 B 95.776 1 ATOM 2950 O OE2 . GLU 184 733 ? B 16.370 -0.748 -12.440 1.000 2 B 95.776 1 ATOM 2951 N N . SER 185 734 ? B 19.157 0.157 -8.886 1.000 2 B 94.011 1 ATOM 2952 C CA . SER 185 734 ? B 20.438 0.229 -8.189 1.000 2 B 94.011 1 ATOM 2953 C C . SER 185 734 ? B 20.329 1.062 -6.917 1.000 2 B 94.011 1 ATOM 2954 O O . SER 185 734 ? B 21.062 0.831 -5.953 1.000 2 B 94.011 1 ATOM 2955 C CB . SER 185 734 ? B 21.514 0.816 -9.104 1.000 2 B 94.011 1 ATOM 2956 O OG . SER 185 734 ? B 21.177 2.137 -9.493 1.000 2 B 94.011 1 ATOM 2957 N N . HIS 186 735 ? B 19.387 2.019 -6.904 1.000 2 B 93.604 1 ATOM 2958 C CA . HIS 186 735 ? B 19.235 2.904 -5.754 1.000 2 B 93.604 1 ATOM 2959 C C . HIS 186 735 ? B 18.405 2.246 -4.657 1.000 2 B 93.604 1 ATOM 2960 O O . HIS 186 735 ? B 18.370 2.731 -3.524 1.000 2 B 93.604 1 ATOM 2961 C CB . HIS 186 735 ? B 18.593 4.226 -6.178 1.000 2 B 93.604 1 ATOM 2962 C CG . HIS 186 735 ? B 19.452 5.048 -7.084 1.000 2 B 93.604 1 ATOM 2963 N ND1 . HIS 186 735 ? B 18.996 6.187 -7.712 1.000 2 B 93.604 1 ATOM 2964 C CD2 . HIS 186 735 ? B 20.742 4.896 -7.465 1.000 2 B 93.604 1 ATOM 2965 C CE1 . HIS 186 735 ? B 19.971 6.700 -8.443 1.000 2 B 93.604 1 ATOM 2966 N NE2 . HIS 186 735 ? B 21.042 5.936 -8.310 1.000 2 B 93.604 1 ATOM 2967 N N . PHE 187 736 ? B 17.820 1.170 -5.045 1.000 2 B 94.855 1 ATOM 2968 C CA . PHE 187 736 ? B 16.886 0.599 -4.082 1.000 2 B 94.855 1 ATOM 2969 C C . PHE 187 736 ? B 17.209 -0.867 -3.818 1.000 2 B 94.855 1 ATOM 2970 O O . PHE 187 736 ? B 16.359 -1.619 -3.336 1.000 2 B 94.855 1 ATOM 2971 C CB . PHE 187 736 ? B 15.445 0.737 -4.581 1.000 2 B 94.855 1 ATOM 2972 C CG . PHE 187 736 ? B 15.002 2.163 -4.769 1.000 2 B 94.855 1 ATOM 2973 C CD1 . PHE 187 736 ? B 14.459 2.883 -3.712 1.000 2 B 94.855 1 ATOM 2974 C CD2 . PHE 187 736 ? B 15.129 2.785 -6.005 1.000 2 B 94.855 1 ATOM 2975 C CE1 . PHE 187 736 ? B 14.049 4.203 -3.883 1.000 2 B 94.855 1 ATOM 2976 C CE2 . PHE 187 736 ? B 14.721 4.104 -6.184 1.000 2 B 94.855 1 ATOM 2977 C CZ . PHE 187 736 ? B 14.180 4.810 -5.122 1.000 2 B 94.855 1 ATOM 2978 N N . LEU 188 737 ? B 18.339 -1.258 -4.257 1.000 2 B 94.377 1 ATOM 2979 C CA . LEU 188 737 ? B 18.732 -2.638 -3.994 1.000 2 B 94.377 1 ATOM 2980 C C . LEU 188 737 ? B 18.860 -2.890 -2.495 1.000 2 B 94.377 1 ATOM 2981 O O . LEU 188 737 ? B 19.343 -2.029 -1.755 1.000 2 B 94.377 1 ATOM 2982 C CB . LEU 188 737 ? B 20.056 -2.961 -4.692 1.000 2 B 94.377 1 ATOM 2983 C CG . LEU 188 737 ? B 19.996 -3.134 -6.211 1.000 2 B 94.377 1 ATOM 2984 C CD1 . LEU 188 737 ? B 21.405 -3.211 -6.791 1.000 2 B 94.377 1 ATOM 2985 C CD2 . LEU 188 737 ? B 19.193 -4.377 -6.577 1.000 2 B 94.377 1 ATOM 2986 N N . ILE 189 738 ? B 18.356 -3.927 -1.980 1.000 2 B 89.077 1 ATOM 2987 C CA . ILE 189 738 ? B 18.351 -4.276 -0.563 1.000 2 B 89.077 1 ATOM 2988 C C . ILE 189 738 ? B 19.787 -4.405 -0.059 1.000 2 B 89.077 1 ATOM 2989 O O . ILE 189 738 ? B 20.078 -4.082 1.095 1.000 2 B 89.077 1 ATOM 2990 C CB . ILE 189 738 ? B 17.573 -5.586 -0.306 1.000 2 B 89.077 1 ATOM 2991 C CG1 . ILE 189 738 ? B 16.071 -5.364 -0.519 1.000 2 B 89.077 1 ATOM 2992 C CG2 . ILE 189 738 ? B 17.855 -6.113 1.104 1.000 2 B 89.077 1 ATOM 2993 C CD1 . ILE 189 738 ? B 15.190 -6.403 0.162 1.000 2 B 89.077 1 ATOM 2994 N N . GLU 190 739 ? B 20.715 -4.725 -1.015 1.000 2 B 79.393 1 ATOM 2995 C CA . GLU 190 739 ? B 22.109 -4.886 -0.613 1.000 2 B 79.393 1 ATOM 2996 C C . GLU 190 739 ? B 22.714 -3.555 -0.176 1.000 2 B 79.393 1 ATOM 2997 O O . GLU 190 739 ? B 23.543 -3.513 0.735 1.000 2 B 79.393 1 ATOM 2998 C CB . GLU 190 739 ? B 22.932 -5.488 -1.755 1.000 2 B 79.393 1 ATOM 2999 C CG . GLU 190 739 ? B 22.706 -6.980 -1.955 1.000 2 B 79.393 1 ATOM 3000 C CD . GLU 190 739 ? B 23.433 -7.539 -3.168 1.000 2 B 79.393 1 ATOM 3001 O OE1 . GLU 190 739 ? B 23.179 -8.707 -3.542 1.000 2 B 79.393 1 ATOM 3002 O OE2 . GLU 190 739 ? B 24.263 -6.804 -3.747 1.000 2 B 79.393 1 ATOM 3003 N N . ASN 191 740 ? B 22.205 -2.454 -0.794 1.000 2 B 61.215 1 ATOM 3004 C CA . ASN 191 740 ? B 22.822 -1.145 -0.604 1.000 2 B 61.215 1 ATOM 3005 C C . ASN 191 740 ? B 22.297 -0.455 0.652 1.000 2 B 61.215 1 ATOM 3006 O O . ASN 191 740 ? B 22.810 0.592 1.050 1.000 2 B 61.215 1 ATOM 3007 C CB . ASN 191 740 ? B 22.593 -0.260 -1.831 1.000 2 B 61.215 1 ATOM 3008 C CG . ASN 191 740 ? B 23.241 -0.818 -3.082 1.000 2 B 61.215 1 ATOM 3009 O OD1 . ASN 191 740 ? B 24.222 -1.563 -3.009 1.000 2 B 61.215 1 ATOM 3010 N ND2 . ASN 191 740 ? B 22.698 -0.463 -4.241 1.000 2 B 61.215 1 ATOM 3011 N N . SER 192 741 ? B 21.303 -1.035 1.418 1.000 2 B 54.500 1 ATOM 3012 C CA . SER 192 741 ? B 20.674 -0.334 2.532 1.000 2 B 54.500 1 ATOM 3013 C C . SER 192 741 ? B 21.491 -0.483 3.811 1.000 2 B 54.500 1 ATOM 3014 O O . SER 192 741 ? B 21.177 0.136 4.830 1.000 2 B 54.500 1 ATOM 3015 C CB . SER 192 741 ? B 19.254 -0.853 2.760 1.000 2 B 54.500 1 ATOM 3016 O OG . SER 192 741 ? B 19.269 -2.233 3.085 1.000 2 B 54.500 1 ATOM 3017 N N . THR 193 742 ? B 22.844 -0.794 3.754 1.000 2 B 48.296 1 ATOM 3018 C CA . THR 193 742 ? B 23.702 -0.804 4.934 1.000 2 B 48.296 1 ATOM 3019 C C . THR 193 742 ? B 24.713 0.337 4.877 1.000 2 B 48.296 1 ATOM 3020 O O . THR 193 742 ? B 25.565 0.463 5.759 1.000 2 B 48.296 1 ATOM 3021 C CB . THR 193 742 ? B 24.446 -2.146 5.071 1.000 2 B 48.296 1 ATOM 3022 O OG1 . THR 193 742 ? B 24.031 -3.025 4.019 1.000 2 B 48.296 1 ATOM 3023 C CG2 . THR 193 742 ? B 24.149 -2.804 6.415 1.000 2 B 48.296 1 ATOM 3024 N N . LYS 194 743 ? B 24.621 1.304 3.907 1.000 2 B 42.033 1 ATOM 3025 C CA . LYS 194 743 ? B 25.668 2.275 4.212 1.000 2 B 42.033 1 ATOM 3026 C C . LYS 194 743 ? B 25.146 3.376 5.130 1.000 2 B 42.033 1 ATOM 3027 O O . LYS 194 743 ? B 24.099 3.970 4.863 1.000 2 B 42.033 1 ATOM 3028 C CB . LYS 194 743 ? B 26.226 2.886 2.926 1.000 2 B 42.033 1 ATOM 3029 C CG . LYS 194 743 ? B 27.302 2.043 2.256 1.000 2 B 42.033 1 ATOM 3030 C CD . LYS 194 743 ? B 27.922 2.769 1.069 1.000 2 B 42.033 1 ATOM 3031 C CE . LYS 194 743 ? B 28.937 1.895 0.346 1.000 2 B 42.033 1 ATOM 3032 N NZ . LYS 194 743 ? B 29.575 2.615 -0.796 1.000 2 B 42.033 1 ATOM 3033 N N . GLU 195 744 ? B 24.906 3.123 6.444 1.000 2 B 32.559 1 ATOM 3034 C CA . GLU 195 744 ? B 24.927 3.965 7.636 1.000 2 B 32.559 1 ATOM 3035 C C . GLU 195 744 ? B 24.937 5.446 7.266 1.000 2 B 32.559 1 ATOM 3036 O O . GLU 195 744 ? B 25.726 5.875 6.422 1.000 2 B 32.559 1 ATOM 3037 C CB . GLU 195 744 ? B 26.141 3.634 8.508 1.000 2 B 32.559 1 ATOM 3038 C CG . GLU 195 744 ? B 25.797 3.374 9.968 1.000 2 B 32.559 1 ATOM 3039 C CD . GLU 195 744 ? B 26.984 2.894 10.787 1.000 2 B 32.559 1 ATOM 3040 O OE1 . GLU 195 744 ? B 26.810 2.598 11.992 1.000 2 B 32.559 1 ATOM 3041 O OE2 . GLU 195 744 ? B 28.097 2.813 10.221 1.000 2 B 32.559 1 loop_ _atom_type.symbol C N O S loop_ _ma_entry_associated_files.id _ma_entry_associated_files.entry_id _ma_entry_associated_files.file_url _ma_entry_associated_files.file_type _ma_entry_associated_files.file_format _ma_entry_associated_files.file_content _ma_entry_associated_files.details 1 ma-t3vr3-543 https://modelarchive.org/api/projects/ma-t3vr3-543?type=materials_procedures__accompanying_data_file_name archive zip 'archive with multiple files' . loop_ _ma_associated_archive_file_details.id _ma_associated_archive_file_details.archive_file_id _ma_associated_archive_file_details.file_path _ma_associated_archive_file_details.file_format _ma_associated_archive_file_details.file_content _ma_associated_archive_file_details.description _ma_associated_archive_file_details.data_id 1 1 ma-t3vr3-543_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 P38398-D7_Q92547-D5.i95.fas fasta 'multiple sequence alignments' 'Paired MSAs' 4 loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.description _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.type_other_details _ma_qa_metric.software_group_id 1 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT global . . 2 pLDDT 'Predicted accuracy according to the CA-only lDDT in [0,100]' pLDDT local . . 3 PAE 'Predicted aligned error (in Angstroms)' PAE local-pairwise . . 4 'contact probability' 'Contact probability of a pairwise interaction in [0,1]' 'contact probability' local-pairwise . . loop_ _ma_qa_metric_global.ordinal_id _ma_qa_metric_global.model_id _ma_qa_metric_global.metric_id _ma_qa_metric_global.metric_value 1 1 1 63.575 loop_ _ma_qa_metric_local.ordinal_id _ma_qa_metric_local.model_id _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value 1 1 A 1 ASN 2 31.458 2 1 A 2 GLN 2 30.322 3 1 A 3 GLY 2 35.484 4 1 A 4 LYS 2 35.097 5 1 A 5 ASN 2 38.094 6 1 A 6 GLU 2 31.885 7 1 A 7 SER 2 39.703 8 1 A 8 ASN 2 29.526 9 1 A 9 ILE 2 36.217 10 1 A 10 LYS 2 33.553 11 1 A 11 PRO 2 34.847 12 1 A 12 VAL 2 34.518 13 1 A 13 GLN 2 28.302 14 1 A 14 THR 2 23.632 15 1 A 15 VAL 2 32.662 16 1 A 16 ASN 2 25.979 17 1 A 17 ILE 2 34.257 18 1 A 18 THR 2 24.700 19 1 A 19 ALA 2 27.293 20 1 A 20 GLY 2 25.762 21 1 A 21 PHE 2 24.963 22 1 A 22 PRO 2 36.180 23 1 A 23 VAL 2 23.964 24 1 A 24 VAL 2 24.394 25 1 A 25 GLY 2 31.051 26 1 A 26 GLN 2 29.167 27 1 A 27 LYS 2 24.678 28 1 A 28 ASP 2 32.778 29 1 A 29 LYS 2 33.173 30 1 A 30 PRO 2 44.780 31 1 A 31 VAL 2 36.852 32 1 A 32 ASP 2 28.133 33 1 A 33 ASN 2 31.960 34 1 A 34 ALA 2 33.840 35 1 A 35 LYS 2 28.929 36 1 A 36 CYS 2 36.052 37 1 A 37 SER 2 27.726 38 1 A 38 ILE 2 33.660 39 1 A 39 LYS 2 29.587 40 1 A 40 GLY 2 32.260 41 1 A 41 GLY 2 32.691 42 1 A 42 SER 2 30.672 43 1 A 43 ARG 2 32.256 44 1 A 44 PHE 2 27.094 45 1 A 45 CYS 2 34.385 46 1 A 46 LEU 2 24.506 47 1 A 47 SER 2 27.010 48 1 A 48 SER 2 34.934 49 1 A 49 GLN 2 28.908 50 1 A 50 PHE 2 31.093 51 1 A 51 ARG 2 27.072 52 1 A 52 GLY 2 33.089 53 1 A 53 ASN 2 26.585 54 1 A 54 GLU 2 32.410 55 1 A 55 THR 2 26.699 56 1 A 56 GLY 2 31.976 57 1 A 57 LEU 2 23.743 58 1 A 58 ILE 2 26.815 59 1 A 59 THR 2 30.671 60 1 A 60 PRO 2 30.056 61 1 A 61 ASN 2 31.580 62 1 A 62 LYS 2 31.406 63 1 A 63 HIS 2 30.953 64 1 A 64 GLY 2 31.184 65 1 A 65 LEU 2 28.546 66 1 A 66 LEU 2 33.632 67 1 A 67 GLN 2 43.338 68 1 A 68 ASN 2 50.080 69 1 A 69 PRO 2 58.375 70 1 A 70 TYR 2 54.789 71 1 A 71 ARG 2 48.710 72 1 A 72 ILE 2 47.691 73 1 A 73 PRO 2 41.171 74 1 A 74 PRO 2 30.627 75 1 A 75 LEU 2 35.100 76 1 A 76 PHE 2 27.101 77 1 A 77 PRO 2 31.761 78 1 A 78 ILE 2 32.771 79 1 A 79 LYS 2 27.580 80 1 A 80 SER 2 29.827 81 1 A 81 PHE 2 27.990 82 1 A 82 VAL 2 26.938 83 1 A 83 LYS 2 25.672 84 1 A 84 THR 2 25.966 85 1 A 85 LYS 2 24.229 86 1 A 86 CYS 2 27.640 87 1 A 87 LYS 2 26.579 88 1 A 88 LYS 2 37.085 89 1 A 89 ASN 2 25.204 90 1 A 90 LEU 2 27.975 91 1 A 91 LEU 2 27.014 92 1 A 92 GLU 2 27.794 93 1 A 93 GLU 2 30.389 94 1 A 94 ASN 2 26.989 95 1 A 95 PHE 2 29.496 96 1 A 96 GLU 2 27.971 97 1 A 97 GLU 2 25.383 98 1 A 98 HIS 2 28.942 99 1 A 99 SER 2 23.895 100 1 A 100 MET 2 25.017 101 1 A 101 SER 2 25.571 102 1 A 102 PRO 2 31.393 103 1 A 103 GLU 2 23.273 104 1 A 104 ARG 2 33.347 105 1 A 105 GLU 2 24.510 106 1 A 106 MET 2 28.950 107 1 A 107 GLY 2 25.774 108 1 A 108 ASN 2 27.853 109 1 A 109 GLU 2 33.406 110 1 A 110 ASN 2 27.517 111 1 A 111 ILE 2 39.143 112 1 A 112 PRO 2 33.473 113 1 A 113 SER 2 29.011 114 1 A 114 THR 2 31.218 115 1 A 115 VAL 2 27.081 116 1 A 116 SER 2 30.620 117 1 A 117 THR 2 26.174 118 1 A 118 ILE 2 36.194 119 1 A 119 SER 2 28.888 120 1 A 120 ARG 2 26.688 121 1 A 121 ASN 2 31.725 122 1 A 122 ASN 2 27.248 123 1 A 123 ILE 2 37.239 124 1 A 124 ARG 2 28.884 125 1 A 125 GLU 2 26.314 126 1 A 126 ASN 2 30.582 127 1 A 127 VAL 2 29.002 128 1 A 128 PHE 2 31.467 129 1 A 129 LYS 2 26.690 130 1 A 130 GLU 2 25.676 131 1 A 131 ALA 2 28.557 132 1 A 132 SER 2 27.233 133 1 A 133 SER 2 29.893 134 1 A 134 SER 2 25.608 135 1 A 135 ASN 2 31.865 136 1 A 136 ILE 2 27.401 137 1 A 137 ASN 2 26.204 138 1 A 138 GLU 2 30.231 139 1 A 139 VAL 2 25.744 140 1 A 140 GLY 2 27.358 141 1 A 141 SER 2 31.744 142 1 A 142 SER 2 30.294 143 1 A 143 THR 2 33.778 144 1 A 144 ASN 2 29.499 145 1 A 145 GLU 2 42.253 146 1 A 146 VAL 2 34.134 147 1 A 147 GLY 2 35.503 148 1 A 148 SER 2 44.256 149 1 A 149 SER 2 49.143 150 1 A 150 ILE 2 53.615 151 1 A 151 ASN 2 67.407 152 1 A 152 GLU 2 74.742 153 1 A 153 ILE 2 79.857 154 1 A 154 GLY 2 60.889 155 1 A 155 SER 2 50.869 156 1 A 156 SER 2 46.329 157 1 A 157 ASP 2 37.471 158 1 A 158 GLU 2 40.751 159 1 A 159 ASN 2 30.787 160 1 A 160 ILE 2 38.605 161 1 A 161 GLN 2 32.147 162 1 A 162 ALA 2 38.928 163 1 A 163 GLU 2 33.920 164 1 A 164 LEU 2 35.949 165 1 A 165 GLY 2 32.788 166 1 A 166 ARG 2 37.620 167 1 A 167 ASN 2 37.742 168 1 A 168 ARG 2 46.030 169 1 A 169 GLY 2 47.990 170 1 A 170 PRO 2 52.721 171 1 A 171 LYS 2 54.798 172 1 A 172 LEU 2 52.929 173 1 A 173 ASN 2 56.071 174 1 A 174 ALA 2 61.409 175 1 A 175 MET 2 64.873 176 1 A 176 LEU 2 63.827 177 1 A 177 ARG 2 63.512 178 1 A 178 LEU 2 59.576 179 1 A 179 GLY 2 55.096 180 1 A 180 VAL 2 51.272 181 1 A 181 LEU 2 43.313 182 1 A 182 GLN 2 44.086 183 1 A 183 PRO 2 45.863 184 1 A 184 GLU 2 43.747 185 1 A 185 VAL 2 35.462 186 1 A 186 TYR 2 30.761 187 1 A 187 LYS 2 30.971 188 1 A 188 GLN 2 30.292 189 1 A 189 SER 2 30.277 190 1 A 190 LEU 2 29.581 191 1 A 191 PRO 2 35.762 192 1 A 192 GLY 2 30.599 193 1 A 193 SER 2 30.634 194 1 A 194 ASN 2 29.258 195 1 A 195 CYS 2 32.910 196 1 A 196 LYS 2 32.580 197 1 A 197 HIS 2 32.768 198 1 A 198 PRO 2 39.037 199 1 A 199 GLU 2 27.856 200 1 A 200 ILE 2 33.038 201 1 B 1 GLU 2 75.117 202 1 B 2 GLY 2 89.743 203 1 B 3 LEU 2 95.245 204 1 B 4 PHE 2 97.088 205 1 B 5 SER 2 96.304 206 1 B 6 GLN 2 95.173 207 1 B 7 LYS 2 96.710 208 1 B 8 SER 2 96.802 209 1 B 9 PHE 2 97.253 210 1 B 10 LEU 2 95.941 211 1 B 11 VAL 2 95.746 212 1 B 12 LEU 2 94.823 213 1 B 13 GLY 2 93.484 214 1 B 14 PHE 2 93.804 215 1 B 15 SER 2 92.258 216 1 B 16 ASN 2 91.421 217 1 B 17 GLU 2 91.388 218 1 B 18 ASN 2 91.541 219 1 B 19 GLU 2 93.133 220 1 B 20 SER 2 93.508 221 1 B 21 ASN 2 93.844 222 1 B 22 ILE 2 95.385 223 1 B 23 ALA 2 95.692 224 1 B 24 ASN 2 95.549 225 1 B 25 ILE 2 94.743 226 1 B 26 ILE 2 96.629 227 1 B 27 LYS 2 96.387 228 1 B 28 GLU 2 95.204 229 1 B 29 ASN 2 95.952 230 1 B 30 ALA 2 96.643 231 1 B 31 GLY 2 97.061 232 1 B 32 LYS 2 96.617 233 1 B 33 ILE 2 95.970 234 1 B 34 MET 2 93.969 235 1 B 35 SER 2 88.948 236 1 B 36 LEU 2 83.535 237 1 B 37 LEU 2 81.068 238 1 B 38 SER 2 81.632 239 1 B 39 ARG 2 83.107 240 1 B 40 THR 2 87.471 241 1 B 41 VAL 2 92.202 242 1 B 42 ALA 2 95.263 243 1 B 43 ASP 2 96.769 244 1 B 44 TYR 2 97.407 245 1 B 45 ALA 2 97.148 246 1 B 46 VAL 2 97.575 247 1 B 47 VAL 2 97.058 248 1 B 48 PRO 2 96.452 249 1 B 49 LEU 2 96.362 250 1 B 50 LEU 2 95.417 251 1 B 51 GLY 2 94.730 252 1 B 52 CYS 2 93.816 253 1 B 53 GLU 2 90.799 254 1 B 54 VAL 2 89.445 255 1 B 55 GLU 2 87.811 256 1 B 56 ALA 2 86.729 257 1 B 57 THR 2 90.528 258 1 B 58 VAL 2 93.910 259 1 B 59 GLY 2 94.891 260 1 B 60 GLU 2 97.029 261 1 B 61 VAL 2 97.589 262 1 B 62 VAL 2 98.073 263 1 B 63 THR 2 97.664 264 1 B 64 ASN 2 95.570 265 1 B 65 THR 2 96.322 266 1 B 66 TRP 2 97.783 267 1 B 67 LEU 2 97.088 268 1 B 68 VAL 2 95.994 269 1 B 69 THR 2 95.733 270 1 B 70 CYS 2 96.391 271 1 B 71 ILE 2 95.120 272 1 B 72 ASP 2 92.035 273 1 B 73 TYR 2 93.472 274 1 B 74 GLN 2 93.895 275 1 B 75 THR 2 95.561 276 1 B 76 LEU 2 95.580 277 1 B 77 PHE 2 96.729 278 1 B 78 ASP 2 96.778 279 1 B 79 PRO 2 96.565 280 1 B 80 LYS 2 95.648 281 1 B 81 SER 2 95.956 282 1 B 82 ASN 2 95.578 283 1 B 83 PRO 2 96.371 284 1 B 84 LEU 2 97.322 285 1 B 85 PHE 2 97.988 286 1 B 86 THR 2 97.141 287 1 B 87 PRO 2 97.307 288 1 B 88 VAL 2 97.217 289 1 B 89 PRO 2 96.385 290 1 B 90 VAL 2 96.620 291 1 B 91 MET 2 96.261 292 1 B 92 THR 2 91.866 293 1 B 93 GLY 2 93.427 294 1 B 94 MET 2 96.647 295 1 B 95 THR 2 97.969 296 1 B 96 PRO 2 98.061 297 1 B 97 LEU 2 98.315 298 1 B 98 GLU 2 97.694 299 1 B 99 ASP 2 96.546 300 1 B 100 CYS 2 97.727 301 1 B 101 VAL 2 97.783 302 1 B 102 ILE 2 97.910 303 1 B 103 SER 2 96.957 304 1 B 104 PHE 2 96.565 305 1 B 105 SER 2 95.106 306 1 B 106 GLN 2 92.491 307 1 B 107 CYS 2 91.871 308 1 B 108 ALA 2 91.552 309 1 B 109 GLY 2 91.958 310 1 B 110 ALA 2 93.345 311 1 B 111 GLU 2 93.551 312 1 B 112 LYS 2 95.261 313 1 B 113 GLU 2 94.883 314 1 B 114 SER 2 96.334 315 1 B 115 LEU 2 96.994 316 1 B 116 THR 2 97.154 317 1 B 117 PHE 2 96.635 318 1 B 118 LEU 2 97.151 319 1 B 119 ALA 2 97.856 320 1 B 120 ASN 2 97.294 321 1 B 121 LEU 2 96.552 322 1 B 122 LEU 2 97.958 323 1 B 123 GLY 2 97.695 324 1 B 124 ALA 2 98.002 325 1 B 125 SER 2 96.888 326 1 B 126 VAL 2 96.515 327 1 B 127 GLN 2 94.108 328 1 B 128 GLU 2 90.301 329 1 B 129 TYR 2 92.294 330 1 B 130 PHE 2 94.487 331 1 B 131 VAL 2 94.608 332 1 B 132 ARG 2 93.218 333 1 B 133 LYS 2 91.501 334 1 B 134 SER 2 91.680 335 1 B 135 ASN 2 89.195 336 1 B 136 ALA 2 89.262 337 1 B 137 LYS 2 91.422 338 1 B 138 LYS 2 88.937 339 1 B 139 GLY 2 88.637 340 1 B 140 MET 2 92.431 341 1 B 141 PHE 2 93.600 342 1 B 142 ALA 2 95.185 343 1 B 143 SER 2 96.266 344 1 B 144 THR 2 97.155 345 1 B 145 HIS 2 97.467 346 1 B 146 LEU 2 97.532 347 1 B 147 ILE 2 97.305 348 1 B 148 LEU 2 95.350 349 1 B 149 LYS 2 92.869 350 1 B 150 GLU 2 90.486 351 1 B 151 ARG 2 89.167 352 1 B 152 GLY 2 89.847 353 1 B 153 GLY 2 91.918 354 1 B 154 SER 2 94.406 355 1 B 155 LYS 2 94.909 356 1 B 156 TYR 2 95.598 357 1 B 157 GLU 2 95.271 358 1 B 158 ALA 2 95.709 359 1 B 159 ALA 2 95.726 360 1 B 160 LYS 2 94.991 361 1 B 161 LYS 2 95.603 362 1 B 162 TRP 2 95.300 363 1 B 163 ASN 2 94.780 364 1 B 164 LEU 2 95.852 365 1 B 165 PRO 2 96.294 366 1 B 166 ALA 2 96.699 367 1 B 167 VAL 2 97.152 368 1 B 168 THR 2 96.548 369 1 B 169 ILE 2 96.753 370 1 B 170 ALA 2 96.714 371 1 B 171 TRP 2 97.942 372 1 B 172 LEU 2 98.049 373 1 B 173 LEU 2 98.123 374 1 B 174 GLU 2 97.902 375 1 B 175 THR 2 98.205 376 1 B 176 ALA 2 97.890 377 1 B 177 ARG 2 97.744 378 1 B 178 THR 2 97.766 379 1 B 179 GLY 2 97.421 380 1 B 180 LYS 2 97.811 381 1 B 181 ARG 2 97.879 382 1 B 182 ALA 2 97.515 383 1 B 183 ASP 2 96.591 384 1 B 184 GLU 2 95.776 385 1 B 185 SER 2 94.011 386 1 B 186 HIS 2 93.604 387 1 B 187 PHE 2 94.855 388 1 B 188 LEU 2 94.377 389 1 B 189 ILE 2 89.077 390 1 B 190 GLU 2 79.393 391 1 B 191 ASN 2 61.215 392 1 B 192 SER 2 54.500 393 1 B 193 THR 2 48.296 394 1 B 194 LYS 2 42.033 395 1 B 195 GLU 2 32.559 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-543 _database_2.pdbx_DOI 10.5452/ma-t3vr3-543 _pdbx_database_status.entry_id ma-t3vr3-543 _pdbx_database_status.date_coordinates 2022-09-28:22:27 _pdbx_database_status.status_code REL loop_ _pdbx_contact_author.id _pdbx_contact_author.name_salutation _pdbx_contact_author.name_first _pdbx_contact_author.name_last _pdbx_contact_author.name_mi _pdbx_contact_author.email _pdbx_contact_author.address_1 _pdbx_contact_author.address_2 _pdbx_contact_author.address_3 5 Prof. Qian Cong . Qian.Cong@UTSouthwestern.edu 'University of Texas Southwestern Medical Center' . . loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2022-12-21 2 'Structure model' 1 1 2023-07-19 3 'Structure model' 1 2 2023-07-25 loop_ _pdbx_audit_revision_details.ordinal _pdbx_audit_revision_details.revision_ordinal _pdbx_audit_revision_details.data_content_type _pdbx_audit_revision_details.provider _pdbx_audit_revision_details.type _pdbx_audit_revision_details.description 1 1 'Structure model' repository 'Initial release' ? 2 3 'Structure model' repository Remediation 'Format compliance remediation' loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Other 2 3 'Structure model' Other 3 3 'Structure model' 'Version format compliance' loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' exptl 2 3 'Structure model' ma_data 3 3 'Structure model' ma_associated_archive_file_details 4 3 'Structure model' audit_conform loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_exptl.entry_id' 2 2 'Structure model' '_exptl.method' 3 3 'Structure model' '_ma_data.content_type' 4 3 'Structure model' '_ma_data.content_type_other_details' 5 3 'Structure model' '_ma_associated_archive_file_details.data_id' 6 3 'Structure model' '_audit_conform.dict_location' 7 3 'Structure model' '_audit_conform.dict_version'