data_ma-t3vr3-001 _entry.id ma-t3vr3-001 _entry.ma_collection_id ma-t3vr3 _struct.entry_id ma-t3vr3-001 _struct.pdbx_model_details ;Predicted interaction between CCR4-NOT transcription complex subunit 1 (residue 830 - 1006) and CCR4-NOT transcription complex subunit 3 (residue 399 - 598). 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 CNOT1 (830-1006) and CNOT3 (399-598)' _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) CNOT1 (A5YKK6; 830 - 1006)' 24369.172 1 . 2 polymer nat 'Homo sapiens (Human) CNOT3 (O75175; 399 - 598)' 22468.667 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 . CNOT1_HUMAN A5YKK6 . 830 1006 9606 'Homo sapiens (Human)' 2008-01-15 937A0899537BA615 2 UNP . CNOT3_HUMAN O75175 . 399 598 9606 'Homo sapiens (Human)' 1998-11-01 C9D4F8B9FEF6CD90 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 ;SQVWPEANQHFSKEIDDEANSYFQRIYNHPPHPTMSVDEVLEMLQRFKDSTIKREREVFNCMLRNLFEEY RFFPQYPDKELHITACLFGGIIEKGLVTYMALGLALRYVLEALRKPFGSKMYYFGIAALDRFKNRLKDYP QYCQHLASISHFMQFPHHLQEYIEYGQQSRDPPVKMQ ; ;SQVWPEANQHFSKEIDDEANSYFQRIYNHPPHPTMSVDEVLEMLQRFKDSTIKREREVFNCMLRNLFEEY RFFPQYPDKELHITACLFGGIIEKGLVTYMALGLALRYVLEALRKPFGSKMYYFGIAALDRFKNRLKDYP QYCQHLASISHFMQFPHHLQEYIEYGQQSRDPPVKMQ ; 2 polypeptide(L) no no B ;GGGGSGGGGSSSSSNSSAGGGAGKQNGATSYSSVVADSPAEVALSSSGGNNASSQALGPPSGPHNPPPST SKEPSAAAPTGAGGVAPGSGNNSGGPSLLVPLPVNPPSSPTPSFSDAKAAGALLNGPPQFSTAPEIKAPE PLSSLKSMAERAAISSGIEDPVPTLHLTERDIILSSTSAPPASAQPPLQLSEVNIPLSLG ; ;GGGGSGGGGSSSSSNSSAGGGAGKQNGATSYSSVVADSPAEVALSSSGGNNASSQALGPPSGPHNPPPST SKEPSAAAPTGAGGVAPGSGNNSGGPSLLVPLPVNPPSSPTPSFSDAKAAGALLNGPPQFSTAPEIKAPE PLSSLKSMAERAAISSGIEDPVPTLHLTERDIILSSTSAPPASAQPPLQLSEVNIPLSLG ; loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER . 1 2 GLN . 1 3 VAL . 1 4 TRP . 1 5 PRO . 1 6 GLU . 1 7 ALA . 1 8 ASN . 1 9 GLN . 1 10 HIS . 1 11 PHE . 1 12 SER . 1 13 LYS . 1 14 GLU . 1 15 ILE . 1 16 ASP . 1 17 ASP . 1 18 GLU . 1 19 ALA . 1 20 ASN . 1 21 SER . 1 22 TYR . 1 23 PHE . 1 24 GLN . 1 25 ARG . 1 26 ILE . 1 27 TYR . 1 28 ASN . 1 29 HIS . 1 30 PRO . 1 31 PRO . 1 32 HIS . 1 33 PRO . 1 34 THR . 1 35 MET . 1 36 SER . 1 37 VAL . 1 38 ASP . 1 39 GLU . 1 40 VAL . 1 41 LEU . 1 42 GLU . 1 43 MET . 1 44 LEU . 1 45 GLN . 1 46 ARG . 1 47 PHE . 1 48 LYS . 1 49 ASP . 1 50 SER . 1 51 THR . 1 52 ILE . 1 53 LYS . 1 54 ARG . 1 55 GLU . 1 56 ARG . 1 57 GLU . 1 58 VAL . 1 59 PHE . 1 60 ASN . 1 61 CYS . 1 62 MET . 1 63 LEU . 1 64 ARG . 1 65 ASN . 1 66 LEU . 1 67 PHE . 1 68 GLU . 1 69 GLU . 1 70 TYR . 1 71 ARG . 1 72 PHE . 1 73 PHE . 1 74 PRO . 1 75 GLN . 1 76 TYR . 1 77 PRO . 1 78 ASP . 1 79 LYS . 1 80 GLU . 1 81 LEU . 1 82 HIS . 1 83 ILE . 1 84 THR . 1 85 ALA . 1 86 CYS . 1 87 LEU . 1 88 PHE . 1 89 GLY . 1 90 GLY . 1 91 ILE . 1 92 ILE . 1 93 GLU . 1 94 LYS . 1 95 GLY . 1 96 LEU . 1 97 VAL . 1 98 THR . 1 99 TYR . 1 100 MET . 1 101 ALA . 1 102 LEU . 1 103 GLY . 1 104 LEU . 1 105 ALA . 1 106 LEU . 1 107 ARG . 1 108 TYR . 1 109 VAL . 1 110 LEU . 1 111 GLU . 1 112 ALA . 1 113 LEU . 1 114 ARG . 1 115 LYS . 1 116 PRO . 1 117 PHE . 1 118 GLY . 1 119 SER . 1 120 LYS . 1 121 MET . 1 122 TYR . 1 123 TYR . 1 124 PHE . 1 125 GLY . 1 126 ILE . 1 127 ALA . 1 128 ALA . 1 129 LEU . 1 130 ASP . 1 131 ARG . 1 132 PHE . 1 133 LYS . 1 134 ASN . 1 135 ARG . 1 136 LEU . 1 137 LYS . 1 138 ASP . 1 139 TYR . 1 140 PRO . 1 141 GLN . 1 142 TYR . 1 143 CYS . 1 144 GLN . 1 145 HIS . 1 146 LEU . 1 147 ALA . 1 148 SER . 1 149 ILE . 1 150 SER . 1 151 HIS . 1 152 PHE . 1 153 MET . 1 154 GLN . 1 155 PHE . 1 156 PRO . 1 157 HIS . 1 158 HIS . 1 159 LEU . 1 160 GLN . 1 161 GLU . 1 162 TYR . 1 163 ILE . 1 164 GLU . 1 165 TYR . 1 166 GLY . 1 167 GLN . 1 168 GLN . 1 169 SER . 1 170 ARG . 1 171 ASP . 1 172 PRO . 1 173 PRO . 1 174 VAL . 1 175 LYS . 1 176 MET . 1 177 GLN . 2 1 GLY . 2 2 GLY . 2 3 GLY . 2 4 GLY . 2 5 SER . 2 6 GLY . 2 7 GLY . 2 8 GLY . 2 9 GLY . 2 10 SER . 2 11 SER . 2 12 SER . 2 13 SER . 2 14 SER . 2 15 ASN . 2 16 SER . 2 17 SER . 2 18 ALA . 2 19 GLY . 2 20 GLY . 2 21 GLY . 2 22 ALA . 2 23 GLY . 2 24 LYS . 2 25 GLN . 2 26 ASN . 2 27 GLY . 2 28 ALA . 2 29 THR . 2 30 SER . 2 31 TYR . 2 32 SER . 2 33 SER . 2 34 VAL . 2 35 VAL . 2 36 ALA . 2 37 ASP . 2 38 SER . 2 39 PRO . 2 40 ALA . 2 41 GLU . 2 42 VAL . 2 43 ALA . 2 44 LEU . 2 45 SER . 2 46 SER . 2 47 SER . 2 48 GLY . 2 49 GLY . 2 50 ASN . 2 51 ASN . 2 52 ALA . 2 53 SER . 2 54 SER . 2 55 GLN . 2 56 ALA . 2 57 LEU . 2 58 GLY . 2 59 PRO . 2 60 PRO . 2 61 SER . 2 62 GLY . 2 63 PRO . 2 64 HIS . 2 65 ASN . 2 66 PRO . 2 67 PRO . 2 68 PRO . 2 69 SER . 2 70 THR . 2 71 SER . 2 72 LYS . 2 73 GLU . 2 74 PRO . 2 75 SER . 2 76 ALA . 2 77 ALA . 2 78 ALA . 2 79 PRO . 2 80 THR . 2 81 GLY . 2 82 ALA . 2 83 GLY . 2 84 GLY . 2 85 VAL . 2 86 ALA . 2 87 PRO . 2 88 GLY . 2 89 SER . 2 90 GLY . 2 91 ASN . 2 92 ASN . 2 93 SER . 2 94 GLY . 2 95 GLY . 2 96 PRO . 2 97 SER . 2 98 LEU . 2 99 LEU . 2 100 VAL . 2 101 PRO . 2 102 LEU . 2 103 PRO . 2 104 VAL . 2 105 ASN . 2 106 PRO . 2 107 PRO . 2 108 SER . 2 109 SER . 2 110 PRO . 2 111 THR . 2 112 PRO . 2 113 SER . 2 114 PHE . 2 115 SER . 2 116 ASP . 2 117 ALA . 2 118 LYS . 2 119 ALA . 2 120 ALA . 2 121 GLY . 2 122 ALA . 2 123 LEU . 2 124 LEU . 2 125 ASN . 2 126 GLY . 2 127 PRO . 2 128 PRO . 2 129 GLN . 2 130 PHE . 2 131 SER . 2 132 THR . 2 133 ALA . 2 134 PRO . 2 135 GLU . 2 136 ILE . 2 137 LYS . 2 138 ALA . 2 139 PRO . 2 140 GLU . 2 141 PRO . 2 142 LEU . 2 143 SER . 2 144 SER . 2 145 LEU . 2 146 LYS . 2 147 SER . 2 148 MET . 2 149 ALA . 2 150 GLU . 2 151 ARG . 2 152 ALA . 2 153 ALA . 2 154 ILE . 2 155 SER . 2 156 SER . 2 157 GLY . 2 158 ILE . 2 159 GLU . 2 160 ASP . 2 161 PRO . 2 162 VAL . 2 163 PRO . 2 164 THR . 2 165 LEU . 2 166 HIS . 2 167 LEU . 2 168 THR . 2 169 GLU . 2 170 ARG . 2 171 ASP . 2 172 ILE . 2 173 ILE . 2 174 LEU . 2 175 SER . 2 176 SER . 2 177 THR . 2 178 SER . 2 179 ALA . 2 180 PRO . 2 181 PRO . 2 182 ALA . 2 183 SER . 2 184 ALA . 2 185 GLN . 2 186 PRO . 2 187 PRO . 2 188 LEU . 2 189 GLN . 2 190 LEU . 2 191 SER . 2 192 GLU . 2 193 VAL . 2 194 ASN . 2 195 ILE . 2 196 PRO . 2 197 LEU . 2 198 SER . 2 199 LEU . 2 200 GLY . 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 SER 830 830 SER SER A . A 1 2 GLN 831 831 GLN GLN A . A 1 3 VAL 832 832 VAL VAL A . A 1 4 TRP 833 833 TRP TRP A . A 1 5 PRO 834 834 PRO PRO A . A 1 6 GLU 835 835 GLU GLU A . A 1 7 ALA 836 836 ALA ALA A . A 1 8 ASN 837 837 ASN ASN A . A 1 9 GLN 838 838 GLN GLN A . A 1 10 HIS 839 839 HIS HIS A . A 1 11 PHE 840 840 PHE PHE A . A 1 12 SER 841 841 SER SER A . A 1 13 LYS 842 842 LYS LYS A . A 1 14 GLU 843 843 GLU GLU A . A 1 15 ILE 844 844 ILE ILE A . A 1 16 ASP 845 845 ASP ASP A . A 1 17 ASP 846 846 ASP ASP A . A 1 18 GLU 847 847 GLU GLU A . A 1 19 ALA 848 848 ALA ALA A . A 1 20 ASN 849 849 ASN ASN A . A 1 21 SER 850 850 SER SER A . A 1 22 TYR 851 851 TYR TYR A . A 1 23 PHE 852 852 PHE PHE A . A 1 24 GLN 853 853 GLN GLN A . A 1 25 ARG 854 854 ARG ARG A . A 1 26 ILE 855 855 ILE ILE A . A 1 27 TYR 856 856 TYR TYR A . A 1 28 ASN 857 857 ASN ASN A . A 1 29 HIS 858 858 HIS HIS A . A 1 30 PRO 859 859 PRO PRO A . A 1 31 PRO 860 860 PRO PRO A . A 1 32 HIS 861 861 HIS HIS A . A 1 33 PRO 862 862 PRO PRO A . A 1 34 THR 863 863 THR THR A . A 1 35 MET 864 864 MET MET A . A 1 36 SER 865 865 SER SER A . A 1 37 VAL 866 866 VAL VAL A . A 1 38 ASP 867 867 ASP ASP A . A 1 39 GLU 868 868 GLU GLU A . A 1 40 VAL 869 869 VAL VAL A . A 1 41 LEU 870 870 LEU LEU A . A 1 42 GLU 871 871 GLU GLU A . A 1 43 MET 872 872 MET MET A . A 1 44 LEU 873 873 LEU LEU A . A 1 45 GLN 874 874 GLN GLN A . A 1 46 ARG 875 875 ARG ARG A . A 1 47 PHE 876 876 PHE PHE A . A 1 48 LYS 877 877 LYS LYS A . A 1 49 ASP 878 878 ASP ASP A . A 1 50 SER 879 879 SER SER A . A 1 51 THR 880 880 THR THR A . A 1 52 ILE 881 881 ILE ILE A . A 1 53 LYS 882 882 LYS LYS A . A 1 54 ARG 883 883 ARG ARG A . A 1 55 GLU 884 884 GLU GLU A . A 1 56 ARG 885 885 ARG ARG A . A 1 57 GLU 886 886 GLU GLU A . A 1 58 VAL 887 887 VAL VAL A . A 1 59 PHE 888 888 PHE PHE A . A 1 60 ASN 889 889 ASN ASN A . A 1 61 CYS 890 890 CYS CYS A . A 1 62 MET 891 891 MET MET A . A 1 63 LEU 892 892 LEU LEU A . A 1 64 ARG 893 893 ARG ARG A . A 1 65 ASN 894 894 ASN ASN A . A 1 66 LEU 895 895 LEU LEU A . A 1 67 PHE 896 896 PHE PHE A . A 1 68 GLU 897 897 GLU GLU A . A 1 69 GLU 898 898 GLU GLU A . A 1 70 TYR 899 899 TYR TYR A . A 1 71 ARG 900 900 ARG ARG A . A 1 72 PHE 901 901 PHE PHE A . A 1 73 PHE 902 902 PHE PHE A . A 1 74 PRO 903 903 PRO PRO A . A 1 75 GLN 904 904 GLN GLN A . A 1 76 TYR 905 905 TYR TYR A . A 1 77 PRO 906 906 PRO PRO A . A 1 78 ASP 907 907 ASP ASP A . A 1 79 LYS 908 908 LYS LYS A . A 1 80 GLU 909 909 GLU GLU A . A 1 81 LEU 910 910 LEU LEU A . A 1 82 HIS 911 911 HIS HIS A . A 1 83 ILE 912 912 ILE ILE A . A 1 84 THR 913 913 THR THR A . A 1 85 ALA 914 914 ALA ALA A . A 1 86 CYS 915 915 CYS CYS A . A 1 87 LEU 916 916 LEU LEU A . A 1 88 PHE 917 917 PHE PHE A . A 1 89 GLY 918 918 GLY GLY A . A 1 90 GLY 919 919 GLY GLY A . A 1 91 ILE 920 920 ILE ILE A . A 1 92 ILE 921 921 ILE ILE A . A 1 93 GLU 922 922 GLU GLU A . A 1 94 LYS 923 923 LYS LYS A . A 1 95 GLY 924 924 GLY GLY A . A 1 96 LEU 925 925 LEU LEU A . A 1 97 VAL 926 926 VAL VAL A . A 1 98 THR 927 927 THR THR A . A 1 99 TYR 928 928 TYR TYR A . A 1 100 MET 929 929 MET MET A . A 1 101 ALA 930 930 ALA ALA A . A 1 102 LEU 931 931 LEU LEU A . A 1 103 GLY 932 932 GLY GLY A . A 1 104 LEU 933 933 LEU LEU A . A 1 105 ALA 934 934 ALA ALA A . A 1 106 LEU 935 935 LEU LEU A . A 1 107 ARG 936 936 ARG ARG A . A 1 108 TYR 937 937 TYR TYR A . A 1 109 VAL 938 938 VAL VAL A . A 1 110 LEU 939 939 LEU LEU A . A 1 111 GLU 940 940 GLU GLU A . A 1 112 ALA 941 941 ALA ALA A . A 1 113 LEU 942 942 LEU LEU A . A 1 114 ARG 943 943 ARG ARG A . A 1 115 LYS 944 944 LYS LYS A . A 1 116 PRO 945 945 PRO PRO A . A 1 117 PHE 946 946 PHE PHE A . A 1 118 GLY 947 947 GLY GLY A . A 1 119 SER 948 948 SER SER A . A 1 120 LYS 949 949 LYS LYS A . A 1 121 MET 950 950 MET MET A . A 1 122 TYR 951 951 TYR TYR A . A 1 123 TYR 952 952 TYR TYR A . A 1 124 PHE 953 953 PHE PHE A . A 1 125 GLY 954 954 GLY GLY A . A 1 126 ILE 955 955 ILE ILE A . A 1 127 ALA 956 956 ALA ALA A . A 1 128 ALA 957 957 ALA ALA A . A 1 129 LEU 958 958 LEU LEU A . A 1 130 ASP 959 959 ASP ASP A . A 1 131 ARG 960 960 ARG ARG A . A 1 132 PHE 961 961 PHE PHE A . A 1 133 LYS 962 962 LYS LYS A . A 1 134 ASN 963 963 ASN ASN A . A 1 135 ARG 964 964 ARG ARG A . A 1 136 LEU 965 965 LEU LEU A . A 1 137 LYS 966 966 LYS LYS A . A 1 138 ASP 967 967 ASP ASP A . A 1 139 TYR 968 968 TYR TYR A . A 1 140 PRO 969 969 PRO PRO A . A 1 141 GLN 970 970 GLN GLN A . A 1 142 TYR 971 971 TYR TYR A . A 1 143 CYS 972 972 CYS CYS A . A 1 144 GLN 973 973 GLN GLN A . A 1 145 HIS 974 974 HIS HIS A . A 1 146 LEU 975 975 LEU LEU A . A 1 147 ALA 976 976 ALA ALA A . A 1 148 SER 977 977 SER SER A . A 1 149 ILE 978 978 ILE ILE A . A 1 150 SER 979 979 SER SER A . A 1 151 HIS 980 980 HIS HIS A . A 1 152 PHE 981 981 PHE PHE A . A 1 153 MET 982 982 MET MET A . A 1 154 GLN 983 983 GLN GLN A . A 1 155 PHE 984 984 PHE PHE A . A 1 156 PRO 985 985 PRO PRO A . A 1 157 HIS 986 986 HIS HIS A . A 1 158 HIS 987 987 HIS HIS A . A 1 159 LEU 988 988 LEU LEU A . A 1 160 GLN 989 989 GLN GLN A . A 1 161 GLU 990 990 GLU GLU A . A 1 162 TYR 991 991 TYR TYR A . A 1 163 ILE 992 992 ILE ILE A . A 1 164 GLU 993 993 GLU GLU A . A 1 165 TYR 994 994 TYR TYR A . A 1 166 GLY 995 995 GLY GLY A . A 1 167 GLN 996 996 GLN GLN A . A 1 168 GLN 997 997 GLN GLN A . A 1 169 SER 998 998 SER SER A . A 1 170 ARG 999 999 ARG ARG A . A 1 171 ASP 1000 1000 ASP ASP A . A 1 172 PRO 1001 1001 PRO PRO A . A 1 173 PRO 1002 1002 PRO PRO A . A 1 174 VAL 1003 1003 VAL VAL A . A 1 175 LYS 1004 1004 LYS LYS A . A 1 176 MET 1005 1005 MET MET A . A 1 177 GLN 1006 1006 GLN GLN A . B 2 1 GLY 399 399 GLY GLY B . B 2 2 GLY 400 400 GLY GLY B . B 2 3 GLY 401 401 GLY GLY B . B 2 4 GLY 402 402 GLY GLY B . B 2 5 SER 403 403 SER SER B . B 2 6 GLY 404 404 GLY GLY B . B 2 7 GLY 405 405 GLY GLY B . B 2 8 GLY 406 406 GLY GLY B . B 2 9 GLY 407 407 GLY GLY B . B 2 10 SER 408 408 SER SER B . B 2 11 SER 409 409 SER SER B . B 2 12 SER 410 410 SER SER B . B 2 13 SER 411 411 SER SER B . B 2 14 SER 412 412 SER SER B . B 2 15 ASN 413 413 ASN ASN B . B 2 16 SER 414 414 SER SER B . B 2 17 SER 415 415 SER SER B . B 2 18 ALA 416 416 ALA ALA B . B 2 19 GLY 417 417 GLY GLY B . B 2 20 GLY 418 418 GLY GLY B . B 2 21 GLY 419 419 GLY GLY B . B 2 22 ALA 420 420 ALA ALA B . B 2 23 GLY 421 421 GLY GLY B . B 2 24 LYS 422 422 LYS LYS B . B 2 25 GLN 423 423 GLN GLN B . B 2 26 ASN 424 424 ASN ASN B . B 2 27 GLY 425 425 GLY GLY B . B 2 28 ALA 426 426 ALA ALA B . B 2 29 THR 427 427 THR THR B . B 2 30 SER 428 428 SER SER B . B 2 31 TYR 429 429 TYR TYR B . B 2 32 SER 430 430 SER SER B . B 2 33 SER 431 431 SER SER B . B 2 34 VAL 432 432 VAL VAL B . B 2 35 VAL 433 433 VAL VAL B . B 2 36 ALA 434 434 ALA ALA B . B 2 37 ASP 435 435 ASP ASP B . B 2 38 SER 436 436 SER SER B . B 2 39 PRO 437 437 PRO PRO B . B 2 40 ALA 438 438 ALA ALA B . B 2 41 GLU 439 439 GLU GLU B . B 2 42 VAL 440 440 VAL VAL B . B 2 43 ALA 441 441 ALA ALA B . B 2 44 LEU 442 442 LEU LEU B . B 2 45 SER 443 443 SER SER B . B 2 46 SER 444 444 SER SER B . B 2 47 SER 445 445 SER SER B . B 2 48 GLY 446 446 GLY GLY B . B 2 49 GLY 447 447 GLY GLY B . B 2 50 ASN 448 448 ASN ASN B . B 2 51 ASN 449 449 ASN ASN B . B 2 52 ALA 450 450 ALA ALA B . B 2 53 SER 451 451 SER SER B . B 2 54 SER 452 452 SER SER B . B 2 55 GLN 453 453 GLN GLN B . B 2 56 ALA 454 454 ALA ALA B . B 2 57 LEU 455 455 LEU LEU B . B 2 58 GLY 456 456 GLY GLY B . B 2 59 PRO 457 457 PRO PRO B . B 2 60 PRO 458 458 PRO PRO B . B 2 61 SER 459 459 SER SER B . B 2 62 GLY 460 460 GLY GLY B . B 2 63 PRO 461 461 PRO PRO B . B 2 64 HIS 462 462 HIS HIS B . B 2 65 ASN 463 463 ASN ASN B . B 2 66 PRO 464 464 PRO PRO B . B 2 67 PRO 465 465 PRO PRO B . B 2 68 PRO 466 466 PRO PRO B . B 2 69 SER 467 467 SER SER B . B 2 70 THR 468 468 THR THR B . B 2 71 SER 469 469 SER SER B . B 2 72 LYS 470 470 LYS LYS B . B 2 73 GLU 471 471 GLU GLU B . B 2 74 PRO 472 472 PRO PRO B . B 2 75 SER 473 473 SER SER B . B 2 76 ALA 474 474 ALA ALA B . B 2 77 ALA 475 475 ALA ALA B . B 2 78 ALA 476 476 ALA ALA B . B 2 79 PRO 477 477 PRO PRO B . B 2 80 THR 478 478 THR THR B . B 2 81 GLY 479 479 GLY GLY B . B 2 82 ALA 480 480 ALA ALA B . B 2 83 GLY 481 481 GLY GLY B . B 2 84 GLY 482 482 GLY GLY B . B 2 85 VAL 483 483 VAL VAL B . B 2 86 ALA 484 484 ALA ALA B . B 2 87 PRO 485 485 PRO PRO B . B 2 88 GLY 486 486 GLY GLY B . B 2 89 SER 487 487 SER SER B . B 2 90 GLY 488 488 GLY GLY B . B 2 91 ASN 489 489 ASN ASN B . B 2 92 ASN 490 490 ASN ASN B . B 2 93 SER 491 491 SER SER B . B 2 94 GLY 492 492 GLY GLY B . B 2 95 GLY 493 493 GLY GLY B . B 2 96 PRO 494 494 PRO PRO B . B 2 97 SER 495 495 SER SER B . B 2 98 LEU 496 496 LEU LEU B . B 2 99 LEU 497 497 LEU LEU B . B 2 100 VAL 498 498 VAL VAL B . B 2 101 PRO 499 499 PRO PRO B . B 2 102 LEU 500 500 LEU LEU B . B 2 103 PRO 501 501 PRO PRO B . B 2 104 VAL 502 502 VAL VAL B . B 2 105 ASN 503 503 ASN ASN B . B 2 106 PRO 504 504 PRO PRO B . B 2 107 PRO 505 505 PRO PRO B . B 2 108 SER 506 506 SER SER B . B 2 109 SER 507 507 SER SER B . B 2 110 PRO 508 508 PRO PRO B . B 2 111 THR 509 509 THR THR B . B 2 112 PRO 510 510 PRO PRO B . B 2 113 SER 511 511 SER SER B . B 2 114 PHE 512 512 PHE PHE B . B 2 115 SER 513 513 SER SER B . B 2 116 ASP 514 514 ASP ASP B . B 2 117 ALA 515 515 ALA ALA B . B 2 118 LYS 516 516 LYS LYS B . B 2 119 ALA 517 517 ALA ALA B . B 2 120 ALA 518 518 ALA ALA B . B 2 121 GLY 519 519 GLY GLY B . B 2 122 ALA 520 520 ALA ALA B . B 2 123 LEU 521 521 LEU LEU B . B 2 124 LEU 522 522 LEU LEU B . B 2 125 ASN 523 523 ASN ASN B . B 2 126 GLY 524 524 GLY GLY B . B 2 127 PRO 525 525 PRO PRO B . B 2 128 PRO 526 526 PRO PRO B . B 2 129 GLN 527 527 GLN GLN B . B 2 130 PHE 528 528 PHE PHE B . B 2 131 SER 529 529 SER SER B . B 2 132 THR 530 530 THR THR B . B 2 133 ALA 531 531 ALA ALA B . B 2 134 PRO 532 532 PRO PRO B . B 2 135 GLU 533 533 GLU GLU B . B 2 136 ILE 534 534 ILE ILE B . B 2 137 LYS 535 535 LYS LYS B . B 2 138 ALA 536 536 ALA ALA B . B 2 139 PRO 537 537 PRO PRO B . B 2 140 GLU 538 538 GLU GLU B . B 2 141 PRO 539 539 PRO PRO B . B 2 142 LEU 540 540 LEU LEU B . B 2 143 SER 541 541 SER SER B . B 2 144 SER 542 542 SER SER B . B 2 145 LEU 543 543 LEU LEU B . B 2 146 LYS 544 544 LYS LYS B . B 2 147 SER 545 545 SER SER B . B 2 148 MET 546 546 MET MET B . B 2 149 ALA 547 547 ALA ALA B . B 2 150 GLU 548 548 GLU GLU B . B 2 151 ARG 549 549 ARG ARG B . B 2 152 ALA 550 550 ALA ALA B . B 2 153 ALA 551 551 ALA ALA B . B 2 154 ILE 552 552 ILE ILE B . B 2 155 SER 553 553 SER SER B . B 2 156 SER 554 554 SER SER B . B 2 157 GLY 555 555 GLY GLY B . B 2 158 ILE 556 556 ILE ILE B . B 2 159 GLU 557 557 GLU GLU B . B 2 160 ASP 558 558 ASP ASP B . B 2 161 PRO 559 559 PRO PRO B . B 2 162 VAL 560 560 VAL VAL B . B 2 163 PRO 561 561 PRO PRO B . B 2 164 THR 562 562 THR THR B . B 2 165 LEU 563 563 LEU LEU B . B 2 166 HIS 564 564 HIS HIS B . B 2 167 LEU 565 565 LEU LEU B . B 2 168 THR 566 566 THR THR B . B 2 169 GLU 567 567 GLU GLU B . B 2 170 ARG 568 568 ARG ARG B . B 2 171 ASP 569 569 ASP ASP B . B 2 172 ILE 570 570 ILE ILE B . B 2 173 ILE 571 571 ILE ILE B . B 2 174 LEU 572 572 LEU LEU B . B 2 175 SER 573 573 SER SER B . B 2 176 SER 574 574 SER SER B . B 2 177 THR 575 575 THR THR B . B 2 178 SER 576 576 SER SER B . B 2 179 ALA 577 577 ALA ALA B . B 2 180 PRO 578 578 PRO PRO B . B 2 181 PRO 579 579 PRO PRO B . B 2 182 ALA 580 580 ALA ALA B . B 2 183 SER 581 581 SER SER B . B 2 184 ALA 582 582 ALA ALA B . B 2 185 GLN 583 583 GLN GLN B . B 2 186 PRO 584 584 PRO PRO B . B 2 187 PRO 585 585 PRO PRO B . B 2 188 LEU 586 586 LEU LEU B . B 2 189 GLN 587 587 GLN GLN B . B 2 190 LEU 588 588 LEU LEU B . B 2 191 SER 589 589 SER SER B . B 2 192 GLU 590 590 GLU GLU B . B 2 193 VAL 591 591 VAL VAL B . B 2 194 ASN 592 592 ASN ASN B . B 2 195 ILE 593 593 ILE ILE B . B 2 196 PRO 594 594 PRO PRO B . B 2 197 LEU 595 595 LEU LEU B . B 2 198 SER 596 596 SER SER B . B 2 199 LEU 597 597 LEU LEU B . B 2 200 GLY 598 598 GLY GLY B . loop_ _ma_data.id _ma_data.name _ma_data.content_type 1 'Homo sapiens (Human) CNOT1 (A5YKK6; 830 - 1006)' target 2 'Homo sapiens (Human) CNOT3 (O75175; 399 - 598)' 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 . SER 1 830 ? A 16.492 5.659 -0.399 1.000 1 A 70.216 1 ATOM 2 C CA . SER 1 830 ? A 17.657 4.792 -0.539 1.000 1 A 70.216 1 ATOM 3 C C . SER 1 830 ? A 17.918 4.004 0.740 1.000 1 A 70.216 1 ATOM 4 O O . SER 1 830 ? A 18.414 2.876 0.691 1.000 1 A 70.216 1 ATOM 5 C CB . SER 1 830 ? A 18.896 5.612 -0.903 1.000 1 A 70.216 1 ATOM 6 O OG . SER 1 830 ? A 18.710 6.283 -2.137 1.000 1 A 70.216 1 ATOM 7 N N . GLN 2 831 ? A 17.539 4.615 1.835 1.000 1 A 77.528 1 ATOM 8 C CA . GLN 2 831 ? A 17.779 3.973 3.123 1.000 1 A 77.528 1 ATOM 9 C C . GLN 2 831 ? A 16.784 2.842 3.368 1.000 1 A 77.528 1 ATOM 10 O O . GLN 2 831 ? A 17.111 1.852 4.026 1.000 1 A 77.528 1 ATOM 11 C CB . GLN 2 831 ? A 17.698 4.997 4.257 1.000 1 A 77.528 1 ATOM 12 C CG . GLN 2 831 ? A 18.960 5.833 4.421 1.000 1 A 77.528 1 ATOM 13 C CD . GLN 2 831 ? A 18.899 6.758 5.622 1.000 1 A 77.528 1 ATOM 14 O OE1 . GLN 2 831 ? A 17.856 6.885 6.272 1.000 1 A 77.528 1 ATOM 15 N NE2 . GLN 2 831 ? A 20.016 7.410 5.926 1.000 1 A 77.528 1 ATOM 16 N N . VAL 3 832 ? A 15.564 2.922 2.819 1.000 1 A 76.172 1 ATOM 17 C CA . VAL 3 832 ? A 14.501 1.952 3.059 1.000 1 A 76.172 1 ATOM 18 C C . VAL 3 832 ? A 14.708 0.728 2.170 1.000 1 A 76.172 1 ATOM 19 O O . VAL 3 832 ? A 14.454 -0.403 2.591 1.000 1 A 76.172 1 ATOM 20 C CB . VAL 3 832 ? A 13.105 2.565 2.806 1.000 1 A 76.172 1 ATOM 21 C CG1 . VAL 3 832 ? A 12.008 1.532 3.057 1.000 1 A 76.172 1 ATOM 22 C CG2 . VAL 3 832 ? A 12.896 3.796 3.686 1.000 1 A 76.172 1 ATOM 23 N N . TRP 4 833 ? A 15.348 0.862 1.073 1.000 1 A 75.838 1 ATOM 24 C CA . TRP 4 833 ? A 15.607 -0.239 0.152 1.000 1 A 75.838 1 ATOM 25 C C . TRP 4 833 ? A 17.072 -0.262 -0.272 1.000 1 A 75.838 1 ATOM 26 O O . TRP 4 833 ? A 17.419 0.221 -1.352 1.000 1 A 75.838 1 ATOM 27 C CB . TRP 4 833 ? A 14.707 -0.132 -1.082 1.000 1 A 75.838 1 ATOM 28 C CG . TRP 4 833 ? A 13.269 -0.461 -0.817 1.000 1 A 75.838 1 ATOM 29 C CD1 . TRP 4 833 ? A 12.698 -1.703 -0.796 1.000 1 A 75.838 1 ATOM 30 C CD2 . TRP 4 833 ? A 12.217 0.469 -0.540 1.000 1 A 75.838 1 ATOM 31 N NE1 . TRP 4 833 ? A 11.353 -1.601 -0.522 1.000 1 A 75.838 1 ATOM 32 C CE2 . TRP 4 833 ? A 11.033 -0.280 -0.360 1.000 1 A 75.838 1 ATOM 33 C CE3 . TRP 4 833 ? A 12.161 1.864 -0.424 1.000 1 A 75.838 1 ATOM 34 C CZ2 . TRP 4 833 ? A 9.806 0.321 -0.071 1.000 1 A 75.838 1 ATOM 35 C CZ3 . TRP 4 833 ? A 10.939 2.461 -0.137 1.000 1 A 75.838 1 ATOM 36 C CH2 . TRP 4 833 ? A 9.779 1.687 0.036 1.000 1 A 75.838 1 ATOM 37 N N . PRO 5 834 ? A 18.031 -0.733 0.669 1.000 1 A 75.645 1 ATOM 38 C CA . PRO 5 834 ? A 19.440 -0.707 0.267 1.000 1 A 75.645 1 ATOM 39 C C . PRO 5 834 ? A 19.702 -1.493 -1.016 1.000 1 A 75.645 1 ATOM 40 O O . PRO 5 834 ? A 20.527 -1.084 -1.837 1.000 1 A 75.645 1 ATOM 41 C CB . PRO 5 834 ? A 20.158 -1.348 1.457 1.000 1 A 75.645 1 ATOM 42 C CG . PRO 5 834 ? A 19.111 -1.465 2.517 1.000 1 A 75.645 1 ATOM 43 C CD . PRO 5 834 ? A 17.766 -1.249 1.885 1.000 1 A 75.645 1 ATOM 44 N N . GLU 6 835 ? A 18.884 -2.607 -1.155 1.000 1 A 70.498 1 ATOM 45 C CA . GLU 6 835 ? A 19.100 -3.471 -2.312 1.000 1 A 70.498 1 ATOM 46 C C . GLU 6 835 ? A 18.561 -2.831 -3.588 1.000 1 A 70.498 1 ATOM 47 O O . GLU 6 835 ? A 19.004 -3.160 -4.690 1.000 1 A 70.498 1 ATOM 48 C CB . GLU 6 835 ? A 18.445 -4.838 -2.092 1.000 1 A 70.498 1 ATOM 49 C CG . GLU 6 835 ? A 19.160 -5.704 -1.066 1.000 1 A 70.498 1 ATOM 50 C CD . GLU 6 835 ? A 18.628 -5.524 0.347 1.000 1 A 70.498 1 ATOM 51 O OE1 . GLU 6 835 ? A 19.142 -6.183 1.278 1.000 1 A 70.498 1 ATOM 52 O OE2 . GLU 6 835 ? A 17.687 -4.718 0.523 1.000 1 A 70.498 1 ATOM 53 N N . ALA 7 836 ? A 17.776 -1.862 -3.405 1.000 1 A 65.498 1 ATOM 54 C CA . ALA 7 836 ? A 17.111 -1.230 -4.542 1.000 1 A 65.498 1 ATOM 55 C C . ALA 7 836 ? A 17.950 -0.084 -5.100 1.000 1 A 65.498 1 ATOM 56 O O . ALA 7 836 ? A 17.581 0.532 -6.103 1.000 1 A 65.498 1 ATOM 57 C CB . ALA 7 836 ? A 15.728 -0.726 -4.136 1.000 1 A 65.498 1 ATOM 58 N N . ASN 8 837 ? A 19.077 0.345 -4.392 1.000 1 A 68.898 1 ATOM 59 C CA . ASN 8 837 ? A 19.964 1.392 -4.889 1.000 1 A 68.898 1 ATOM 60 C C . ASN 8 837 ? A 20.719 0.942 -6.136 1.000 1 A 68.898 1 ATOM 61 O O . ASN 8 837 ? A 21.492 1.711 -6.711 1.000 1 A 68.898 1 ATOM 62 C CB . ASN 8 837 ? A 20.948 1.824 -3.800 1.000 1 A 68.898 1 ATOM 63 C CG . ASN 8 837 ? A 20.423 2.973 -2.961 1.000 1 A 68.898 1 ATOM 64 O OD1 . ASN 8 837 ? A 19.219 3.076 -2.711 1.000 1 A 68.898 1 ATOM 65 N ND2 . ASN 8 837 ? A 21.322 3.844 -2.520 1.000 1 A 68.898 1 ATOM 66 N N . GLN 9 838 ? A 20.280 -0.158 -6.654 1.000 1 A 75.120 1 ATOM 67 C CA . GLN 9 838 ? A 20.891 -0.667 -7.877 1.000 1 A 75.120 1 ATOM 68 C C . GLN 9 838 ? A 20.138 -0.181 -9.112 1.000 1 A 75.120 1 ATOM 69 O O . GLN 9 838 ? A 18.909 -0.082 -9.097 1.000 1 A 75.120 1 ATOM 70 C CB . GLN 9 838 ? A 20.939 -2.196 -7.859 1.000 1 A 75.120 1 ATOM 71 C CG . GLN 9 838 ? A 22.073 -2.766 -7.018 1.000 1 A 75.120 1 ATOM 72 C CD . GLN 9 838 ? A 22.182 -4.275 -7.126 1.000 1 A 75.120 1 ATOM 73 O OE1 . GLN 9 838 ? A 21.373 -4.923 -7.798 1.000 1 A 75.120 1 ATOM 74 N NE2 . GLN 9 838 ? A 23.183 -4.846 -6.463 1.000 1 A 75.120 1 ATOM 75 N N . HIS 10 839 ? A 20.808 0.731 -9.874 1.000 1 A 82.670 1 ATOM 76 C CA . HIS 10 839 ? A 20.254 1.036 -11.188 1.000 1 A 82.670 1 ATOM 77 C C . HIS 10 839 ? A 19.780 -0.230 -11.893 1.000 1 A 82.670 1 ATOM 78 O O . HIS 10 839 ? A 20.519 -1.214 -11.974 1.000 1 A 82.670 1 ATOM 79 C CB . HIS 10 839 ? A 21.287 1.762 -12.050 1.000 1 A 82.670 1 ATOM 80 C CG . HIS 10 839 ? A 21.447 3.209 -11.705 1.000 1 A 82.670 1 ATOM 81 N ND1 . HIS 10 839 ? A 22.283 3.646 -10.699 1.000 1 A 82.670 1 ATOM 82 C CD2 . HIS 10 839 ? A 20.879 4.317 -12.235 1.000 1 A 82.670 1 ATOM 83 C CE1 . HIS 10 839 ? A 22.220 4.965 -10.626 1.000 1 A 82.670 1 ATOM 84 N NE2 . HIS 10 839 ? A 21.376 5.397 -11.546 1.000 1 A 82.670 1 ATOM 85 N N . PHE 11 840 ? A 18.472 -0.351 -11.980 1.000 1 A 88.631 1 ATOM 86 C CA . PHE 11 840 ? A 17.894 -1.513 -12.645 1.000 1 A 88.631 1 ATOM 87 C C . PHE 11 840 ? A 18.170 -1.472 -14.144 1.000 1 A 88.631 1 ATOM 88 O O . PHE 11 840 ? A 18.232 -0.395 -14.740 1.000 1 A 88.631 1 ATOM 89 C CB . PHE 11 840 ? A 16.384 -1.583 -12.392 1.000 1 A 88.631 1 ATOM 90 C CG . PHE 11 840 ? A 16.019 -1.720 -10.939 1.000 1 A 88.631 1 ATOM 91 C CD1 . PHE 11 840 ? A 16.240 -2.913 -10.261 1.000 1 A 88.631 1 ATOM 92 C CD2 . PHE 11 840 ? A 15.453 -0.655 -10.250 1.000 1 A 88.631 1 ATOM 93 C CE1 . PHE 11 840 ? A 15.903 -3.042 -8.916 1.000 1 A 88.631 1 ATOM 94 C CE2 . PHE 11 840 ? A 15.113 -0.777 -8.905 1.000 1 A 88.631 1 ATOM 95 C CZ . PHE 11 840 ? A 15.338 -1.972 -8.241 1.000 1 A 88.631 1 ATOM 96 N N . SER 12 841 ? A 18.632 -2.628 -14.715 1.000 1 A 93.368 1 ATOM 97 C CA . SER 12 841 ? A 18.810 -2.746 -16.159 1.000 1 A 93.368 1 ATOM 98 C C . SER 12 841 ? A 17.526 -2.402 -16.905 1.000 1 A 93.368 1 ATOM 99 O O . SER 12 841 ? A 16.435 -2.458 -16.333 1.000 1 A 93.368 1 ATOM 100 C CB . SER 12 841 ? A 19.262 -4.160 -16.529 1.000 1 A 93.368 1 ATOM 101 O OG . SER 12 841 ? A 18.256 -5.108 -16.215 1.000 1 A 93.368 1 ATOM 102 N N . LYS 13 842 ? A 17.625 -1.921 -18.089 1.000 1 A 94.131 1 ATOM 103 C CA . LYS 13 842 ? A 16.494 -1.600 -18.953 1.000 1 A 94.131 1 ATOM 104 C C . LYS 13 842 ? A 15.558 -2.797 -19.102 1.000 1 A 94.131 1 ATOM 105 O O . LYS 13 842 ? A 14.336 -2.639 -19.105 1.000 1 A 94.131 1 ATOM 106 C CB . LYS 13 842 ? A 16.981 -1.142 -20.329 1.000 1 A 94.131 1 ATOM 107 C CG . LYS 13 842 ? A 15.864 -0.728 -21.275 1.000 1 A 94.131 1 ATOM 108 C CD . LYS 13 842 ? A 16.416 -0.201 -22.594 1.000 1 A 94.131 1 ATOM 109 C CE . LYS 13 842 ? A 15.315 0.385 -23.467 1.000 1 A 94.131 1 ATOM 110 N NZ . LYS 13 842 ? A 14.468 -0.682 -24.081 1.000 1 A 94.131 1 ATOM 111 N N . GLU 14 843 ? A 16.065 -3.964 -19.179 1.000 1 A 95.876 1 ATOM 112 C CA . GLU 14 843 ? A 15.271 -5.181 -19.315 1.000 1 A 95.876 1 ATOM 113 C C . GLU 14 843 ? A 14.373 -5.393 -18.100 1.000 1 A 95.876 1 ATOM 114 O O . GLU 14 843 ? A 13.207 -5.768 -18.240 1.000 1 A 95.876 1 ATOM 115 C CB . GLU 14 843 ? A 16.180 -6.397 -19.517 1.000 1 A 95.876 1 ATOM 116 C CG . GLU 14 843 ? A 16.984 -6.356 -20.808 1.000 1 A 95.876 1 ATOM 117 C CD . GLU 14 843 ? A 18.247 -5.516 -20.702 1.000 1 A 95.876 1 ATOM 118 O OE1 . GLU 14 843 ? A 18.835 -5.169 -21.751 1.000 1 A 95.876 1 ATOM 119 O OE2 . GLU 14 843 ? A 18.653 -5.204 -19.560 1.000 1 A 95.876 1 ATOM 120 N N . ILE 15 844 ? A 14.881 -5.162 -16.907 1.000 1 A 96.261 1 ATOM 121 C CA . ILE 15 844 ? A 14.123 -5.303 -15.669 1.000 1 A 96.261 1 ATOM 122 C C . ILE 15 844 ? A 13.035 -4.233 -15.605 1.000 1 A 96.261 1 ATOM 123 O O . ILE 15 844 ? A 11.886 -4.528 -15.267 1.000 1 A 96.261 1 ATOM 124 C CB . ILE 15 844 ? A 15.042 -5.208 -14.430 1.000 1 A 96.261 1 ATOM 125 C CG1 . ILE 15 844 ? A 16.023 -6.385 -14.400 1.000 1 A 96.261 1 ATOM 126 C CG2 . ILE 15 844 ? A 14.211 -5.155 -13.144 1.000 1 A 96.261 1 ATOM 127 C CD1 . ILE 15 844 ? A 15.351 -7.747 -14.287 1.000 1 A 96.261 1 ATOM 128 N N . ASP 16 845 ? A 13.387 -3.039 -15.995 1.000 1 A 94.310 1 ATOM 129 C CA . ASP 16 845 ? A 12.430 -1.938 -16.031 1.000 1 A 94.310 1 ATOM 130 C C . ASP 16 845 ? A 11.286 -2.237 -16.997 1.000 1 A 94.310 1 ATOM 131 O O . ASP 16 845 ? A 10.118 -2.009 -16.674 1.000 1 A 94.310 1 ATOM 132 C CB . ASP 16 845 ? A 13.126 -0.634 -16.427 1.000 1 A 94.310 1 ATOM 133 C CG . ASP 16 845 ? A 13.795 0.060 -15.253 1.000 1 A 94.310 1 ATOM 134 O OD1 . ASP 16 845 ? A 13.534 -0.318 -14.091 1.000 1 A 94.310 1 ATOM 135 O OD2 . ASP 16 845 ? A 14.588 0.996 -15.493 1.000 1 A 94.310 1 ATOM 136 N N . ASP 17 846 ? A 11.609 -2.733 -18.159 1.000 1 A 95.113 1 ATOM 137 C CA . ASP 17 846 ? A 10.604 -3.067 -19.164 1.000 1 A 95.113 1 ATOM 138 C C . ASP 17 846 ? A 9.674 -4.171 -18.665 1.000 1 A 95.113 1 ATOM 139 O O . ASP 17 846 ? A 8.463 -4.117 -18.888 1.000 1 A 95.113 1 ATOM 140 C CB . ASP 17 846 ? A 11.274 -3.494 -20.471 1.000 1 A 95.113 1 ATOM 141 C CG . ASP 17 846 ? A 11.927 -2.338 -21.208 1.000 1 A 95.113 1 ATOM 142 O OD1 . ASP 17 846 ? A 11.634 -1.167 -20.887 1.000 1 A 95.113 1 ATOM 143 O OD2 . ASP 17 846 ? A 12.740 -2.602 -22.121 1.000 1 A 95.113 1 ATOM 144 N N . GLU 18 847 ? A 10.309 -5.075 -17.996 1.000 1 A 95.636 1 ATOM 145 C CA . GLU 18 847 ? A 9.504 -6.165 -17.453 1.000 1 A 95.636 1 ATOM 146 C C . GLU 18 847 ? A 8.559 -5.664 -16.365 1.000 1 A 95.636 1 ATOM 147 O O . GLU 18 847 ? A 7.384 -6.037 -16.337 1.000 1 A 95.636 1 ATOM 148 C CB . GLU 18 847 ? A 10.403 -7.273 -16.899 1.000 1 A 95.636 1 ATOM 149 C CG . GLU 18 847 ? A 9.658 -8.553 -16.550 1.000 1 A 95.636 1 ATOM 150 C CD . GLU 18 847 ? A 10.581 -9.710 -16.205 1.000 1 A 95.636 1 ATOM 151 O OE1 . GLU 18 847 ? A 10.080 -10.815 -15.893 1.000 1 A 95.636 1 ATOM 152 O OE2 . GLU 18 847 ? A 11.816 -9.511 -16.245 1.000 1 A 95.636 1 ATOM 153 N N . ALA 19 848 ? A 9.018 -4.894 -15.441 1.000 1 A 95.309 1 ATOM 154 C CA . ALA 19 848 ? A 8.190 -4.300 -14.395 1.000 1 A 95.309 1 ATOM 155 C C . ALA 19 848 ? A 7.058 -3.471 -14.995 1.000 1 A 95.309 1 ATOM 156 O O . ALA 19 848 ? A 5.901 -3.602 -14.589 1.000 1 A 95.309 1 ATOM 157 C CB . ALA 19 848 ? A 9.042 -3.439 -13.467 1.000 1 A 95.309 1 ATOM 158 N N . ASN 20 849 ? A 7.370 -2.667 -15.985 1.000 1 A 94.051 1 ATOM 159 C CA . ASN 20 849 ? A 6.386 -1.827 -16.661 1.000 1 A 94.051 1 ATOM 160 C C . ASN 20 849 ? A 5.307 -2.665 -17.340 1.000 1 A 94.051 1 ATOM 161 O O . ASN 20 849 ? A 4.135 -2.285 -17.349 1.000 1 A 94.051 1 ATOM 162 C CB . ASN 20 849 ? A 7.070 -0.914 -17.680 1.000 1 A 94.051 1 ATOM 163 C CG . ASN 20 849 ? A 7.650 0.336 -17.048 1.000 1 A 94.051 1 ATOM 164 O OD1 . ASN 20 849 ? A 7.372 0.646 -15.887 1.000 1 A 94.051 1 ATOM 165 N ND2 . ASN 20 849 ? A 8.463 1.062 -17.807 1.000 1 A 94.051 1 ATOM 166 N N . SER 21 850 ? A 5.747 -3.784 -17.845 1.000 1 A 94.833 1 ATOM 167 C CA . SER 21 850 ? A 4.800 -4.667 -18.517 1.000 1 A 94.833 1 ATOM 168 C C . SER 21 850 ? A 3.745 -5.187 -17.545 1.000 1 A 94.833 1 ATOM 169 O O . SER 21 850 ? A 2.566 -5.283 -17.894 1.000 1 A 94.833 1 ATOM 170 C CB . SER 21 850 ? A 5.530 -5.844 -19.166 1.000 1 A 94.833 1 ATOM 171 O OG . SER 21 850 ? A 5.953 -6.776 -18.185 1.000 1 A 94.833 1 ATOM 172 N N . TYR 22 851 ? A 4.097 -5.461 -16.291 1.000 1 A 95.170 1 ATOM 173 C CA . TYR 22 851 ? A 3.147 -5.943 -15.295 1.000 1 A 95.170 1 ATOM 174 C C . TYR 22 851 ? A 2.149 -4.854 -14.921 1.000 1 A 95.170 1 ATOM 175 O O . TYR 22 851 ? A 0.949 -5.116 -14.804 1.000 1 A 95.170 1 ATOM 176 C CB . TYR 22 851 ? A 3.881 -6.430 -14.042 1.000 1 A 95.170 1 ATOM 177 C CG . TYR 22 851 ? A 4.644 -7.716 -14.247 1.000 1 A 95.170 1 ATOM 178 C CD1 . TYR 22 851 ? A 3.987 -8.885 -14.626 1.000 1 A 95.170 1 ATOM 179 C CD2 . TYR 22 851 ? A 6.021 -7.766 -14.061 1.000 1 A 95.170 1 ATOM 180 C CE1 . TYR 22 851 ? A 4.686 -10.073 -14.814 1.000 1 A 95.170 1 ATOM 181 C CE2 . TYR 22 851 ? A 6.729 -8.949 -14.246 1.000 1 A 95.170 1 ATOM 182 C CZ . TYR 22 851 ? A 6.054 -10.095 -14.623 1.000 1 A 95.170 1 ATOM 183 O OH . TYR 22 851 ? A 6.750 -11.269 -14.808 1.000 1 A 95.170 1 ATOM 184 N N . PHE 23 852 ? A 2.630 -3.611 -14.806 1.000 1 A 94.078 1 ATOM 185 C CA . PHE 23 852 ? A 1.742 -2.503 -14.474 1.000 1 A 94.078 1 ATOM 186 C C . PHE 23 852 ? A 0.758 -2.240 -15.608 1.000 1 A 94.078 1 ATOM 187 O O . PHE 23 852 ? A -0.424 -1.987 -15.364 1.000 1 A 94.078 1 ATOM 188 C CB . PHE 23 852 ? A 2.550 -1.236 -14.176 1.000 1 A 94.078 1 ATOM 189 C CG . PHE 23 852 ? A 3.218 -1.246 -12.827 1.000 1 A 94.078 1 ATOM 190 C CD1 . PHE 23 852 ? A 2.468 -1.385 -11.666 1.000 1 A 94.078 1 ATOM 191 C CD2 . PHE 23 852 ? A 4.596 -1.116 -12.721 1.000 1 A 94.078 1 ATOM 192 C CE1 . PHE 23 852 ? A 3.083 -1.394 -10.416 1.000 1 A 94.078 1 ATOM 193 C CE2 . PHE 23 852 ? A 5.218 -1.124 -11.475 1.000 1 A 94.078 1 ATOM 194 C CZ . PHE 23 852 ? A 4.460 -1.262 -10.324 1.000 1 A 94.078 1 ATOM 195 N N . GLN 24 853 ? A 1.286 -2.368 -16.773 1.000 1 A 93.146 1 ATOM 196 C CA . GLN 24 853 ? A 0.419 -2.175 -17.931 1.000 1 A 93.146 1 ATOM 197 C C . GLN 24 853 ? A -0.688 -3.225 -17.969 1.000 1 A 93.146 1 ATOM 198 O O . GLN 24 853 ? A -1.846 -2.903 -18.244 1.000 1 A 93.146 1 ATOM 199 C CB . GLN 24 853 ? A 1.232 -2.224 -19.225 1.000 1 A 93.146 1 ATOM 200 C CG . GLN 24 853 ? A 2.070 -0.976 -19.472 1.000 1 A 93.146 1 ATOM 201 C CD . GLN 24 853 ? A 2.900 -1.067 -20.739 1.000 1 A 93.146 1 ATOM 202 O OE1 . GLN 24 853 ? A 2.816 -2.050 -21.482 1.000 1 A 93.146 1 ATOM 203 N NE2 . GLN 24 853 ? A 3.707 -0.044 -20.994 1.000 1 A 93.146 1 ATOM 204 N N . ARG 25 854 ? A -0.322 -4.413 -17.699 1.000 1 A 92.596 1 ATOM 205 C CA . ARG 25 854 ? A -1.277 -5.516 -17.737 1.000 1 A 92.596 1 ATOM 206 C C . ARG 25 854 ? A -2.347 -5.351 -16.663 1.000 1 A 92.596 1 ATOM 207 O O . ARG 25 854 ? A -3.519 -5.657 -16.895 1.000 1 A 92.596 1 ATOM 208 C CB . ARG 25 854 ? A -0.559 -6.856 -17.560 1.000 1 A 92.596 1 ATOM 209 C CG . ARG 25 854 ? A 0.195 -7.319 -18.796 1.000 1 A 92.596 1 ATOM 210 C CD . ARG 25 854 ? A 0.684 -8.754 -18.655 1.000 1 A 92.596 1 ATOM 211 N NE . ARG 25 854 ? A 1.986 -8.817 -17.998 1.000 1 A 92.596 1 ATOM 212 C CZ . ARG 25 854 ? A 2.515 -9.916 -17.468 1.000 1 A 92.596 1 ATOM 213 N NH1 . ARG 25 854 ? A 1.860 -11.071 -17.508 1.000 1 A 92.596 1 ATOM 214 N NH2 . ARG 25 854 ? A 3.708 -9.862 -16.894 1.000 1 A 92.596 1 ATOM 215 N N . ILE 26 855 ? A -1.911 -4.780 -15.518 1.000 1 A 92.700 1 ATOM 216 C CA . ILE 26 855 ? A -2.867 -4.624 -14.427 1.000 1 A 92.700 1 ATOM 217 C C . ILE 26 855 ? A -3.799 -3.451 -14.722 1.000 1 A 92.700 1 ATOM 218 O O . ILE 26 855 ? A -4.966 -3.463 -14.325 1.000 1 A 92.700 1 ATOM 219 C CB . ILE 26 855 ? A -2.151 -4.413 -13.074 1.000 1 A 92.700 1 ATOM 220 C CG1 . ILE 26 855 ? A -3.136 -4.602 -11.914 1.000 1 A 92.700 1 ATOM 221 C CG2 . ILE 26 855 ? A -1.498 -3.029 -13.019 1.000 1 A 92.700 1 ATOM 222 C CD1 . ILE 26 855 ? A -2.468 -4.875 -10.574 1.000 1 A 92.700 1 ATOM 223 N N . TYR 27 856 ? A -3.363 -2.517 -15.533 1.000 1 A 92.655 1 ATOM 224 C CA . TYR 27 856 ? A -4.172 -1.342 -15.836 1.000 1 A 92.655 1 ATOM 225 C C . TYR 27 856 ? A -5.033 -1.576 -17.071 1.000 1 A 92.655 1 ATOM 226 O O . TYR 27 856 ? A -5.940 -0.792 -17.361 1.000 1 A 92.655 1 ATOM 227 C CB . TYR 27 856 ? A -3.280 -0.114 -16.046 1.000 1 A 92.655 1 ATOM 228 C CG . TYR 27 856 ? A -2.642 0.397 -14.777 1.000 1 A 92.655 1 ATOM 229 C CD1 . TYR 27 856 ? A -3.276 0.247 -13.546 1.000 1 A 92.655 1 ATOM 230 C CD2 . TYR 27 856 ? A -1.405 1.031 -14.807 1.000 1 A 92.655 1 ATOM 231 C CE1 . TYR 27 856 ? A -2.692 0.718 -12.374 1.000 1 A 92.655 1 ATOM 232 C CE2 . TYR 27 856 ? A -0.812 1.506 -13.642 1.000 1 A 92.655 1 ATOM 233 C CZ . TYR 27 856 ? A -1.462 1.345 -12.432 1.000 1 A 92.655 1 ATOM 234 O OH . TYR 27 856 ? A -0.880 1.813 -11.276 1.000 1 A 92.655 1 ATOM 235 N N . ASN 28 857 ? A -4.693 -2.679 -17.817 1.000 1 A 87.249 1 ATOM 236 C CA . ASN 28 857 ? A -5.495 -2.958 -19.004 1.000 1 A 87.249 1 ATOM 237 C C . ASN 28 857 ? A -6.953 -3.225 -18.645 1.000 1 A 87.249 1 ATOM 238 O O . ASN 28 857 ? A -7.240 -3.865 -17.632 1.000 1 A 87.249 1 ATOM 239 C CB . ASN 28 857 ? A -4.913 -4.142 -19.779 1.000 1 A 87.249 1 ATOM 240 C CG . ASN 28 857 ? A -3.617 -3.797 -20.486 1.000 1 A 87.249 1 ATOM 241 O OD1 . ASN 28 857 ? A -3.181 -2.643 -20.481 1.000 1 A 87.249 1 ATOM 242 N ND2 . ASN 28 857 ? A -2.991 -4.796 -21.097 1.000 1 A 87.249 1 ATOM 243 N N . HIS 29 858 ? A -7.852 -2.579 -19.290 1.000 1 A 72.541 1 ATOM 244 C CA . HIS 29 858 ? A -9.293 -2.580 -19.065 1.000 1 A 72.541 1 ATOM 245 C C . HIS 29 858 ? A -9.970 -3.711 -19.833 1.000 1 A 72.541 1 ATOM 246 O O . HIS 29 858 ? A -9.444 -4.181 -20.844 1.000 1 A 72.541 1 ATOM 247 C CB . HIS 29 858 ? A -9.900 -1.236 -19.468 1.000 1 A 72.541 1 ATOM 248 C CG . HIS 29 858 ? A -9.301 -0.068 -18.752 1.000 1 A 72.541 1 ATOM 249 N ND1 . HIS 29 858 ? A -9.512 0.170 -17.411 1.000 1 A 72.541 1 ATOM 250 C CD2 . HIS 29 858 ? A -8.495 0.927 -19.192 1.000 1 A 72.541 1 ATOM 251 C CE1 . HIS 29 858 ? A -8.859 1.265 -17.056 1.000 1 A 72.541 1 ATOM 252 N NE2 . HIS 29 858 ? A -8.234 1.743 -18.119 1.000 1 A 72.541 1 ATOM 253 N N . PRO 30 859 ? A -10.987 -4.222 -19.184 1.000 1 A 63.272 1 ATOM 254 C CA . PRO 30 859 ? A -11.883 -5.150 -19.877 1.000 1 A 63.272 1 ATOM 255 C C . PRO 30 859 ? A -12.239 -4.685 -21.287 1.000 1 A 63.272 1 ATOM 256 O O . PRO 30 859 ? A -12.216 -3.484 -21.570 1.000 1 A 63.272 1 ATOM 257 C CB . PRO 30 859 ? A -13.125 -5.176 -18.982 1.000 1 A 63.272 1 ATOM 258 C CG . PRO 30 859 ? A -12.692 -4.521 -17.710 1.000 1 A 63.272 1 ATOM 259 C CD . PRO 30 859 ? A -11.486 -3.673 -17.996 1.000 1 A 63.272 1 ATOM 260 N N . PRO 31 860 ? A -12.509 -5.648 -22.104 1.000 1 A 68.591 1 ATOM 261 C CA . PRO 31 860 ? A -12.972 -6.963 -21.654 1.000 1 A 68.591 1 ATOM 262 C C . PRO 31 860 ? A -11.827 -7.949 -21.436 1.000 1 A 68.591 1 ATOM 263 O O . PRO 31 860 ? A -12.042 -9.045 -20.912 1.000 1 A 68.591 1 ATOM 264 C CB . PRO 31 860 ? A -13.881 -7.426 -22.795 1.000 1 A 68.591 1 ATOM 265 C CG . PRO 31 860 ? A -13.360 -6.724 -24.007 1.000 1 A 68.591 1 ATOM 266 C CD . PRO 31 860 ? A -12.644 -5.480 -23.567 1.000 1 A 68.591 1 ATOM 267 N N . HIS 32 861 ? A -10.553 -7.578 -21.392 1.000 1 A 62.708 1 ATOM 268 C CA . HIS 32 861 ? A -9.578 -8.638 -21.162 1.000 1 A 62.708 1 ATOM 269 C C . HIS 32 861 ? A -8.501 -8.192 -20.179 1.000 1 A 62.708 1 ATOM 270 O O . HIS 32 861 ? A -7.417 -7.770 -20.588 1.000 1 A 62.708 1 ATOM 271 C CB . HIS 32 861 ? A -8.937 -9.072 -22.482 1.000 1 A 62.708 1 ATOM 272 C CG . HIS 32 861 ? A -9.879 -9.783 -23.401 1.000 1 A 62.708 1 ATOM 273 N ND1 . HIS 32 861 ? A -10.405 -11.023 -23.113 1.000 1 A 62.708 1 ATOM 274 C CD2 . HIS 32 861 ? A -10.390 -9.423 -24.602 1.000 1 A 62.708 1 ATOM 275 C CE1 . HIS 32 861 ? A -11.201 -11.397 -24.101 1.000 1 A 62.708 1 ATOM 276 N NE2 . HIS 32 861 ? A -11.209 -10.444 -25.017 1.000 1 A 62.708 1 ATOM 277 N N . PRO 33 862 ? A -8.968 -7.732 -18.870 1.000 1 A 65.994 1 ATOM 278 C CA . PRO 33 862 ? A -7.773 -7.678 -18.023 1.000 1 A 65.994 1 ATOM 279 C C . PRO 33 862 ? A -6.874 -8.901 -18.192 1.000 1 A 65.994 1 ATOM 280 O O . PRO 33 862 ? A -7.366 -10.032 -18.230 1.000 1 A 65.994 1 ATOM 281 C CB . PRO 33 862 ? A -8.348 -7.613 -16.606 1.000 1 A 65.994 1 ATOM 282 C CG . PRO 33 862 ? A -9.788 -7.981 -16.761 1.000 1 A 65.994 1 ATOM 283 C CD . PRO 33 862 ? A -10.138 -7.934 -18.221 1.000 1 A 65.994 1 ATOM 284 N N . THR 34 863 ? A -5.632 -8.618 -18.517 1.000 1 A 82.149 1 ATOM 285 C CA . THR 34 863 ? A -4.752 -9.756 -18.759 1.000 1 A 82.149 1 ATOM 286 C C . THR 34 863 ? A -4.199 -10.300 -17.445 1.000 1 A 82.149 1 ATOM 287 O O . THR 34 863 ? A -3.782 -11.458 -17.373 1.000 1 A 82.149 1 ATOM 288 C CB . THR 34 863 ? A -3.587 -9.373 -19.690 1.000 1 A 82.149 1 ATOM 289 O OG1 . THR 34 863 ? A -2.903 -8.237 -19.147 1.000 1 A 82.149 1 ATOM 290 C CG2 . THR 34 863 ? A -4.090 -9.028 -21.088 1.000 1 A 82.149 1 ATOM 291 N N . MET 35 864 ? A -4.357 -9.329 -16.413 1.000 1 A 89.961 1 ATOM 292 C CA . MET 35 864 ? A -3.816 -9.773 -15.132 1.000 1 A 89.961 1 ATOM 293 C C . MET 35 864 ? A -4.534 -9.091 -13.972 1.000 1 A 89.961 1 ATOM 294 O O . MET 35 864 ? A -4.748 -7.877 -13.997 1.000 1 A 89.961 1 ATOM 295 C CB . MET 35 864 ? A -2.314 -9.494 -15.055 1.000 1 A 89.961 1 ATOM 296 C CG . MET 35 864 ? A -1.602 -10.269 -13.959 1.000 1 A 89.961 1 ATOM 297 S SD . MET 35 864 ? A 0.223 -10.092 -14.044 1.000 1 A 89.961 1 ATOM 298 C CE . MET 35 864 ? A 0.700 -10.952 -12.520 1.000 1 A 89.961 1 ATOM 299 N N . SER 36 865 ? A -4.972 -9.844 -13.046 1.000 1 A 93.473 1 ATOM 300 C CA . SER 36 865 ? A -5.646 -9.292 -11.875 1.000 1 A 93.473 1 ATOM 301 C C . SER 36 865 ? A -4.643 -8.881 -10.802 1.000 1 A 93.473 1 ATOM 302 O O . SER 36 865 ? A -3.491 -9.318 -10.822 1.000 1 A 93.473 1 ATOM 303 C CB . SER 36 865 ? A -6.635 -10.306 -11.298 1.000 1 A 93.473 1 ATOM 304 O OG . SER 36 865 ? A -5.951 -11.404 -10.721 1.000 1 A 93.473 1 ATOM 305 N N . VAL 37 866 ? A -5.071 -7.977 -9.874 1.000 1 A 95.652 1 ATOM 306 C CA . VAL 37 866 ? A -4.249 -7.516 -8.760 1.000 1 A 95.652 1 ATOM 307 C C . VAL 37 866 ? A -3.803 -8.709 -7.919 1.000 1 A 95.652 1 ATOM 308 O O . VAL 37 866 ? A -2.635 -8.803 -7.532 1.000 1 A 95.652 1 ATOM 309 C CB . VAL 37 866 ? A -5.004 -6.495 -7.880 1.000 1 A 95.652 1 ATOM 310 C CG1 . VAL 37 866 ? A -4.192 -6.152 -6.633 1.000 1 A 95.652 1 ATOM 311 C CG2 . VAL 37 866 ? A -5.320 -5.233 -8.680 1.000 1 A 95.652 1 ATOM 312 N N . ASP 38 867 ? A -4.658 -9.715 -7.699 1.000 1 A 96.769 1 ATOM 313 C CA . ASP 38 867 ? A -4.351 -10.905 -6.910 1.000 1 A 96.769 1 ATOM 314 C C . ASP 38 867 ? A -3.252 -11.733 -7.571 1.000 1 A 96.769 1 ATOM 315 O O . ASP 38 867 ? A -2.376 -12.268 -6.888 1.000 1 A 96.769 1 ATOM 316 C CB . ASP 38 867 ? A -5.607 -11.757 -6.714 1.000 1 A 96.769 1 ATOM 317 C CG . ASP 38 867 ? A -6.628 -11.107 -5.798 1.000 1 A 96.769 1 ATOM 318 O OD1 . ASP 38 867 ? A -6.272 -10.722 -4.663 1.000 1 A 96.769 1 ATOM 319 O OD2 . ASP 38 867 ? A -7.800 -10.980 -6.213 1.000 1 A 96.769 1 ATOM 320 N N . GLU 39 868 ? A -3.333 -11.821 -8.884 1.000 1 A 96.659 1 ATOM 321 C CA . GLU 39 868 ? A -2.311 -12.548 -9.631 1.000 1 A 96.659 1 ATOM 322 C C . GLU 39 868 ? A -0.944 -11.884 -9.486 1.000 1 A 96.659 1 ATOM 323 O O . GLU 39 868 ? A 0.066 -12.565 -9.296 1.000 1 A 96.659 1 ATOM 324 C CB . GLU 39 868 ? A -2.693 -12.646 -11.110 1.000 1 A 96.659 1 ATOM 325 C CG . GLU 39 868 ? A -3.847 -13.599 -11.385 1.000 1 A 96.659 1 ATOM 326 C CD . GLU 39 868 ? A -4.303 -13.587 -12.836 1.000 1 A 96.659 1 ATOM 327 O OE1 . GLU 39 868 ? A -4.805 -14.625 -13.323 1.000 1 A 96.659 1 ATOM 328 O OE2 . GLU 39 868 ? A -4.156 -12.530 -13.490 1.000 1 A 96.659 1 ATOM 329 N N . VAL 40 869 ? A -0.925 -10.574 -9.575 1.000 1 A 96.484 1 ATOM 330 C CA . VAL 40 869 ? A 0.320 -9.826 -9.436 1.000 1 A 96.484 1 ATOM 331 C C . VAL 40 869 ? A 0.867 -9.992 -8.020 1.000 1 A 96.484 1 ATOM 332 O O . VAL 40 869 ? A 2.070 -10.184 -7.831 1.000 1 A 96.484 1 ATOM 333 C CB . VAL 40 869 ? A 0.121 -8.328 -9.759 1.000 1 A 96.484 1 ATOM 334 C CG1 . VAL 40 869 ? A 1.364 -7.525 -9.380 1.000 1 A 96.484 1 ATOM 335 C CG2 . VAL 40 869 ? A -0.210 -8.141 -11.238 1.000 1 A 96.484 1 ATOM 336 N N . LEU 41 870 ? A 0.068 -9.952 -7.049 1.000 1 A 97.894 1 ATOM 337 C CA . LEU 41 870 ? A 0.492 -10.126 -5.665 1.000 1 A 97.894 1 ATOM 338 C C . LEU 41 870 ? A 1.090 -11.512 -5.450 1.000 1 A 97.894 1 ATOM 339 O O . LEU 41 870 ? A 2.105 -11.656 -4.765 1.000 1 A 97.894 1 ATOM 340 C CB . LEU 41 870 ? A -0.687 -9.913 -4.712 1.000 1 A 97.894 1 ATOM 341 C CG . LEU 41 870 ? A -1.176 -8.472 -4.550 1.000 1 A 97.894 1 ATOM 342 C CD1 . LEU 41 870 ? A -2.495 -8.443 -3.785 1.000 1 A 97.894 1 ATOM 343 C CD2 . LEU 41 870 ? A -0.123 -7.626 -3.843 1.000 1 A 97.894 1 ATOM 344 N N . GLU 42 871 ? A 0.442 -12.514 -6.007 1.000 1 A 97.791 1 ATOM 345 C CA . GLU 42 871 ? A 0.972 -13.871 -5.918 1.000 1 A 97.791 1 ATOM 346 C C . GLU 42 871 ? A 2.344 -13.972 -6.578 1.000 1 A 97.791 1 ATOM 347 O O . GLU 42 871 ? A 3.252 -14.609 -6.040 1.000 1 A 97.791 1 ATOM 348 C CB . GLU 42 871 ? A 0.004 -14.869 -6.559 1.000 1 A 97.791 1 ATOM 349 C CG . GLU 42 871 ? A 0.379 -16.326 -6.325 1.000 1 A 97.791 1 ATOM 350 C CD . GLU 42 871 ? A -0.589 -17.305 -6.970 1.000 1 A 97.791 1 ATOM 351 O OE1 . GLU 42 871 ? A -0.321 -18.528 -6.946 1.000 1 A 97.791 1 ATOM 352 O OE2 . GLU 42 871 ? A -1.623 -16.846 -7.505 1.000 1 A 97.791 1 ATOM 353 N N . MET 43 872 ? A 2.405 -13.330 -7.743 1.000 1 A 97.462 1 ATOM 354 C CA . MET 43 872 ? A 3.677 -13.290 -8.460 1.000 1 A 97.462 1 ATOM 355 C C . MET 43 872 ? A 4.746 -12.583 -7.634 1.000 1 A 97.462 1 ATOM 356 O O . MET 43 872 ? A 5.873 -13.069 -7.523 1.000 1 A 97.462 1 ATOM 357 C CB . MET 43 872 ? A 3.511 -12.589 -9.810 1.000 1 A 97.462 1 ATOM 358 C CG . MET 43 872 ? A 4.789 -12.530 -10.631 1.000 1 A 97.462 1 ATOM 359 S SD . MET 43 872 ? A 4.683 -11.327 -12.012 1.000 1 A 97.462 1 ATOM 360 C CE . MET 43 872 ? A 4.505 -9.782 -11.078 1.000 1 A 97.462 1 ATOM 361 N N . LEU 44 873 ? A 4.457 -11.431 -7.073 1.000 1 A 97.964 1 ATOM 362 C CA . LEU 44 873 ? A 5.412 -10.687 -6.258 1.000 1 A 97.964 1 ATOM 363 C C . LEU 44 873 ? A 5.873 -11.519 -5.066 1.000 1 A 97.964 1 ATOM 364 O O . LEU 44 873 ? A 7.048 -11.479 -4.692 1.000 1 A 97.964 1 ATOM 365 C CB . LEU 44 873 ? A 4.794 -9.374 -5.771 1.000 1 A 97.964 1 ATOM 366 C CG . LEU 44 873 ? A 4.665 -8.259 -6.810 1.000 1 A 97.964 1 ATOM 367 C CD1 . LEU 44 873 ? A 3.886 -7.083 -6.231 1.000 1 A 97.964 1 ATOM 368 C CD2 . LEU 44 873 ? A 6.042 -7.811 -7.287 1.000 1 A 97.964 1 ATOM 369 N N . GLN 45 874 ? A 4.957 -12.258 -4.498 1.000 1 A 97.868 1 ATOM 370 C CA . GLN 45 874 ? A 5.299 -13.130 -3.379 1.000 1 A 97.868 1 ATOM 371 C C . GLN 45 874 ? A 6.298 -14.203 -3.803 1.000 1 A 97.868 1 ATOM 372 O O . GLN 45 874 ? A 7.254 -14.489 -3.079 1.000 1 A 97.868 1 ATOM 373 C CB . GLN 45 874 ? A 4.042 -13.783 -2.803 1.000 1 A 97.868 1 ATOM 374 C CG . GLN 45 874 ? A 4.297 -14.609 -1.549 1.000 1 A 97.868 1 ATOM 375 C CD . GLN 45 874 ? A 4.692 -13.759 -0.356 1.000 1 A 97.868 1 ATOM 376 O OE1 . GLN 45 874 ? A 4.170 -12.657 -0.163 1.000 1 A 97.868 1 ATOM 377 N NE2 . GLN 45 874 ? A 5.618 -14.265 0.451 1.000 1 A 97.868 1 ATOM 378 N N . ARG 46 875 ? A 6.135 -14.768 -4.927 1.000 1 A 97.839 1 ATOM 379 C CA . ARG 46 875 ? A 7.044 -15.771 -5.472 1.000 1 A 97.839 1 ATOM 380 C C . ARG 46 875 ? A 8.415 -15.169 -5.762 1.000 1 A 97.839 1 ATOM 381 O O . ARG 46 875 ? A 9.443 -15.782 -5.466 1.000 1 A 97.839 1 ATOM 382 C CB . ARG 46 875 ? A 6.462 -16.388 -6.746 1.000 1 A 97.839 1 ATOM 383 C CG . ARG 46 875 ? A 5.277 -17.307 -6.500 1.000 1 A 97.839 1 ATOM 384 C CD . ARG 46 875 ? A 4.767 -17.928 -7.793 1.000 1 A 97.839 1 ATOM 385 N NE . ARG 46 875 ? A 3.525 -18.666 -7.584 1.000 1 A 97.839 1 ATOM 386 C CZ . ARG 46 875 ? A 2.534 -18.749 -8.468 1.000 1 A 97.839 1 ATOM 387 N NH1 . ARG 46 875 ? A 2.622 -18.138 -9.644 1.000 1 A 97.839 1 ATOM 388 N NH2 . ARG 46 875 ? A 1.447 -19.447 -8.174 1.000 1 A 97.839 1 ATOM 389 N N . PHE 47 876 ? A 8.395 -13.894 -6.303 1.000 1 A 97.876 1 ATOM 390 C CA . PHE 47 876 ? A 9.642 -13.230 -6.661 1.000 1 A 97.876 1 ATOM 391 C C . PHE 47 876 ? A 10.430 -12.848 -5.413 1.000 1 A 97.876 1 ATOM 392 O O . PHE 47 876 ? A 11.663 -12.854 -5.424 1.000 1 A 97.876 1 ATOM 393 C CB . PHE 47 876 ? A 9.365 -11.984 -7.508 1.000 1 A 97.876 1 ATOM 394 C CG . PHE 47 876 ? A 9.036 -12.287 -8.944 1.000 1 A 97.876 1 ATOM 395 C CD1 . PHE 47 876 ? A 8.927 -13.601 -9.384 1.000 1 A 97.876 1 ATOM 396 C CD2 . PHE 47 876 ? A 8.837 -11.259 -9.856 1.000 1 A 97.876 1 ATOM 397 C CE1 . PHE 47 876 ? A 8.622 -13.885 -10.714 1.000 1 A 97.876 1 ATOM 398 C CE2 . PHE 47 876 ? A 8.533 -11.535 -11.186 1.000 1 A 97.876 1 ATOM 399 C CZ . PHE 47 876 ? A 8.427 -12.849 -11.613 1.000 1 A 97.876 1 ATOM 400 N N . LYS 48 877 ? A 9.705 -12.498 -4.396 1.000 1 A 96.049 1 ATOM 401 C CA . LYS 48 877 ? A 10.349 -12.084 -3.153 1.000 1 A 96.049 1 ATOM 402 C C . LYS 48 877 ? A 11.248 -13.188 -2.605 1.000 1 A 96.049 1 ATOM 403 O O . LYS 48 877 ? A 12.355 -12.919 -2.134 1.000 1 A 96.049 1 ATOM 404 C CB . LYS 48 877 ? A 9.301 -11.695 -2.109 1.000 1 A 96.049 1 ATOM 405 C CG . LYS 48 877 ? A 9.883 -11.350 -0.747 1.000 1 A 96.049 1 ATOM 406 C CD . LYS 48 877 ? A 8.794 -10.964 0.245 1.000 1 A 96.049 1 ATOM 407 C CE . LYS 48 877 ? A 9.383 -10.457 1.555 1.000 1 A 96.049 1 ATOM 408 N NZ . LYS 48 877 ? A 10.071 -11.545 2.311 1.000 1 A 96.049 1 ATOM 409 N N . ASP 49 878 ? A 10.917 -14.477 -2.724 1.000 1 A 95.229 1 ATOM 410 C CA . ASP 49 878 ? A 11.661 -15.593 -2.147 1.000 1 A 95.229 1 ATOM 411 C C . ASP 49 878 ? A 12.388 -16.386 -3.230 1.000 1 A 95.229 1 ATOM 412 O O . ASP 49 878 ? A 12.882 -17.486 -2.976 1.000 1 A 95.229 1 ATOM 413 C CB . ASP 49 878 ? A 10.724 -16.513 -1.361 1.000 1 A 95.229 1 ATOM 414 C CG . ASP 49 878 ? A 10.071 -15.822 -0.177 1.000 1 A 95.229 1 ATOM 415 O OD1 . ASP 49 878 ? A 10.742 -15.020 0.508 1.000 1 A 95.229 1 ATOM 416 O OD2 . ASP 49 878 ? A 8.875 -16.085 0.076 1.000 1 A 95.229 1 ATOM 417 N N . SER 50 879 ? A 12.434 -15.796 -4.374 1.000 1 A 97.342 1 ATOM 418 C CA . SER 50 879 ? A 13.020 -16.506 -5.505 1.000 1 A 97.342 1 ATOM 419 C C . SER 50 879 ? A 14.542 -16.536 -5.410 1.000 1 A 97.342 1 ATOM 420 O O . SER 50 879 ? A 15.156 -15.598 -4.896 1.000 1 A 97.342 1 ATOM 421 C CB . SER 50 879 ? A 12.596 -15.857 -6.824 1.000 1 A 97.342 1 ATOM 422 O OG . SER 50 879 ? A 13.183 -16.528 -7.926 1.000 1 A 97.342 1 ATOM 423 N N . THR 51 880 ? A 15.214 -17.613 -5.836 1.000 1 A 97.117 1 ATOM 424 C CA . THR 51 880 ? A 16.666 -17.752 -5.871 1.000 1 A 97.117 1 ATOM 425 C C . THR 51 880 ? A 17.233 -17.183 -7.169 1.000 1 A 97.117 1 ATOM 426 O O . THR 51 880 ? A 18.448 -17.027 -7.305 1.000 1 A 97.117 1 ATOM 427 C CB . THR 51 880 ? A 17.089 -19.226 -5.726 1.000 1 A 97.117 1 ATOM 428 O OG1 . THR 51 880 ? A 16.452 -20.003 -6.748 1.000 1 A 97.117 1 ATOM 429 C CG2 . THR 51 880 ? A 16.692 -19.780 -4.361 1.000 1 A 97.117 1 ATOM 430 N N . ILE 52 881 ? A 16.311 -16.840 -8.094 1.000 1 A 97.696 1 ATOM 431 C CA . ILE 52 881 ? A 16.711 -16.261 -9.371 1.000 1 A 97.696 1 ATOM 432 C C . ILE 52 881 ? A 16.878 -14.750 -9.223 1.000 1 A 97.696 1 ATOM 433 O O . ILE 52 881 ? A 15.925 -14.044 -8.884 1.000 1 A 97.696 1 ATOM 434 C CB . ILE 52 881 ? A 15.687 -16.581 -10.483 1.000 1 A 97.696 1 ATOM 435 C CG1 . ILE 52 881 ? A 15.516 -18.097 -10.631 1.000 1 A 97.696 1 ATOM 436 C CG2 . ILE 52 881 ? A 16.113 -15.945 -11.810 1.000 1 A 97.696 1 ATOM 437 C CD1 . ILE 52 881 ? A 14.362 -18.504 -11.537 1.000 1 A 97.696 1 ATOM 438 N N . LYS 53 882 ? A 18.119 -14.253 -9.468 1.000 1 A 95.133 1 ATOM 439 C CA . LYS 53 882 ? A 18.489 -12.851 -9.295 1.000 1 A 95.133 1 ATOM 440 C C . LYS 53 882 ? A 17.572 -11.937 -10.102 1.000 1 A 95.133 1 ATOM 441 O O . LYS 53 882 ? A 17.126 -10.900 -9.605 1.000 1 A 95.133 1 ATOM 442 C CB . LYS 53 882 ? A 19.945 -12.626 -9.704 1.000 1 A 95.133 1 ATOM 443 C CG . LYS 53 882 ? A 20.427 -11.195 -9.518 1.000 1 A 95.133 1 ATOM 444 C CD . LYS 53 882 ? A 21.870 -11.026 -9.976 1.000 1 A 95.133 1 ATOM 445 C CE . LYS 53 882 ? A 22.317 -9.573 -9.893 1.000 1 A 95.133 1 ATOM 446 N NZ . LYS 53 882 ? A 23.678 -9.378 -10.478 1.000 1 A 95.133 1 ATOM 447 N N . ARG 54 883 ? A 17.276 -12.305 -11.194 1.000 1 A 95.467 1 ATOM 448 C CA . ARG 54 883 ? A 16.445 -11.501 -12.084 1.000 1 A 95.467 1 ATOM 449 C C . ARG 54 883 ? A 15.061 -11.275 -11.486 1.000 1 A 95.467 1 ATOM 450 O O . ARG 54 883 ? A 14.537 -10.160 -11.522 1.000 1 A 95.467 1 ATOM 451 C CB . ARG 54 883 ? A 16.321 -12.169 -13.455 1.000 1 A 95.467 1 ATOM 452 C CG . ARG 54 883 ? A 15.461 -11.396 -14.442 1.000 1 A 95.467 1 ATOM 453 C CD . ARG 54 883 ? A 15.529 -11.996 -15.840 1.000 1 A 95.467 1 ATOM 454 N NE . ARG 54 883 ? A 14.722 -11.237 -16.791 1.000 1 A 95.467 1 ATOM 455 C CZ . ARG 54 883 ? A 15.205 -10.345 -17.652 1.000 1 A 95.467 1 ATOM 456 N NH1 . ARG 54 883 ? A 16.505 -10.080 -17.697 1.000 1 A 95.467 1 ATOM 457 N NH2 . ARG 54 883 ? A 14.380 -9.712 -18.474 1.000 1 A 95.467 1 ATOM 458 N N . GLU 55 884 ? A 14.402 -12.242 -10.996 1.000 1 A 97.266 1 ATOM 459 C CA . GLU 55 884 ? A 13.086 -12.165 -10.371 1.000 1 A 97.266 1 ATOM 460 C C . GLU 55 884 ? A 13.106 -11.246 -9.153 1.000 1 A 97.266 1 ATOM 461 O O . GLU 55 884 ? A 12.200 -10.431 -8.969 1.000 1 A 97.266 1 ATOM 462 C CB . GLU 55 884 ? A 12.599 -13.560 -9.968 1.000 1 A 97.266 1 ATOM 463 C CG . GLU 55 884 ? A 12.257 -14.456 -11.150 1.000 1 A 97.266 1 ATOM 464 C CD . GLU 55 884 ? A 11.739 -15.824 -10.735 1.000 1 A 97.266 1 ATOM 465 O OE1 . GLU 55 884 ? A 11.125 -16.521 -11.574 1.000 1 A 97.266 1 ATOM 466 O OE2 . GLU 55 884 ? A 11.947 -16.201 -9.560 1.000 1 A 97.266 1 ATOM 467 N N . ARG 56 885 ? A 14.121 -11.357 -8.388 1.000 1 A 96.127 1 ATOM 468 C CA . ARG 56 885 ? A 14.256 -10.508 -7.209 1.000 1 A 96.127 1 ATOM 469 C C . ARG 56 885 ? A 14.424 -9.045 -7.604 1.000 1 A 96.127 1 ATOM 470 O O . ARG 56 885 ? A 13.891 -8.152 -6.942 1.000 1 A 96.127 1 ATOM 471 C CB . ARG 56 885 ? A 15.442 -10.960 -6.354 1.000 1 A 96.127 1 ATOM 472 C CG . ARG 56 885 ? A 15.241 -12.310 -5.685 1.000 1 A 96.127 1 ATOM 473 C CD . ARG 56 885 ? A 16.241 -12.536 -4.560 1.000 1 A 96.127 1 ATOM 474 N NE . ARG 56 885 ? A 17.616 -12.522 -5.049 1.000 1 A 96.127 1 ATOM 475 C CZ . ARG 56 885 ? A 18.266 -13.585 -5.516 1.000 1 A 96.127 1 ATOM 476 N NH1 . ARG 56 885 ? A 17.674 -14.773 -5.566 1.000 1 A 96.127 1 ATOM 477 N NH2 . ARG 56 885 ? A 19.516 -13.459 -5.937 1.000 1 A 96.127 1 ATOM 478 N N . GLU 57 886 ? A 15.109 -8.859 -8.703 1.000 1 A 95.470 1 ATOM 479 C CA . GLU 57 886 ? A 15.319 -7.501 -9.194 1.000 1 A 95.470 1 ATOM 480 C C . GLU 57 886 ? A 14.019 -6.894 -9.713 1.000 1 A 95.470 1 ATOM 481 O O . GLU 57 886 ? A 13.752 -5.709 -9.499 1.000 1 A 95.470 1 ATOM 482 C CB . GLU 57 886 ? A 16.383 -7.485 -10.295 1.000 1 A 95.470 1 ATOM 483 C CG . GLU 57 886 ? A 17.796 -7.734 -9.788 1.000 1 A 95.470 1 ATOM 484 C CD . GLU 57 886 ? A 18.852 -7.622 -10.876 1.000 1 A 95.470 1 ATOM 485 O OE1 . GLU 57 886 ? A 20.008 -7.256 -10.564 1.000 1 A 95.470 1 ATOM 486 O OE2 . GLU 57 886 ? A 18.521 -7.902 -12.049 1.000 1 A 95.470 1 ATOM 487 N N . VAL 58 887 ? A 13.270 -7.735 -10.430 1.000 1 A 96.477 1 ATOM 488 C CA . VAL 58 887 ? A 11.972 -7.269 -10.907 1.000 1 A 96.477 1 ATOM 489 C C . VAL 58 887 ? A 11.077 -6.926 -9.718 1.000 1 A 96.477 1 ATOM 490 O O . VAL 58 887 ? A 10.399 -5.895 -9.721 1.000 1 A 96.477 1 ATOM 491 C CB . VAL 58 887 ? A 11.286 -8.323 -11.804 1.000 1 A 96.477 1 ATOM 492 C CG1 . VAL 58 887 ? A 9.851 -7.908 -12.125 1.000 1 A 96.477 1 ATOM 493 C CG2 . VAL 58 887 ? A 12.085 -8.532 -13.089 1.000 1 A 96.477 1 ATOM 494 N N . PHE 59 888 ? A 11.028 -7.742 -8.708 1.000 1 A 97.149 1 ATOM 495 C CA . PHE 59 888 ? A 10.281 -7.506 -7.478 1.000 1 A 97.149 1 ATOM 496 C C . PHE 59 888 ? A 10.664 -6.166 -6.861 1.000 1 A 97.149 1 ATOM 497 O O . PHE 59 888 ? A 9.797 -5.342 -6.565 1.000 1 A 97.149 1 ATOM 498 C CB . PHE 59 888 ? A 10.525 -8.636 -6.474 1.000 1 A 97.149 1 ATOM 499 C CG . PHE 59 888 ? A 9.988 -8.351 -5.097 1.000 1 A 97.149 1 ATOM 500 C CD1 . PHE 59 888 ? A 10.835 -7.928 -4.080 1.000 1 A 97.149 1 ATOM 501 C CD2 . PHE 59 888 ? A 8.636 -8.506 -4.820 1.000 1 A 97.149 1 ATOM 502 C CE1 . PHE 59 888 ? A 10.341 -7.663 -2.804 1.000 1 A 97.149 1 ATOM 503 C CE2 . PHE 59 888 ? A 8.136 -8.243 -3.548 1.000 1 A 97.149 1 ATOM 504 C CZ . PHE 59 888 ? A 8.990 -7.822 -2.541 1.000 1 A 97.149 1 ATOM 505 N N . ASN 60 889 ? A 11.968 -5.923 -6.670 1.000 1 A 95.357 1 ATOM 506 C CA . ASN 60 889 ? A 12.465 -4.696 -6.056 1.000 1 A 95.357 1 ATOM 507 C C . ASN 60 889 ? A 12.150 -3.473 -6.913 1.000 1 A 95.357 1 ATOM 508 O O . ASN 60 889 ? A 11.809 -2.412 -6.386 1.000 1 A 95.357 1 ATOM 509 C CB . ASN 60 889 ? A 13.971 -4.794 -5.804 1.000 1 A 95.357 1 ATOM 510 C CG . ASN 60 889 ? A 14.310 -5.702 -4.638 1.000 1 A 95.357 1 ATOM 511 O OD1 . ASN 60 889 ? A 13.815 -5.514 -3.524 1.000 1 A 95.357 1 ATOM 512 N ND2 . ASN 60 889 ? A 15.157 -6.694 -4.886 1.000 1 A 95.357 1 ATOM 513 N N . CYS 61 890 ? A 12.281 -3.671 -8.212 1.000 1 A 95.311 1 ATOM 514 C CA . CYS 61 890 ? A 12.000 -2.574 -9.131 1.000 1 A 95.311 1 ATOM 515 C C . CYS 61 890 ? A 10.533 -2.168 -9.063 1.000 1 A 95.311 1 ATOM 516 O O . CYS 61 890 ? A 10.216 -0.978 -9.009 1.000 1 A 95.311 1 ATOM 517 C CB . CYS 61 890 ? A 12.364 -2.968 -10.563 1.000 1 A 95.311 1 ATOM 518 S SG . CYS 61 890 ? A 12.067 -1.662 -11.775 1.000 1 A 95.311 1 ATOM 519 N N . MET 62 891 ? A 9.685 -3.090 -9.015 1.000 1 A 96.151 1 ATOM 520 C CA . MET 62 891 ? A 8.254 -2.802 -8.975 1.000 1 A 96.151 1 ATOM 521 C C . MET 62 891 ? A 7.878 -2.090 -7.679 1.000 1 A 96.151 1 ATOM 522 O O . MET 62 891 ? A 7.142 -1.102 -7.700 1.000 1 A 96.151 1 ATOM 523 C CB . MET 62 891 ? A 7.442 -4.090 -9.118 1.000 1 A 96.151 1 ATOM 524 C CG . MET 62 891 ? A 7.432 -4.654 -10.530 1.000 1 A 96.151 1 ATOM 525 S SD . MET 62 891 ? A 6.378 -6.148 -10.682 1.000 1 A 96.151 1 ATOM 526 C CE . MET 62 891 ? A 4.732 -5.388 -10.610 1.000 1 A 96.151 1 ATOM 527 N N . LEU 63 892 ? A 8.332 -2.539 -6.555 1.000 1 A 95.779 1 ATOM 528 C CA . LEU 63 892 ? A 8.040 -1.927 -5.264 1.000 1 A 95.779 1 ATOM 529 C C . LEU 63 892 ? A 8.581 -0.503 -5.202 1.000 1 A 95.779 1 ATOM 530 O O . LEU 63 892 ? A 7.888 0.411 -4.749 1.000 1 A 95.779 1 ATOM 531 C CB . LEU 63 892 ? A 8.636 -2.762 -4.127 1.000 1 A 95.779 1 ATOM 532 C CG . LEU 63 892 ? A 7.955 -4.101 -3.841 1.000 1 A 95.779 1 ATOM 533 C CD1 . LEU 63 892 ? A 8.564 -4.751 -2.603 1.000 1 A 95.779 1 ATOM 534 C CD2 . LEU 63 892 ? A 6.452 -3.911 -3.666 1.000 1 A 95.779 1 ATOM 535 N N . ARG 64 893 ? A 9.744 -0.329 -5.714 1.000 1 A 93.058 1 ATOM 536 C CA . ARG 64 893 ? A 10.354 0.997 -5.714 1.000 1 A 93.058 1 ATOM 537 C C . ARG 64 893 ? A 9.532 1.978 -6.544 1.000 1 A 93.058 1 ATOM 538 O O . ARG 64 893 ? A 9.286 3.108 -6.116 1.000 1 A 93.058 1 ATOM 539 C CB . ARG 64 893 ? A 11.786 0.931 -6.247 1.000 1 A 93.058 1 ATOM 540 C CG . ARG 64 893 ? A 12.520 2.262 -6.211 1.000 1 A 93.058 1 ATOM 541 C CD . ARG 64 893 ? A 13.934 2.142 -6.761 1.000 1 A 93.058 1 ATOM 542 N NE . ARG 64 893 ? A 13.960 2.275 -8.215 1.000 1 A 93.058 1 ATOM 543 C CZ . ARG 64 893 ? A 14.311 1.307 -9.058 1.000 1 A 93.058 1 ATOM 544 N NH1 . ARG 64 893 ? A 14.674 0.113 -8.606 1.000 1 A 93.058 1 ATOM 545 N NH2 . ARG 64 893 ? A 14.299 1.536 -10.363 1.000 1 A 93.058 1 ATOM 546 N N . ASN 65 894 ? A 9.192 1.475 -7.738 1.000 1 A 94.393 1 ATOM 547 C CA . ASN 65 894 ? A 8.398 2.318 -8.625 1.000 1 A 94.393 1 ATOM 548 C C . ASN 65 894 ? A 7.070 2.712 -7.984 1.000 1 A 94.393 1 ATOM 549 O O . ASN 65 894 ? A 6.643 3.863 -8.088 1.000 1 A 94.393 1 ATOM 550 C CB . ASN 65 894 ? A 8.154 1.612 -9.961 1.000 1 A 94.393 1 ATOM 551 C CG . ASN 65 894 ? A 9.369 1.641 -10.867 1.000 1 A 94.393 1 ATOM 552 O OD1 . ASN 65 894 ? A 10.356 2.323 -10.580 1.000 1 A 94.393 1 ATOM 553 N ND2 . ASN 65 894 ? A 9.305 0.901 -11.967 1.000 1 A 94.393 1 ATOM 554 N N . LEU 66 895 ? A 6.485 1.812 -7.295 1.000 1 A 95.469 1 ATOM 555 C CA . LEU 66 895 ? A 5.192 2.047 -6.661 1.000 1 A 95.469 1 ATOM 556 C C . LEU 66 895 ? A 5.314 3.080 -5.545 1.000 1 A 95.469 1 ATOM 557 O O . LEU 66 895 ? A 4.525 4.025 -5.481 1.000 1 A 95.469 1 ATOM 558 C CB . LEU 66 895 ? A 4.624 0.740 -6.102 1.000 1 A 95.469 1 ATOM 559 C CG . LEU 66 895 ? A 3.177 0.786 -5.608 1.000 1 A 95.469 1 ATOM 560 C CD1 . LEU 66 895 ? A 2.229 1.063 -6.770 1.000 1 A 95.469 1 ATOM 561 C CD2 . LEU 66 895 ? A 2.808 -0.518 -4.909 1.000 1 A 95.469 1 ATOM 562 N N . PHE 67 896 ? A 6.342 2.977 -4.689 1.000 1 A 95.178 1 ATOM 563 C CA . PHE 67 896 ? A 6.522 3.883 -3.560 1.000 1 A 95.178 1 ATOM 564 C C . PHE 67 896 ? A 6.972 5.259 -4.037 1.000 1 A 95.178 1 ATOM 565 O O . PHE 67 896 ? A 6.537 6.280 -3.501 1.000 1 A 95.178 1 ATOM 566 C CB . PHE 67 896 ? A 7.540 3.312 -2.568 1.000 1 A 95.178 1 ATOM 567 C CG . PHE 67 896 ? A 6.942 2.362 -1.565 1.000 1 A 95.178 1 ATOM 568 C CD1 . PHE 67 896 ? A 6.726 2.761 -0.252 1.000 1 A 95.178 1 ATOM 569 C CD2 . PHE 67 896 ? A 6.597 1.069 -1.936 1.000 1 A 95.178 1 ATOM 570 C CE1 . PHE 67 896 ? A 6.173 1.884 0.679 1.000 1 A 95.178 1 ATOM 571 C CE2 . PHE 67 896 ? A 6.044 0.187 -1.012 1.000 1 A 95.178 1 ATOM 572 C CZ . PHE 67 896 ? A 5.834 0.596 0.295 1.000 1 A 95.178 1 ATOM 573 N N . GLU 68 897 ? A 7.744 5.343 -5.044 1.000 1 A 93.823 1 ATOM 574 C CA . GLU 68 897 ? A 8.223 6.622 -5.560 1.000 1 A 93.823 1 ATOM 575 C C . GLU 68 897 ? A 7.103 7.389 -6.257 1.000 1 A 93.823 1 ATOM 576 O O . GLU 68 897 ? A 7.085 8.622 -6.240 1.000 1 A 93.823 1 ATOM 577 C CB . GLU 68 897 ? A 9.393 6.409 -6.524 1.000 1 A 93.823 1 ATOM 578 C CG . GLU 68 897 ? A 10.711 6.096 -5.831 1.000 1 A 93.823 1 ATOM 579 C CD . GLU 68 897 ? A 11.886 6.000 -6.792 1.000 1 A 93.823 1 ATOM 580 O OE1 . GLU 68 897 ? A 13.044 5.910 -6.327 1.000 1 A 93.823 1 ATOM 581 O OE2 . GLU 68 897 ? A 11.645 6.017 -8.020 1.000 1 A 93.823 1 ATOM 582 N N . GLU 69 898 ? A 6.165 6.621 -6.675 1.000 1 A 94.027 1 ATOM 583 C CA . GLU 69 898 ? A 5.104 7.229 -7.473 1.000 1 A 94.027 1 ATOM 584 C C . GLU 69 898 ? A 3.975 7.748 -6.587 1.000 1 A 94.027 1 ATOM 585 O O . GLU 69 898 ? A 3.049 8.402 -7.071 1.000 1 A 94.027 1 ATOM 586 C CB . GLU 69 898 ? A 4.555 6.226 -8.490 1.000 1 A 94.027 1 ATOM 587 C CG . GLU 69 898 ? A 3.685 6.856 -9.568 1.000 1 A 94.027 1 ATOM 588 C CD . GLU 69 898 ? A 4.483 7.628 -10.607 1.000 1 A 94.027 1 ATOM 589 O OE1 . GLU 69 898 ? A 3.869 8.305 -11.463 1.000 1 A 94.027 1 ATOM 590 O OE2 . GLU 69 898 ? A 5.731 7.554 -10.565 1.000 1 A 94.027 1 ATOM 591 N N . TYR 70 899 ? A 4.020 7.554 -5.314 1.000 1 A 95.953 1 ATOM 592 C CA . TYR 70 899 ? A 2.960 7.933 -4.387 1.000 1 A 95.953 1 ATOM 593 C C . TYR 70 899 ? A 2.586 9.401 -4.558 1.000 1 A 95.953 1 ATOM 594 O O . TYR 70 899 ? A 1.403 9.751 -4.558 1.000 1 A 95.953 1 ATOM 595 C CB . TYR 70 899 ? A 3.390 7.669 -2.941 1.000 1 A 95.953 1 ATOM 596 C CG . TYR 70 899 ? A 2.371 8.103 -1.916 1.000 1 A 95.953 1 ATOM 597 C CD1 . TYR 70 899 ? A 2.468 9.343 -1.290 1.000 1 A 95.953 1 ATOM 598 C CD2 . TYR 70 899 ? A 1.309 7.273 -1.570 1.000 1 A 95.953 1 ATOM 599 C CE1 . TYR 70 899 ? A 1.533 9.747 -0.343 1.000 1 A 95.953 1 ATOM 600 C CE2 . TYR 70 899 ? A 0.367 7.666 -0.625 1.000 1 A 95.953 1 ATOM 601 C CZ . TYR 70 899 ? A 0.487 8.903 -0.018 1.000 1 A 95.953 1 ATOM 602 O OH . TYR 70 899 ? A -0.442 9.297 0.919 1.000 1 A 95.953 1 ATOM 603 N N . ARG 71 900 ? A 3.520 10.280 -4.759 1.000 1 A 94.882 1 ATOM 604 C CA . ARG 71 900 ? A 3.260 11.713 -4.858 1.000 1 A 94.882 1 ATOM 605 C C . ARG 71 900 ? A 2.444 12.037 -6.105 1.000 1 A 94.882 1 ATOM 606 O O . ARG 71 900 ? A 1.801 13.086 -6.177 1.000 1 A 94.882 1 ATOM 607 C CB . ARG 71 900 ? A 4.573 12.499 -4.872 1.000 1 A 94.882 1 ATOM 608 C CG . ARG 71 900 ? A 5.477 12.167 -6.048 1.000 1 A 94.882 1 ATOM 609 C CD . ARG 71 900 ? A 6.771 12.967 -6.008 1.000 1 A 94.882 1 ATOM 610 N NE . ARG 71 900 ? A 7.820 12.337 -6.805 1.000 1 A 94.882 1 ATOM 611 C CZ . ARG 71 900 ? A 7.975 12.496 -8.116 1.000 1 A 94.882 1 ATOM 612 N NH1 . ARG 71 900 ? A 7.149 13.273 -8.807 1.000 1 A 94.882 1 ATOM 613 N NH2 . ARG 71 900 ? A 8.964 11.875 -8.741 1.000 1 A 94.882 1 ATOM 614 N N . PHE 72 901 ? A 2.411 11.084 -7.000 1.000 1 A 96.099 1 ATOM 615 C CA . PHE 72 901 ? A 1.716 11.309 -8.262 1.000 1 A 96.099 1 ATOM 616 C C . PHE 72 901 ? A 0.356 10.622 -8.260 1.000 1 A 96.099 1 ATOM 617 O O . PHE 72 901 ? A -0.392 10.713 -9.236 1.000 1 A 96.099 1 ATOM 618 C CB . PHE 72 901 ? A 2.558 10.804 -9.438 1.000 1 A 96.099 1 ATOM 619 C CG . PHE 72 901 ? A 3.893 11.487 -9.566 1.000 1 A 96.099 1 ATOM 620 C CD1 . PHE 72 901 ? A 3.972 12.825 -9.933 1.000 1 A 96.099 1 ATOM 621 C CD2 . PHE 72 901 ? A 5.069 10.791 -9.320 1.000 1 A 96.099 1 ATOM 622 C CE1 . PHE 72 901 ? A 5.207 13.460 -10.052 1.000 1 A 96.099 1 ATOM 623 C CE2 . PHE 72 901 ? A 6.306 11.418 -9.437 1.000 1 A 96.099 1 ATOM 624 C CZ . PHE 72 901 ? A 6.373 12.753 -9.804 1.000 1 A 96.099 1 ATOM 625 N N . PHE 73 902 ? A -0.001 9.971 -7.179 1.000 1 A 96.749 1 ATOM 626 C CA . PHE 73 902 ? A -1.238 9.199 -7.124 1.000 1 A 96.749 1 ATOM 627 C C . PHE 73 902 ? A -2.449 10.102 -7.325 1.000 1 A 96.749 1 ATOM 628 O O . PHE 73 902 ? A -3.386 9.743 -8.040 1.000 1 A 96.749 1 ATOM 629 C CB . PHE 73 902 ? A -1.351 8.458 -5.788 1.000 1 A 96.749 1 ATOM 630 C CG . PHE 73 902 ? A -0.508 7.215 -5.710 1.000 1 A 96.749 1 ATOM 631 C CD1 . PHE 73 902 ? A 0.386 6.899 -6.726 1.000 1 A 96.749 1 ATOM 632 C CD2 . PHE 73 902 ? A -0.609 6.360 -4.620 1.000 1 A 96.749 1 ATOM 633 C CE1 . PHE 73 902 ? A 1.168 5.749 -6.657 1.000 1 A 96.749 1 ATOM 634 C CE2 . PHE 73 902 ? A 0.169 5.208 -4.543 1.000 1 A 96.749 1 ATOM 635 C CZ . PHE 73 902 ? A 1.056 4.904 -5.563 1.000 1 A 96.749 1 ATOM 636 N N . PRO 74 903 ? A -2.481 11.229 -6.690 1.000 1 A 96.720 1 ATOM 637 C CA . PRO 74 903 ? A -3.647 12.102 -6.843 1.000 1 A 96.720 1 ATOM 638 C C . PRO 74 903 ? A -3.927 12.462 -8.300 1.000 1 A 96.720 1 ATOM 639 O O . PRO 74 903 ? A -5.044 12.862 -8.638 1.000 1 A 96.720 1 ATOM 640 C CB . PRO 74 903 ? A -3.265 13.346 -6.037 1.000 1 A 96.720 1 ATOM 641 C CG . PRO 74 903 ? A -2.319 12.848 -4.993 1.000 1 A 96.720 1 ATOM 642 C CD . PRO 74 903 ? A -1.471 11.764 -5.595 1.000 1 A 96.720 1 ATOM 643 N N . GLN 75 904 ? A -3.046 12.214 -9.232 1.000 1 A 96.402 1 ATOM 644 C CA . GLN 75 904 ? A -3.203 12.563 -10.639 1.000 1 A 96.402 1 ATOM 645 C C . GLN 75 904 ? A -3.696 11.369 -11.451 1.000 1 A 96.402 1 ATOM 646 O O . GLN 75 904 ? A -4.022 11.506 -12.632 1.000 1 A 96.402 1 ATOM 647 C CB . GLN 75 904 ? A -1.884 13.080 -11.215 1.000 1 A 96.402 1 ATOM 648 C CG . GLN 75 904 ? A -1.426 14.402 -10.612 1.000 1 A 96.402 1 ATOM 649 C CD . GLN 75 904 ? A -0.030 14.797 -11.057 1.000 1 A 96.402 1 ATOM 650 O OE1 . GLN 75 904 ? A 0.367 14.544 -12.199 1.000 1 A 96.402 1 ATOM 651 N NE2 . GLN 75 904 ? A 0.724 15.421 -10.158 1.000 1 A 96.402 1 ATOM 652 N N . TYR 76 905 ? A -3.782 10.232 -10.770 1.000 1 A 96.113 1 ATOM 653 C CA . TYR 76 905 ? A -4.260 9.040 -11.460 1.000 1 A 96.113 1 ATOM 654 C C . TYR 76 905 ? A -5.755 9.135 -11.741 1.000 1 A 96.113 1 ATOM 655 O O . TYR 76 905 ? A -6.505 9.717 -10.954 1.000 1 A 96.113 1 ATOM 656 C CB . TYR 76 905 ? A -3.963 7.784 -10.635 1.000 1 A 96.113 1 ATOM 657 C CG . TYR 76 905 ? A -2.565 7.248 -10.827 1.000 1 A 96.113 1 ATOM 658 C CD1 . TYR 76 905 ? A -1.523 8.087 -11.215 1.000 1 A 96.113 1 ATOM 659 C CD2 . TYR 76 905 ? A -2.283 5.902 -10.622 1.000 1 A 96.113 1 ATOM 660 C CE1 . TYR 76 905 ? A -0.234 7.598 -11.396 1.000 1 A 96.113 1 ATOM 661 C CE2 . TYR 76 905 ? A -0.998 5.401 -10.799 1.000 1 A 96.113 1 ATOM 662 C CZ . TYR 76 905 ? A 0.019 6.255 -11.185 1.000 1 A 96.113 1 ATOM 663 O OH . TYR 76 905 ? A 1.293 5.765 -11.362 1.000 1 A 96.113 1 ATOM 664 N N . PRO 77 906 ? A -6.185 8.667 -12.889 1.000 1 A 95.948 1 ATOM 665 C CA . PRO 77 906 ? A -7.627 8.474 -13.064 1.000 1 A 95.948 1 ATOM 666 C C . PRO 77 906 ? A -8.231 7.553 -12.006 1.000 1 A 95.948 1 ATOM 667 O O . PRO 77 906 ? A -7.520 6.742 -11.408 1.000 1 A 95.948 1 ATOM 668 C CB . PRO 77 906 ? A -7.732 7.847 -14.456 1.000 1 A 95.948 1 ATOM 669 C CG . PRO 77 906 ? A -6.418 8.138 -15.106 1.000 1 A 95.948 1 ATOM 670 C CD . PRO 77 906 ? A -5.382 8.308 -14.032 1.000 1 A 95.948 1 ATOM 671 N N . ASP 78 907 ? A -9.537 7.714 -11.701 1.000 1 A 95.796 1 ATOM 672 C CA . ASP 78 907 ? A -10.222 7.065 -10.587 1.000 1 A 95.796 1 ATOM 673 C C . ASP 78 907 ? A -10.070 5.547 -10.659 1.000 1 A 95.796 1 ATOM 674 O O . ASP 78 907 ? A -9.723 4.905 -9.665 1.000 1 A 95.796 1 ATOM 675 C CB . ASP 78 907 ? A -11.704 7.445 -10.572 1.000 1 A 95.796 1 ATOM 676 C CG . ASP 78 907 ? A -11.940 8.898 -10.198 1.000 1 A 95.796 1 ATOM 677 O OD1 . ASP 78 907 ? A -11.100 9.488 -9.484 1.000 1 A 95.796 1 ATOM 678 O OD2 . ASP 78 907 ? A -12.975 9.457 -10.619 1.000 1 A 95.796 1 ATOM 679 N N . LYS 79 908 ? A -10.203 4.984 -11.764 1.000 1 A 93.833 1 ATOM 680 C CA . LYS 79 908 ? A -10.144 3.532 -11.909 1.000 1 A 93.833 1 ATOM 681 C C . LYS 79 908 ? A -8.743 3.006 -11.606 1.000 1 A 93.833 1 ATOM 682 O O . LYS 79 908 ? A -8.588 2.021 -10.882 1.000 1 A 93.833 1 ATOM 683 C CB . LYS 79 908 ? A -10.566 3.115 -13.318 1.000 1 A 93.833 1 ATOM 684 C CG . LYS 79 908 ? A -12.040 3.348 -13.617 1.000 1 A 93.833 1 ATOM 685 C CD . LYS 79 908 ? A -12.409 2.873 -15.016 1.000 1 A 93.833 1 ATOM 686 C CE . LYS 79 908 ? A -13.864 3.176 -15.345 1.000 1 A 93.833 1 ATOM 687 N NZ . LYS 79 908 ? A -14.283 2.549 -16.634 1.000 1 A 93.833 1 ATOM 688 N N . GLU 80 909 ? A -7.698 3.593 -12.190 1.000 1 A 95.151 1 ATOM 689 C CA . GLU 80 909 ? A -6.314 3.176 -11.988 1.000 1 A 95.151 1 ATOM 690 C C . GLU 80 909 ? A -5.869 3.417 -10.548 1.000 1 A 95.151 1 ATOM 691 O O . GLU 80 909 ? A -5.118 2.619 -9.983 1.000 1 A 95.151 1 ATOM 692 C CB . GLU 80 909 ? A -5.384 3.912 -12.956 1.000 1 A 95.151 1 ATOM 693 C CG . GLU 80 909 ? A -5.508 3.447 -14.400 1.000 1 A 95.151 1 ATOM 694 C CD . GLU 80 909 ? A -6.724 4.018 -15.112 1.000 1 A 95.151 1 ATOM 695 O OE1 . GLU 80 909 ? A -7.052 3.548 -16.225 1.000 1 A 95.151 1 ATOM 696 O OE2 . GLU 80 909 ? A -7.354 4.943 -14.552 1.000 1 A 95.151 1 ATOM 697 N N . LEU 81 910 ? A -6.395 4.514 -10.036 1.000 1 A 97.673 1 ATOM 698 C CA . LEU 81 910 ? A -6.071 4.802 -8.643 1.000 1 A 97.673 1 ATOM 699 C C . LEU 81 910 ? A -6.637 3.728 -7.720 1.000 1 A 97.673 1 ATOM 700 O O . LEU 81 910 ? A -5.972 3.307 -6.771 1.000 1 A 97.673 1 ATOM 701 C CB . LEU 81 910 ? A -6.614 6.176 -8.240 1.000 1 A 97.673 1 ATOM 702 C CG . LEU 81 910 ? A -6.211 6.684 -6.854 1.000 1 A 97.673 1 ATOM 703 C CD1 . LEU 81 910 ? A -4.692 6.769 -6.742 1.000 1 A 97.673 1 ATOM 704 C CD2 . LEU 81 910 ? A -6.849 8.040 -6.576 1.000 1 A 97.673 1 ATOM 705 N N . HIS 82 911 ? A -7.825 3.308 -7.977 1.000 1 A 97.663 1 ATOM 706 C CA . HIS 82 911 ? A -8.427 2.240 -7.188 1.000 1 A 97.663 1 ATOM 707 C C . HIS 82 911 ? A -7.611 0.955 -7.286 1.000 1 A 97.663 1 ATOM 708 O O . HIS 82 911 ? A -7.359 0.297 -6.274 1.000 1 A 97.663 1 ATOM 709 C CB . HIS 82 911 ? A -9.865 1.984 -7.643 1.000 1 A 97.663 1 ATOM 710 C CG . HIS 82 911 ? A -10.555 0.903 -6.873 1.000 1 A 97.663 1 ATOM 711 N ND1 . HIS 82 911 ? A -10.964 1.065 -5.567 1.000 1 A 97.663 1 ATOM 712 C CD2 . HIS 82 911 ? A -10.909 -0.354 -7.229 1.000 1 A 97.663 1 ATOM 713 C CE1 . HIS 82 911 ? A -11.541 -0.050 -5.152 1.000 1 A 97.663 1 ATOM 714 N NE2 . HIS 82 911 ? A -11.520 -0.927 -6.141 1.000 1 A 97.663 1 ATOM 715 N N . ILE 83 912 ? A -7.224 0.560 -8.513 1.000 1 A 96.915 1 ATOM 716 C CA . ILE 83 912 ? A -6.403 -0.626 -8.735 1.000 1 A 96.915 1 ATOM 717 C C . ILE 83 912 ? A -5.105 -0.512 -7.939 1.000 1 A 96.915 1 ATOM 718 O O . ILE 83 912 ? A -4.705 -1.455 -7.252 1.000 1 A 96.915 1 ATOM 719 C CB . ILE 83 912 ? A -6.096 -0.828 -10.235 1.000 1 A 96.915 1 ATOM 720 C CG1 . ILE 83 912 ? A -7.386 -1.120 -11.010 1.000 1 A 96.915 1 ATOM 721 C CG2 . ILE 83 912 ? A -5.074 -1.952 -10.431 1.000 1 A 96.915 1 ATOM 722 C CD1 . ILE 83 912 ? A -7.217 -1.107 -12.523 1.000 1 A 96.915 1 ATOM 723 N N . THR 84 913 ? A -4.526 0.641 -8.025 1.000 1 A 97.465 1 ATOM 724 C CA . THR 84 913 ? A -3.285 0.886 -7.300 1.000 1 A 97.465 1 ATOM 725 C C . THR 84 913 ? A -3.499 0.741 -5.796 1.000 1 A 97.465 1 ATOM 726 O O . THR 84 913 ? A -2.652 0.184 -5.094 1.000 1 A 97.465 1 ATOM 727 C CB . THR 84 913 ? A -2.726 2.287 -7.608 1.000 1 A 97.465 1 ATOM 728 O OG1 . THR 84 913 ? A -2.479 2.398 -9.015 1.000 1 A 97.465 1 ATOM 729 C CG2 . THR 84 913 ? A -1.423 2.538 -6.855 1.000 1 A 97.465 1 ATOM 730 N N . ALA 85 914 ? A -4.628 1.243 -5.309 1.000 1 A 98.384 1 ATOM 731 C CA . ALA 85 914 ? A -4.963 1.124 -3.892 1.000 1 A 98.384 1 ATOM 732 C C . ALA 85 914 ? A -5.057 -0.340 -3.471 1.000 1 A 98.384 1 ATOM 733 O O . ALA 85 914 ? A -4.530 -0.727 -2.426 1.000 1 A 98.384 1 ATOM 734 C CB . ALA 85 914 ? A -6.274 1.846 -3.592 1.000 1 A 98.384 1 ATOM 735 N N . CYS 86 915 ? A -5.674 -1.169 -4.298 1.000 1 A 98.269 1 ATOM 736 C CA . CYS 86 915 ? A -5.816 -2.593 -4.020 1.000 1 A 98.269 1 ATOM 737 C C . CYS 86 915 ? A -4.459 -3.289 -4.029 1.000 1 A 98.269 1 ATOM 738 O O . CYS 86 915 ? A -4.194 -4.151 -3.190 1.000 1 A 98.269 1 ATOM 739 C CB . CYS 86 915 ? A -6.742 -3.250 -5.043 1.000 1 A 98.269 1 ATOM 740 S SG . CYS 86 915 ? A -8.465 -2.726 -4.906 1.000 1 A 98.269 1 ATOM 741 N N . LEU 87 916 ? A -3.684 -2.907 -4.973 1.000 1 A 98.146 1 ATOM 742 C CA . LEU 87 916 ? A -2.337 -3.461 -5.050 1.000 1 A 98.146 1 ATOM 743 C C . LEU 87 916 ? A -1.519 -3.073 -3.823 1.000 1 A 98.146 1 ATOM 744 O O . LEU 87 916 ? A -0.895 -3.929 -3.192 1.000 1 A 98.146 1 ATOM 745 C CB . LEU 87 916 ? A -1.631 -2.980 -6.321 1.000 1 A 98.146 1 ATOM 746 C CG . LEU 87 916 ? A -0.200 -3.476 -6.530 1.000 1 A 98.146 1 ATOM 747 C CD1 . LEU 87 916 ? A -0.163 -5.000 -6.539 1.000 1 A 98.146 1 ATOM 748 C CD2 . LEU 87 916 ? A 0.377 -2.914 -7.826 1.000 1 A 98.146 1 ATOM 749 N N . PHE 88 917 ? A -1.562 -1.761 -3.488 1.000 1 A 98.307 1 ATOM 750 C CA . PHE 88 917 ? A -0.814 -1.232 -2.353 1.000 1 A 98.307 1 ATOM 751 C C . PHE 88 917 ? A -1.245 -1.910 -1.058 1.000 1 A 98.307 1 ATOM 752 O O . PHE 88 917 ? A -0.404 -2.356 -0.275 1.000 1 A 98.307 1 ATOM 753 C CB . PHE 88 917 ? A -1.004 0.284 -2.241 1.000 1 A 98.307 1 ATOM 754 C CG . PHE 88 917 ? A 0.092 0.978 -1.478 1.000 1 A 98.307 1 ATOM 755 C CD1 . PHE 88 917 ? A 0.009 1.131 -0.100 1.000 1 A 98.307 1 ATOM 756 C CD2 . PHE 88 917 ? A 1.206 1.478 -2.141 1.000 1 A 98.307 1 ATOM 757 C CE1 . PHE 88 917 ? A 1.022 1.773 0.609 1.000 1 A 98.307 1 ATOM 758 C CE2 . PHE 88 917 ? A 2.222 2.121 -1.439 1.000 1 A 98.307 1 ATOM 759 C CZ . PHE 88 917 ? A 2.127 2.268 -0.065 1.000 1 A 98.307 1 ATOM 760 N N . GLY 89 918 ? A -2.518 -1.959 -0.809 1.000 1 A 98.437 1 ATOM 761 C CA . GLY 89 918 ? A -3.052 -2.642 0.359 1.000 1 A 98.437 1 ATOM 762 C C . GLY 89 918 ? A -2.715 -4.120 0.392 1.000 1 A 98.437 1 ATOM 763 O O . GLY 89 918 ? A -2.390 -4.665 1.450 1.000 1 A 98.437 1 ATOM 764 N N . GLY 90 919 ? A -2.767 -4.803 -0.723 1.000 1 A 98.393 1 ATOM 765 C CA . GLY 90 919 ? A -2.392 -6.203 -0.846 1.000 1 A 98.393 1 ATOM 766 C C . GLY 90 919 ? A -0.941 -6.465 -0.487 1.000 1 A 98.393 1 ATOM 767 O O . GLY 90 919 ? A -0.621 -7.493 0.114 1.000 1 A 98.393 1 ATOM 768 N N . ILE 91 920 ? A -0.095 -5.528 -0.893 1.000 1 A 98.348 1 ATOM 769 C CA . ILE 91 920 ? A 1.326 -5.621 -0.574 1.000 1 A 98.348 1 ATOM 770 C C . ILE 91 920 ? A 1.514 -5.646 0.941 1.000 1 A 98.348 1 ATOM 771 O O . ILE 91 920 ? A 2.289 -6.450 1.463 1.000 1 A 98.348 1 ATOM 772 C CB . ILE 91 920 ? A 2.122 -4.452 -1.195 1.000 1 A 98.348 1 ATOM 773 C CG1 . ILE 91 920 ? A 2.221 -4.620 -2.715 1.000 1 A 98.348 1 ATOM 774 C CG2 . ILE 91 920 ? A 3.514 -4.351 -0.563 1.000 1 A 98.348 1 ATOM 775 C CD1 . ILE 91 920 ? A 2.731 -3.384 -3.444 1.000 1 A 98.348 1 ATOM 776 N N . ILE 92 921 ? A 0.790 -4.854 1.664 1.000 1 A 98.330 1 ATOM 777 C CA . ILE 92 921 ? A 0.864 -4.810 3.120 1.000 1 A 98.330 1 ATOM 778 C C . ILE 92 921 ? A 0.282 -6.095 3.705 1.000 1 A 98.330 1 ATOM 779 O O . ILE 92 921 ? A 0.889 -6.717 4.580 1.000 1 A 98.330 1 ATOM 780 C CB . ILE 92 921 ? A 0.123 -3.579 3.687 1.000 1 A 98.330 1 ATOM 781 C CG1 . ILE 92 921 ? A 0.774 -2.285 3.184 1.000 1 A 98.330 1 ATOM 782 C CG2 . ILE 92 921 ? A 0.099 -3.621 5.218 1.000 1 A 98.330 1 ATOM 783 C CD1 . ILE 92 921 ? A -0.006 -1.024 3.531 1.000 1 A 98.330 1 ATOM 784 N N . GLU 93 922 ? A -0.842 -6.497 3.198 1.000 1 A 98.126 1 ATOM 785 C CA . GLU 93 922 ? A -1.553 -7.668 3.702 1.000 1 A 98.126 1 ATOM 786 C C . GLU 93 922 ? A -0.692 -8.923 3.597 1.000 1 A 98.126 1 ATOM 787 O O . GLU 93 922 ? A -0.642 -9.727 4.530 1.000 1 A 98.126 1 ATOM 788 C CB . GLU 93 922 ? A -2.867 -7.866 2.942 1.000 1 A 98.126 1 ATOM 789 C CG . GLU 93 922 ? A -3.681 -9.060 3.422 1.000 1 A 98.126 1 ATOM 790 C CD . GLU 93 922 ? A -4.933 -9.303 2.596 1.000 1 A 98.126 1 ATOM 791 O OE1 . GLU 93 922 ? A -5.805 -10.089 3.033 1.000 1 A 98.126 1 ATOM 792 O OE2 . GLU 93 922 ? A -5.043 -8.705 1.503 1.000 1 A 98.126 1 ATOM 793 N N . LYS 94 923 ? A 0.024 -9.105 2.522 1.000 1 A 97.785 1 ATOM 794 C CA . LYS 94 923 ? A 0.785 -10.324 2.269 1.000 1 A 97.785 1 ATOM 795 C C . LYS 94 923 ? A 2.198 -10.219 2.838 1.000 1 A 97.785 1 ATOM 796 O O . LYS 94 923 ? A 3.013 -11.126 2.661 1.000 1 A 97.785 1 ATOM 797 C CB . LYS 94 923 ? A 0.845 -10.619 0.770 1.000 1 A 97.785 1 ATOM 798 C CG . LYS 94 923 ? A -0.517 -10.834 0.127 1.000 1 A 97.785 1 ATOM 799 C CD . LYS 94 923 ? A -1.055 -12.231 0.410 1.000 1 A 97.785 1 ATOM 800 C CE . LYS 94 923 ? A -2.262 -12.553 -0.460 1.000 1 A 97.785 1 ATOM 801 N NZ . LYS 94 923 ? A -2.948 -13.803 -0.015 1.000 1 A 97.785 1 ATOM 802 N N . GLY 95 924 ? A 2.534 -9.064 3.441 1.000 1 A 97.220 1 ATOM 803 C CA . GLY 95 924 ? A 3.836 -8.879 4.061 1.000 1 A 97.220 1 ATOM 804 C C . GLY 95 924 ? A 4.972 -8.816 3.058 1.000 1 A 97.220 1 ATOM 805 O O . GLY 95 924 ? A 6.035 -9.399 3.278 1.000 1 A 97.220 1 ATOM 806 N N . LEU 96 925 ? A 4.698 -8.169 1.900 1.000 1 A 97.440 1 ATOM 807 C CA . LEU 96 925 ? A 5.713 -8.062 0.859 1.000 1 A 97.440 1 ATOM 808 C C . LEU 96 925 ? A 6.710 -6.955 1.183 1.000 1 A 97.440 1 ATOM 809 O O . LEU 96 925 ? A 7.784 -6.884 0.580 1.000 1 A 97.440 1 ATOM 810 C CB . LEU 96 925 ? A 5.061 -7.796 -0.501 1.000 1 A 97.440 1 ATOM 811 C CG . LEU 96 925 ? A 4.143 -8.895 -1.039 1.000 1 A 97.440 1 ATOM 812 C CD1 . LEU 96 925 ? A 3.607 -8.512 -2.414 1.000 1 A 97.440 1 ATOM 813 C CD2 . LEU 96 925 ? A 4.882 -10.228 -1.100 1.000 1 A 97.440 1 ATOM 814 N N . VAL 97 926 ? A 6.293 -6.097 2.097 1.000 1 A 96.319 1 ATOM 815 C CA . VAL 97 926 ? A 7.197 -5.092 2.645 1.000 1 A 96.319 1 ATOM 816 C C . VAL 97 926 ? A 7.347 -5.297 4.151 1.000 1 A 96.319 1 ATOM 817 O O . VAL 97 926 ? A 6.395 -5.694 4.827 1.000 1 A 96.319 1 ATOM 818 C CB . VAL 97 926 ? A 6.699 -3.659 2.350 1.000 1 A 96.319 1 ATOM 819 C CG1 . VAL 97 926 ? A 6.734 -3.374 0.850 1.000 1 A 96.319 1 ATOM 820 C CG2 . VAL 97 926 ? A 5.288 -3.462 2.901 1.000 1 A 96.319 1 ATOM 821 N N . THR 98 927 ? A 8.673 -5.161 4.644 1.000 1 A 94.120 1 ATOM 822 C CA . THR 98 927 ? A 8.928 -5.399 6.060 1.000 1 A 94.120 1 ATOM 823 C C . THR 98 927 ? A 9.699 -4.234 6.674 1.000 1 A 94.120 1 ATOM 824 O O . THR 98 927 ? A 10.298 -3.431 5.955 1.000 1 A 94.120 1 ATOM 825 C CB . THR 98 927 ? A 9.712 -6.707 6.274 1.000 1 A 94.120 1 ATOM 826 O OG1 . THR 98 927 ? A 10.962 -6.627 5.577 1.000 1 A 94.120 1 ATOM 827 C CG2 . THR 98 927 ? A 8.930 -7.909 5.755 1.000 1 A 94.120 1 ATOM 828 N N . TYR 99 928 ? A 9.550 -4.107 8.092 1.000 1 A 93.275 1 ATOM 829 C CA . TYR 99 928 ? A 10.313 -3.186 8.927 1.000 1 A 93.275 1 ATOM 830 C C . TYR 99 928 ? A 10.117 -1.745 8.469 1.000 1 A 93.275 1 ATOM 831 O O . TYR 99 928 ? A 9.020 -1.194 8.585 1.000 1 A 93.275 1 ATOM 832 C CB . TYR 99 928 ? A 11.802 -3.544 8.903 1.000 1 A 93.275 1 ATOM 833 C CG . TYR 99 928 ? A 12.092 -4.962 9.331 1.000 1 A 93.275 1 ATOM 834 C CD1 . TYR 99 928 ? A 11.986 -5.342 10.667 1.000 1 A 93.275 1 ATOM 835 C CD2 . TYR 99 928 ? A 12.474 -5.923 8.402 1.000 1 A 93.275 1 ATOM 836 C CE1 . TYR 99 928 ? A 12.255 -6.646 11.067 1.000 1 A 93.275 1 ATOM 837 C CE2 . TYR 99 928 ? A 12.745 -7.231 8.791 1.000 1 A 93.275 1 ATOM 838 C CZ . TYR 99 928 ? A 12.633 -7.583 10.123 1.000 1 A 93.275 1 ATOM 839 O OH . TYR 99 928 ? A 12.900 -8.876 10.514 1.000 1 A 93.275 1 ATOM 840 N N . MET 100 929 ? A 11.148 -1.126 7.976 1.000 1 A 94.146 1 ATOM 841 C CA . MET 100 929 ? A 11.129 0.288 7.613 1.000 1 A 94.146 1 ATOM 842 C C . MET 100 929 ? A 10.175 0.538 6.450 1.000 1 A 94.146 1 ATOM 843 O O . MET 100 929 ? A 9.377 1.476 6.486 1.000 1 A 94.146 1 ATOM 844 C CB . MET 100 929 ? A 12.534 0.771 7.251 1.000 1 A 94.146 1 ATOM 845 C CG . MET 100 929 ? A 12.733 2.268 7.428 1.000 1 A 94.146 1 ATOM 846 S SD . MET 100 929 ? A 12.793 2.765 9.194 1.000 1 A 94.146 1 ATOM 847 C CE . MET 100 929 ? A 14.433 2.135 9.648 1.000 1 A 94.146 1 ATOM 848 N N . ALA 101 930 ? A 10.118 -0.321 5.468 1.000 1 A 94.959 1 ATOM 849 C CA . ALA 101 930 ? A 9.250 -0.175 4.303 1.000 1 A 94.959 1 ATOM 850 C C . ALA 101 930 ? A 7.781 -0.314 4.692 1.000 1 A 94.959 1 ATOM 851 O O . ALA 101 930 ? A 6.923 0.400 4.168 1.000 1 A 94.959 1 ATOM 852 C CB . ALA 101 930 ? A 9.614 -1.204 3.235 1.000 1 A 94.959 1 ATOM 853 N N . LEU 102 931 ? A 7.578 -1.236 5.636 1.000 1 A 97.246 1 ATOM 854 C CA . LEU 102 931 ? A 6.217 -1.400 6.134 1.000 1 A 97.246 1 ATOM 855 C C . LEU 102 931 ? A 5.740 -0.135 6.839 1.000 1 A 97.246 1 ATOM 856 O O . LEU 102 931 ? A 4.615 0.317 6.618 1.000 1 A 97.246 1 ATOM 857 C CB . LEU 102 931 ? A 6.136 -2.594 7.089 1.000 1 A 97.246 1 ATOM 858 C CG . LEU 102 931 ? A 4.784 -2.830 7.765 1.000 1 A 97.246 1 ATOM 859 C CD1 . LEU 102 931 ? A 3.704 -3.077 6.717 1.000 1 A 97.246 1 ATOM 860 C CD2 . LEU 102 931 ? A 4.870 -4.001 8.738 1.000 1 A 97.246 1 ATOM 861 N N . GLY 103 932 ? A 6.587 0.411 7.678 1.000 1 A 97.448 1 ATOM 862 C CA . GLY 103 932 ? A 6.265 1.671 8.330 1.000 1 A 97.448 1 ATOM 863 C C . GLY 103 932 ? A 5.911 2.776 7.352 1.000 1 A 97.448 1 ATOM 864 O O . GLY 103 932 ? A 4.924 3.489 7.544 1.000 1 A 97.448 1 ATOM 865 N N . LEU 104 933 ? A 6.683 2.889 6.318 1.000 1 A 97.001 1 ATOM 866 C CA . LEU 104 933 ? A 6.437 3.896 5.292 1.000 1 A 97.001 1 ATOM 867 C C . LEU 104 933 ? A 5.113 3.635 4.580 1.000 1 A 97.001 1 ATOM 868 O O . LEU 104 933 ? A 4.324 4.558 4.370 1.000 1 A 97.001 1 ATOM 869 C CB . LEU 104 933 ? A 7.581 3.916 4.275 1.000 1 A 97.001 1 ATOM 870 C CG . LEU 104 933 ? A 7.565 5.059 3.258 1.000 1 A 97.001 1 ATOM 871 C CD1 . LEU 104 933 ? A 7.667 6.403 3.971 1.000 1 A 97.001 1 ATOM 872 C CD2 . LEU 104 933 ? A 8.697 4.894 2.250 1.000 1 A 97.001 1 ATOM 873 N N . ALA 105 934 ? A 4.859 2.395 4.233 1.000 1 A 98.079 1 ATOM 874 C CA . ALA 105 934 ? A 3.621 2.021 3.554 1.000 1 A 98.079 1 ATOM 875 C C . ALA 105 934 ? A 2.402 2.371 4.403 1.000 1 A 98.079 1 ATOM 876 O O . ALA 105 934 ? A 1.437 2.954 3.904 1.000 1 A 98.079 1 ATOM 877 C CB . ALA 105 934 ? A 3.624 0.531 3.223 1.000 1 A 98.079 1 ATOM 878 N N . LEU 106 935 ? A 2.437 2.014 5.683 1.000 1 A 98.445 1 ATOM 879 C CA . LEU 106 935 ? A 1.343 2.324 6.597 1.000 1 A 98.445 1 ATOM 880 C C . LEU 106 935 ? A 1.143 3.832 6.712 1.000 1 A 98.445 1 ATOM 881 O O . LEU 106 935 ? A 0.007 4.312 6.718 1.000 1 A 98.445 1 ATOM 882 C CB . LEU 106 935 ? A 1.615 1.727 7.981 1.000 1 A 98.445 1 ATOM 883 C CG . LEU 106 935 ? A 1.546 0.203 8.086 1.000 1 A 98.445 1 ATOM 884 C CD1 . LEU 106 935 ? A 1.973 -0.252 9.478 1.000 1 A 98.445 1 ATOM 885 C CD2 . LEU 106 935 ? A 0.141 -0.293 7.764 1.000 1 A 98.445 1 ATOM 886 N N . ARG 107 936 ? A 2.222 4.548 6.793 1.000 1 A 97.949 1 ATOM 887 C CA . ARG 107 936 ? A 2.141 6.003 6.869 1.000 1 A 97.949 1 ATOM 888 C C . ARG 107 936 ? A 1.492 6.582 5.616 1.000 1 A 97.949 1 ATOM 889 O O . ARG 107 936 ? A 0.715 7.536 5.698 1.000 1 A 97.949 1 ATOM 890 C CB . ARG 107 936 ? A 3.532 6.610 7.066 1.000 1 A 97.949 1 ATOM 891 C CG . ARG 107 936 ? A 3.517 8.094 7.395 1.000 1 A 97.949 1 ATOM 892 C CD . ARG 107 936 ? A 4.894 8.595 7.807 1.000 1 A 97.949 1 ATOM 893 N NE . ARG 107 936 ? A 5.851 8.505 6.709 1.000 1 A 97.949 1 ATOM 894 C CZ . ARG 107 936 ? A 5.954 9.388 5.719 1.000 1 A 97.949 1 ATOM 895 N NH1 . ARG 107 936 ? A 5.157 10.449 5.670 1.000 1 A 97.949 1 ATOM 896 N NH2 . ARG 107 936 ? A 6.861 9.208 4.770 1.000 1 A 97.949 1 ATOM 897 N N . TYR 108 937 ? A 1.803 6.081 4.428 1.000 1 A 98.429 1 ATOM 898 C CA . TYR 108 937 ? A 1.198 6.556 3.188 1.000 1 A 98.429 1 ATOM 899 C C . TYR 108 937 ? A -0.317 6.395 3.224 1.000 1 A 98.429 1 ATOM 900 O O . TYR 108 937 ? A -1.054 7.310 2.847 1.000 1 A 98.429 1 ATOM 901 C CB . TYR 108 937 ? A 1.775 5.805 1.985 1.000 1 A 98.429 1 ATOM 902 C CG . TYR 108 937 ? A 3.126 6.314 1.542 1.000 1 A 98.429 1 ATOM 903 C CD1 . TYR 108 937 ? A 3.680 7.459 2.109 1.000 1 A 98.429 1 ATOM 904 C CD2 . TYR 108 937 ? A 3.849 5.652 0.556 1.000 1 A 98.429 1 ATOM 905 C CE1 . TYR 108 937 ? A 4.923 7.933 1.703 1.000 1 A 98.429 1 ATOM 906 C CE2 . TYR 108 937 ? A 5.093 6.117 0.142 1.000 1 A 98.429 1 ATOM 907 C CZ . TYR 108 937 ? A 5.621 7.256 0.720 1.000 1 A 98.429 1 ATOM 908 O OH . TYR 108 937 ? A 6.852 7.721 0.314 1.000 1 A 98.429 1 ATOM 909 N N . VAL 109 938 ? A -0.752 5.228 3.659 1.000 1 A 98.609 1 ATOM 910 C CA . VAL 109 938 ? A -2.187 4.975 3.741 1.000 1 A 98.609 1 ATOM 911 C C . VAL 109 938 ? A -2.818 5.909 4.771 1.000 1 A 98.609 1 ATOM 912 O O . VAL 109 938 ? A -3.880 6.487 4.527 1.000 1 A 98.609 1 ATOM 913 C CB . VAL 109 938 ? A -2.484 3.503 4.104 1.000 1 A 98.609 1 ATOM 914 C CG1 . VAL 109 938 ? A -3.984 3.287 4.295 1.000 1 A 98.609 1 ATOM 915 C CG2 . VAL 109 938 ? A -1.940 2.568 3.026 1.000 1 A 98.609 1 ATOM 916 N N . LEU 110 939 ? A -2.211 6.057 5.891 1.000 1 A 98.469 1 ATOM 917 C CA . LEU 110 939 ? A -2.691 6.965 6.927 1.000 1 A 98.469 1 ATOM 918 C C . LEU 110 939 ? A -2.785 8.392 6.397 1.000 1 A 98.469 1 ATOM 919 O O . LEU 110 939 ? A -3.797 9.068 6.599 1.000 1 A 98.469 1 ATOM 920 C CB . LEU 110 939 ? A -1.767 6.922 8.147 1.000 1 A 98.469 1 ATOM 921 C CG . LEU 110 939 ? A -2.134 7.849 9.308 1.000 1 A 98.469 1 ATOM 922 C CD1 . LEU 110 939 ? A -3.530 7.523 9.826 1.000 1 A 98.469 1 ATOM 923 C CD2 . LEU 110 939 ? A -1.103 7.738 10.426 1.000 1 A 98.469 1 ATOM 924 N N . GLU 111 940 ? A -1.797 8.848 5.675 1.000 1 A 98.230 1 ATOM 925 C CA . GLU 111 940 ? A -1.783 10.188 5.096 1.000 1 A 98.230 1 ATOM 926 C C . GLU 111 940 ? A -2.931 10.373 4.107 1.000 1 A 98.230 1 ATOM 927 O O . GLU 111 940 ? A -3.560 11.433 4.071 1.000 1 A 98.230 1 ATOM 928 C CB . GLU 111 940 ? A -0.445 10.461 4.405 1.000 1 A 98.230 1 ATOM 929 C CG . GLU 111 940 ? A -0.316 11.872 3.850 1.000 1 A 98.230 1 ATOM 930 C CD . GLU 111 940 ? A 1.048 12.155 3.240 1.000 1 A 98.230 1 ATOM 931 O OE1 . GLU 111 940 ? A 1.264 13.278 2.731 1.000 1 A 98.230 1 ATOM 932 O OE2 . GLU 111 940 ? A 1.907 11.245 3.270 1.000 1 A 98.230 1 ATOM 933 N N . ALA 112 941 ? A -3.097 9.401 3.297 1.000 1 A 98.459 1 ATOM 934 C CA . ALA 112 941 ? A -4.189 9.444 2.328 1.000 1 A 98.459 1 ATOM 935 C C . ALA 112 941 ? A -5.539 9.567 3.029 1.000 1 A 98.459 1 ATOM 936 O O . ALA 112 941 ? A -6.400 10.338 2.598 1.000 1 A 98.459 1 ATOM 937 C CB . ALA 112 941 ? A -4.164 8.200 1.443 1.000 1 A 98.459 1 ATOM 938 N N . LEU 113 942 ? A -5.736 8.869 4.144 1.000 1 A 98.578 1 ATOM 939 C CA . LEU 113 942 ? A -6.992 8.856 4.886 1.000 1 A 98.578 1 ATOM 940 C C . LEU 113 942 ? A -7.214 10.183 5.603 1.000 1 A 98.578 1 ATOM 941 O O . LEU 113 942 ? A -8.352 10.547 5.907 1.000 1 A 98.578 1 ATOM 942 C CB . LEU 113 942 ? A -7.005 7.707 5.898 1.000 1 A 98.578 1 ATOM 943 C CG . LEU 113 942 ? A -7.186 6.301 5.326 1.000 1 A 98.578 1 ATOM 944 C CD1 . LEU 113 942 ? A -6.880 5.252 6.390 1.000 1 A 98.578 1 ATOM 945 C CD2 . LEU 113 942 ? A -8.600 6.122 4.783 1.000 1 A 98.578 1 ATOM 946 N N . ARG 114 943 ? A -6.191 10.954 5.732 1.000 1 A 98.235 1 ATOM 947 C CA . ARG 114 943 ? A -6.299 12.254 6.386 1.000 1 A 98.235 1 ATOM 948 C C . ARG 114 943 ? A -6.769 13.323 5.404 1.000 1 A 98.235 1 ATOM 949 O O . ARG 114 943 ? A -7.222 14.394 5.815 1.000 1 A 98.235 1 ATOM 950 C CB . ARG 114 943 ? A -4.959 12.660 7.002 1.000 1 A 98.235 1 ATOM 951 C CG . ARG 114 943 ? A -4.621 11.920 8.286 1.000 1 A 98.235 1 ATOM 952 C CD . ARG 114 943 ? A -3.345 12.449 8.923 1.000 1 A 98.235 1 ATOM 953 N NE . ARG 114 943 ? A -3.125 11.875 10.248 1.000 1 A 98.235 1 ATOM 954 C CZ . ARG 114 943 ? A -2.081 11.123 10.584 1.000 1 A 98.235 1 ATOM 955 N NH1 . ARG 114 943 ? A -1.136 10.838 9.696 1.000 1 A 98.235 1 ATOM 956 N NH2 . ARG 114 943 ? A -1.981 10.651 11.819 1.000 1 A 98.235 1 ATOM 957 N N . LYS 115 944 ? A -6.676 12.977 4.172 1.000 1 A 98.068 1 ATOM 958 C CA . LYS 115 944 ? A -7.216 13.904 3.182 1.000 1 A 98.068 1 ATOM 959 C C . LYS 115 944 ? A -8.717 14.101 3.374 1.000 1 A 98.068 1 ATOM 960 O O . LYS 115 944 ? A -9.375 13.294 4.033 1.000 1 A 98.068 1 ATOM 961 C CB . LYS 115 944 ? A -6.931 13.402 1.765 1.000 1 A 98.068 1 ATOM 962 C CG . LYS 115 944 ? A -5.450 13.266 1.444 1.000 1 A 98.068 1 ATOM 963 C CD . LYS 115 944 ? A -4.741 14.614 1.492 1.000 1 A 98.068 1 ATOM 964 C CE . LYS 115 944 ? A -3.266 14.483 1.138 1.000 1 A 98.068 1 ATOM 965 N NZ . LYS 115 944 ? A -2.554 15.792 1.240 1.000 1 A 98.068 1 ATOM 966 N N . PRO 116 945 ? A -9.248 15.252 2.867 1.000 1 A 97.963 1 ATOM 967 C CA . PRO 116 945 ? A -10.670 15.542 3.062 1.000 1 A 97.963 1 ATOM 968 C C . PRO 116 945 ? A -11.573 14.398 2.607 1.000 1 A 97.963 1 ATOM 969 O O . PRO 116 945 ? A -11.263 13.714 1.628 1.000 1 A 97.963 1 ATOM 970 C CB . PRO 116 945 ? A -10.897 16.790 2.205 1.000 1 A 97.963 1 ATOM 971 C CG . PRO 116 945 ? A -9.546 17.418 2.082 1.000 1 A 97.963 1 ATOM 972 C CD . PRO 116 945 ? A -8.511 16.331 2.096 1.000 1 A 97.963 1 ATOM 973 N N . PHE 117 946 ? A -12.630 14.195 3.363 1.000 1 A 97.997 1 ATOM 974 C CA . PHE 117 946 ? A -13.637 13.189 3.050 1.000 1 A 97.997 1 ATOM 975 C C . PHE 117 946 ? A -14.151 13.361 1.626 1.000 1 A 97.997 1 ATOM 976 O O . PHE 117 946 ? A -14.457 14.478 1.201 1.000 1 A 97.997 1 ATOM 977 C CB . PHE 117 946 ? A -14.803 13.268 4.041 1.000 1 A 97.997 1 ATOM 978 C CG . PHE 117 946 ? A -15.932 12.325 3.726 1.000 1 A 97.997 1 ATOM 979 C CD1 . PHE 117 946 ? A -17.095 12.788 3.122 1.000 1 A 97.997 1 ATOM 980 C CD2 . PHE 117 946 ? A -15.832 10.974 4.035 1.000 1 A 97.997 1 ATOM 981 C CE1 . PHE 117 946 ? A -18.142 11.917 2.829 1.000 1 A 97.997 1 ATOM 982 C CE2 . PHE 117 946 ? A -16.874 10.098 3.745 1.000 1 A 97.997 1 ATOM 983 C CZ . PHE 117 946 ? A -18.029 10.572 3.143 1.000 1 A 97.997 1 ATOM 984 N N . GLY 118 947 ? A -14.091 12.283 0.848 1.000 1 A 97.401 1 ATOM 985 C CA . GLY 118 947 ? A -14.623 12.283 -0.505 1.000 1 A 97.401 1 ATOM 986 C C . GLY 118 947 ? A -13.574 12.582 -1.559 1.000 1 A 97.401 1 ATOM 987 O O . GLY 118 947 ? A -13.875 12.601 -2.755 1.000 1 A 97.401 1 ATOM 988 N N . SER 119 948 ? A -12.352 12.891 -1.147 1.000 1 A 98.214 1 ATOM 989 C CA . SER 119 948 ? A -11.284 13.126 -2.113 1.000 1 A 98.214 1 ATOM 990 C C . SER 119 948 ? A -10.784 11.817 -2.714 1.000 1 A 98.214 1 ATOM 991 O O . SER 119 948 ? A -11.034 10.741 -2.167 1.000 1 A 98.214 1 ATOM 992 C CB . SER 119 948 ? A -10.122 13.871 -1.455 1.000 1 A 98.214 1 ATOM 993 O OG . SER 119 948 ? A -9.451 13.038 -0.525 1.000 1 A 98.214 1 ATOM 994 N N . LYS 120 949 ? A -10.102 11.824 -3.910 1.000 1 A 97.865 1 ATOM 995 C CA . LYS 120 949 ? A -9.533 10.648 -4.561 1.000 1 A 97.865 1 ATOM 996 C C . LYS 120 949 ? A -8.590 9.902 -3.622 1.000 1 A 97.865 1 ATOM 997 O O . LYS 120 949 ? A -8.663 8.677 -3.504 1.000 1 A 97.865 1 ATOM 998 C CB . LYS 120 949 ? A -8.792 11.047 -5.839 1.000 1 A 97.865 1 ATOM 999 C CG . LYS 120 949 ? A -9.708 11.456 -6.983 1.000 1 A 97.865 1 ATOM 1000 C CD . LYS 120 949 ? A -8.935 11.624 -8.285 1.000 1 A 97.865 1 ATOM 1001 C CE . LYS 120 949 ? A -8.118 12.909 -8.290 1.000 1 A 97.865 1 ATOM 1002 N NZ . LYS 120 949 ? A -7.343 13.067 -9.556 1.000 1 A 97.865 1 ATOM 1003 N N . MET 121 950 ? A -7.894 10.628 -2.906 1.000 1 A 98.270 1 ATOM 1004 C CA . MET 121 950 ? A -6.908 10.027 -2.012 1.000 1 A 98.270 1 ATOM 1005 C C . MET 121 950 ? A -7.586 9.382 -0.808 1.000 1 A 98.270 1 ATOM 1006 O O . MET 121 950 ? A -7.118 8.363 -0.298 1.000 1 A 98.270 1 ATOM 1007 C CB . MET 121 950 ? A -5.897 11.075 -1.543 1.000 1 A 98.270 1 ATOM 1008 C CG . MET 121 950 ? A -4.903 11.490 -2.616 1.000 1 A 98.270 1 ATOM 1009 S SD . MET 121 950 ? A -4.059 10.055 -3.386 1.000 1 A 98.270 1 ATOM 1010 C CE . MET 121 950 ? A -3.073 9.470 -1.980 1.000 1 A 98.270 1 ATOM 1011 N N . TYR 122 951 ? A -8.657 10.014 -0.363 1.000 1 A 98.468 1 ATOM 1012 C CA . TYR 122 951 ? A -9.435 9.370 0.689 1.000 1 A 98.468 1 ATOM 1013 C C . TYR 122 951 ? A -9.909 7.990 0.249 1.000 1 A 98.468 1 ATOM 1014 O O . TYR 122 951 ? A -9.757 7.011 0.983 1.000 1 A 98.468 1 ATOM 1015 C CB . TYR 122 951 ? A -10.638 10.236 1.075 1.000 1 A 98.468 1 ATOM 1016 C CG . TYR 122 951 ? A -11.640 9.526 1.953 1.000 1 A 98.468 1 ATOM 1017 C CD1 . TYR 122 951 ? A -12.774 8.929 1.406 1.000 1 A 98.468 1 ATOM 1018 C CD2 . TYR 122 951 ? A -11.457 9.451 3.329 1.000 1 A 98.468 1 ATOM 1019 C CE1 . TYR 122 951 ? A -13.702 8.275 2.211 1.000 1 A 98.468 1 ATOM 1020 C CE2 . TYR 122 951 ? A -12.377 8.800 4.143 1.000 1 A 98.468 1 ATOM 1021 C CZ . TYR 122 951 ? A -13.495 8.216 3.576 1.000 1 A 98.468 1 ATOM 1022 O OH . TYR 122 951 ? A -14.410 7.570 4.377 1.000 1 A 98.468 1 ATOM 1023 N N . TYR 123 952 ? A -10.416 7.858 -0.924 1.000 1 A 98.358 1 ATOM 1024 C CA . TYR 123 952 ? A -10.903 6.586 -1.446 1.000 1 A 98.358 1 ATOM 1025 C C . TYR 123 952 ? A -9.752 5.615 -1.677 1.000 1 A 98.358 1 ATOM 1026 O O . TYR 123 952 ? A -9.905 4.405 -1.490 1.000 1 A 98.358 1 ATOM 1027 C CB . TYR 123 952 ? A -11.675 6.801 -2.752 1.000 1 A 98.358 1 ATOM 1028 C CG . TYR 123 952 ? A -13.016 7.468 -2.562 1.000 1 A 98.358 1 ATOM 1029 C CD1 . TYR 123 952 ? A -14.005 6.877 -1.778 1.000 1 A 98.358 1 ATOM 1030 C CD2 . TYR 123 952 ? A -13.297 8.688 -3.166 1.000 1 A 98.358 1 ATOM 1031 C CE1 . TYR 123 952 ? A -15.242 7.487 -1.602 1.000 1 A 98.358 1 ATOM 1032 C CE2 . TYR 123 952 ? A -14.531 9.307 -2.997 1.000 1 A 98.358 1 ATOM 1033 C CZ . TYR 123 952 ? A -15.496 8.700 -2.214 1.000 1 A 98.358 1 ATOM 1034 O OH . TYR 123 952 ? A -16.719 9.308 -2.042 1.000 1 A 98.358 1 ATOM 1035 N N . PHE 124 953 ? A -8.647 6.168 -2.106 1.000 1 A 98.614 1 ATOM 1036 C CA . PHE 124 953 ? A -7.441 5.351 -2.171 1.000 1 A 98.614 1 ATOM 1037 C C . PHE 124 953 ? A -7.135 4.729 -0.814 1.000 1 A 98.614 1 ATOM 1038 O O . PHE 124 953 ? A -6.911 3.521 -0.715 1.000 1 A 98.614 1 ATOM 1039 C CB . PHE 124 953 ? A -6.249 6.187 -2.647 1.000 1 A 98.614 1 ATOM 1040 C CG . PHE 124 953 ? A -4.921 5.500 -2.479 1.000 1 A 98.614 1 ATOM 1041 C CD1 . PHE 124 953 ? A -4.154 5.709 -1.339 1.000 1 A 98.614 1 ATOM 1042 C CD2 . PHE 124 953 ? A -4.438 4.645 -3.461 1.000 1 A 98.614 1 ATOM 1043 C CE1 . PHE 124 953 ? A -2.924 5.074 -1.180 1.000 1 A 98.614 1 ATOM 1044 C CE2 . PHE 124 953 ? A -3.210 4.008 -3.310 1.000 1 A 98.614 1 ATOM 1045 C CZ . PHE 124 953 ? A -2.454 4.224 -2.169 1.000 1 A 98.614 1 ATOM 1046 N N . GLY 125 954 ? A -7.114 5.543 0.167 1.000 1 A 98.590 1 ATOM 1047 C CA . GLY 125 954 ? A -6.830 5.082 1.516 1.000 1 A 98.590 1 ATOM 1048 C C . GLY 125 954 ? A -7.806 4.029 2.005 1.000 1 A 98.590 1 ATOM 1049 O O . GLY 125 954 ? A -7.400 3.019 2.584 1.000 1 A 98.590 1 ATOM 1050 N N . ILE 126 955 ? A -9.102 4.266 1.786 1.000 1 A 98.627 1 ATOM 1051 C CA . ILE 126 955 ? A -10.141 3.338 2.219 1.000 1 A 98.627 1 ATOM 1052 C C . ILE 126 955 ? A -9.955 1.992 1.521 1.000 1 A 98.627 1 ATOM 1053 O O . ILE 126 955 ? A -10.000 0.941 2.164 1.000 1 A 98.627 1 ATOM 1054 C CB . ILE 126 955 ? A -11.553 3.898 1.934 1.000 1 A 98.627 1 ATOM 1055 C CG1 . ILE 126 955 ? A -11.829 5.122 2.815 1.000 1 A 98.627 1 ATOM 1056 C CG2 . ILE 126 955 ? A -12.616 2.817 2.149 1.000 1 A 98.627 1 ATOM 1057 C CD1 . ILE 126 955 ? A -11.836 4.822 4.308 1.000 1 A 98.627 1 ATOM 1058 N N . ALA 127 956 ? A -9.740 1.996 0.270 1.000 1 A 98.625 1 ATOM 1059 C CA . ALA 127 956 ? A -9.557 0.774 -0.508 1.000 1 A 98.625 1 ATOM 1060 C C . ALA 127 956 ? A -8.329 0.001 -0.036 1.000 1 A 98.625 1 ATOM 1061 O O . ALA 127 956 ? A -8.378 -1.222 0.117 1.000 1 A 98.625 1 ATOM 1062 C CB . ALA 127 956 ? A -9.437 1.101 -1.995 1.000 1 A 98.625 1 ATOM 1063 N N . ALA 128 957 ? A -7.224 0.698 0.148 1.000 1 A 98.720 1 ATOM 1064 C CA . ALA 128 957 ? A -5.999 0.062 0.625 1.000 1 A 98.720 1 ATOM 1065 C C . ALA 128 957 ? A -6.194 -0.531 2.017 1.000 1 A 98.720 1 ATOM 1066 O O . ALA 128 957 ? A -5.784 -1.664 2.279 1.000 1 A 98.720 1 ATOM 1067 C CB . ALA 128 957 ? A -4.848 1.066 0.634 1.000 1 A 98.720 1 ATOM 1068 N N . LEU 129 958 ? A -6.784 0.263 2.939 1.000 1 A 98.678 1 ATOM 1069 C CA . LEU 129 958 ? A -7.041 -0.170 4.308 1.000 1 A 98.678 1 ATOM 1070 C C . LEU 129 958 ? A -7.907 -1.425 4.328 1.000 1 A 98.678 1 ATOM 1071 O O . LEU 129 958 ? A -7.654 -2.346 5.107 1.000 1 A 98.678 1 ATOM 1072 C CB . LEU 129 958 ? A -7.720 0.947 5.105 1.000 1 A 98.678 1 ATOM 1073 C CG . LEU 129 958 ? A -7.926 0.686 6.598 1.000 1 A 98.678 1 ATOM 1074 C CD1 . LEU 129 958 ? A -6.583 0.477 7.289 1.000 1 A 98.678 1 ATOM 1075 C CD2 . LEU 129 958 ? A -8.691 1.838 7.242 1.000 1 A 98.678 1 ATOM 1076 N N . ASP 130 959 ? A -8.811 -1.473 3.502 1.000 1 A 98.501 1 ATOM 1077 C CA . ASP 130 959 ? A -9.713 -2.617 3.414 1.000 1 A 98.501 1 ATOM 1078 C C . ASP 130 959 ? A -8.948 -3.895 3.077 1.000 1 A 98.501 1 ATOM 1079 O O . ASP 130 959 ? A -9.304 -4.979 3.544 1.000 1 A 98.501 1 ATOM 1080 C CB . ASP 130 959 ? A -10.800 -2.363 2.367 1.000 1 A 98.501 1 ATOM 1081 C CG . ASP 130 959 ? A -12.008 -3.268 2.536 1.000 1 A 98.501 1 ATOM 1082 O OD1 . ASP 130 959 ? A -12.509 -3.412 3.672 1.000 1 A 98.501 1 ATOM 1083 O OD2 . ASP 130 959 ? A -12.462 -3.844 1.523 1.000 1 A 98.501 1 ATOM 1084 N N . ARG 131 960 ? A -7.949 -3.771 2.306 1.000 1 A 98.462 1 ATOM 1085 C CA . ARG 131 960 ? A -7.187 -4.937 1.868 1.000 1 A 98.462 1 ATOM 1086 C C . ARG 131 960 ? A -6.440 -5.572 3.036 1.000 1 A 98.462 1 ATOM 1087 O O . ARG 131 960 ? A -6.252 -6.790 3.070 1.000 1 A 98.462 1 ATOM 1088 C CB . ARG 131 960 ? A -6.202 -4.551 0.763 1.000 1 A 98.462 1 ATOM 1089 C CG . ARG 131 960 ? A -6.866 -4.215 -0.564 1.000 1 A 98.462 1 ATOM 1090 C CD . ARG 131 960 ? A -7.594 -5.417 -1.150 1.000 1 A 98.462 1 ATOM 1091 N NE . ARG 131 960 ? A -6.662 -6.446 -1.599 1.000 1 A 98.462 1 ATOM 1092 C CZ . ARG 131 960 ? A -7.017 -7.596 -2.165 1.000 1 A 98.462 1 ATOM 1093 N NH1 . ARG 131 960 ? A -8.298 -7.887 -2.364 1.000 1 A 98.462 1 ATOM 1094 N NH2 . ARG 131 960 ? A -6.086 -8.462 -2.536 1.000 1 A 98.462 1 ATOM 1095 N N . PHE 132 961 ? A -6.001 -4.744 4.000 1.000 1 A 98.427 1 ATOM 1096 C CA . PHE 132 961 ? A -5.205 -5.337 5.068 1.000 1 A 98.427 1 ATOM 1097 C C . PHE 132 961 ? A -5.882 -5.142 6.420 1.000 1 A 98.427 1 ATOM 1098 O O . PHE 132 961 ? A -5.209 -5.020 7.445 1.000 1 A 98.427 1 ATOM 1099 C CB . PHE 132 961 ? A -3.799 -4.730 5.093 1.000 1 A 98.427 1 ATOM 1100 C CG . PHE 132 961 ? A -3.783 -3.244 5.329 1.000 1 A 98.427 1 ATOM 1101 C CD1 . PHE 132 961 ? A -3.792 -2.356 4.261 1.000 1 A 98.427 1 ATOM 1102 C CD2 . PHE 132 961 ? A -3.760 -2.735 6.621 1.000 1 A 98.427 1 ATOM 1103 C CE1 . PHE 132 961 ? A -3.778 -0.980 4.477 1.000 1 A 98.427 1 ATOM 1104 C CE2 . PHE 132 961 ? A -3.745 -1.361 6.845 1.000 1 A 98.427 1 ATOM 1105 C CZ . PHE 132 961 ? A -3.753 -0.485 5.771 1.000 1 A 98.427 1 ATOM 1106 N N . LYS 133 962 ? A -7.174 -5.057 6.438 1.000 1 A 97.837 1 ATOM 1107 C CA . LYS 133 962 ? A -7.942 -4.823 7.657 1.000 1 A 97.837 1 ATOM 1108 C C . LYS 133 962 ? A -7.754 -5.965 8.652 1.000 1 A 97.837 1 ATOM 1109 O O . LYS 133 962 ? A -7.783 -5.748 9.866 1.000 1 A 97.837 1 ATOM 1110 C CB . LYS 133 962 ? A -9.426 -4.651 7.332 1.000 1 A 97.837 1 ATOM 1111 C CG . LYS 133 962 ? A -10.071 -5.881 6.711 1.000 1 A 97.837 1 ATOM 1112 C CD . LYS 133 962 ? A -11.532 -5.629 6.359 1.000 1 A 97.837 1 ATOM 1113 C CE . LYS 133 962 ? A -12.153 -6.829 5.657 1.000 1 A 97.837 1 ATOM 1114 N NZ . LYS 133 962 ? A -12.631 -6.482 4.285 1.000 1 A 97.837 1 ATOM 1115 N N . ASN 134 963 ? A -7.495 -7.186 8.195 1.000 1 A 97.432 1 ATOM 1116 C CA . ASN 134 963 ? A -7.321 -8.338 9.074 1.000 1 A 97.432 1 ATOM 1117 C C . ASN 134 963 ? A -5.990 -8.277 9.819 1.000 1 A 97.432 1 ATOM 1118 O O . ASN 134 963 ? A -5.781 -9.013 10.785 1.000 1 A 97.432 1 ATOM 1119 C CB . ASN 134 963 ? A -7.425 -9.641 8.279 1.000 1 A 97.432 1 ATOM 1120 C CG . ASN 134 963 ? A -8.787 -9.826 7.638 1.000 1 A 97.432 1 ATOM 1121 O OD1 . ASN 134 963 ? A -8.978 -9.520 6.459 1.000 1 A 97.432 1 ATOM 1122 N ND2 . ASN 134 963 ? A -9.742 -10.331 8.411 1.000 1 A 97.432 1 ATOM 1123 N N . ARG 135 964 ? A -5.129 -7.352 9.392 1.000 1 A 97.450 1 ATOM 1124 C CA . ARG 135 964 ? A -3.817 -7.200 10.015 1.000 1 A 97.450 1 ATOM 1125 C C . ARG 135 964 ? A -3.808 -6.032 10.994 1.000 1 A 97.450 1 ATOM 1126 O O . ARG 135 964 ? A -2.801 -5.780 11.660 1.000 1 A 97.450 1 ATOM 1127 C CB . ARG 135 964 ? A -2.736 -7.001 8.951 1.000 1 A 97.450 1 ATOM 1128 C CG . ARG 135 964 ? A -2.453 -8.242 8.120 1.000 1 A 97.450 1 ATOM 1129 C CD . ARG 135 964 ? A -1.159 -8.108 7.329 1.000 1 A 97.450 1 ATOM 1130 N NE . ARG 135 964 ? A 0.011 -8.113 8.203 1.000 1 A 97.450 1 ATOM 1131 C CZ . ARG 135 964 ? A 1.254 -7.855 7.807 1.000 1 A 97.450 1 ATOM 1132 N NH1 . ARG 135 964 ? A 1.515 -7.565 6.537 1.000 1 A 97.450 1 ATOM 1133 N NH2 . ARG 135 964 ? A 2.244 -7.887 8.686 1.000 1 A 97.450 1 ATOM 1134 N N . LEU 136 965 ? A -4.885 -5.292 11.073 1.000 1 A 97.964 1 ATOM 1135 C CA . LEU 136 965 ? A -4.945 -4.100 11.912 1.000 1 A 97.964 1 ATOM 1136 C C . LEU 136 965 ? A -4.730 -4.457 13.379 1.000 1 A 97.964 1 ATOM 1137 O O . LEU 136 965 ? A -4.186 -3.657 14.144 1.000 1 A 97.964 1 ATOM 1138 C CB . LEU 136 965 ? A -6.289 -3.389 11.740 1.000 1 A 97.964 1 ATOM 1139 C CG . LEU 136 965 ? A -6.477 -2.597 10.445 1.000 1 A 97.964 1 ATOM 1140 C CD1 . LEU 136 965 ? A -7.873 -1.987 10.394 1.000 1 A 97.964 1 ATOM 1141 C CD2 . LEU 136 965 ? A -5.409 -1.515 10.320 1.000 1 A 97.964 1 ATOM 1142 N N . LYS 137 966 ? A -5.105 -5.653 13.776 1.000 1 A 97.612 1 ATOM 1143 C CA . LYS 137 966 ? A -4.922 -6.095 15.155 1.000 1 A 97.612 1 ATOM 1144 C C . LYS 137 966 ? A -3.442 -6.155 15.522 1.000 1 A 97.612 1 ATOM 1145 O O . LYS 137 966 ? A -3.085 -6.073 16.699 1.000 1 A 97.612 1 ATOM 1146 C CB . LYS 137 966 ? A -5.571 -7.463 15.371 1.000 1 A 97.612 1 ATOM 1147 C CG . LYS 137 966 ? A -4.951 -8.580 14.544 1.000 1 A 97.612 1 ATOM 1148 C CD . LYS 137 966 ? A -5.673 -9.904 14.762 1.000 1 A 97.612 1 ATOM 1149 C CE . LYS 137 966 ? A -5.097 -11.007 13.884 1.000 1 A 97.612 1 ATOM 1150 N NZ . LYS 137 966 ? A -5.703 -12.336 14.195 1.000 1 A 97.612 1 ATOM 1151 N N . ASP 138 967 ? A -2.596 -6.206 14.592 1.000 1 A 97.485 1 ATOM 1152 C CA . ASP 138 967 ? A -1.154 -6.286 14.805 1.000 1 A 97.485 1 ATOM 1153 C C . ASP 138 967 ? A -0.550 -4.896 14.995 1.000 1 A 97.485 1 ATOM 1154 O O . ASP 138 967 ? A 0.606 -4.767 15.402 1.000 1 A 97.485 1 ATOM 1155 C CB . ASP 138 967 ? A -0.476 -6.999 13.634 1.000 1 A 97.485 1 ATOM 1156 C CG . ASP 138 967 ? A -0.941 -8.435 13.465 1.000 1 A 97.485 1 ATOM 1157 O OD1 . ASP 138 967 ? A -1.250 -9.099 14.478 1.000 1 A 97.485 1 ATOM 1158 O OD2 . ASP 138 967 ? A -0.995 -8.907 12.309 1.000 1 A 97.485 1 ATOM 1159 N N . TYR 139 968 ? A -1.359 -3.843 14.694 1.000 1 A 97.589 1 ATOM 1160 C CA . TYR 139 968 ? A -0.865 -2.471 14.738 1.000 1 A 97.589 1 ATOM 1161 C C . TYR 139 968 ? A -1.750 -1.601 15.622 1.000 1 A 97.589 1 ATOM 1162 O O . TYR 139 968 ? A -2.366 -0.645 15.144 1.000 1 A 97.589 1 ATOM 1163 C CB . TYR 139 968 ? A -0.793 -1.880 13.327 1.000 1 A 97.589 1 ATOM 1164 C CG . TYR 139 968 ? A -0.181 -2.811 12.309 1.000 1 A 97.589 1 ATOM 1165 C CD1 . TYR 139 968 ? A 1.130 -3.262 12.448 1.000 1 A 97.589 1 ATOM 1166 C CD2 . TYR 139 968 ? A -0.911 -3.242 11.206 1.000 1 A 97.589 1 ATOM 1167 C CE1 . TYR 139 968 ? A 1.699 -4.119 11.511 1.000 1 A 97.589 1 ATOM 1168 C CE2 . TYR 139 968 ? A -0.352 -4.098 10.263 1.000 1 A 97.589 1 ATOM 1169 C CZ . TYR 139 968 ? A 0.952 -4.531 10.425 1.000 1 A 97.589 1 ATOM 1170 O OH . TYR 139 968 ? A 1.510 -5.379 9.494 1.000 1 A 97.589 1 ATOM 1171 N N . PRO 140 969 ? A -1.729 -1.833 16.954 1.000 1 A 97.844 1 ATOM 1172 C CA . PRO 140 969 ? A -2.657 -1.098 17.817 1.000 1 A 97.844 1 ATOM 1173 C C . PRO 140 969 ? A -2.405 0.408 17.806 1.000 1 A 97.844 1 ATOM 1174 O O . PRO 140 969 ? A -3.353 1.197 17.842 1.000 1 A 97.844 1 ATOM 1175 C CB . PRO 140 969 ? A -2.389 -1.685 19.205 1.000 1 A 97.844 1 ATOM 1176 C CG . PRO 140 969 ? A -1.042 -2.324 19.096 1.000 1 A 97.844 1 ATOM 1177 C CD . PRO 140 969 ? A -0.858 -2.813 17.687 1.000 1 A 97.844 1 ATOM 1178 N N . GLN 141 970 ? A -1.178 0.810 17.728 1.000 1 A 97.990 1 ATOM 1179 C CA . GLN 141 970 ? A -0.857 2.233 17.704 1.000 1 A 97.990 1 ATOM 1180 C C . GLN 141 970 ? A -1.333 2.882 16.407 1.000 1 A 97.990 1 ATOM 1181 O O . GLN 141 970 ? A -1.814 4.017 16.415 1.000 1 A 97.990 1 ATOM 1182 C CB . GLN 141 970 ? A 0.647 2.448 17.878 1.000 1 A 97.990 1 ATOM 1183 C CG . GLN 141 970 ? A 1.152 2.155 19.284 1.000 1 A 97.990 1 ATOM 1184 C CD . GLN 141 970 ? A 2.650 2.348 19.422 1.000 1 A 97.990 1 ATOM 1185 O OE1 . GLN 141 970 ? A 3.310 2.860 18.512 1.000 1 A 97.990 1 ATOM 1186 N NE2 . GLN 141 970 ? A 3.199 1.938 20.561 1.000 1 A 97.990 1 ATOM 1187 N N . TYR 142 971 ? A -1.183 2.239 15.339 1.000 1 A 98.248 1 ATOM 1188 C CA . TYR 142 971 ? A -1.672 2.695 14.043 1.000 1 A 98.248 1 ATOM 1189 C C . TYR 142 971 ? A -3.185 2.881 14.065 1.000 1 A 98.248 1 ATOM 1190 O O . TYR 142 971 ? A -3.700 3.887 13.571 1.000 1 A 98.248 1 ATOM 1191 C CB . TYR 142 971 ? A -1.284 1.704 12.942 1.000 1 A 98.248 1 ATOM 1192 C CG . TYR 142 971 ? A -1.730 2.123 11.562 1.000 1 A 98.248 1 ATOM 1193 C CD1 . TYR 142 971 ? A -2.750 1.442 10.902 1.000 1 A 98.248 1 ATOM 1194 C CD2 . TYR 142 971 ? A -1.132 3.200 10.916 1.000 1 A 98.248 1 ATOM 1195 C CE1 . TYR 142 971 ? A -3.164 1.824 9.630 1.000 1 A 98.248 1 ATOM 1196 C CE2 . TYR 142 971 ? A -1.537 3.591 9.644 1.000 1 A 98.248 1 ATOM 1197 C CZ . TYR 142 971 ? A -2.552 2.898 9.010 1.000 1 A 98.248 1 ATOM 1198 O OH . TYR 142 971 ? A -2.957 3.280 7.751 1.000 1 A 98.248 1 ATOM 1199 N N . CYS 143 972 ? A -3.874 1.968 14.736 1.000 1 A 98.430 1 ATOM 1200 C CA . CYS 143 972 ? A -5.325 2.043 14.860 1.000 1 A 98.430 1 ATOM 1201 C C . CYS 143 972 ? A -5.741 3.264 15.671 1.000 1 A 98.430 1 ATOM 1202 O O . CYS 143 972 ? A -6.755 3.898 15.371 1.000 1 A 98.430 1 ATOM 1203 C CB . CYS 143 972 ? A -5.873 0.775 15.514 1.000 1 A 98.430 1 ATOM 1204 S SG . CYS 143 972 ? A -5.681 -0.708 14.501 1.000 1 A 98.430 1 ATOM 1205 N N . GLN 144 973 ? A -4.952 3.588 16.681 1.000 1 A 98.142 1 ATOM 1206 C CA . GLN 144 973 ? A -5.220 4.797 17.453 1.000 1 A 98.142 1 ATOM 1207 C C . GLN 144 973 ? A -5.143 6.040 16.572 1.000 1 A 98.142 1 ATOM 1208 O O . GLN 144 973 ? A -5.979 6.940 16.685 1.000 1 A 98.142 1 ATOM 1209 C CB . GLN 144 973 ? A -4.238 4.918 18.620 1.000 1 A 98.142 1 ATOM 1210 C CG . GLN 144 973 ? A -4.480 3.908 19.734 1.000 1 A 98.142 1 ATOM 1211 C CD . GLN 144 973 ? A -3.437 3.987 20.833 1.000 1 A 98.142 1 ATOM 1212 O OE1 . GLN 144 973 ? A -2.553 4.849 20.808 1.000 1 A 98.142 1 ATOM 1213 N NE2 . GLN 144 973 ? A -3.532 3.086 21.806 1.000 1 A 98.142 1 ATOM 1214 N N . HIS 145 974 ? A -4.173 6.038 15.702 1.000 1 A 98.289 1 ATOM 1215 C CA . HIS 145 974 ? A -4.017 7.162 14.786 1.000 1 A 98.289 1 ATOM 1216 C C . HIS 145 974 ? A -5.179 7.235 13.801 1.000 1 A 98.289 1 ATOM 1217 O O . HIS 145 974 ? A -5.668 8.324 13.491 1.000 1 A 98.289 1 ATOM 1218 C CB . HIS 145 974 ? A -2.692 7.055 14.028 1.000 1 A 98.289 1 ATOM 1219 C CG . HIS 145 974 ? A -1.489 7.255 14.892 1.000 1 A 98.289 1 ATOM 1220 N ND1 . HIS 145 974 ? A -1.311 8.376 15.673 1.000 1 A 98.289 1 ATOM 1221 C CD2 . HIS 145 974 ? A -0.403 6.472 15.100 1.000 1 A 98.289 1 ATOM 1222 C CE1 . HIS 145 974 ? A -0.165 8.275 16.324 1.000 1 A 98.289 1 ATOM 1223 N NE2 . HIS 145 974 ? A 0.405 7.129 15.995 1.000 1 A 98.289 1 ATOM 1224 N N . LEU 146 975 ? A -5.594 6.126 13.339 1.000 1 A 98.375 1 ATOM 1225 C CA . LEU 146 975 ? A -6.729 6.085 12.423 1.000 1 A 98.375 1 ATOM 1226 C C . LEU 146 975 ? A -7.987 6.629 13.091 1.000 1 A 98.375 1 ATOM 1227 O O . LEU 146 975 ? A -8.750 7.376 12.473 1.000 1 A 98.375 1 ATOM 1228 C CB . LEU 146 975 ? A -6.973 4.655 11.935 1.000 1 A 98.375 1 ATOM 1229 C CG . LEU 146 975 ? A -5.943 4.087 10.956 1.000 1 A 98.375 1 ATOM 1230 C CD1 . LEU 146 975 ? A -6.213 2.608 10.702 1.000 1 A 98.375 1 ATOM 1231 C CD2 . LEU 146 975 ? A -5.958 4.872 9.649 1.000 1 A 98.375 1 ATOM 1232 N N . ALA 147 976 ? A -8.201 6.251 14.344 1.000 1 A 97.916 1 ATOM 1233 C CA . ALA 147 976 ? A -9.386 6.650 15.101 1.000 1 A 97.916 1 ATOM 1234 C C . ALA 147 976 ? A -9.371 8.147 15.393 1.000 1 A 97.916 1 ATOM 1235 O O . ALA 147 976 ? A -10.418 8.746 15.653 1.000 1 A 97.916 1 ATOM 1236 C CB . ALA 147 976 ? A -9.477 5.858 16.403 1.000 1 A 97.916 1 ATOM 1237 N N . SER 148 977 ? A -8.239 8.792 15.342 1.000 1 A 98.103 1 ATOM 1238 C CA . SER 148 977 ? A -8.103 10.210 15.657 1.000 1 A 98.103 1 ATOM 1239 C C . SER 148 977 ? A -8.351 11.076 14.426 1.000 1 A 98.103 1 ATOM 1240 O O . SER 148 977 ? A -8.341 12.306 14.513 1.000 1 A 98.103 1 ATOM 1241 C CB . SER 148 977 ? A -6.714 10.503 16.226 1.000 1 A 98.103 1 ATOM 1242 O OG . SER 148 977 ? A -5.721 10.360 15.225 1.000 1 A 98.103 1 ATOM 1243 N N . ILE 149 978 ? A -8.579 10.496 13.278 1.000 1 A 98.009 1 ATOM 1244 C CA . ILE 149 978 ? A -8.866 11.249 12.062 1.000 1 A 98.009 1 ATOM 1245 C C . ILE 149 978 ? A -10.201 11.976 12.209 1.000 1 A 98.009 1 ATOM 1246 O O . ILE 149 978 ? A -11.174 11.406 12.706 1.000 1 A 98.009 1 ATOM 1247 C CB . ILE 149 978 ? A -8.891 10.329 10.820 1.000 1 A 98.009 1 ATOM 1248 C CG1 . ILE 149 978 ? A -7.492 9.767 10.544 1.000 1 A 98.009 1 ATOM 1249 C CG2 . ILE 149 978 ? A -9.429 11.083 9.601 1.000 1 A 98.009 1 ATOM 1250 C CD1 . ILE 149 978 ? A -7.454 8.717 9.442 1.000 1 A 98.009 1 ATOM 1251 N N . SER 150 979 ? A -10.291 13.269 11.789 1.000 1 A 97.269 1 ATOM 1252 C CA . SER 150 979 ? A -11.430 14.161 11.980 1.000 1 A 97.269 1 ATOM 1253 C C . SER 150 979 ? A -12.716 13.537 11.449 1.000 1 A 97.269 1 ATOM 1254 O O . SER 150 979 ? A -13.764 13.621 12.092 1.000 1 A 97.269 1 ATOM 1255 C CB . SER 150 979 ? A -11.181 15.503 11.290 1.000 1 A 97.269 1 ATOM 1256 O OG . SER 150 979 ? A -10.027 16.134 11.818 1.000 1 A 97.269 1 ATOM 1257 N N . HIS 151 980 ? A -12.650 12.908 10.306 1.000 1 A 97.536 1 ATOM 1258 C CA . HIS 151 980 ? A -13.849 12.366 9.677 1.000 1 A 97.536 1 ATOM 1259 C C . HIS 151 980 ? A -13.923 10.852 9.845 1.000 1 A 97.536 1 ATOM 1260 O O . HIS 151 980 ? A -14.374 10.145 8.941 1.000 1 A 97.536 1 ATOM 1261 C CB . HIS 151 980 ? A -13.888 12.733 8.192 1.000 1 A 97.536 1 ATOM 1262 C CG . HIS 151 980 ? A -12.601 12.473 7.477 1.000 1 A 97.536 1 ATOM 1263 N ND1 . HIS 151 980 ? A -11.593 13.410 7.394 1.000 1 A 97.536 1 ATOM 1264 C CD2 . HIS 151 980 ? A -12.157 11.380 6.813 1.000 1 A 97.536 1 ATOM 1265 C CE1 . HIS 151 980 ? A -10.583 12.902 6.708 1.000 1 A 97.536 1 ATOM 1266 N NE2 . HIS 151 980 ? A -10.900 11.671 6.344 1.000 1 A 97.536 1 ATOM 1267 N N . PHE 152 981 ? A -13.455 10.265 10.987 1.000 1 A 97.793 1 ATOM 1268 C CA . PHE 152 981 ? A -13.421 8.837 11.283 1.000 1 A 97.793 1 ATOM 1269 C C . PHE 152 981 ? A -14.823 8.242 11.239 1.000 1 A 97.793 1 ATOM 1270 O O . PHE 152 981 ? A -15.011 7.118 10.768 1.000 1 A 97.793 1 ATOM 1271 C CB . PHE 152 981 ? A -12.786 8.587 12.654 1.000 1 A 97.793 1 ATOM 1272 C CG . PHE 152 981 ? A -12.787 7.140 13.068 1.000 1 A 97.793 1 ATOM 1273 C CD1 . PHE 152 981 ? A -13.563 6.708 14.137 1.000 1 A 97.793 1 ATOM 1274 C CD2 . PHE 152 981 ? A -12.011 6.210 12.388 1.000 1 A 97.793 1 ATOM 1275 C CE1 . PHE 152 981 ? A -13.566 5.370 14.522 1.000 1 A 97.793 1 ATOM 1276 C CE2 . PHE 152 981 ? A -12.008 4.871 12.767 1.000 1 A 97.793 1 ATOM 1277 C CZ . PHE 152 981 ? A -12.786 4.453 13.835 1.000 1 A 97.793 1 ATOM 1278 N N . MET 153 982 ? A -15.792 8.981 11.647 1.000 1 A 97.003 1 ATOM 1279 C CA . MET 153 982 ? A -17.173 8.511 11.717 1.000 1 A 97.003 1 ATOM 1280 C C . MET 153 982 ? A -17.745 8.293 10.320 1.000 1 A 97.003 1 ATOM 1281 O O . MET 153 982 ? A -18.752 7.601 10.158 1.000 1 A 97.003 1 ATOM 1282 C CB . MET 153 982 ? A -18.042 9.506 12.488 1.000 1 A 97.003 1 ATOM 1283 C CG . MET 153 982 ? A -17.708 9.592 13.969 1.000 1 A 97.003 1 ATOM 1284 S SD . MET 153 982 ? A -17.909 7.984 14.830 1.000 1 A 97.003 1 ATOM 1285 C CE . MET 153 982 ? A -16.172 7.588 15.177 1.000 1 A 97.003 1 ATOM 1286 N N . GLN 154 983 ? A -17.026 8.773 9.304 1.000 1 A 97.596 1 ATOM 1287 C CA . GLN 154 983 ? A -17.498 8.642 7.929 1.000 1 A 97.596 1 ATOM 1288 C C . GLN 154 983 ? A -16.885 7.420 7.251 1.000 1 A 97.596 1 ATOM 1289 O O . GLN 154 983 ? A -17.220 7.104 6.108 1.000 1 A 97.596 1 ATOM 1290 C CB . GLN 154 983 ? A -17.176 9.904 7.128 1.000 1 A 97.596 1 ATOM 1291 C CG . GLN 154 983 ? A -17.951 11.134 7.580 1.000 1 A 97.596 1 ATOM 1292 C CD . GLN 154 983 ? A -17.492 12.404 6.888 1.000 1 A 97.596 1 ATOM 1293 O OE1 . GLN 154 983 ? A -16.321 12.538 6.520 1.000 1 A 97.596 1 ATOM 1294 N NE2 . GLN 154 983 ? A -18.411 13.346 6.707 1.000 1 A 97.596 1 ATOM 1295 N N . PHE 155 984 ? A -16.018 6.732 7.958 1.000 1 A 98.161 1 ATOM 1296 C CA . PHE 155 984 ? A -15.470 5.490 7.425 1.000 1 A 98.161 1 ATOM 1297 C C . PHE 155 984 ? A -16.565 4.443 7.259 1.000 1 A 98.161 1 ATOM 1298 O O . PHE 155 984 ? A -17.579 4.480 7.960 1.000 1 A 98.161 1 ATOM 1299 C CB . PHE 155 984 ? A -14.364 4.953 8.339 1.000 1 A 98.161 1 ATOM 1300 C CG . PHE 155 984 ? A -13.054 5.680 8.198 1.000 1 A 98.161 1 ATOM 1301 C CD1 . PHE 155 984 ? A -13.024 7.026 7.855 1.000 1 A 98.161 1 ATOM 1302 C CD2 . PHE 155 984 ? A -11.852 5.017 8.409 1.000 1 A 98.161 1 ATOM 1303 C CE1 . PHE 155 984 ? A -11.812 7.702 7.724 1.000 1 A 98.161 1 ATOM 1304 C CE2 . PHE 155 984 ? A -10.638 5.685 8.280 1.000 1 A 98.161 1 ATOM 1305 C CZ . PHE 155 984 ? A -10.620 7.027 7.936 1.000 1 A 98.161 1 ATOM 1306 N N . PRO 156 985 ? A -16.344 3.498 6.261 1.000 1 A 97.897 1 ATOM 1307 C CA . PRO 156 985 ? A -17.249 2.347 6.246 1.000 1 A 97.897 1 ATOM 1308 C C . PRO 156 985 ? A -17.330 1.642 7.598 1.000 1 A 97.897 1 ATOM 1309 O O . PRO 156 985 ? A -16.316 1.496 8.284 1.000 1 A 97.897 1 ATOM 1310 C CB . PRO 156 985 ? A -16.633 1.428 5.188 1.000 1 A 97.897 1 ATOM 1311 C CG . PRO 156 985 ? A -15.823 2.336 4.319 1.000 1 A 97.897 1 ATOM 1312 C CD . PRO 156 985 ? A -15.255 3.432 5.173 1.000 1 A 97.897 1 ATOM 1313 N N . HIS 157 986 ? A -18.567 1.225 7.975 1.000 1 A 97.093 1 ATOM 1314 C CA . HIS 157 986 ? A -18.853 0.695 9.304 1.000 1 A 97.093 1 ATOM 1315 C C . HIS 157 986 ? A -17.968 -0.506 9.620 1.000 1 A 97.093 1 ATOM 1316 O O . HIS 157 986 ? A -17.453 -0.626 10.734 1.000 1 A 97.093 1 ATOM 1317 C CB . HIS 157 986 ? A -20.328 0.306 9.420 1.000 1 A 97.093 1 ATOM 1318 C CG . HIS 157 986 ? A -20.732 -0.111 10.798 1.000 1 A 97.093 1 ATOM 1319 N ND1 . HIS 157 986 ? A -20.789 -1.432 11.189 1.000 1 A 97.093 1 ATOM 1320 C CD2 . HIS 157 986 ? A -21.096 0.620 11.877 1.000 1 A 97.093 1 ATOM 1321 C CE1 . HIS 157 986 ? A -21.173 -1.494 12.453 1.000 1 A 97.093 1 ATOM 1322 N NE2 . HIS 157 986 ? A -21.365 -0.263 12.894 1.000 1 A 97.093 1 ATOM 1323 N N . HIS 158 987 ? A -17.790 -1.372 8.726 1.000 1 A 97.020 1 ATOM 1324 C CA . HIS 158 987 ? A -16.995 -2.568 8.982 1.000 1 A 97.020 1 ATOM 1325 C C . HIS 158 987 ? A -15.540 -2.212 9.268 1.000 1 A 97.020 1 ATOM 1326 O O . HIS 158 987 ? A -14.894 -2.848 10.104 1.000 1 A 97.020 1 ATOM 1327 C CB . HIS 158 987 ? A -17.076 -3.529 7.794 1.000 1 A 97.020 1 ATOM 1328 C CG . HIS 158 987 ? A -16.369 -3.035 6.573 1.000 1 A 97.020 1 ATOM 1329 N ND1 . HIS 158 987 ? A -16.925 -2.112 5.713 1.000 1 A 97.020 1 ATOM 1330 C CD2 . HIS 158 987 ? A -15.148 -3.334 6.070 1.000 1 A 97.020 1 ATOM 1331 C CE1 . HIS 158 987 ? A -16.074 -1.866 4.731 1.000 1 A 97.020 1 ATOM 1332 N NE2 . HIS 158 987 ? A -14.987 -2.594 4.924 1.000 1 A 97.020 1 ATOM 1333 N N . LEU 159 988 ? A -14.964 -1.192 8.688 1.000 1 A 98.187 1 ATOM 1334 C CA . LEU 159 988 ? A -13.600 -0.756 8.966 1.000 1 A 98.187 1 ATOM 1335 C C . LEU 159 988 ? A -13.505 -0.115 10.346 1.000 1 A 98.187 1 ATOM 1336 O O . LEU 159 988 ? A -12.506 -0.288 11.049 1.000 1 A 98.187 1 ATOM 1337 C CB . LEU 159 988 ? A -13.124 0.231 7.898 1.000 1 A 98.187 1 ATOM 1338 C CG . LEU 159 988 ? A -12.830 -0.355 6.516 1.000 1 A 98.187 1 ATOM 1339 C CD1 . LEU 159 988 ? A -12.353 0.740 5.567 1.000 1 A 98.187 1 ATOM 1340 C CD2 . LEU 159 988 ? A -11.796 -1.471 6.616 1.000 1 A 98.187 1 ATOM 1341 N N . GLN 160 989 ? A -14.541 0.684 10.650 1.000 1 A 98.090 1 ATOM 1342 C CA . GLN 160 989 ? A -14.600 1.248 11.995 1.000 1 A 98.090 1 ATOM 1343 C C . GLN 160 989 ? A -14.508 0.154 13.055 1.000 1 A 98.090 1 ATOM 1344 O O . GLN 160 989 ? A -13.786 0.300 14.044 1.000 1 A 98.090 1 ATOM 1345 C CB . GLN 160 989 ? A -15.885 2.054 12.183 1.000 1 A 98.090 1 ATOM 1346 C CG . GLN 160 989 ? A -15.956 3.309 11.323 1.000 1 A 98.090 1 ATOM 1347 C CD . GLN 160 989 ? A -17.263 4.062 11.489 1.000 1 A 98.090 1 ATOM 1348 O OE1 . GLN 160 989 ? A -17.864 4.058 12.568 1.000 1 A 98.090 1 ATOM 1349 N NE2 . GLN 160 989 ? A -17.712 4.712 10.421 1.000 1 A 98.090 1 ATOM 1350 N N . GLU 161 990 ? A -15.215 -0.935 12.854 1.000 1 A 97.236 1 ATOM 1351 C CA . GLU 161 990 ? A -15.219 -2.065 13.778 1.000 1 A 97.236 1 ATOM 1352 C C . GLU 161 990 ? A -13.832 -2.692 13.889 1.000 1 A 97.236 1 ATOM 1353 O O . GLU 161 990 ? A -13.355 -2.964 14.992 1.000 1 A 97.236 1 ATOM 1354 C CB . GLU 161 990 ? A -16.239 -3.118 13.335 1.000 1 A 97.236 1 ATOM 1355 C CG . GLU 161 990 ? A -17.686 -2.707 13.565 1.000 1 A 97.236 1 ATOM 1356 C CD . GLU 161 990 ? A -18.684 -3.794 13.199 1.000 1 A 97.236 1 ATOM 1357 O OE1 . GLU 161 990 ? A -19.875 -3.673 13.564 1.000 1 A 97.236 1 ATOM 1358 O OE2 . GLU 161 990 ? A -18.270 -4.776 12.543 1.000 1 A 97.236 1 ATOM 1359 N N . TYR 162 991 ? A -13.198 -2.914 12.762 1.000 1 A 97.984 1 ATOM 1360 C CA . TYR 162 991 ? A -11.865 -3.507 12.754 1.000 1 A 97.984 1 ATOM 1361 C C . TYR 162 991 ? A -10.861 -2.602 13.458 1.000 1 A 97.984 1 ATOM 1362 O O . TYR 162 991 ? A -9.966 -3.084 14.157 1.000 1 A 97.984 1 ATOM 1363 C CB . TYR 162 991 ? A -11.406 -3.778 11.318 1.000 1 A 97.984 1 ATOM 1364 C CG . TYR 162 991 ? A -11.815 -5.134 10.795 1.000 1 A 97.984 1 ATOM 1365 C CD1 . TYR 162 991 ? A -10.980 -6.240 10.943 1.000 1 A 97.984 1 ATOM 1366 C CD2 . TYR 162 991 ? A -13.035 -5.312 10.152 1.000 1 A 97.984 1 ATOM 1367 C CE1 . TYR 162 991 ? A -11.352 -7.491 10.461 1.000 1 A 97.984 1 ATOM 1368 C CE2 . TYR 162 991 ? A -13.417 -6.558 9.667 1.000 1 A 97.984 1 ATOM 1369 C CZ . TYR 162 991 ? A -12.570 -7.640 9.826 1.000 1 A 97.984 1 ATOM 1370 O OH . TYR 162 991 ? A -12.944 -8.876 9.347 1.000 1 A 97.984 1 ATOM 1371 N N . ILE 163 992 ? A -11.005 -1.307 13.293 1.000 1 A 98.153 1 ATOM 1372 C CA . ILE 163 992 ? A -10.095 -0.337 13.893 1.000 1 A 98.153 1 ATOM 1373 C C . ILE 163 992 ? A -10.308 -0.296 15.405 1.000 1 A 98.153 1 ATOM 1374 O O . ILE 163 992 ? A -9.344 -0.303 16.174 1.000 1 A 98.153 1 ATOM 1375 C CB . ILE 163 992 ? A -10.288 1.070 13.286 1.000 1 A 98.153 1 ATOM 1376 C CG1 . ILE 163 992 ? A -9.822 1.091 11.825 1.000 1 A 98.153 1 ATOM 1377 C CG2 . ILE 163 992 ? A -9.543 2.122 14.113 1.000 1 A 98.153 1 ATOM 1378 C CD1 . ILE 163 992 ? A -10.263 2.326 11.052 1.000 1 A 98.153 1 ATOM 1379 N N . GLU 164 993 ? A -11.497 -0.269 15.853 1.000 1 A 97.595 1 ATOM 1380 C CA . GLU 164 993 ? A -11.814 -0.254 17.278 1.000 1 A 97.595 1 ATOM 1381 C C . GLU 164 993 ? A -11.274 -1.498 17.977 1.000 1 A 97.595 1 ATOM 1382 O O . GLU 164 993 ? A -10.651 -1.400 19.036 1.000 1 A 97.595 1 ATOM 1383 C CB . GLU 164 993 ? A -13.326 -0.145 17.492 1.000 1 A 97.595 1 ATOM 1384 C CG . GLU 164 993 ? A -13.890 1.239 17.203 1.000 1 A 97.595 1 ATOM 1385 C CD . GLU 164 993 ? A -15.405 1.304 17.309 1.000 1 A 97.595 1 ATOM 1386 O OE1 . GLU 164 993 ? A -15.985 2.387 17.069 1.000 1 A 97.595 1 ATOM 1387 O OE2 . GLU 164 993 ? A -16.018 0.262 17.635 1.000 1 A 97.595 1 ATOM 1388 N N . TYR 165 994 ? A -11.516 -2.682 17.431 1.000 1 A 97.435 1 ATOM 1389 C CA . TYR 165 994 ? A -10.995 -3.922 17.996 1.000 1 A 97.435 1 ATOM 1390 C C . TYR 165 994 ? A -9.482 -4.003 17.832 1.000 1 A 97.435 1 ATOM 1391 O O . TYR 165 994 ? A -8.787 -4.551 18.691 1.000 1 A 97.435 1 ATOM 1392 C CB . TYR 165 994 ? A -11.658 -5.134 17.333 1.000 1 A 97.435 1 ATOM 1393 C CG . TYR 165 994 ? A -13.013 -5.473 17.906 1.000 1 A 97.435 1 ATOM 1394 C CD1 . TYR 165 994 ? A -13.140 -6.377 18.957 1.000 1 A 97.435 1 ATOM 1395 C CD2 . TYR 165 994 ? A -14.168 -4.890 17.396 1.000 1 A 97.435 1 ATOM 1396 C CE1 . TYR 165 994 ? A -14.387 -6.694 19.487 1.000 1 A 97.435 1 ATOM 1397 C CE2 . TYR 165 994 ? A -15.420 -5.200 17.917 1.000 1 A 97.435 1 ATOM 1398 C CZ . TYR 165 994 ? A -15.519 -6.101 18.961 1.000 1 A 97.435 1 ATOM 1399 O OH . TYR 165 994 ? A -16.756 -6.411 19.481 1.000 1 A 97.435 1 ATOM 1400 N N . GLY 166 995 ? A -9.012 -3.487 16.704 1.000 1 A 97.765 1 ATOM 1401 C CA . GLY 166 995 ? A -7.578 -3.441 16.468 1.000 1 A 97.765 1 ATOM 1402 C C . GLY 166 995 ? A -6.824 -2.656 17.524 1.000 1 A 97.765 1 ATOM 1403 O O . GLY 166 995 ? A -5.690 -2.998 17.868 1.000 1 A 97.765 1 ATOM 1404 N N . GLN 167 996 ? A -7.463 -1.574 18.110 1.000 1 A 97.422 1 ATOM 1405 C CA . GLN 167 996 ? A -6.857 -0.794 19.184 1.000 1 A 97.422 1 ATOM 1406 C C . GLN 167 996 ? A -6.580 -1.664 20.407 1.000 1 A 97.422 1 ATOM 1407 O O . GLN 167 996 ? A -5.652 -1.391 21.172 1.000 1 A 97.422 1 ATOM 1408 C CB . GLN 167 996 ? A -7.757 0.381 19.569 1.000 1 A 97.422 1 ATOM 1409 C CG . GLN 167 996 ? A -7.826 1.475 18.511 1.000 1 A 97.422 1 ATOM 1410 C CD . GLN 167 996 ? A -8.697 2.644 18.932 1.000 1 A 97.422 1 ATOM 1411 O OE1 . GLN 167 996 ? A -9.928 2.549 18.933 1.000 1 A 97.422 1 ATOM 1412 N NE2 . GLN 167 996 ? A -8.063 3.755 19.291 1.000 1 A 97.422 1 ATOM 1413 N N . GLN 168 997 ? A -7.344 -2.702 20.554 1.000 1 A 97.463 1 ATOM 1414 C CA . GLN 168 997 ? A -7.226 -3.640 21.666 1.000 1 A 97.463 1 ATOM 1415 C C . GLN 168 997 ? A -6.453 -4.889 21.252 1.000 1 A 97.463 1 ATOM 1416 O O . GLN 168 997 ? A -6.422 -5.878 21.987 1.000 1 A 97.463 1 ATOM 1417 C CB . GLN 168 997 ? A -8.609 -4.028 22.191 1.000 1 A 97.463 1 ATOM 1418 C CG . GLN 168 997 ? A -9.437 -2.846 22.676 1.000 1 A 97.463 1 ATOM 1419 C CD . GLN 168 997 ? A -10.881 -3.216 22.955 1.000 1 A 97.463 1 ATOM 1420 O OE1 . GLN 168 997 ? A -11.170 -4.298 23.477 1.000 1 A 97.463 1 ATOM 1421 N NE2 . GLN 168 997 ? A -11.800 -2.321 22.608 1.000 1 A 97.463 1 ATOM 1422 N N . SER 169 998 ? A -5.923 -4.883 20.035 1.000 1 A 97.199 1 ATOM 1423 C CA . SER 169 998 ? A -5.162 -6.006 19.496 1.000 1 A 97.199 1 ATOM 1424 C C . SER 169 998 ? A -6.031 -7.252 19.369 1.000 1 A 97.199 1 ATOM 1425 O O . SER 169 998 ? A -5.574 -8.364 19.642 1.000 1 A 97.199 1 ATOM 1426 C CB . SER 169 998 ? A -3.951 -6.306 20.381 1.000 1 A 97.199 1 ATOM 1427 O OG . SER 169 998 ? A -3.077 -5.192 20.433 1.000 1 A 97.199 1 ATOM 1428 N N . ARG 170 999 ? A -7.342 -7.018 19.024 1.000 1 A 96.537 1 ATOM 1429 C CA . ARG 170 999 ? A -8.281 -8.123 18.866 1.000 1 A 96.537 1 ATOM 1430 C C . ARG 170 999 ? A -8.972 -8.064 17.507 1.000 1 A 96.537 1 ATOM 1431 O O . ARG 170 999 ? A -9.039 -7.002 16.885 1.000 1 A 96.537 1 ATOM 1432 C CB . ARG 170 999 ? A -9.324 -8.108 19.985 1.000 1 A 96.537 1 ATOM 1433 C CG . ARG 170 999 ? A -8.738 -8.293 21.376 1.000 1 A 96.537 1 ATOM 1434 C CD . ARG 170 999 ? A -9.825 -8.422 22.433 1.000 1 A 96.537 1 ATOM 1435 N NE . ARG 170 999 ? A -9.265 -8.722 23.748 1.000 1 A 96.537 1 ATOM 1436 C CZ . ARG 170 999 ? A -9.981 -9.049 24.820 1.000 1 A 96.537 1 ATOM 1437 N NH1 . ARG 170 999 ? A -11.306 -9.125 24.754 1.000 1 A 96.537 1 ATOM 1438 N NH2 . ARG 170 999 ? A -9.369 -9.302 25.968 1.000 1 A 96.537 1 ATOM 1439 N N . ASP 171 1000 ? A -9.386 -9.201 17.065 1.000 1 A 93.422 1 ATOM 1440 C CA . ASP 171 1000 ? A -10.212 -9.279 15.864 1.000 1 A 93.422 1 ATOM 1441 C C . ASP 171 1000 ? A -11.691 -9.111 16.203 1.000 1 A 93.422 1 ATOM 1442 O O . ASP 171 1000 ? A -12.129 -9.478 17.296 1.000 1 A 93.422 1 ATOM 1443 C CB . ASP 171 1000 ? A -9.986 -10.610 15.143 1.000 1 A 93.422 1 ATOM 1444 C CG . ASP 171 1000 ? A -8.619 -10.704 14.487 1.000 1 A 93.422 1 ATOM 1445 O OD1 . ASP 171 1000 ? A -8.394 -10.046 13.449 1.000 1 A 93.422 1 ATOM 1446 O OD2 . ASP 171 1000 ? A -7.761 -11.446 15.012 1.000 1 A 93.422 1 ATOM 1447 N N . PRO 172 1001 ? A -12.395 -8.358 15.216 1.000 1 A 92.387 1 ATOM 1448 C CA . PRO 172 1001 ? A -13.829 -8.238 15.490 1.000 1 A 92.387 1 ATOM 1449 C C . PRO 172 1001 ? A -14.534 -9.591 15.550 1.000 1 A 92.387 1 ATOM 1450 O O . PRO 172 1001 ? A -14.076 -10.558 14.936 1.000 1 A 92.387 1 ATOM 1451 C CB . PRO 172 1001 ? A -14.345 -7.405 14.314 1.000 1 A 92.387 1 ATOM 1452 C CG . PRO 172 1001 ? A -13.305 -7.560 13.252 1.000 1 A 92.387 1 ATOM 1453 C CD . PRO 172 1001 ? A -12.005 -7.931 13.907 1.000 1 A 92.387 1 ATOM 1454 N N . PRO 173 1002 ? A -15.554 -9.770 16.443 1.000 1 A 89.296 1 ATOM 1455 C CA . PRO 173 1002 ? A -16.320 -11.015 16.534 1.000 1 A 89.296 1 ATOM 1456 C C . PRO 173 1002 ? A -16.984 -11.396 15.212 1.000 1 A 89.296 1 ATOM 1457 O O . PRO 173 1002 ? A -17.470 -10.524 14.487 1.000 1 A 89.296 1 ATOM 1458 C CB . PRO 173 1002 ? A -17.371 -10.706 17.603 1.000 1 A 89.296 1 ATOM 1459 C CG . PRO 173 1002 ? A -16.918 -9.423 18.224 1.000 1 A 89.296 1 ATOM 1460 C CD . PRO 173 1002 ? A -15.923 -8.774 17.305 1.000 1 A 89.296 1 ATOM 1461 N N . VAL 174 1003 ? A -16.586 -12.526 14.552 1.000 1 A 81.107 1 ATOM 1462 C CA . VAL 174 1003 ? A -17.188 -13.063 13.336 1.000 1 A 81.107 1 ATOM 1463 C C . VAL 174 1003 ? A -18.699 -13.188 13.518 1.000 1 A 81.107 1 ATOM 1464 O O . VAL 174 1003 ? A -19.166 -13.811 14.474 1.000 1 A 81.107 1 ATOM 1465 C CB . VAL 174 1003 ? A -16.582 -14.434 12.961 1.000 1 A 81.107 1 ATOM 1466 C CG1 . VAL 174 1003 ? A -17.191 -14.956 11.661 1.000 1 A 81.107 1 ATOM 1467 C CG2 . VAL 174 1003 ? A -15.062 -14.330 12.839 1.000 1 A 81.107 1 ATOM 1468 N N . LYS 175 1004 ? A -19.476 -12.161 13.089 1.000 1 A 74.986 1 ATOM 1469 C CA . LYS 175 1004 ? A -20.926 -12.297 13.188 1.000 1 A 74.986 1 ATOM 1470 C C . LYS 175 1004 ? A -21.403 -13.592 12.536 1.000 1 A 74.986 1 ATOM 1471 O O . LYS 175 1004 ? A -21.072 -13.869 11.381 1.000 1 A 74.986 1 ATOM 1472 C CB . LYS 175 1004 ? A -21.624 -11.098 12.544 1.000 1 A 74.986 1 ATOM 1473 C CG . LYS 175 1004 ? A -21.362 -9.776 13.251 1.000 1 A 74.986 1 ATOM 1474 C CD . LYS 175 1004 ? A -22.100 -8.627 12.578 1.000 1 A 74.986 1 ATOM 1475 C CE . LYS 175 1004 ? A -21.758 -7.289 13.220 1.000 1 A 74.986 1 ATOM 1476 N NZ . LYS 175 1004 ? A -22.465 -6.156 12.551 1.000 1 A 74.986 1 ATOM 1477 N N . MET 176 1005 ? A -21.277 -14.753 13.226 1.000 1 A 66.345 1 ATOM 1478 C CA . MET 176 1005 ? A -21.851 -16.000 12.730 1.000 1 A 66.345 1 ATOM 1479 C C . MET 176 1005 ? A -23.199 -15.751 12.062 1.000 1 A 66.345 1 ATOM 1480 O O . MET 176 1005 ? A -24.078 -15.115 12.646 1.000 1 A 66.345 1 ATOM 1481 C CB . MET 176 1005 ? A -22.011 -17.009 13.869 1.000 1 A 66.345 1 ATOM 1482 C CG . MET 176 1005 ? A -20.985 -18.131 13.842 1.000 1 A 66.345 1 ATOM 1483 S SD . MET 176 1005 ? A -21.279 -19.385 15.149 1.000 1 A 66.345 1 ATOM 1484 C CE . MET 176 1005 ? A -20.520 -20.839 14.374 1.000 1 A 66.345 1 ATOM 1485 N N . GLN 177 1006 ? A -23.382 -15.278 10.843 1.000 1 A 46.529 1 ATOM 1486 C CA . GLN 177 1006 ? A -24.664 -15.330 10.148 1.000 1 A 46.529 1 ATOM 1487 C C . GLN 177 1006 ? A -25.311 -16.705 10.289 1.000 1 A 46.529 1 ATOM 1488 O O . GLN 177 1006 ? A -24.630 -17.729 10.204 1.000 1 A 46.529 1 ATOM 1489 C CB . GLN 177 1006 ? A -24.488 -14.982 8.669 1.000 1 A 46.529 1 ATOM 1490 C CG . GLN 177 1006 ? A -25.618 -14.135 8.098 1.000 1 A 46.529 1 ATOM 1491 C CD . GLN 177 1006 ? A -25.144 -13.168 7.029 1.000 1 A 46.529 1 ATOM 1492 O OE1 . GLN 177 1006 ? A -23.954 -13.121 6.699 1.000 1 A 46.529 1 ATOM 1493 N NE2 . GLN 177 1006 ? A -26.070 -12.389 6.481 1.000 1 A 46.529 1 ATOM 1494 N N . GLY 1 399 ? B -36.938 4.267 27.359 1.000 2 B 35.571 1 ATOM 1495 C CA . GLY 1 399 ? B -37.299 3.578 28.588 1.000 2 B 35.571 1 ATOM 1496 C C . GLY 1 399 ? B -36.520 2.295 28.804 1.000 2 B 35.571 1 ATOM 1497 O O . GLY 1 399 ? B -36.633 1.353 28.017 1.000 2 B 35.571 1 ATOM 1498 N N . GLY 2 400 ? B -35.343 2.323 29.448 1.000 2 B 42.684 1 ATOM 1499 C CA . GLY 2 400 ? B -34.971 1.400 30.508 1.000 2 B 42.684 1 ATOM 1500 C C . GLY 2 400 ? B -33.502 1.478 30.879 1.000 2 B 42.684 1 ATOM 1501 O O . GLY 2 400 ? B -32.631 1.298 30.026 1.000 2 B 42.684 1 ATOM 1502 N N . GLY 3 401 ? B -33.095 2.244 31.873 1.000 2 B 31.061 1 ATOM 1503 C CA . GLY 3 401 ? B -32.794 2.093 33.287 1.000 2 B 31.061 1 ATOM 1504 C C . GLY 3 401 ? B -31.912 0.894 33.585 1.000 2 B 31.061 1 ATOM 1505 O O . GLY 3 401 ? B -32.141 -0.197 33.060 1.000 2 B 31.061 1 ATOM 1506 N N . GLY 4 402 ? B -30.649 1.156 34.043 1.000 2 B 42.651 1 ATOM 1507 C CA . GLY 4 402 ? B -30.190 0.514 35.264 1.000 2 B 42.651 1 ATOM 1508 C C . GLY 4 402 ? B -28.741 0.822 35.592 1.000 2 B 42.651 1 ATOM 1509 O O . GLY 4 402 ? B -27.879 0.787 34.712 1.000 2 B 42.651 1 ATOM 1510 N N . SER 5 403 ? B -28.460 1.731 36.537 1.000 2 B 38.153 1 ATOM 1511 C CA . SER 5 403 ? B -28.248 1.753 37.981 1.000 2 B 38.153 1 ATOM 1512 C C . SER 5 403 ? B -27.043 0.905 38.376 1.000 2 B 38.153 1 ATOM 1513 O O . SER 5 403 ? B -26.907 -0.236 37.929 1.000 2 B 38.153 1 ATOM 1514 C CB . SER 5 403 ? B -29.494 1.256 38.714 1.000 2 B 38.153 1 ATOM 1515 O OG . SER 5 403 ? B -29.363 1.443 40.113 1.000 2 B 38.153 1 ATOM 1516 N N . GLY 6 404 ? B -25.961 1.543 38.868 1.000 2 B 32.889 1 ATOM 1517 C CA . GLY 6 404 ? B -25.569 1.770 40.250 1.000 2 B 32.889 1 ATOM 1518 C C . GLY 6 404 ? B -24.992 0.535 40.917 1.000 2 B 32.889 1 ATOM 1519 O O . GLY 6 404 ? B -25.544 -0.560 40.792 1.000 2 B 32.889 1 ATOM 1520 N N . GLY 7 405 ? B -23.660 0.594 41.325 1.000 2 B 38.371 1 ATOM 1521 C CA . GLY 7 405 ? B -23.278 0.202 42.672 1.000 2 B 38.371 1 ATOM 1522 C C . GLY 7 405 ? B -21.776 0.101 42.861 1.000 2 B 38.371 1 ATOM 1523 O O . GLY 7 405 ? B -21.079 -0.490 42.033 1.000 2 B 38.371 1 ATOM 1524 N N . GLY 8 406 ? B -21.117 1.073 43.461 1.000 2 B 31.027 1 ATOM 1525 C CA . GLY 8 406 ? B -20.668 1.366 44.813 1.000 2 B 31.027 1 ATOM 1526 C C . GLY 8 406 ? B -20.167 0.140 45.554 1.000 2 B 31.027 1 ATOM 1527 O O . GLY 8 406 ? B -20.771 -0.931 45.471 1.000 2 B 31.027 1 ATOM 1528 N N . GLY 9 407 ? B -18.861 0.181 45.948 1.000 2 B 35.776 1 ATOM 1529 C CA . GLY 9 407 ? B -18.395 -0.051 47.306 1.000 2 B 35.776 1 ATOM 1530 C C . GLY 9 407 ? B -16.997 -0.636 47.366 1.000 2 B 35.776 1 ATOM 1531 O O . GLY 9 407 ? B -16.659 -1.531 46.587 1.000 2 B 35.776 1 ATOM 1532 N N . SER 10 408 ? B -16.022 0.125 47.802 1.000 2 B 31.155 1 ATOM 1533 C CA . SER 10 408 ? B -15.267 0.337 49.033 1.000 2 B 31.155 1 ATOM 1534 C C . SER 10 408 ? B -15.163 -0.950 49.846 1.000 2 B 31.155 1 ATOM 1535 O O . SER 10 408 ? B -16.144 -1.682 49.986 1.000 2 B 31.155 1 ATOM 1536 C CB . SER 10 408 ? B -15.916 1.433 49.879 1.000 2 B 31.155 1 ATOM 1537 O OG . SER 10 408 ? B -17.278 1.134 50.131 1.000 2 B 31.155 1 ATOM 1538 N N . SER 11 409 ? B -13.908 -1.445 50.079 1.000 2 B 38.784 1 ATOM 1539 C CA . SER 11 409 ? B -13.368 -1.935 51.342 1.000 2 B 38.784 1 ATOM 1540 C C . SER 11 409 ? B -12.022 -2.624 51.138 1.000 2 B 38.784 1 ATOM 1541 O O . SER 11 409 ? B -11.855 -3.403 50.197 1.000 2 B 38.784 1 ATOM 1542 C CB . SER 11 409 ? B -14.349 -2.902 52.007 1.000 2 B 38.784 1 ATOM 1543 O OG . SER 11 409 ? B -14.705 -3.947 51.119 1.000 2 B 38.784 1 ATOM 1544 N N . SER 12 410 ? B -10.929 -2.058 51.579 1.000 2 B 33.547 1 ATOM 1545 C CA . SER 12 410 ? B -10.005 -2.221 52.696 1.000 2 B 33.547 1 ATOM 1546 C C . SER 12 410 ? B -9.771 -3.695 53.010 1.000 2 B 33.547 1 ATOM 1547 O O . SER 12 410 ? B -10.720 -4.478 53.083 1.000 2 B 33.547 1 ATOM 1548 C CB . SER 12 410 ? B -10.535 -1.505 53.939 1.000 2 B 33.547 1 ATOM 1549 O OG . SER 12 410 ? B -11.909 -1.790 54.136 1.000 2 B 33.547 1 ATOM 1550 N N . SER 13 411 ? B -8.517 -4.179 52.842 1.000 2 B 39.825 1 ATOM 1551 C CA . SER 13 411 ? B -7.862 -5.085 53.781 1.000 2 B 39.825 1 ATOM 1552 C C . SER 13 411 ? B -6.469 -5.471 53.295 1.000 2 B 39.825 1 ATOM 1553 O O . SER 13 411 ? B -6.290 -5.835 52.131 1.000 2 B 39.825 1 ATOM 1554 C CB . SER 13 411 ? B -8.705 -6.344 53.989 1.000 2 B 39.825 1 ATOM 1555 O OG . SER 13 411 ? B -9.927 -6.254 53.277 1.000 2 B 39.825 1 ATOM 1556 N N . SER 14 412 ? B -5.407 -4.877 53.798 1.000 2 B 34.478 1 ATOM 1557 C CA . SER 14 412 ? B -4.229 -5.178 54.606 1.000 2 B 34.478 1 ATOM 1558 C C . SER 14 412 ? B -4.221 -6.637 55.049 1.000 2 B 34.478 1 ATOM 1559 O O . SER 14 412 ? B -5.211 -7.133 55.589 1.000 2 B 34.478 1 ATOM 1560 C CB . SER 14 412 ? B -4.172 -4.264 55.831 1.000 2 B 34.478 1 ATOM 1561 O OG . SER 14 412 ? B -5.435 -4.199 56.470 1.000 2 B 34.478 1 ATOM 1562 N N . ASN 15 413 ? B -3.336 -7.512 54.492 1.000 2 B 40.586 1 ATOM 1563 C CA . ASN 15 413 ? B -2.735 -8.698 55.093 1.000 2 B 40.586 1 ATOM 1564 C C . ASN 15 413 ? B -1.364 -8.997 54.494 1.000 2 B 40.586 1 ATOM 1565 O O . ASN 15 413 ? B -1.210 -9.034 53.272 1.000 2 B 40.586 1 ATOM 1566 C CB . ASN 15 413 ? B -3.659 -9.907 54.933 1.000 2 B 40.586 1 ATOM 1567 C CG . ASN 15 413 ? B -3.725 -10.761 56.184 1.000 2 B 40.586 1 ATOM 1568 O OD1 . ASN 15 413 ? B -3.473 -10.281 57.292 1.000 2 B 40.586 1 ATOM 1569 N ND2 . ASN 15 413 ? B -4.066 -12.033 56.016 1.000 2 B 40.586 1 ATOM 1570 N N . SER 16 414 ? B -0.267 -8.619 55.101 1.000 2 B 32.871 1 ATOM 1571 C CA . SER 16 414 ? B 0.945 -9.140 55.725 1.000 2 B 32.871 1 ATOM 1572 C C . SER 16 414 ? B 0.842 -10.642 55.963 1.000 2 B 32.871 1 ATOM 1573 O O . SER 16 414 ? B -0.190 -11.134 56.424 1.000 2 B 32.871 1 ATOM 1574 C CB . SER 16 414 ? B 1.217 -8.424 57.049 1.000 2 B 32.871 1 ATOM 1575 O OG . SER 16 414 ? B 0.070 -8.452 57.881 1.000 2 B 32.871 1 ATOM 1576 N N . SER 17 415 ? B 1.731 -11.477 55.279 1.000 2 B 37.114 1 ATOM 1577 C CA . SER 17 415 ? B 2.415 -12.658 55.793 1.000 2 B 37.114 1 ATOM 1578 C C . SER 17 415 ? B 3.247 -13.333 54.707 1.000 2 B 37.114 1 ATOM 1579 O O . SER 17 415 ? B 2.787 -13.490 53.574 1.000 2 B 37.114 1 ATOM 1580 C CB . SER 17 415 ? B 1.408 -13.655 56.368 1.000 2 B 37.114 1 ATOM 1581 O OG . SER 17 415 ? B 1.521 -14.912 55.725 1.000 2 B 37.114 1 ATOM 1582 N N . ALA 18 416 ? B 4.580 -13.247 54.705 1.000 2 B 34.250 1 ATOM 1583 C CA . ALA 18 416 ? B 5.694 -14.102 55.107 1.000 2 B 34.250 1 ATOM 1584 C C . ALA 18 416 ? B 5.485 -15.537 54.630 1.000 2 B 34.250 1 ATOM 1585 O O . ALA 18 416 ? B 4.401 -16.101 54.798 1.000 2 B 34.250 1 ATOM 1586 C CB . ALA 18 416 ? B 5.871 -14.069 56.623 1.000 2 B 34.250 1 ATOM 1587 N N . GLY 19 417 ? B 6.312 -16.013 53.678 1.000 2 B 34.641 1 ATOM 1588 C CA . GLY 19 417 ? B 7.040 -17.269 53.760 1.000 2 B 34.641 1 ATOM 1589 C C . GLY 19 417 ? B 7.199 -17.956 52.417 1.000 2 B 34.641 1 ATOM 1590 O O . GLY 19 417 ? B 6.253 -18.017 51.630 1.000 2 B 34.641 1 ATOM 1591 N N . GLY 20 418 ? B 8.424 -17.972 51.841 1.000 2 B 30.341 1 ATOM 1592 C CA . GLY 20 418 ? B 9.436 -18.983 51.579 1.000 2 B 30.341 1 ATOM 1593 C C . GLY 20 418 ? B 8.885 -20.212 50.880 1.000 2 B 30.341 1 ATOM 1594 O O . GLY 20 418 ? B 7.865 -20.765 51.298 1.000 2 B 30.341 1 ATOM 1595 N N . GLY 21 419 ? B 9.200 -20.401 49.592 1.000 2 B 35.677 1 ATOM 1596 C CA . GLY 21 419 ? B 9.537 -21.691 49.012 1.000 2 B 35.677 1 ATOM 1597 C C . GLY 21 419 ? B 9.855 -21.615 47.531 1.000 2 B 35.677 1 ATOM 1598 O O . GLY 21 419 ? B 9.175 -20.913 46.779 1.000 2 B 35.677 1 ATOM 1599 N N . ALA 22 420 ? B 11.133 -21.592 47.100 1.000 2 B 33.305 1 ATOM 1600 C CA . ALA 22 420 ? B 12.051 -22.360 46.262 1.000 2 B 33.305 1 ATOM 1601 C C . ALA 22 420 ? B 11.320 -23.485 45.535 1.000 2 B 33.305 1 ATOM 1602 O O . ALA 22 420 ? B 10.657 -24.312 46.166 1.000 2 B 33.305 1 ATOM 1603 C CB . ALA 22 420 ? B 13.191 -22.927 47.104 1.000 2 B 33.305 1 ATOM 1604 N N . GLY 23 421 ? B 10.943 -23.357 44.281 1.000 2 B 35.584 1 ATOM 1605 C CA . GLY 23 421 ? B 10.895 -24.448 43.320 1.000 2 B 35.584 1 ATOM 1606 C C . GLY 23 421 ? B 10.777 -23.973 41.884 1.000 2 B 35.584 1 ATOM 1607 O O . GLY 23 421 ? B 10.037 -23.030 41.595 1.000 2 B 35.584 1 ATOM 1608 N N . LYS 24 422 ? B 11.853 -23.842 41.104 1.000 2 B 36.734 1 ATOM 1609 C CA . LYS 24 422 ? B 12.382 -24.387 39.857 1.000 2 B 36.734 1 ATOM 1610 C C . LYS 24 422 ? B 11.277 -25.032 39.026 1.000 2 B 36.734 1 ATOM 1611 O O . LYS 24 422 ? B 10.557 -25.906 39.513 1.000 2 B 36.734 1 ATOM 1612 C CB . LYS 24 422 ? B 13.486 -25.406 40.143 1.000 2 B 36.734 1 ATOM 1613 C CG . LYS 24 422 ? B 14.851 -24.785 40.400 1.000 2 B 36.734 1 ATOM 1614 C CD . LYS 24 422 ? B 15.888 -25.843 40.756 1.000 2 B 36.734 1 ATOM 1615 C CE . LYS 24 422 ? B 17.307 -25.311 40.600 1.000 2 B 36.734 1 ATOM 1616 N NZ . LYS 24 422 ? B 18.327 -26.351 40.925 1.000 2 B 36.734 1 ATOM 1617 N N . GLN 25 423 ? B 10.638 -24.377 38.114 1.000 2 B 36.431 1 ATOM 1618 C CA . GLN 25 423 ? B 9.970 -25.039 36.998 1.000 2 B 36.431 1 ATOM 1619 C C . GLN 25 423 ? B 10.126 -24.238 35.709 1.000 2 B 36.431 1 ATOM 1620 O O . GLN 25 423 ? B 9.834 -23.040 35.678 1.000 2 B 36.431 1 ATOM 1621 C CB . GLN 25 423 ? B 8.487 -25.251 37.309 1.000 2 B 36.431 1 ATOM 1622 C CG . GLN 25 423 ? B 7.987 -26.655 36.995 1.000 2 B 36.431 1 ATOM 1623 C CD . GLN 25 423 ? B 6.554 -26.880 37.440 1.000 2 B 36.431 1 ATOM 1624 O OE1 . GLN 25 423 ? B 5.988 -26.077 38.187 1.000 2 B 36.431 1 ATOM 1625 N NE2 . GLN 25 423 ? B 5.958 -27.977 36.983 1.000 2 B 36.431 1 ATOM 1626 N N . ASN 26 424 ? B 11.161 -24.427 34.901 1.000 2 B 35.981 1 ATOM 1627 C CA . ASN 26 424 ? B 11.436 -24.794 33.516 1.000 2 B 35.981 1 ATOM 1628 C C . ASN 26 424 ? B 10.172 -25.262 32.799 1.000 2 B 35.981 1 ATOM 1629 O O . ASN 26 424 ? B 9.561 -26.256 33.194 1.000 2 B 35.981 1 ATOM 1630 C CB . ASN 26 424 ? B 12.515 -25.877 33.452 1.000 2 B 35.981 1 ATOM 1631 C CG . ASN 26 424 ? B 13.693 -25.477 32.585 1.000 2 B 35.981 1 ATOM 1632 O OD1 . ASN 26 424 ? B 13.941 -24.289 32.364 1.000 2 B 35.981 1 ATOM 1633 N ND2 . ASN 26 424 ? B 14.427 -26.466 32.090 1.000 2 B 35.981 1 ATOM 1634 N N . GLY 27 425 ? B 9.367 -24.471 32.151 1.000 2 B 36.328 1 ATOM 1635 C CA . GLY 27 425 ? B 8.302 -24.803 31.218 1.000 2 B 36.328 1 ATOM 1636 C C . GLY 27 425 ? B 8.528 -24.235 29.829 1.000 2 B 36.328 1 ATOM 1637 O O . GLY 27 425 ? B 8.623 -23.018 29.659 1.000 2 B 36.328 1 ATOM 1638 N N . ALA 28 426 ? B 9.394 -24.843 29.012 1.000 2 B 43.843 1 ATOM 1639 C CA . ALA 28 426 ? B 9.518 -24.907 27.558 1.000 2 B 43.843 1 ATOM 1640 C C . ALA 28 426 ? B 8.638 -26.012 26.981 1.000 2 B 43.843 1 ATOM 1641 O O . ALA 28 426 ? B 8.663 -27.148 27.460 1.000 2 B 43.843 1 ATOM 1642 C CB . ALA 28 426 ? B 10.974 -25.126 27.157 1.000 2 B 43.843 1 ATOM 1643 N N . THR 29 427 ? B 7.423 -25.836 26.707 1.000 2 B 42.593 1 ATOM 1644 C CA . THR 29 427 ? B 6.356 -26.419 25.901 1.000 2 B 42.593 1 ATOM 1645 C C . THR 29 427 ? B 6.808 -26.600 24.455 1.000 2 B 42.593 1 ATOM 1646 O O . THR 29 427 ? B 7.307 -25.660 23.833 1.000 2 B 42.593 1 ATOM 1647 C CB . THR 29 427 ? B 5.086 -25.549 25.940 1.000 2 B 42.593 1 ATOM 1648 O OG1 . THR 29 427 ? B 5.415 -24.216 25.529 1.000 2 B 42.593 1 ATOM 1649 C CG2 . THR 29 427 ? B 4.494 -25.503 27.345 1.000 2 B 42.593 1 ATOM 1650 N N . SER 30 428 ? B 7.480 -27.734 24.050 1.000 2 B 39.978 1 ATOM 1651 C CA . SER 30 428 ? B 7.611 -28.617 22.896 1.000 2 B 39.978 1 ATOM 1652 C C . SER 30 428 ? B 6.315 -29.376 22.632 1.000 2 B 39.978 1 ATOM 1653 O O . SER 30 428 ? B 5.724 -29.946 23.552 1.000 2 B 39.978 1 ATOM 1654 C CB . SER 30 428 ? B 8.758 -29.607 23.104 1.000 2 B 39.978 1 ATOM 1655 O OG . SER 30 428 ? B 10.008 -28.940 23.079 1.000 2 B 39.978 1 ATOM 1656 N N . TYR 31 429 ? B 5.462 -28.951 21.716 1.000 2 B 43.440 1 ATOM 1657 C CA . TYR 31 429 ? B 4.384 -29.700 21.080 1.000 2 B 43.440 1 ATOM 1658 C C . TYR 31 429 ? B 4.717 -30.003 19.624 1.000 2 B 43.440 1 ATOM 1659 O O . TYR 31 429 ? B 5.270 -29.157 18.918 1.000 2 B 43.440 1 ATOM 1660 C CB . TYR 31 429 ? B 3.067 -28.924 21.164 1.000 2 B 43.440 1 ATOM 1661 C CG . TYR 31 429 ? B 3.081 -27.619 20.405 1.000 2 B 43.440 1 ATOM 1662 C CD1 . TYR 31 429 ? B 3.485 -26.437 21.022 1.000 2 B 43.440 1 ATOM 1663 C CD2 . TYR 31 429 ? B 2.691 -27.566 19.071 1.000 2 B 43.440 1 ATOM 1664 C CE1 . TYR 31 429 ? B 3.498 -25.232 20.327 1.000 2 B 43.440 1 ATOM 1665 C CE2 . TYR 31 429 ? B 2.700 -26.366 18.367 1.000 2 B 43.440 1 ATOM 1666 C CZ . TYR 31 429 ? B 3.105 -25.206 19.002 1.000 2 B 43.440 1 ATOM 1667 O OH . TYR 31 429 ? B 3.116 -24.016 18.310 1.000 2 B 43.440 1 ATOM 1668 N N . SER 32 430 ? B 5.067 -31.281 19.283 1.000 2 B 38.935 1 ATOM 1669 C CA . SER 32 430 ? B 4.371 -32.464 18.788 1.000 2 B 38.935 1 ATOM 1670 C C . SER 32 430 ? B 4.533 -32.609 17.279 1.000 2 B 38.935 1 ATOM 1671 O O . SER 32 430 ? B 4.290 -31.660 16.529 1.000 2 B 38.935 1 ATOM 1672 C CB . SER 32 430 ? B 2.886 -32.402 19.146 1.000 2 B 38.935 1 ATOM 1673 O OG . SER 32 430 ? B 2.617 -33.165 20.310 1.000 2 B 38.935 1 ATOM 1674 N N . SER 33 431 ? B 5.504 -33.412 16.819 1.000 2 B 34.242 1 ATOM 1675 C CA . SER 33 431 ? B 5.809 -34.525 15.926 1.000 2 B 34.242 1 ATOM 1676 C C . SER 33 431 ? B 4.655 -35.520 15.870 1.000 2 B 34.242 1 ATOM 1677 O O . SER 33 431 ? B 4.200 -36.010 16.905 1.000 2 B 34.242 1 ATOM 1678 C CB . SER 33 431 ? B 7.086 -35.236 16.374 1.000 2 B 34.242 1 ATOM 1679 O OG . SER 33 431 ? B 6.860 -35.977 17.561 1.000 2 B 34.242 1 ATOM 1680 N N . VAL 34 432 ? B 3.741 -35.466 14.905 1.000 2 B 51.458 1 ATOM 1681 C CA . VAL 34 432 ? B 2.917 -36.556 14.394 1.000 2 B 51.458 1 ATOM 1682 C C . VAL 34 432 ? B 3.420 -36.983 13.017 1.000 2 B 51.458 1 ATOM 1683 O O . VAL 34 432 ? B 3.731 -36.139 12.173 1.000 2 B 51.458 1 ATOM 1684 C CB . VAL 34 432 ? B 1.427 -36.153 14.316 1.000 2 B 51.458 1 ATOM 1685 C CG1 . VAL 34 432 ? B 0.880 -35.837 15.707 1.000 2 B 51.458 1 ATOM 1686 C CG2 . VAL 34 432 ? B 1.247 -34.957 13.383 1.000 2 B 51.458 1 ATOM 1687 N N . VAL 35 433 ? B 4.223 -38.082 12.928 1.000 2 B 37.837 1 ATOM 1688 C CA . VAL 35 433 ? B 4.450 -39.382 12.304 1.000 2 B 37.837 1 ATOM 1689 C C . VAL 35 433 ? B 3.113 -40.006 11.909 1.000 2 B 37.837 1 ATOM 1690 O O . VAL 35 433 ? B 2.210 -40.132 12.739 1.000 2 B 37.837 1 ATOM 1691 C CB . VAL 35 433 ? B 5.225 -40.334 13.242 1.000 2 B 37.837 1 ATOM 1692 C CG1 . VAL 35 433 ? B 6.296 -41.101 12.468 1.000 2 B 37.837 1 ATOM 1693 C CG2 . VAL 35 433 ? B 5.852 -39.553 14.395 1.000 2 B 37.837 1 ATOM 1694 N N . ALA 36 434 ? B 2.700 -39.898 10.670 1.000 2 B 47.039 1 ATOM 1695 C CA . ALA 36 434 ? B 1.793 -40.864 10.057 1.000 2 B 47.039 1 ATOM 1696 C C . ALA 36 434 ? B 2.407 -41.470 8.798 1.000 2 B 47.039 1 ATOM 1697 O O . ALA 36 434 ? B 2.950 -40.751 7.956 1.000 2 B 47.039 1 ATOM 1698 C CB . ALA 36 434 ? B 0.456 -40.205 9.729 1.000 2 B 47.039 1 ATOM 1699 N N . ASP 37 435 ? B 3.067 -42.685 8.860 1.000 2 B 38.953 1 ATOM 1700 C CA . ASP 37 435 ? B 3.099 -44.077 8.423 1.000 2 B 38.953 1 ATOM 1701 C C . ASP 37 435 ? B 1.930 -44.387 7.489 1.000 2 B 38.953 1 ATOM 1702 O O . ASP 37 435 ? B 0.768 -44.227 7.867 1.000 2 B 38.953 1 ATOM 1703 C CB . ASP 37 435 ? B 3.072 -45.019 9.628 1.000 2 B 38.953 1 ATOM 1704 C CG . ASP 37 435 ? B 3.362 -46.463 9.259 1.000 2 B 38.953 1 ATOM 1705 O OD1 . ASP 37 435 ? B 4.514 -46.780 8.893 1.000 2 B 38.953 1 ATOM 1706 O OD2 . ASP 37 435 ? B 2.428 -47.291 9.332 1.000 2 B 38.953 1 ATOM 1707 N N . SER 38 436 ? B 2.150 -44.539 6.168 1.000 2 B 33.844 1 ATOM 1708 C CA . SER 38 436 ? B 2.014 -45.438 5.027 1.000 2 B 33.844 1 ATOM 1709 C C . SER 38 436 ? B 0.687 -46.188 5.069 1.000 2 B 33.844 1 ATOM 1710 O O . SER 38 436 ? B 0.229 -46.590 6.141 1.000 2 B 33.844 1 ATOM 1711 C CB . SER 38 436 ? B 3.172 -46.436 4.990 1.000 2 B 33.844 1 ATOM 1712 O OG . SER 38 436 ? B 4.336 -45.837 4.447 1.000 2 B 33.844 1 ATOM 1713 N N . PRO 39 437 ? B 0.177 -46.861 3.898 1.000 2 B 44.421 1 ATOM 1714 C CA . PRO 39 437 ? B 0.538 -47.386 2.579 1.000 2 B 44.421 1 ATOM 1715 C C . PRO 39 437 ? B -0.651 -47.445 1.623 1.000 2 B 44.421 1 ATOM 1716 O O . PRO 39 437 ? B -1.783 -47.160 2.021 1.000 2 B 44.421 1 ATOM 1717 C CB . PRO 39 437 ? B 1.058 -48.792 2.890 1.000 2 B 44.421 1 ATOM 1718 C CG . PRO 39 437 ? B 0.204 -49.275 4.017 1.000 2 B 44.421 1 ATOM 1719 C CD . PRO 39 437 ? B -0.673 -48.143 4.470 1.000 2 B 44.421 1 ATOM 1720 N N . ALA 40 438 ? B -0.372 -47.360 0.287 1.000 2 B 36.370 1 ATOM 1721 C CA . ALA 40 438 ? B -0.646 -48.419 -0.682 1.000 2 B 36.370 1 ATOM 1722 C C . ALA 40 438 ? B -1.779 -48.021 -1.623 1.000 2 B 36.370 1 ATOM 1723 O O . ALA 40 438 ? B -2.826 -47.544 -1.178 1.000 2 B 36.370 1 ATOM 1724 C CB . ALA 40 438 ? B -0.988 -49.721 0.037 1.000 2 B 36.370 1 ATOM 1725 N N . GLU 41 439 ? B -1.464 -47.784 -2.881 1.000 2 B 34.695 1 ATOM 1726 C CA . GLU 41 439 ? B -1.865 -48.564 -4.048 1.000 2 B 34.695 1 ATOM 1727 C C . GLU 41 439 ? B -2.941 -47.840 -4.853 1.000 2 B 34.695 1 ATOM 1728 O O . GLU 41 439 ? B -3.955 -47.412 -4.298 1.000 2 B 34.695 1 ATOM 1729 C CB . GLU 41 439 ? B -2.366 -49.947 -3.624 1.000 2 B 34.695 1 ATOM 1730 C CG . GLU 41 439 ? B -1.253 -50.954 -3.371 1.000 2 B 34.695 1 ATOM 1731 C CD . GLU 41 439 ? B -1.021 -51.898 -4.540 1.000 2 B 34.695 1 ATOM 1732 O OE1 . GLU 41 439 ? B -0.016 -51.727 -5.267 1.000 2 B 34.695 1 ATOM 1733 O OE2 . GLU 41 439 ? B -1.851 -52.814 -4.732 1.000 2 B 34.695 1 ATOM 1734 N N . VAL 42 440 ? B -2.574 -47.333 -6.021 1.000 2 B 42.272 1 ATOM 1735 C CA . VAL 42 440 ? B -3.360 -47.552 -7.231 1.000 2 B 42.272 1 ATOM 1736 C C . VAL 42 440 ? B -2.632 -46.957 -8.434 1.000 2 B 42.272 1 ATOM 1737 O O . VAL 42 440 ? B -2.220 -45.795 -8.406 1.000 2 B 42.272 1 ATOM 1738 C CB . VAL 42 440 ? B -4.774 -46.942 -7.108 1.000 2 B 42.272 1 ATOM 1739 C CG1 . VAL 42 440 ? B -5.763 -47.687 -8.001 1.000 2 B 42.272 1 ATOM 1740 C CG2 . VAL 42 440 ? B -5.239 -46.966 -5.653 1.000 2 B 42.272 1 ATOM 1741 N N . ALA 43 441 ? B -1.782 -47.726 -9.112 1.000 2 B 34.288 1 ATOM 1742 C CA . ALA 43 441 ? B -1.629 -48.292 -10.450 1.000 2 B 34.288 1 ATOM 1743 C C . ALA 43 441 ? B -2.834 -47.964 -11.326 1.000 2 B 34.288 1 ATOM 1744 O O . ALA 43 441 ? B -3.967 -48.324 -10.996 1.000 2 B 34.288 1 ATOM 1745 C CB . ALA 43 441 ? B -1.431 -49.804 -10.368 1.000 2 B 34.288 1 ATOM 1746 N N . LEU 44 442 ? B -2.799 -46.970 -12.209 1.000 2 B 43.512 1 ATOM 1747 C CA . LEU 44 442 ? B -3.402 -46.899 -13.536 1.000 2 B 43.512 1 ATOM 1748 C C . LEU 44 442 ? B -2.491 -46.157 -14.508 1.000 2 B 43.512 1 ATOM 1749 O O . LEU 44 442 ? B -2.046 -45.044 -14.221 1.000 2 B 43.512 1 ATOM 1750 C CB . LEU 44 442 ? B -4.766 -46.208 -13.469 1.000 2 B 43.512 1 ATOM 1751 C CG . LEU 44 442 ? B -5.978 -47.118 -13.257 1.000 2 B 43.512 1 ATOM 1752 C CD1 . LEU 44 442 ? B -6.691 -46.757 -11.958 1.000 2 B 43.512 1 ATOM 1753 C CD2 . LEU 44 442 ? B -6.932 -47.021 -14.442 1.000 2 B 43.512 1 ATOM 1754 N N . SER 45 443 ? B -1.708 -46.895 -15.272 1.000 2 B 34.341 1 ATOM 1755 C CA . SER 45 443 ? B -1.574 -47.296 -16.669 1.000 2 B 34.341 1 ATOM 1756 C C . SER 45 443 ? B -2.144 -46.235 -17.605 1.000 2 B 34.341 1 ATOM 1757 O O . SER 45 443 ? B -3.186 -45.642 -17.319 1.000 2 B 34.341 1 ATOM 1758 C CB . SER 45 443 ? B -2.276 -48.632 -16.912 1.000 2 B 34.341 1 ATOM 1759 O OG . SER 45 443 ? B -2.166 -49.473 -15.776 1.000 2 B 34.341 1 ATOM 1760 N N . SER 46 444 ? B -1.259 -45.655 -18.467 1.000 2 B 32.951 1 ATOM 1761 C CA . SER 46 444 ? B -1.224 -45.793 -19.919 1.000 2 B 32.951 1 ATOM 1762 C C . SER 46 444 ? B -1.423 -44.447 -20.607 1.000 2 B 32.951 1 ATOM 1763 O O . SER 46 444 ? B -2.266 -43.650 -20.192 1.000 2 B 32.951 1 ATOM 1764 C CB . SER 46 444 ? B -2.294 -46.779 -20.390 1.000 2 B 32.951 1 ATOM 1765 O OG . SER 46 444 ? B -3.584 -46.348 -19.993 1.000 2 B 32.951 1 ATOM 1766 N N . SER 47 445 ? B -0.375 -43.973 -21.336 1.000 2 B 39.559 1 ATOM 1767 C CA . SER 47 445 ? B -0.438 -43.722 -22.772 1.000 2 B 39.559 1 ATOM 1768 C C . SER 47 445 ? B 0.564 -42.651 -23.190 1.000 2 B 39.559 1 ATOM 1769 O O . SER 47 445 ? B 0.637 -41.587 -22.572 1.000 2 B 39.559 1 ATOM 1770 C CB . SER 47 445 ? B -1.849 -43.299 -23.182 1.000 2 B 39.559 1 ATOM 1771 O OG . SER 47 445 ? B -1.830 -42.622 -24.427 1.000 2 B 39.559 1 ATOM 1772 N N . GLY 48 446 ? B 1.662 -43.055 -23.803 1.000 2 B 31.329 1 ATOM 1773 C CA . GLY 48 446 ? B 1.898 -42.968 -25.236 1.000 2 B 31.329 1 ATOM 1774 C C . GLY 48 446 ? B 2.572 -41.674 -25.652 1.000 2 B 31.329 1 ATOM 1775 O O . GLY 48 446 ? B 2.163 -40.591 -25.230 1.000 2 B 31.329 1 ATOM 1776 N N . GLY 49 447 ? B 3.842 -41.782 -26.036 1.000 2 B 34.770 1 ATOM 1777 C CA . GLY 49 447 ? B 4.269 -41.533 -27.403 1.000 2 B 34.770 1 ATOM 1778 C C . GLY 49 447 ? B 5.379 -40.504 -27.503 1.000 2 B 34.770 1 ATOM 1779 O O . GLY 49 447 ? B 5.372 -39.504 -26.782 1.000 2 B 34.770 1 ATOM 1780 N N . ASN 50 448 ? B 6.550 -40.927 -27.853 1.000 2 B 34.029 1 ATOM 1781 C CA . ASN 50 448 ? B 7.272 -40.770 -29.111 1.000 2 B 34.029 1 ATOM 1782 C C . ASN 50 448 ? B 8.185 -39.547 -29.085 1.000 2 B 34.029 1 ATOM 1783 O O . ASN 50 448 ? B 7.753 -38.453 -28.719 1.000 2 B 34.029 1 ATOM 1784 C CB . ASN 50 448 ? B 6.293 -40.677 -30.283 1.000 2 B 34.029 1 ATOM 1785 C CG . ASN 50 448 ? B 6.089 -42.008 -30.981 1.000 2 B 34.029 1 ATOM 1786 O OD1 . ASN 50 448 ? B 6.233 -43.071 -30.371 1.000 2 B 34.029 1 ATOM 1787 N ND2 . ASN 50 448 ? B 5.752 -41.959 -32.264 1.000 2 B 34.029 1 ATOM 1788 N N . ASN 51 449 ? B 9.507 -39.701 -29.121 1.000 2 B 42.385 1 ATOM 1789 C CA . ASN 51 449 ? B 10.400 -39.148 -30.133 1.000 2 B 42.385 1 ATOM 1790 C C . ASN 51 449 ? B 11.861 -39.236 -29.700 1.000 2 B 42.385 1 ATOM 1791 O O . ASN 51 449 ? B 12.212 -38.817 -28.596 1.000 2 B 42.385 1 ATOM 1792 C CB . ASN 51 449 ? B 10.026 -37.697 -30.444 1.000 2 B 42.385 1 ATOM 1793 C CG . ASN 51 449 ? B 9.540 -37.512 -31.869 1.000 2 B 42.385 1 ATOM 1794 O OD1 . ASN 51 449 ? B 9.512 -38.461 -32.656 1.000 2 B 42.385 1 ATOM 1795 N ND2 . ASN 51 449 ? B 9.154 -36.288 -32.209 1.000 2 B 42.385 1 ATOM 1796 N N . ALA 52 450 ? B 12.620 -40.251 -30.213 1.000 2 B 36.257 1 ATOM 1797 C CA . ALA 52 450 ? B 13.598 -40.446 -31.281 1.000 2 B 36.257 1 ATOM 1798 C C . ALA 52 450 ? B 14.637 -39.328 -31.283 1.000 2 B 36.257 1 ATOM 1799 O O . ALA 52 450 ? B 14.289 -38.148 -31.209 1.000 2 B 36.257 1 ATOM 1800 C CB . ALA 52 450 ? B 12.899 -40.520 -32.636 1.000 2 B 36.257 1 ATOM 1801 N N . SER 53 451 ? B 15.871 -39.644 -30.948 1.000 2 B 31.969 1 ATOM 1802 C CA . SER 53 451 ? B 17.106 -39.871 -31.693 1.000 2 B 31.969 1 ATOM 1803 C C . SER 53 451 ? B 17.692 -38.560 -32.205 1.000 2 B 31.969 1 ATOM 1804 O O . SER 53 451 ? B 16.954 -37.669 -32.631 1.000 2 B 31.969 1 ATOM 1805 C CB . SER 53 451 ? B 16.857 -40.820 -32.866 1.000 2 B 31.969 1 ATOM 1806 O OG . SER 53 451 ? B 15.568 -41.403 -32.778 1.000 2 B 31.969 1 ATOM 1807 N N . SER 54 452 ? B 18.915 -38.220 -31.741 1.000 2 B 40.219 1 ATOM 1808 C CA . SER 54 452 ? B 20.081 -37.904 -32.560 1.000 2 B 40.219 1 ATOM 1809 C C . SER 54 452 ? B 21.112 -37.106 -31.769 1.000 2 B 40.219 1 ATOM 1810 O O . SER 54 452 ? B 20.761 -36.167 -31.051 1.000 2 B 40.219 1 ATOM 1811 C CB . SER 54 452 ? B 19.664 -37.121 -33.806 1.000 2 B 40.219 1 ATOM 1812 O OG . SER 54 452 ? B 18.446 -37.621 -34.330 1.000 2 B 40.219 1 ATOM 1813 N N . GLN 55 453 ? B 22.250 -37.702 -31.392 1.000 2 B 32.424 1 ATOM 1814 C CA . GLN 55 453 ? B 23.506 -37.702 -32.134 1.000 2 B 32.424 1 ATOM 1815 C C . GLN 55 453 ? B 24.171 -36.329 -32.089 1.000 2 B 32.424 1 ATOM 1816 O O . GLN 55 453 ? B 23.555 -35.323 -32.444 1.000 2 B 32.424 1 ATOM 1817 C CB . GLN 55 453 ? B 23.273 -38.124 -33.586 1.000 2 B 32.424 1 ATOM 1818 C CG . GLN 55 453 ? B 24.267 -39.160 -34.092 1.000 2 B 32.424 1 ATOM 1819 C CD . GLN 55 453 ? B 24.250 -39.301 -35.603 1.000 2 B 32.424 1 ATOM 1820 O OE1 . GLN 55 453 ? B 23.953 -38.344 -36.325 1.000 2 B 32.424 1 ATOM 1821 N NE2 . GLN 55 453 ? B 24.568 -40.495 -36.091 1.000 2 B 32.424 1 ATOM 1822 N N . ALA 56 454 ? B 25.300 -36.204 -31.356 1.000 2 B 32.184 1 ATOM 1823 C CA . ALA 56 454 ? B 26.672 -36.062 -31.836 1.000 2 B 32.184 1 ATOM 1824 C C . ALA 56 454 ? B 27.057 -34.591 -31.971 1.000 2 B 32.184 1 ATOM 1825 O O . ALA 56 454 ? B 26.282 -33.786 -32.494 1.000 2 B 32.184 1 ATOM 1826 C CB . ALA 56 454 ? B 26.845 -36.779 -33.172 1.000 2 B 32.184 1 ATOM 1827 N N . LEU 57 455 ? B 28.080 -34.075 -31.216 1.000 2 B 37.208 1 ATOM 1828 C CA . LEU 57 455 ? B 29.361 -33.497 -31.610 1.000 2 B 37.208 1 ATOM 1829 C C . LEU 57 455 ? B 29.638 -32.212 -30.837 1.000 2 B 37.208 1 ATOM 1830 O O . LEU 57 455 ? B 28.815 -31.293 -30.836 1.000 2 B 37.208 1 ATOM 1831 C CB . LEU 57 455 ? B 29.383 -33.216 -33.114 1.000 2 B 37.208 1 ATOM 1832 C CG . LEU 57 455 ? B 29.728 -34.399 -34.020 1.000 2 B 37.208 1 ATOM 1833 C CD1 . LEU 57 455 ? B 28.615 -34.632 -35.036 1.000 2 B 37.208 1 ATOM 1834 C CD2 . LEU 57 455 ? B 31.060 -34.162 -34.724 1.000 2 B 37.208 1 ATOM 1835 N N . GLY 58 456 ? B 30.584 -32.214 -29.861 1.000 2 B 34.208 1 ATOM 1836 C CA . GLY 58 456 ? B 31.897 -31.589 -29.874 1.000 2 B 34.208 1 ATOM 1837 C C . GLY 58 456 ? B 32.198 -30.807 -28.610 1.000 2 B 34.208 1 ATOM 1838 O O . GLY 58 456 ? B 31.317 -30.143 -28.059 1.000 2 B 34.208 1 ATOM 1839 N N . PRO 59 457 ? B 33.370 -31.023 -27.911 1.000 2 B 36.733 1 ATOM 1840 C CA . PRO 59 457 ? B 34.082 -30.276 -26.872 1.000 2 B 36.733 1 ATOM 1841 C C . PRO 59 457 ? B 34.894 -29.111 -27.434 1.000 2 B 36.733 1 ATOM 1842 O O . PRO 59 457 ? B 35.045 -28.991 -28.653 1.000 2 B 36.733 1 ATOM 1843 C CB . PRO 59 457 ? B 34.999 -31.329 -26.246 1.000 2 B 36.733 1 ATOM 1844 C CG . PRO 59 457 ? B 35.267 -32.305 -27.346 1.000 2 B 36.733 1 ATOM 1845 C CD . PRO 59 457 ? B 34.446 -31.913 -28.541 1.000 2 B 36.733 1 ATOM 1846 N N . PRO 60 458 ? B 35.739 -28.320 -26.537 1.000 2 B 47.932 1 ATOM 1847 C CA . PRO 60 458 ? B 35.858 -27.541 -25.302 1.000 2 B 47.932 1 ATOM 1848 C C . PRO 60 458 ? B 36.721 -26.293 -25.473 1.000 2 B 47.932 1 ATOM 1849 O O . PRO 60 458 ? B 37.420 -26.154 -26.480 1.000 2 B 47.932 1 ATOM 1850 C CB . PRO 60 458 ? B 36.508 -28.524 -24.326 1.000 2 B 47.932 1 ATOM 1851 C CG . PRO 60 458 ? B 37.454 -29.324 -25.162 1.000 2 B 47.932 1 ATOM 1852 C CD . PRO 60 458 ? B 37.244 -28.957 -26.603 1.000 2 B 47.932 1 ATOM 1853 N N . SER 61 459 ? B 36.372 -25.164 -24.814 1.000 2 B 44.726 1 ATOM 1854 C CA . SER 61 459 ? B 37.235 -24.017 -24.550 1.000 2 B 44.726 1 ATOM 1855 C C . SER 61 459 ? B 37.226 -23.647 -23.070 1.000 2 B 44.726 1 ATOM 1856 O O . SER 61 459 ? B 36.171 -23.639 -22.433 1.000 2 B 44.726 1 ATOM 1857 C CB . SER 61 459 ? B 36.798 -22.814 -25.387 1.000 2 B 44.726 1 ATOM 1858 O OG . SER 61 459 ? B 35.526 -23.041 -25.968 1.000 2 B 44.726 1 ATOM 1859 N N . GLY 62 460 ? B 38.244 -24.169 -22.277 1.000 2 B 42.210 1 ATOM 1860 C CA . GLY 62 460 ? B 39.246 -23.313 -21.663 1.000 2 B 42.210 1 ATOM 1861 C C . GLY 62 460 ? B 39.541 -23.680 -20.221 1.000 2 B 42.210 1 ATOM 1862 O O . GLY 62 460 ? B 38.627 -23.988 -19.454 1.000 2 B 42.210 1 ATOM 1863 N N . PRO 63 461 ? B 40.756 -24.021 -19.931 1.000 2 B 35.250 1 ATOM 1864 C CA . PRO 63 461 ? B 41.552 -24.097 -18.704 1.000 2 B 35.250 1 ATOM 1865 C C . PRO 63 461 ? B 42.261 -22.785 -18.377 1.000 2 B 35.250 1 ATOM 1866 O O . PRO 63 461 ? B 42.655 -22.049 -19.286 1.000 2 B 35.250 1 ATOM 1867 C CB . PRO 63 461 ? B 42.565 -25.204 -19.009 1.000 2 B 35.250 1 ATOM 1868 C CG . PRO 63 461 ? B 42.849 -25.069 -20.470 1.000 2 B 35.250 1 ATOM 1869 C CD . PRO 63 461 ? B 41.910 -24.049 -21.047 1.000 2 B 35.250 1 ATOM 1870 N N . HIS 64 462 ? B 41.984 -22.148 -17.298 1.000 2 B 48.913 1 ATOM 1871 C CA . HIS 64 462 ? B 42.880 -21.217 -16.623 1.000 2 B 48.913 1 ATOM 1872 C C . HIS 64 462 ? B 43.505 -21.853 -15.386 1.000 2 B 48.913 1 ATOM 1873 O O . HIS 64 462 ? B 42.804 -22.464 -14.576 1.000 2 B 48.913 1 ATOM 1874 C CB . HIS 64 462 ? B 42.134 -19.939 -16.236 1.000 2 B 48.913 1 ATOM 1875 C CG . HIS 64 462 ? B 43.037 -18.791 -15.914 1.000 2 B 48.913 1 ATOM 1876 N ND1 . HIS 64 462 ? B 43.877 -18.788 -14.823 1.000 2 B 48.913 1 ATOM 1877 C CD2 . HIS 64 462 ? B 43.231 -17.609 -16.545 1.000 2 B 48.913 1 ATOM 1878 C CE1 . HIS 64 462 ? B 44.551 -17.650 -14.795 1.000 2 B 48.913 1 ATOM 1879 N NE2 . HIS 64 462 ? B 44.177 -16.917 -15.830 1.000 2 B 48.913 1 ATOM 1880 N N . ASN 65 463 ? B 44.609 -22.548 -15.454 1.000 2 B 35.683 1 ATOM 1881 C CA . ASN 65 463 ? B 45.960 -22.626 -14.908 1.000 2 B 35.683 1 ATOM 1882 C C . ASN 65 463 ? B 46.223 -21.509 -13.902 1.000 2 B 35.683 1 ATOM 1883 O O . ASN 65 463 ? B 45.901 -20.348 -14.158 1.000 2 B 35.683 1 ATOM 1884 C CB . ASN 65 463 ? B 46.997 -22.584 -16.032 1.000 2 B 35.683 1 ATOM 1885 C CG . ASN 65 463 ? B 48.266 -23.338 -15.685 1.000 2 B 35.683 1 ATOM 1886 O OD1 . ASN 65 463 ? B 48.339 -24.013 -14.654 1.000 2 B 35.683 1 ATOM 1887 N ND2 . ASN 65 463 ? B 49.273 -23.231 -16.543 1.000 2 B 35.683 1 ATOM 1888 N N . PRO 66 464 ? B 47.194 -21.660 -13.062 1.000 2 B 48.160 1 ATOM 1889 C CA . PRO 66 464 ? B 47.679 -22.322 -11.849 1.000 2 B 48.160 1 ATOM 1890 C C . PRO 66 464 ? B 48.136 -21.332 -10.780 1.000 2 B 48.160 1 ATOM 1891 O O . PRO 66 464 ? B 48.027 -20.118 -10.970 1.000 2 B 48.160 1 ATOM 1892 C CB . PRO 66 464 ? B 48.855 -23.163 -12.352 1.000 2 B 48.160 1 ATOM 1893 C CG . PRO 66 464 ? B 49.479 -22.340 -13.433 1.000 2 B 48.160 1 ATOM 1894 C CD . PRO 66 464 ? B 48.623 -21.128 -13.663 1.000 2 B 48.160 1 ATOM 1895 N N . PRO 67 465 ? B 49.008 -21.667 -9.674 1.000 2 B 47.967 1 ATOM 1896 C CA . PRO 67 465 ? B 49.381 -21.644 -8.258 1.000 2 B 47.967 1 ATOM 1897 C C . PRO 67 465 ? B 50.560 -20.717 -7.973 1.000 2 B 47.967 1 ATOM 1898 O O . PRO 67 465 ? B 51.136 -20.142 -8.900 1.000 2 B 47.967 1 ATOM 1899 C CB . PRO 67 465 ? B 49.749 -23.101 -7.967 1.000 2 B 47.967 1 ATOM 1900 C CG . PRO 67 465 ? B 50.390 -23.592 -9.225 1.000 2 B 47.967 1 ATOM 1901 C CD . PRO 67 465 ? B 50.258 -22.526 -10.274 1.000 2 B 47.967 1 ATOM 1902 N N . PRO 68 466 ? B 51.251 -20.651 -6.740 1.000 2 B 45.026 1 ATOM 1903 C CA . PRO 68 466 ? B 51.447 -20.643 -5.289 1.000 2 B 45.026 1 ATOM 1904 C C . PRO 68 466 ? B 52.473 -19.606 -4.837 1.000 2 B 45.026 1 ATOM 1905 O O . PRO 68 466 ? B 53.279 -19.138 -5.645 1.000 2 B 45.026 1 ATOM 1906 C CB . PRO 68 466 ? B 51.937 -22.062 -4.992 1.000 2 B 45.026 1 ATOM 1907 C CG . PRO 68 466 ? B 52.777 -22.431 -6.172 1.000 2 B 45.026 1 ATOM 1908 C CD . PRO 68 466 ? B 52.658 -21.343 -7.201 1.000 2 B 45.026 1 ATOM 1909 N N . SER 69 467 ? B 52.236 -18.968 -3.689 1.000 2 B 49.913 1 ATOM 1910 C CA . SER 69 467 ? B 53.198 -18.161 -2.946 1.000 2 B 49.913 1 ATOM 1911 C C . SER 69 467 ? B 53.416 -18.714 -1.542 1.000 2 B 49.913 1 ATOM 1912 O O . SER 69 467 ? B 52.455 -19.030 -0.837 1.000 2 B 49.913 1 ATOM 1913 C CB . SER 69 467 ? B 52.729 -16.708 -2.863 1.000 2 B 49.913 1 ATOM 1914 O OG . SER 69 467 ? B 52.190 -16.282 -4.103 1.000 2 B 49.913 1 ATOM 1915 N N . THR 70 468 ? B 54.511 -19.586 -1.296 1.000 2 B 39.756 1 ATOM 1916 C CA . THR 70 468 ? B 55.632 -19.901 -0.416 1.000 2 B 39.756 1 ATOM 1917 C C . THR 70 468 ? B 56.586 -18.715 -0.311 1.000 2 B 39.756 1 ATOM 1918 O O . THR 70 468 ? B 57.048 -18.191 -1.327 1.000 2 B 39.756 1 ATOM 1919 C CB . THR 70 468 ? B 56.400 -21.139 -0.912 1.000 2 B 39.756 1 ATOM 1920 O OG1 . THR 70 468 ? B 56.778 -20.944 -2.281 1.000 2 B 39.756 1 ATOM 1921 C CG2 . THR 70 468 ? B 55.544 -22.397 -0.807 1.000 2 B 39.756 1 ATOM 1922 N N . SER 71 469 ? B 56.580 -17.933 0.781 1.000 2 B 51.058 1 ATOM 1923 C CA . SER 71 469 ? B 57.656 -17.109 1.323 1.000 2 B 51.058 1 ATOM 1924 C C . SER 71 469 ? B 57.657 -17.135 2.848 1.000 2 B 51.058 1 ATOM 1925 O O . SER 71 469 ? B 56.597 -17.109 3.476 1.000 2 B 51.058 1 ATOM 1926 C CB . SER 71 469 ? B 57.527 -15.667 0.830 1.000 2 B 51.058 1 ATOM 1927 O OG . SER 71 469 ? B 57.323 -15.631 -0.572 1.000 2 B 51.058 1 ATOM 1928 N N . LYS 72 470 ? B 58.532 -17.898 3.546 1.000 2 B 41.786 1 ATOM 1929 C CA . LYS 72 470 ? B 59.816 -17.608 4.177 1.000 2 B 41.786 1 ATOM 1930 C C . LYS 72 470 ? B 59.625 -16.864 5.496 1.000 2 B 41.786 1 ATOM 1931 O O . LYS 72 470 ? B 58.908 -15.863 5.552 1.000 2 B 41.786 1 ATOM 1932 C CB . LYS 72 470 ? B 60.703 -16.789 3.237 1.000 2 B 41.786 1 ATOM 1933 C CG . LYS 72 470 ? B 62.046 -17.436 2.934 1.000 2 B 41.786 1 ATOM 1934 C CD . LYS 72 470 ? B 62.895 -16.560 2.020 1.000 2 B 41.786 1 ATOM 1935 C CE . LYS 72 470 ? B 64.240 -17.205 1.718 1.000 2 B 41.786 1 ATOM 1936 N NZ . LYS 72 470 ? B 65.067 -16.360 0.805 1.000 2 B 41.786 1 ATOM 1937 N N . GLU 73 471 ? B 59.685 -17.423 6.630 1.000 2 B 30.824 1 ATOM 1938 C CA . GLU 73 471 ? B 60.514 -17.314 7.826 1.000 2 B 30.824 1 ATOM 1939 C C . GLU 73 471 ? B 61.478 -16.135 7.724 1.000 2 B 30.824 1 ATOM 1940 O O . GLU 73 471 ? B 62.048 -15.883 6.660 1.000 2 B 30.824 1 ATOM 1941 C CB . GLU 73 471 ? B 61.292 -18.611 8.062 1.000 2 B 30.824 1 ATOM 1942 C CG . GLU 73 471 ? B 61.147 -19.168 9.471 1.000 2 B 30.824 1 ATOM 1943 C CD . GLU 73 471 ? B 62.241 -20.156 9.841 1.000 2 B 30.824 1 ATOM 1944 O OE1 . GLU 73 471 ? B 63.150 -19.792 10.621 1.000 2 B 30.824 1 ATOM 1945 O OE2 . GLU 73 471 ? B 62.190 -21.305 9.346 1.000 2 B 30.824 1 ATOM 1946 N N . PRO 74 472 ? B 61.877 -15.436 8.899 1.000 2 B 40.247 1 ATOM 1947 C CA . PRO 74 472 ? B 62.653 -15.753 10.099 1.000 2 B 40.247 1 ATOM 1948 C C . PRO 74 472 ? B 62.334 -14.826 11.270 1.000 2 B 40.247 1 ATOM 1949 O O . PRO 74 472 ? B 61.667 -13.804 11.090 1.000 2 B 40.247 1 ATOM 1950 C CB . PRO 74 472 ? B 64.103 -15.573 9.640 1.000 2 B 40.247 1 ATOM 1951 C CG . PRO 74 472 ? B 64.058 -14.434 8.673 1.000 2 B 40.247 1 ATOM 1952 C CD . PRO 74 472 ? B 62.623 -14.051 8.452 1.000 2 B 40.247 1 ATOM 1953 N N . SER 75 473 ? B 62.260 -15.302 12.522 1.000 2 B 34.734 1 ATOM 1954 C CA . SER 75 473 ? B 63.223 -15.141 13.606 1.000 2 B 34.734 1 ATOM 1955 C C . SER 75 473 ? B 62.859 -13.958 14.498 1.000 2 B 34.734 1 ATOM 1956 O O . SER 75 473 ? B 62.522 -12.881 14.002 1.000 2 B 34.734 1 ATOM 1957 C CB . SER 75 473 ? B 64.634 -14.952 13.047 1.000 2 B 34.734 1 ATOM 1958 O OG . SER 75 473 ? B 65.487 -16.002 13.469 1.000 2 B 34.734 1 ATOM 1959 N N . ALA 76 474 ? B 62.488 -14.201 15.757 1.000 2 B 35.382 1 ATOM 1960 C CA . ALA 76 474 ? B 63.201 -13.859 16.985 1.000 2 B 35.382 1 ATOM 1961 C C . ALA 76 474 ? B 62.556 -12.662 17.679 1.000 2 B 35.382 1 ATOM 1962 O O . ALA 76 474 ? B 62.296 -11.636 17.046 1.000 2 B 35.382 1 ATOM 1963 C CB . ALA 76 474 ? B 64.669 -13.568 16.685 1.000 2 B 35.382 1 ATOM 1964 N N . ALA 77 475 ? B 61.776 -12.881 18.782 1.000 2 B 43.327 1 ATOM 1965 C CA . ALA 77 475 ? B 62.037 -12.113 19.997 1.000 2 B 43.327 1 ATOM 1966 C C . ALA 77 475 ? B 61.012 -12.435 21.080 1.000 2 B 43.327 1 ATOM 1967 O O . ALA 77 475 ? B 59.805 -12.417 20.826 1.000 2 B 43.327 1 ATOM 1968 C CB . ALA 77 475 ? B 62.033 -10.617 19.691 1.000 2 B 43.327 1 ATOM 1969 N N . ALA 78 476 ? B 61.200 -13.384 21.918 1.000 2 B 31.215 1 ATOM 1970 C CA . ALA 78 476 ? B 61.133 -13.397 23.377 1.000 2 B 31.215 1 ATOM 1971 C C . ALA 78 476 ? B 61.903 -12.222 23.972 1.000 2 B 31.215 1 ATOM 1972 O O . ALA 78 476 ? B 62.997 -11.891 23.510 1.000 2 B 31.215 1 ATOM 1973 C CB . ALA 78 476 ? B 61.675 -14.716 23.923 1.000 2 B 31.215 1 ATOM 1974 N N . PRO 79 477 ? B 61.300 -11.572 25.053 1.000 2 B 40.347 1 ATOM 1975 C CA . PRO 79 477 ? B 61.344 -11.846 26.491 1.000 2 B 40.347 1 ATOM 1976 C C . PRO 79 477 ? B 60.110 -11.331 27.228 1.000 2 B 40.347 1 ATOM 1977 O O . PRO 79 477 ? B 59.273 -10.646 26.634 1.000 2 B 40.347 1 ATOM 1978 C CB . PRO 79 477 ? B 62.603 -11.109 26.953 1.000 2 B 40.347 1 ATOM 1979 C CG . PRO 79 477 ? B 62.657 -9.877 26.107 1.000 2 B 40.347 1 ATOM 1980 C CD . PRO 79 477 ? B 61.574 -9.964 25.070 1.000 2 B 40.347 1 ATOM 1981 N N . THR 80 478 ? B 59.581 -12.030 28.234 1.000 2 B 33.929 1 ATOM 1982 C CA . THR 80 478 ? B 59.631 -12.060 29.692 1.000 2 B 33.929 1 ATOM 1983 C C . THR 80 478 ? B 59.120 -10.747 30.277 1.000 2 B 33.929 1 ATOM 1984 O O . THR 80 478 ? B 59.528 -9.667 29.845 1.000 2 B 33.929 1 ATOM 1985 C CB . THR 80 478 ? B 61.061 -12.328 30.196 1.000 2 B 33.929 1 ATOM 1986 O OG1 . THR 80 478 ? B 61.958 -11.385 29.596 1.000 2 B 33.929 1 ATOM 1987 C CG2 . THR 80 478 ? B 61.514 -13.740 29.841 1.000 2 B 33.929 1 ATOM 1988 N N . GLY 81 479 ? B 57.908 -10.737 30.873 1.000 2 B 38.602 1 ATOM 1989 C CA . GLY 81 479 ? B 57.749 -10.034 32.136 1.000 2 B 38.602 1 ATOM 1990 C C . GLY 81 479 ? B 56.372 -10.210 32.748 1.000 2 B 38.602 1 ATOM 1991 O O . GLY 81 479 ? B 55.366 -10.213 32.036 1.000 2 B 38.602 1 ATOM 1992 N N . ALA 82 480 ? B 56.198 -11.057 33.777 1.000 2 B 35.978 1 ATOM 1993 C CA . ALA 82 480 ? B 56.132 -10.865 35.224 1.000 2 B 35.978 1 ATOM 1994 C C . ALA 82 480 ? B 54.908 -10.042 35.612 1.000 2 B 35.978 1 ATOM 1995 O O . ALA 82 480 ? B 54.652 -8.985 35.030 1.000 2 B 35.978 1 ATOM 1996 C CB . ALA 82 480 ? B 57.405 -10.191 35.730 1.000 2 B 35.978 1 ATOM 1997 N N . GLY 83 481 ? B 53.906 -10.653 36.191 1.000 2 B 30.934 1 ATOM 1998 C CA . GLY 83 481 ? B 53.504 -10.435 37.571 1.000 2 B 30.934 1 ATOM 1999 C C . GLY 83 481 ? B 52.423 -9.380 37.718 1.000 2 B 30.934 1 ATOM 2000 O O . GLY 83 481 ? B 52.529 -8.292 37.148 1.000 2 B 30.934 1 ATOM 2001 N N . GLY 84 482 ? B 51.164 -9.768 38.038 1.000 2 B 36.749 1 ATOM 2002 C CA . GLY 84 482 ? B 50.462 -9.224 39.189 1.000 2 B 36.749 1 ATOM 2003 C C . GLY 84 482 ? B 49.005 -9.641 39.252 1.000 2 B 36.749 1 ATOM 2004 O O . GLY 84 482 ? B 48.330 -9.715 38.223 1.000 2 B 36.749 1 ATOM 2005 N N . VAL 85 483 ? B 48.617 -10.601 40.046 1.000 2 B 35.728 1 ATOM 2006 C CA . VAL 85 483 ? B 47.845 -10.824 41.264 1.000 2 B 35.728 1 ATOM 2007 C C . VAL 85 483 ? B 46.883 -9.659 41.487 1.000 2 B 35.728 1 ATOM 2008 O O . VAL 85 483 ? B 47.280 -8.494 41.405 1.000 2 B 35.728 1 ATOM 2009 C CB . VAL 85 483 ? B 48.763 -11.001 42.494 1.000 2 B 35.728 1 ATOM 2010 C CG1 . VAL 85 483 ? B 48.378 -12.253 43.280 1.000 2 B 35.728 1 ATOM 2011 C CG2 . VAL 85 483 ? B 50.227 -11.066 42.061 1.000 2 B 35.728 1 ATOM 2012 N N . ALA 86 484 ? B 45.540 -9.920 41.480 1.000 2 B 37.994 1 ATOM 2013 C CA . ALA 86 484 ? B 44.500 -9.988 42.504 1.000 2 B 37.994 1 ATOM 2014 C C . ALA 86 484 ? B 43.392 -8.976 42.228 1.000 2 B 37.994 1 ATOM 2015 O O . ALA 86 484 ? B 43.666 -7.823 41.888 1.000 2 B 37.994 1 ATOM 2016 C CB . ALA 86 484 ? B 45.100 -9.752 43.888 1.000 2 B 37.994 1 ATOM 2017 N N . PRO 87 485 ? B 42.209 -9.187 42.706 1.000 2 B 44.237 1 ATOM 2018 C CA . PRO 87 485 ? B 40.837 -8.705 42.527 1.000 2 B 44.237 1 ATOM 2019 C C . PRO 87 485 ? B 40.371 -7.812 43.675 1.000 2 B 44.237 1 ATOM 2020 O O . PRO 87 485 ? B 40.922 -7.878 44.777 1.000 2 B 44.237 1 ATOM 2021 C CB . PRO 87 485 ? B 40.015 -9.995 42.470 1.000 2 B 44.237 1 ATOM 2022 C CG . PRO 87 485 ? B 40.708 -10.932 43.406 1.000 2 B 44.237 1 ATOM 2023 C CD . PRO 87 485 ? B 42.003 -10.305 43.836 1.000 2 B 44.237 1 ATOM 2024 N N . GLY 88 486 ? B 39.756 -6.614 43.384 1.000 2 B 40.480 1 ATOM 2025 C CA . GLY 88 486 ? B 39.047 -5.739 44.303 1.000 2 B 40.480 1 ATOM 2026 C C . GLY 88 486 ? B 37.733 -5.225 43.744 1.000 2 B 40.480 1 ATOM 2027 O O . GLY 88 486 ? B 37.653 -4.862 42.568 1.000 2 B 40.480 1 ATOM 2028 N N . SER 89 487 ? B 36.546 -5.713 44.156 1.000 2 B 34.044 1 ATOM 2029 C CA . SER 89 487 ? B 35.459 -5.309 45.041 1.000 2 B 34.044 1 ATOM 2030 C C . SER 89 487 ? B 35.414 -3.794 45.206 1.000 2 B 34.044 1 ATOM 2031 O O . SER 89 487 ? B 36.413 -3.174 45.578 1.000 2 B 34.044 1 ATOM 2032 C CB . SER 89 487 ? B 35.607 -5.975 46.410 1.000 2 B 34.044 1 ATOM 2033 O OG . SER 89 487 ? B 34.644 -7.002 46.576 1.000 2 B 34.044 1 ATOM 2034 N N . GLY 90 488 ? B 34.352 -3.103 44.682 1.000 2 B 40.674 1 ATOM 2035 C CA . GLY 90 488 ? B 33.721 -1.952 45.307 1.000 2 B 40.674 1 ATOM 2036 C C . GLY 90 488 ? B 32.414 -1.556 44.645 1.000 2 B 40.674 1 ATOM 2037 O O . GLY 90 488 ? B 32.302 -1.579 43.417 1.000 2 B 40.674 1 ATOM 2038 N N . ASN 91 489 ? B 31.267 -1.913 45.179 1.000 2 B 35.895 1 ATOM 2039 C CA . ASN 91 489 ? B 30.190 -1.294 45.945 1.000 2 B 35.895 1 ATOM 2040 C C . ASN 91 489 ? B 30.302 0.228 45.941 1.000 2 B 35.895 1 ATOM 2041 O O . ASN 91 489 ? B 31.349 0.778 46.284 1.000 2 B 35.895 1 ATOM 2042 C CB . ASN 91 489 ? B 30.180 -1.822 47.381 1.000 2 B 35.895 1 ATOM 2043 C CG . ASN 91 489 ? B 28.779 -2.095 47.893 1.000 2 B 35.895 1 ATOM 2044 O OD1 . ASN 91 489 ? B 27.884 -2.458 47.126 1.000 2 B 35.895 1 ATOM 2045 N ND2 . ASN 91 489 ? B 28.580 -1.924 49.195 1.000 2 B 35.895 1 ATOM 2046 N N . ASN 92 490 ? B 29.343 0.985 45.267 1.000 2 B 44.363 1 ATOM 2047 C CA . ASN 92 490 ? B 28.840 2.285 45.695 1.000 2 B 44.363 1 ATOM 2048 C C . ASN 92 490 ? B 27.498 2.609 45.045 1.000 2 B 44.363 1 ATOM 2049 O O . ASN 92 490 ? B 27.354 2.509 43.825 1.000 2 B 44.363 1 ATOM 2050 C CB . ASN 92 490 ? B 29.859 3.384 45.384 1.000 2 B 44.363 1 ATOM 2051 C CG . ASN 92 490 ? B 29.950 4.424 46.483 1.000 2 B 44.363 1 ATOM 2052 O OD1 . ASN 92 490 ? B 29.583 4.165 47.632 1.000 2 B 44.363 1 ATOM 2053 N ND2 . ASN 92 490 ? B 30.441 5.609 46.139 1.000 2 B 44.363 1 ATOM 2054 N N . SER 93 491 ? B 26.338 2.449 45.705 1.000 2 B 35.570 1 ATOM 2055 C CA . SER 93 491 ? B 25.294 3.239 46.348 1.000 2 B 35.570 1 ATOM 2056 C C . SER 93 491 ? B 25.510 4.732 46.119 1.000 2 B 35.570 1 ATOM 2057 O O . SER 93 491 ? B 26.614 5.242 46.319 1.000 2 B 35.570 1 ATOM 2058 C CB . SER 93 491 ? B 25.247 2.947 47.848 1.000 2 B 35.570 1 ATOM 2059 O OG . SER 93 491 ? B 25.945 1.751 48.150 1.000 2 B 35.570 1 ATOM 2060 N N . GLY 94 492 ? B 24.597 5.423 45.349 1.000 2 B 39.627 1 ATOM 2061 C CA . GLY 94 492 ? B 24.101 6.735 45.735 1.000 2 B 39.627 1 ATOM 2062 C C . GLY 94 492 ? B 23.311 7.421 44.636 1.000 2 B 39.627 1 ATOM 2063 O O . GLY 94 492 ? B 23.763 7.494 43.492 1.000 2 B 39.627 1 ATOM 2064 N N . GLY 95 493 ? B 21.943 7.394 44.696 1.000 2 B 37.715 1 ATOM 2065 C CA . GLY 95 493 ? B 20.971 8.429 45.012 1.000 2 B 37.715 1 ATOM 2066 C C . GLY 95 493 ? B 20.510 9.207 43.795 1.000 2 B 37.715 1 ATOM 2067 O O . GLY 95 493 ? B 21.291 9.447 42.872 1.000 2 B 37.715 1 ATOM 2068 N N . PRO 96 494 ? B 19.292 9.829 43.770 1.000 2 B 46.925 1 ATOM 2069 C CA . PRO 96 494 ? B 18.357 10.349 42.770 1.000 2 B 46.925 1 ATOM 2070 C C . PRO 96 494 ? B 18.418 11.870 42.641 1.000 2 B 46.925 1 ATOM 2071 O O . PRO 96 494 ? B 18.771 12.561 43.600 1.000 2 B 46.925 1 ATOM 2072 C CB . PRO 96 494 ? B 16.992 9.900 43.297 1.000 2 B 46.925 1 ATOM 2073 C CG . PRO 96 494 ? B 17.114 9.972 44.785 1.000 2 B 46.925 1 ATOM 2074 C CD . PRO 96 494 ? B 18.553 10.220 45.134 1.000 2 B 46.925 1 ATOM 2075 N N . SER 97 495 ? B 18.577 12.462 41.403 1.000 2 B 47.621 1 ATOM 2076 C CA . SER 97 495 ? B 18.360 13.863 41.058 1.000 2 B 47.621 1 ATOM 2077 C C . SER 97 495 ? B 17.385 14.001 39.893 1.000 2 B 47.621 1 ATOM 2078 O O . SER 97 495 ? B 17.516 13.308 38.882 1.000 2 B 47.621 1 ATOM 2079 C CB . SER 97 495 ? B 19.686 14.540 40.706 1.000 2 B 47.621 1 ATOM 2080 O OG . SER 97 495 ? B 20.036 15.499 41.689 1.000 2 B 47.621 1 ATOM 2081 N N . LEU 98 496 ? B 16.071 14.329 40.070 1.000 2 B 40.284 1 ATOM 2082 C CA . LEU 98 496 ? B 15.127 15.428 39.902 1.000 2 B 40.284 1 ATOM 2083 C C . LEU 98 496 ? B 15.732 16.540 39.051 1.000 2 B 40.284 1 ATOM 2084 O O . LEU 98 496 ? B 16.861 16.971 39.297 1.000 2 B 40.284 1 ATOM 2085 C CB . LEU 98 496 ? B 14.704 15.985 41.264 1.000 2 B 40.284 1 ATOM 2086 C CG . LEU 98 496 ? B 13.808 15.084 42.115 1.000 2 B 40.284 1 ATOM 2087 C CD1 . LEU 98 496 ? B 13.541 15.731 43.470 1.000 2 B 40.284 1 ATOM 2088 C CD2 . LEU 98 496 ? B 12.499 14.790 41.390 1.000 2 B 40.284 1 ATOM 2089 N N . LEU 99 497 ? B 15.226 16.822 37.783 1.000 2 B 34.127 1 ATOM 2090 C CA . LEU 99 497 ? B 14.579 17.941 37.106 1.000 2 B 34.127 1 ATOM 2091 C C . LEU 99 497 ? B 15.609 18.825 36.412 1.000 2 B 34.127 1 ATOM 2092 O O . LEU 99 497 ? B 16.583 19.256 37.033 1.000 2 B 34.127 1 ATOM 2093 C CB . LEU 99 497 ? B 13.763 18.771 38.101 1.000 2 B 34.127 1 ATOM 2094 C CG . LEU 99 497 ? B 12.554 18.078 38.732 1.000 2 B 34.127 1 ATOM 2095 C CD1 . LEU 99 497 ? B 11.901 18.989 39.766 1.000 2 B 34.127 1 ATOM 2096 C CD2 . LEU 99 497 ? B 11.550 17.672 37.658 1.000 2 B 34.127 1 ATOM 2097 N N . VAL 100 498 ? B 15.641 18.823 35.048 1.000 2 B 44.906 1 ATOM 2098 C CA . VAL 100 498 ? B 15.798 20.065 34.298 1.000 2 B 44.906 1 ATOM 2099 C C . VAL 100 498 ? B 15.246 19.890 32.885 1.000 2 B 44.906 1 ATOM 2100 O O . VAL 100 498 ? B 15.566 18.913 32.204 1.000 2 B 44.906 1 ATOM 2101 C CB . VAL 100 498 ? B 17.277 20.509 34.240 1.000 2 B 44.906 1 ATOM 2102 C CG1 . VAL 100 498 ? B 17.471 21.609 33.198 1.000 2 B 44.906 1 ATOM 2103 C CG2 . VAL 100 498 ? B 17.745 20.984 35.615 1.000 2 B 44.906 1 ATOM 2104 N N . PRO 101 499 ? B 14.231 20.783 32.450 1.000 2 B 41.287 1 ATOM 2105 C CA . PRO 101 499 ? B 13.681 21.070 31.123 1.000 2 B 41.287 1 ATOM 2106 C C . PRO 101 499 ? B 14.502 22.105 30.355 1.000 2 B 41.287 1 ATOM 2107 O O . PRO 101 499 ? B 15.016 23.055 30.951 1.000 2 B 41.287 1 ATOM 2108 C CB . PRO 101 499 ? B 12.279 21.603 31.429 1.000 2 B 41.287 1 ATOM 2109 C CG . PRO 101 499 ? B 12.169 21.555 32.919 1.000 2 B 41.287 1 ATOM 2110 C CD . PRO 101 499 ? B 13.552 21.458 33.496 1.000 2 B 41.287 1 ATOM 2111 N N . LEU 102 500 ? B 15.046 21.781 29.210 1.000 2 B 45.633 1 ATOM 2112 C CA . LEU 102 500 ? B 15.702 22.600 28.196 1.000 2 B 45.633 1 ATOM 2113 C C . LEU 102 500 ? B 14.753 22.897 27.040 1.000 2 B 45.633 1 ATOM 2114 O O . LEU 102 500 ? B 14.094 21.992 26.524 1.000 2 B 45.633 1 ATOM 2115 C CB . LEU 102 500 ? B 16.959 21.901 27.673 1.000 2 B 45.633 1 ATOM 2116 C CG . LEU 102 500 ? B 18.284 22.634 27.895 1.000 2 B 45.633 1 ATOM 2117 C CD1 . LEU 102 500 ? B 18.668 22.598 29.370 1.000 2 B 45.633 1 ATOM 2118 C CD2 . LEU 102 500 ? B 19.384 22.021 27.035 1.000 2 B 45.633 1 ATOM 2119 N N . PRO 103 501 ? B 14.610 24.227 26.668 1.000 2 B 44.808 1 ATOM 2120 C CA . PRO 103 501 ? B 13.819 25.120 25.818 1.000 2 B 44.808 1 ATOM 2121 C C . PRO 103 501 ? B 14.156 24.977 24.336 1.000 2 B 44.808 1 ATOM 2122 O O . PRO 103 501 ? B 15.285 24.622 23.987 1.000 2 B 44.808 1 ATOM 2123 C CB . PRO 103 501 ? B 14.190 26.514 26.330 1.000 2 B 44.808 1 ATOM 2124 C CG . PRO 103 501 ? B 15.603 26.384 26.801 1.000 2 B 44.808 1 ATOM 2125 C CD . PRO 103 501 ? B 15.943 24.924 26.892 1.000 2 B 44.808 1 ATOM 2126 N N . VAL 104 502 ? B 13.091 24.714 23.518 1.000 2 B 47.920 1 ATOM 2127 C CA . VAL 104 502 ? B 12.569 24.839 22.161 1.000 2 B 47.920 1 ATOM 2128 C C . VAL 104 502 ? B 12.804 26.257 21.645 1.000 2 B 47.920 1 ATOM 2129 O O . VAL 104 502 ? B 12.487 27.233 22.328 1.000 2 B 47.920 1 ATOM 2130 C CB . VAL 104 502 ? B 11.064 24.492 22.098 1.000 2 B 47.920 1 ATOM 2131 C CG1 . VAL 104 502 ? B 10.819 23.063 22.580 1.000 2 B 47.920 1 ATOM 2132 C CG2 . VAL 104 502 ? B 10.253 25.485 22.928 1.000 2 B 47.920 1 ATOM 2133 N N . ASN 105 503 ? B 13.920 26.659 21.088 1.000 2 B 54.130 1 ATOM 2134 C CA . ASN 105 503 ? B 14.400 27.621 20.102 1.000 2 B 54.130 1 ATOM 2135 C C . ASN 105 503 ? B 13.656 27.485 18.777 1.000 2 B 54.130 1 ATOM 2136 O O . ASN 105 503 ? B 13.577 26.393 18.213 1.000 2 B 54.130 1 ATOM 2137 C CB . ASN 105 503 ? B 15.906 27.459 19.884 1.000 2 B 54.130 1 ATOM 2138 C CG . ASN 105 503 ? B 16.556 28.717 19.340 1.000 2 B 54.130 1 ATOM 2139 O OD1 . ASN 105 503 ? B 16.041 29.824 19.521 1.000 2 B 54.130 1 ATOM 2140 N ND2 . ASN 105 503 ? B 17.691 28.556 18.671 1.000 2 B 54.130 1 ATOM 2141 N N . PRO 106 504 ? B 12.822 28.517 18.298 1.000 2 B 49.171 1 ATOM 2142 C CA . PRO 106 504 ? B 12.266 28.609 16.946 1.000 2 B 49.171 1 ATOM 2143 C C . PRO 106 504 ? B 13.203 29.317 15.970 1.000 2 B 49.171 1 ATOM 2144 O O . PRO 106 504 ? B 13.978 30.188 16.374 1.000 2 B 49.171 1 ATOM 2145 C CB . PRO 106 504 ? B 10.979 29.413 17.148 1.000 2 B 49.171 1 ATOM 2146 C CG . PRO 106 504 ? B 11.242 30.260 18.351 1.000 2 B 49.171 1 ATOM 2147 C CD . PRO 106 504 ? B 12.375 29.651 19.125 1.000 2 B 49.171 1 ATOM 2148 N N . PRO 107 505 ? B 13.264 28.846 14.699 1.000 2 B 60.318 1 ATOM 2149 C CA . PRO 107 505 ? B 14.021 29.494 13.626 1.000 2 B 60.318 1 ATOM 2150 C C . PRO 107 505 ? B 13.170 30.457 12.802 1.000 2 B 60.318 1 ATOM 2151 O O . PRO 107 505 ? B 11.971 30.227 12.621 1.000 2 B 60.318 1 ATOM 2152 C CB . PRO 107 505 ? B 14.498 28.318 12.770 1.000 2 B 60.318 1 ATOM 2153 C CG . PRO 107 505 ? B 13.497 27.235 13.017 1.000 2 B 60.318 1 ATOM 2154 C CD . PRO 107 505 ? B 12.829 27.496 14.337 1.000 2 B 60.318 1 ATOM 2155 N N . SER 108 506 ? B 13.282 31.838 12.936 1.000 2 B 41.882 1 ATOM 2156 C CA . SER 108 506 ? B 13.418 33.093 12.205 1.000 2 B 41.882 1 ATOM 2157 C C . SER 108 506 ? B 13.626 32.845 10.715 1.000 2 B 41.882 1 ATOM 2158 O O . SER 108 506 ? B 14.422 31.987 10.328 1.000 2 B 41.882 1 ATOM 2159 C CB . SER 108 506 ? B 14.582 33.915 12.760 1.000 2 B 41.882 1 ATOM 2160 O OG . SER 108 506 ? B 14.401 34.174 14.142 1.000 2 B 41.882 1 ATOM 2161 N N . SER 109 507 ? B 12.622 33.051 9.875 1.000 2 B 37.019 1 ATOM 2162 C CA . SER 109 507 ? B 12.175 33.680 8.636 1.000 2 B 37.019 1 ATOM 2163 C C . SER 109 507 ? B 13.227 34.642 8.094 1.000 2 B 37.019 1 ATOM 2164 O O . SER 109 507 ? B 13.744 35.484 8.831 1.000 2 B 37.019 1 ATOM 2165 C CB . SER 109 507 ? B 10.858 34.423 8.856 1.000 2 B 37.019 1 ATOM 2166 O OG . SER 109 507 ? B 10.648 34.678 10.235 1.000 2 B 37.019 1 ATOM 2167 N N . PRO 110 508 ? B 13.833 34.348 6.892 1.000 2 B 49.584 1 ATOM 2168 C CA . PRO 110 508 ? B 14.282 35.507 6.116 1.000 2 B 49.584 1 ATOM 2169 C C . PRO 110 508 ? B 13.624 35.587 4.741 1.000 2 B 49.584 1 ATOM 2170 O O . PRO 110 508 ? B 13.266 34.558 4.163 1.000 2 B 49.584 1 ATOM 2171 C CB . PRO 110 508 ? B 15.791 35.281 5.987 1.000 2 B 49.584 1 ATOM 2172 C CG . PRO 110 508 ? B 15.958 33.796 6.007 1.000 2 B 49.584 1 ATOM 2173 C CD . PRO 110 508 ? B 14.640 33.172 6.369 1.000 2 B 49.584 1 ATOM 2174 N N . THR 111 509 ? B 12.660 36.510 4.444 1.000 2 B 42.066 1 ATOM 2175 C CA . THR 111 509 ? B 12.217 37.427 3.401 1.000 2 B 42.066 1 ATOM 2176 C C . THR 111 509 ? B 13.367 37.771 2.458 1.000 2 B 42.066 1 ATOM 2177 O O . THR 111 509 ? B 14.441 38.178 2.904 1.000 2 B 42.066 1 ATOM 2178 C CB . THR 111 509 ? B 11.639 38.722 4.003 1.000 2 B 42.066 1 ATOM 2179 O OG1 . THR 111 509 ? B 12.305 39.005 5.240 1.000 2 B 42.066 1 ATOM 2180 C CG2 . THR 111 509 ? B 10.143 38.586 4.265 1.000 2 B 42.066 1 ATOM 2181 N N . PRO 112 510 ? B 13.298 37.424 1.131 1.000 2 B 56.680 1 ATOM 2182 C CA . PRO 112 510 ? B 14.087 38.113 0.106 1.000 2 B 56.680 1 ATOM 2183 C C . PRO 112 510 ? B 13.247 39.060 -0.747 1.000 2 B 56.680 1 ATOM 2184 O O . PRO 112 510 ? B 12.039 38.856 -0.896 1.000 2 B 56.680 1 ATOM 2185 C CB . PRO 112 510 ? B 14.646 36.965 -0.739 1.000 2 B 56.680 1 ATOM 2186 C CG . PRO 112 510 ? B 13.616 35.886 -0.646 1.000 2 B 56.680 1 ATOM 2187 C CD . PRO 112 510 ? B 12.710 36.189 0.513 1.000 2 B 56.680 1 ATOM 2188 N N . SER 113 511 ? B 13.348 40.404 -0.525 1.000 2 B 40.533 1 ATOM 2189 C CA . SER 113 511 ? B 13.706 41.699 -1.094 1.000 2 B 40.533 1 ATOM 2190 C C . SER 113 511 ? B 13.584 41.688 -2.614 1.000 2 B 40.533 1 ATOM 2191 O O . SER 113 511 ? B 14.145 40.816 -3.280 1.000 2 B 40.533 1 ATOM 2192 C CB . SER 113 511 ? B 15.129 42.088 -0.691 1.000 2 B 40.533 1 ATOM 2193 O OG . SER 113 511 ? B 15.257 43.496 -0.595 1.000 2 B 40.533 1 ATOM 2194 N N . PHE 114 512 ? B 12.537 42.303 -3.166 1.000 2 B 40.371 1 ATOM 2195 C CA . PHE 114 512 ? B 11.968 43.203 -4.161 1.000 2 B 40.371 1 ATOM 2196 C C . PHE 114 512 ? B 13.007 44.213 -4.634 1.000 2 B 40.371 1 ATOM 2197 O O . PHE 114 512 ? B 13.597 44.931 -3.823 1.000 2 B 40.371 1 ATOM 2198 C CB . PHE 114 512 ? B 10.747 43.933 -3.593 1.000 2 B 40.371 1 ATOM 2199 C CG . PHE 114 512 ? B 9.440 43.485 -4.189 1.000 2 B 40.371 1 ATOM 2200 C CD1 . PHE 114 512 ? B 8.913 44.124 -5.304 1.000 2 B 40.371 1 ATOM 2201 C CD2 . PHE 114 512 ? B 8.738 42.423 -3.633 1.000 2 B 40.371 1 ATOM 2202 C CE1 . PHE 114 512 ? B 7.703 43.710 -5.858 1.000 2 B 40.371 1 ATOM 2203 C CE2 . PHE 114 512 ? B 7.529 42.004 -4.180 1.000 2 B 40.371 1 ATOM 2204 C CZ . PHE 114 512 ? B 7.013 42.650 -5.292 1.000 2 B 40.371 1 ATOM 2205 N N . SER 115 513 ? B 13.792 43.941 -5.648 1.000 2 B 42.097 1 ATOM 2206 C CA . SER 115 513 ? B 14.453 44.978 -6.433 1.000 2 B 42.097 1 ATOM 2207 C C . SER 115 513 ? B 14.064 44.890 -7.905 1.000 2 B 42.097 1 ATOM 2208 O O . SER 115 513 ? B 13.998 43.797 -8.470 1.000 2 B 42.097 1 ATOM 2209 C CB . SER 115 513 ? B 15.972 44.872 -6.291 1.000 2 B 42.097 1 ATOM 2210 O OG . SER 115 513 ? B 16.338 44.671 -4.936 1.000 2 B 42.097 1 ATOM 2211 N N . ASP 116 514 ? B 13.213 45.748 -8.421 1.000 2 B 34.873 1 ATOM 2212 C CA . ASP 116 514 ? B 13.024 46.915 -9.277 1.000 2 B 34.873 1 ATOM 2213 C C . ASP 116 514 ? B 14.254 47.163 -10.147 1.000 2 B 34.873 1 ATOM 2214 O O . ASP 116 514 ? B 15.368 47.296 -9.634 1.000 2 B 34.873 1 ATOM 2215 C CB . ASP 116 514 ? B 12.718 48.155 -8.434 1.000 2 B 34.873 1 ATOM 2216 C CG . ASP 116 514 ? B 11.683 49.065 -9.072 1.000 2 B 34.873 1 ATOM 2217 O OD1 . ASP 116 514 ? B 12.012 49.776 -10.045 1.000 2 B 34.873 1 ATOM 2218 O OD2 . ASP 116 514 ? B 10.527 49.072 -8.595 1.000 2 B 34.873 1 ATOM 2219 N N . ALA 117 515 ? B 14.292 46.729 -11.398 1.000 2 B 41.853 1 ATOM 2220 C CA . ALA 117 515 ? B 15.050 47.398 -12.452 1.000 2 B 41.853 1 ATOM 2221 C C . ALA 117 515 ? B 14.263 47.426 -13.760 1.000 2 B 41.853 1 ATOM 2222 O O . ALA 117 515 ? B 13.729 46.402 -14.193 1.000 2 B 41.853 1 ATOM 2223 C CB . ALA 117 515 ? B 16.396 46.708 -12.660 1.000 2 B 41.853 1 ATOM 2224 N N . LYS 118 516 ? B 13.534 48.493 -14.069 1.000 2 B 34.181 1 ATOM 2225 C CA . LYS 118 516 ? B 13.453 49.696 -14.893 1.000 2 B 34.181 1 ATOM 2226 C C . LYS 118 516 ? B 14.369 49.592 -16.109 1.000 2 B 34.181 1 ATOM 2227 O O . LYS 118 516 ? B 15.545 49.245 -15.979 1.000 2 B 34.181 1 ATOM 2228 C CB . LYS 118 516 ? B 13.812 50.934 -14.070 1.000 2 B 34.181 1 ATOM 2229 C CG . LYS 118 516 ? B 13.469 52.251 -14.753 1.000 2 B 34.181 1 ATOM 2230 C CD . LYS 118 516 ? B 13.663 53.434 -13.813 1.000 2 B 34.181 1 ATOM 2231 C CE . LYS 118 516 ? B 13.360 54.755 -14.507 1.000 2 B 34.181 1 ATOM 2232 N NZ . LYS 118 516 ? B 11.929 55.151 -14.345 1.000 2 B 34.181 1 ATOM 2233 N N . ALA 119 517 ? B 13.797 49.579 -17.308 1.000 2 B 32.441 1 ATOM 2234 C CA . ALA 119 517 ? B 13.695 50.496 -18.441 1.000 2 B 32.441 1 ATOM 2235 C C . ALA 119 517 ? B 14.886 50.339 -19.382 1.000 2 B 32.441 1 ATOM 2236 O O . ALA 119 517 ? B 16.031 50.240 -18.934 1.000 2 B 32.441 1 ATOM 2237 C CB . ALA 119 517 ? B 13.596 51.938 -17.950 1.000 2 B 32.441 1 ATOM 2238 N N . ALA 120 518 ? B 14.607 49.961 -20.678 1.000 2 B 35.118 1 ATOM 2239 C CA . ALA 120 518 ? B 14.925 50.750 -21.865 1.000 2 B 35.118 1 ATOM 2240 C C . ALA 120 518 ? B 15.543 49.878 -22.954 1.000 2 B 35.118 1 ATOM 2241 O O . ALA 120 518 ? B 16.451 49.089 -22.685 1.000 2 B 35.118 1 ATOM 2242 C CB . ALA 120 518 ? B 15.868 51.896 -21.506 1.000 2 B 35.118 1 ATOM 2243 N N . GLY 121 519 ? B 14.764 49.615 -24.062 1.000 2 B 35.766 1 ATOM 2244 C CA . GLY 121 519 ? B 15.030 50.119 -25.401 1.000 2 B 35.766 1 ATOM 2245 C C . GLY 121 519 ? B 15.364 49.022 -26.395 1.000 2 B 35.766 1 ATOM 2246 O O . GLY 121 519 ? B 16.113 48.096 -26.077 1.000 2 B 35.766 1 ATOM 2247 N N . ALA 122 520 ? B 14.410 48.748 -27.371 1.000 2 B 34.289 1 ATOM 2248 C CA . ALA 122 520 ? B 14.495 49.097 -28.787 1.000 2 B 34.289 1 ATOM 2249 C C . ALA 122 520 ? B 15.115 47.962 -29.596 1.000 2 B 34.289 1 ATOM 2250 O O . ALA 122 520 ? B 16.126 47.383 -29.191 1.000 2 B 34.289 1 ATOM 2251 C CB . ALA 122 520 ? B 15.302 50.380 -28.971 1.000 2 B 34.289 1 ATOM 2252 N N . LEU 123 521 ? B 14.304 47.278 -30.432 1.000 2 B 32.673 1 ATOM 2253 C CA . LEU 123 521 ? B 14.099 47.104 -31.866 1.000 2 B 32.673 1 ATOM 2254 C C . LEU 123 521 ? B 15.391 46.671 -32.551 1.000 2 B 32.673 1 ATOM 2255 O O . LEU 123 521 ? B 16.411 47.357 -32.452 1.000 2 B 32.673 1 ATOM 2256 C CB . LEU 123 521 ? B 13.584 48.401 -32.495 1.000 2 B 32.673 1 ATOM 2257 C CG . LEU 123 521 ? B 12.184 48.849 -32.075 1.000 2 B 32.673 1 ATOM 2258 C CD1 . LEU 123 521 ? B 11.807 50.145 -32.785 1.000 2 B 32.673 1 ATOM 2259 C CD2 . LEU 123 521 ? B 11.162 47.756 -32.368 1.000 2 B 32.673 1 ATOM 2260 N N . LEU 124 522 ? B 15.597 45.324 -32.927 1.000 2 B 47.684 1 ATOM 2261 C CA . LEU 124 522 ? B 16.285 45.040 -34.181 1.000 2 B 47.684 1 ATOM 2262 C C . LEU 124 522 ? B 16.389 43.536 -34.416 1.000 2 B 47.684 1 ATOM 2263 O O . LEU 124 522 ? B 16.835 42.796 -33.536 1.000 2 B 47.684 1 ATOM 2264 C CB . LEU 124 522 ? B 17.682 45.665 -34.181 1.000 2 B 47.684 1 ATOM 2265 C CG . LEU 124 522 ? B 18.334 45.870 -35.549 1.000 2 B 47.684 1 ATOM 2266 C CD1 . LEU 124 522 ? B 17.727 47.081 -36.250 1.000 2 B 47.684 1 ATOM 2267 C CD2 . LEU 124 522 ? B 19.844 46.032 -35.404 1.000 2 B 47.684 1 ATOM 2268 N N . ASN 125 523 ? B 15.486 42.820 -35.156 1.000 2 B 33.803 1 ATOM 2269 C CA . ASN 125 523 ? B 15.540 42.090 -36.419 1.000 2 B 33.803 1 ATOM 2270 C C . ASN 125 523 ? B 16.935 41.533 -36.686 1.000 2 B 33.803 1 ATOM 2271 O O . ASN 125 523 ? B 17.893 42.293 -36.837 1.000 2 B 33.803 1 ATOM 2272 C CB . ASN 125 523 ? B 15.096 42.988 -37.576 1.000 2 B 33.803 1 ATOM 2273 C CG . ASN 125 523 ? B 14.261 42.247 -38.602 1.000 2 B 33.803 1 ATOM 2274 O OD1 . ASN 125 523 ? B 13.873 41.095 -38.390 1.000 2 B 33.803 1 ATOM 2275 N ND2 . ASN 125 523 ? B 13.978 42.903 -39.722 1.000 2 B 33.803 1 ATOM 2276 N N . GLY 126 524 ? B 17.245 40.218 -36.429 1.000 2 B 34.522 1 ATOM 2277 C CA . GLY 126 524 ? B 18.006 39.382 -37.344 1.000 2 B 34.522 1 ATOM 2278 C C . GLY 126 524 ? B 18.526 38.111 -36.699 1.000 2 B 34.522 1 ATOM 2279 O O . GLY 126 524 ? B 18.865 38.105 -35.514 1.000 2 B 34.522 1 ATOM 2280 N N . PRO 127 525 ? B 18.462 36.869 -37.465 1.000 2 B 45.854 1 ATOM 2281 C CA . PRO 127 525 ? B 18.786 35.507 -37.036 1.000 2 B 45.854 1 ATOM 2282 C C . PRO 127 525 ? B 20.275 35.191 -37.148 1.000 2 B 45.854 1 ATOM 2283 O O . PRO 127 525 ? B 20.935 35.632 -38.092 1.000 2 B 45.854 1 ATOM 2284 C CB . PRO 127 525 ? B 17.969 34.633 -37.991 1.000 2 B 45.854 1 ATOM 2285 C CG . PRO 127 525 ? B 17.650 35.525 -39.147 1.000 2 B 45.854 1 ATOM 2286 C CD . PRO 127 525 ? B 18.436 36.796 -39.000 1.000 2 B 45.854 1 ATOM 2287 N N . PRO 128 526 ? B 20.918 34.833 -36.002 1.000 2 B 39.142 1 ATOM 2288 C CA . PRO 128 526 ? B 22.057 33.995 -36.382 1.000 2 B 39.142 1 ATOM 2289 C C . PRO 128 526 ? B 22.096 32.672 -35.621 1.000 2 B 39.142 1 ATOM 2290 O O . PRO 128 526 ? B 21.527 32.565 -34.532 1.000 2 B 39.142 1 ATOM 2291 C CB . PRO 128 526 ? B 23.267 34.864 -36.029 1.000 2 B 39.142 1 ATOM 2292 C CG . PRO 128 526 ? B 22.856 35.611 -34.802 1.000 2 B 39.142 1 ATOM 2293 C CD . PRO 128 526 ? B 21.409 35.317 -34.527 1.000 2 B 39.142 1 ATOM 2294 N N . GLN 129 527 ? B 21.942 31.531 -36.377 1.000 2 B 32.092 1 ATOM 2295 C CA . GLN 129 527 ? B 22.829 30.433 -36.745 1.000 2 B 32.092 1 ATOM 2296 C C . GLN 129 527 ? B 24.077 30.414 -35.866 1.000 2 B 32.092 1 ATOM 2297 O O . GLN 129 527 ? B 24.742 31.439 -35.701 1.000 2 B 32.092 1 ATOM 2298 C CB . GLN 129 527 ? B 23.227 30.534 -38.218 1.000 2 B 32.092 1 ATOM 2299 C CG . GLN 129 527 ? B 22.091 30.228 -39.185 1.000 2 B 32.092 1 ATOM 2300 C CD . GLN 129 527 ? B 22.253 28.887 -39.876 1.000 2 B 32.092 1 ATOM 2301 O OE1 . GLN 129 527 ? B 23.370 28.470 -40.195 1.000 2 B 32.092 1 ATOM 2302 N NE2 . GLN 129 527 ? B 21.138 28.204 -40.112 1.000 2 B 32.092 1 ATOM 2303 N N . PHE 130 528 ? B 24.119 29.603 -34.757 1.000 2 B 38.136 1 ATOM 2304 C CA . PHE 130 528 ? B 25.347 28.963 -34.301 1.000 2 B 38.136 1 ATOM 2305 C C . PHE 130 528 ? B 25.073 28.049 -33.113 1.000 2 B 38.136 1 ATOM 2306 O O . PHE 130 528 ? B 24.394 28.443 -32.163 1.000 2 B 38.136 1 ATOM 2307 C CB . PHE 130 528 ? B 26.395 30.015 -33.924 1.000 2 B 38.136 1 ATOM 2308 C CG . PHE 130 528 ? B 27.015 30.706 -35.108 1.000 2 B 38.136 1 ATOM 2309 C CD1 . PHE 130 528 ? B 28.042 30.104 -35.823 1.000 2 B 38.136 1 ATOM 2310 C CD2 . PHE 130 528 ? B 26.570 31.960 -35.505 1.000 2 B 38.136 1 ATOM 2311 C CE1 . PHE 130 528 ? B 28.618 30.742 -36.919 1.000 2 B 38.136 1 ATOM 2312 C CE2 . PHE 130 528 ? B 27.140 32.604 -36.600 1.000 2 B 38.136 1 ATOM 2313 C CZ . PHE 130 528 ? B 28.165 31.994 -37.305 1.000 2 B 38.136 1 ATOM 2314 N N . SER 131 529 ? B 24.922 26.725 -33.355 1.000 2 B 35.062 1 ATOM 2315 C CA . SER 131 529 ? B 25.866 25.688 -32.955 1.000 2 B 35.062 1 ATOM 2316 C C . SER 131 529 ? B 25.312 24.848 -31.808 1.000 2 B 35.062 1 ATOM 2317 O O . SER 131 529 ? B 24.874 25.389 -30.791 1.000 2 B 35.062 1 ATOM 2318 C CB . SER 131 529 ? B 27.202 26.308 -32.544 1.000 2 B 35.062 1 ATOM 2319 O OG . SER 131 529 ? B 28.154 26.189 -33.588 1.000 2 B 35.062 1 ATOM 2320 N N . THR 132 530 ? B 24.656 23.721 -32.149 1.000 2 B 34.835 1 ATOM 2321 C CA . THR 132 530 ? B 24.604 22.271 -32.000 1.000 2 B 34.835 1 ATOM 2322 C C . THR 132 530 ? B 25.560 21.806 -30.905 1.000 2 B 34.835 1 ATOM 2323 O O . THR 132 530 ? B 26.775 21.980 -31.019 1.000 2 B 34.835 1 ATOM 2324 C CB . THR 132 530 ? B 24.949 21.561 -33.322 1.000 2 B 34.835 1 ATOM 2325 O OG1 . THR 132 530 ? B 26.229 22.013 -33.781 1.000 2 B 34.835 1 ATOM 2326 C CG2 . THR 132 530 ? B 23.904 21.856 -34.393 1.000 2 B 34.835 1 ATOM 2327 N N . ALA 133 531 ? B 25.250 21.927 -29.629 1.000 2 B 36.599 1 ATOM 2328 C CA . ALA 133 531 ? B 25.694 20.944 -28.644 1.000 2 B 36.599 1 ATOM 2329 C C . ALA 133 531 ? B 24.505 20.318 -27.920 1.000 2 B 36.599 1 ATOM 2330 O O . ALA 133 531 ? B 23.645 21.030 -27.396 1.000 2 B 36.599 1 ATOM 2331 C CB . ALA 133 531 ? B 26.644 21.589 -27.639 1.000 2 B 36.599 1 ATOM 2332 N N . PRO 134 532 ? B 24.070 19.079 -28.322 1.000 2 B 42.111 1 ATOM 2333 C CA . PRO 134 532 ? B 23.019 18.396 -27.565 1.000 2 B 42.111 1 ATOM 2334 C C . PRO 134 532 ? B 23.460 18.017 -26.153 1.000 2 B 42.111 1 ATOM 2335 O O . PRO 134 532 ? B 24.598 17.583 -25.954 1.000 2 B 42.111 1 ATOM 2336 C CB . PRO 134 532 ? B 22.735 17.147 -28.402 1.000 2 B 42.111 1 ATOM 2337 C CG . PRO 134 532 ? B 24.054 16.784 -29.006 1.000 2 B 42.111 1 ATOM 2338 C CD . PRO 134 532 ? B 25.024 17.899 -28.738 1.000 2 B 42.111 1 ATOM 2339 N N . GLU 135 533 ? B 23.568 18.812 -25.228 1.000 2 B 35.420 1 ATOM 2340 C CA . GLU 135 533 ? B 23.378 18.555 -23.803 1.000 2 B 35.420 1 ATOM 2341 C C . GLU 135 533 ? B 22.137 17.703 -23.557 1.000 2 B 35.420 1 ATOM 2342 O O . GLU 135 533 ? B 21.023 18.105 -23.900 1.000 2 B 35.420 1 ATOM 2343 C CB . GLU 135 533 ? B 23.276 19.870 -23.028 1.000 2 B 35.420 1 ATOM 2344 C CG . GLU 135 533 ? B 23.604 19.739 -21.548 1.000 2 B 35.420 1 ATOM 2345 C CD . GLU 135 533 ? B 23.083 20.898 -20.713 1.000 2 B 35.420 1 ATOM 2346 O OE1 . GLU 135 533 ? B 22.079 20.719 -19.986 1.000 2 B 35.420 1 ATOM 2347 O OE2 . GLU 135 533 ? B 23.683 21.994 -20.787 1.000 2 B 35.420 1 ATOM 2348 N N . ILE 136 534 ? B 22.134 16.483 -24.027 1.000 2 B 44.062 1 ATOM 2349 C CA . ILE 136 534 ? B 21.455 15.248 -23.651 1.000 2 B 44.062 1 ATOM 2350 C C . ILE 136 534 ? B 20.890 15.379 -22.238 1.000 2 B 44.062 1 ATOM 2351 O O . ILE 136 534 ? B 21.644 15.521 -21.272 1.000 2 B 44.062 1 ATOM 2352 C CB . ILE 136 534 ? B 22.405 14.032 -23.738 1.000 2 B 44.062 1 ATOM 2353 C CG1 . ILE 136 534 ? B 22.877 13.826 -25.181 1.000 2 B 44.062 1 ATOM 2354 C CG2 . ILE 136 534 ? B 21.720 12.772 -23.200 1.000 2 B 44.062 1 ATOM 2355 C CD1 . ILE 136 534 ? B 24.092 12.917 -25.311 1.000 2 B 44.062 1 ATOM 2356 N N . LYS 137 535 ? B 20.158 16.382 -21.942 1.000 2 B 38.274 1 ATOM 2357 C CA . LYS 137 535 ? B 19.118 16.386 -20.918 1.000 2 B 38.274 1 ATOM 2358 C C . LYS 137 535 ? B 18.354 15.066 -20.905 1.000 2 B 38.274 1 ATOM 2359 O O . LYS 137 535 ? B 17.826 14.637 -21.933 1.000 2 B 38.274 1 ATOM 2360 C CB . LYS 137 535 ? B 18.150 17.549 -21.142 1.000 2 B 38.274 1 ATOM 2361 C CG . LYS 137 535 ? B 17.331 17.919 -19.914 1.000 2 B 38.274 1 ATOM 2362 C CD . LYS 137 535 ? B 16.695 19.295 -20.059 1.000 2 B 38.274 1 ATOM 2363 C CE . LYS 137 535 ? B 15.821 19.637 -18.860 1.000 2 B 38.274 1 ATOM 2364 N NZ . LYS 137 535 ? B 15.489 21.093 -18.814 1.000 2 B 38.274 1 ATOM 2365 N N . ALA 138 536 ? B 19.046 13.975 -20.643 1.000 2 B 42.582 1 ATOM 2366 C CA . ALA 138 536 ? B 18.439 12.709 -20.239 1.000 2 B 42.582 1 ATOM 2367 C C . ALA 138 536 ? B 16.936 12.863 -20.030 1.000 2 B 42.582 1 ATOM 2368 O O . ALA 138 536 ? B 16.489 13.782 -19.340 1.000 2 B 42.582 1 ATOM 2369 C CB . ALA 138 536 ? B 19.099 12.186 -18.966 1.000 2 B 42.582 1 ATOM 2370 N N . PRO 139 537 ? B 16.143 12.651 -21.039 1.000 2 B 42.362 1 ATOM 2371 C CA . PRO 139 537 ? B 14.703 12.579 -20.781 1.000 2 B 42.362 1 ATOM 2372 C C . PRO 139 537 ? B 14.367 11.775 -19.527 1.000 2 B 42.362 1 ATOM 2373 O O . PRO 139 537 ? B 15.004 10.754 -19.256 1.000 2 B 42.362 1 ATOM 2374 C CB . PRO 139 537 ? B 14.153 11.892 -22.033 1.000 2 B 42.362 1 ATOM 2375 C CG . PRO 139 537 ? B 15.333 11.202 -22.639 1.000 2 B 42.362 1 ATOM 2376 C CD . PRO 139 537 ? B 16.554 11.555 -21.839 1.000 2 B 42.362 1 ATOM 2377 N N . GLU 140 538 ? B 14.590 12.273 -18.363 1.000 2 B 44.575 1 ATOM 2378 C CA . GLU 140 538 ? B 14.017 11.764 -17.121 1.000 2 B 44.575 1 ATOM 2379 C C . GLU 140 538 ? B 13.039 10.624 -17.390 1.000 2 B 44.575 1 ATOM 2380 O O . GLU 140 538 ? B 11.951 10.846 -17.924 1.000 2 B 44.575 1 ATOM 2381 C CB . GLU 140 538 ? B 13.316 12.888 -16.352 1.000 2 B 44.575 1 ATOM 2382 C CG . GLU 140 538 ? B 14.272 13.840 -15.648 1.000 2 B 44.575 1 ATOM 2383 C CD . GLU 140 538 ? B 14.112 13.841 -14.136 1.000 2 B 44.575 1 ATOM 2384 O OE1 . GLU 140 538 ? B 15.135 13.915 -13.417 1.000 2 B 44.575 1 ATOM 2385 O OE2 . GLU 140 538 ? B 12.955 13.765 -13.666 1.000 2 B 44.575 1 ATOM 2386 N N . PRO 141 539 ? B 13.496 9.448 -17.828 1.000 2 B 48.173 1 ATOM 2387 C CA . PRO 141 539 ? B 12.491 8.394 -17.978 1.000 2 B 48.173 1 ATOM 2388 C C . PRO 141 539 ? B 11.973 7.878 -16.637 1.000 2 B 48.173 1 ATOM 2389 O O . PRO 141 539 ? B 11.070 7.039 -16.601 1.000 2 B 48.173 1 ATOM 2390 C CB . PRO 141 539 ? B 13.243 7.294 -18.732 1.000 2 B 48.173 1 ATOM 2391 C CG . PRO 141 539 ? B 14.669 7.451 -18.314 1.000 2 B 48.173 1 ATOM 2392 C CD . PRO 141 539 ? B 14.813 8.758 -17.589 1.000 2 B 48.173 1 ATOM 2393 N N . LEU 142 540 ? B 11.613 8.665 -15.680 1.000 2 B 40.642 1 ATOM 2394 C CA . LEU 142 540 ? B 11.053 8.013 -14.502 1.000 2 B 40.642 1 ATOM 2395 C C . LEU 142 540 ? B 9.713 8.633 -14.123 1.000 2 B 40.642 1 ATOM 2396 O O . LEU 142 540 ? B 9.351 8.668 -12.944 1.000 2 B 40.642 1 ATOM 2397 C CB . LEU 142 540 ? B 12.025 8.109 -13.323 1.000 2 B 40.642 1 ATOM 2398 C CG . LEU 142 540 ? B 13.366 7.393 -13.489 1.000 2 B 40.642 1 ATOM 2399 C CD1 . LEU 142 540 ? B 14.277 7.690 -12.303 1.000 2 B 40.642 1 ATOM 2400 C CD2 . LEU 142 540 ? B 13.154 5.891 -13.644 1.000 2 B 40.642 1 ATOM 2401 N N . SER 143 541 ? B 8.718 8.650 -15.015 1.000 2 B 56.290 1 ATOM 2402 C CA . SER 143 541 ? B 7.472 8.418 -14.292 1.000 2 B 56.290 1 ATOM 2403 C C . SER 143 541 ? B 6.511 7.560 -15.108 1.000 2 B 56.290 1 ATOM 2404 O O . SER 143 541 ? B 5.653 8.086 -15.820 1.000 2 B 56.290 1 ATOM 2405 C CB . SER 143 541 ? B 6.804 9.746 -13.934 1.000 2 B 56.290 1 ATOM 2406 O OG . SER 143 541 ? B 5.767 9.549 -12.989 1.000 2 B 56.290 1 ATOM 2407 N N . SER 144 542 ? B 6.870 6.318 -15.603 1.000 2 B 74.190 1 ATOM 2408 C CA . SER 144 542 ? B 6.298 5.253 -16.421 1.000 2 B 74.190 1 ATOM 2409 C C . SER 144 542 ? B 4.996 4.734 -15.819 1.000 2 B 74.190 1 ATOM 2410 O O . SER 144 542 ? B 4.029 4.482 -16.542 1.000 2 B 74.190 1 ATOM 2411 C CB . SER 144 542 ? B 7.292 4.102 -16.576 1.000 2 B 74.190 1 ATOM 2412 O OG . SER 144 542 ? B 8.365 4.475 -17.424 1.000 2 B 74.190 1 ATOM 2413 N N . LEU 145 543 ? B 4.805 5.009 -14.433 1.000 2 B 81.042 1 ATOM 2414 C CA . LEU 145 543 ? B 3.556 4.440 -13.939 1.000 2 B 81.042 1 ATOM 2415 C C . LEU 145 543 ? B 2.398 5.411 -14.144 1.000 2 B 81.042 1 ATOM 2416 O O . LEU 145 543 ? B 1.303 5.003 -14.538 1.000 2 B 81.042 1 ATOM 2417 C CB . LEU 145 543 ? B 3.680 4.081 -12.456 1.000 2 B 81.042 1 ATOM 2418 C CG . LEU 145 543 ? B 2.544 3.245 -11.864 1.000 2 B 81.042 1 ATOM 2419 C CD1 . LEU 145 543 ? B 2.414 1.922 -12.611 1.000 2 B 81.042 1 ATOM 2420 C CD2 . LEU 145 543 ? B 2.776 3.004 -10.376 1.000 2 B 81.042 1 ATOM 2421 N N . LYS 146 544 ? B 2.739 6.643 -13.882 1.000 2 B 85.279 1 ATOM 2422 C CA . LYS 146 544 ? B 1.759 7.687 -14.167 1.000 2 B 85.279 1 ATOM 2423 C C . LYS 146 544 ? B 1.333 7.655 -15.632 1.000 2 B 85.279 1 ATOM 2424 O O . LYS 146 544 ? B 0.141 7.727 -15.938 1.000 2 B 85.279 1 ATOM 2425 C CB . LYS 146 544 ? B 2.324 9.064 -13.816 1.000 2 B 85.279 1 ATOM 2426 C CG . LYS 146 544 ? B 1.394 10.220 -14.153 1.000 2 B 85.279 1 ATOM 2427 C CD . LYS 146 544 ? B 2.013 11.562 -13.786 1.000 2 B 85.279 1 ATOM 2428 C CE . LYS 146 544 ? B 1.155 12.725 -14.267 1.000 2 B 85.279 1 ATOM 2429 N NZ . LYS 146 544 ? B 1.492 13.994 -13.555 1.000 2 B 85.279 1 ATOM 2430 N N . SER 147 545 ? B 2.283 7.707 -16.511 1.000 2 B 86.351 1 ATOM 2431 C CA . SER 147 545 ? B 2.014 7.692 -17.945 1.000 2 B 86.351 1 ATOM 2432 C C . SER 147 545 ? B 1.221 6.453 -18.346 1.000 2 B 86.351 1 ATOM 2433 O O . SER 147 545 ? B 0.282 6.540 -19.140 1.000 2 B 86.351 1 ATOM 2434 C CB . SER 147 545 ? B 3.321 7.749 -18.737 1.000 2 B 86.351 1 ATOM 2435 O OG . SER 147 545 ? B 3.971 8.994 -18.546 1.000 2 B 86.351 1 ATOM 2436 N N . MET 148 546 ? B 1.491 5.382 -17.650 1.000 2 B 84.928 1 ATOM 2437 C CA . MET 148 546 ? B 0.799 4.136 -17.966 1.000 2 B 84.928 1 ATOM 2438 C C . MET 148 546 ? B -0.650 4.184 -17.493 1.000 2 B 84.928 1 ATOM 2439 O O . MET 148 546 ? B -1.554 3.735 -18.201 1.000 2 B 84.928 1 ATOM 2440 C CB . MET 148 546 ? B 1.518 2.945 -17.331 1.000 2 B 84.928 1 ATOM 2441 C CG . MET 148 546 ? B 2.901 2.687 -17.905 1.000 2 B 84.928 1 ATOM 2442 S SD . MET 148 546 ? B 3.794 1.353 -17.016 1.000 2 B 84.928 1 ATOM 2443 C CE . MET 148 546 ? B 2.820 -0.087 -17.537 1.000 2 B 84.928 1 ATOM 2444 N N . ALA 149 547 ? B -0.765 4.735 -16.337 1.000 2 B 84.810 1 ATOM 2445 C CA . ALA 149 547 ? B -2.113 4.869 -15.791 1.000 2 B 84.810 1 ATOM 2446 C C . ALA 149 547 ? B -2.954 5.824 -16.634 1.000 2 B 84.810 1 ATOM 2447 O O . ALA 149 547 ? B -4.127 5.554 -16.903 1.000 2 B 84.810 1 ATOM 2448 C CB . ALA 149 547 ? B -2.054 5.353 -14.344 1.000 2 B 84.810 1 ATOM 2449 N N . GLU 150 548 ? B -2.337 6.828 -17.074 1.000 2 B 87.182 1 ATOM 2450 C CA . GLU 150 548 ? B -3.019 7.827 -17.892 1.000 2 B 87.182 1 ATOM 2451 C C . GLU 150 548 ? B -3.340 7.279 -19.279 1.000 2 B 87.182 1 ATOM 2452 O O . GLU 150 548 ? B -4.431 7.508 -19.805 1.000 2 B 87.182 1 ATOM 2453 C CB . GLU 150 548 ? B -2.170 9.095 -18.010 1.000 2 B 87.182 1 ATOM 2454 C CG . GLU 150 548 ? B -2.885 10.253 -18.691 1.000 2 B 87.182 1 ATOM 2455 C CD . GLU 150 548 ? B -2.074 11.539 -18.698 1.000 2 B 87.182 1 ATOM 2456 O OE1 . GLU 150 548 ? B -2.555 12.557 -19.245 1.000 2 B 87.182 1 ATOM 2457 O OE2 . GLU 150 548 ? B -0.948 11.528 -18.153 1.000 2 B 87.182 1 ATOM 2458 N N . ARG 151 549 ? B -2.450 6.596 -19.864 1.000 2 B 85.647 1 ATOM 2459 C CA . ARG 151 549 ? B -2.655 6.031 -21.194 1.000 2 B 85.647 1 ATOM 2460 C C . ARG 151 549 ? B -3.744 4.964 -21.174 1.000 2 B 85.647 1 ATOM 2461 O O . ARG 151 549 ? B -4.506 4.828 -22.134 1.000 2 B 85.647 1 ATOM 2462 C CB . ARG 151 549 ? B -1.352 5.440 -21.735 1.000 2 B 85.647 1 ATOM 2463 C CG . ARG 151 549 ? B -0.333 6.483 -22.165 1.000 2 B 85.647 1 ATOM 2464 C CD . ARG 151 549 ? B -0.682 7.087 -23.519 1.000 2 B 85.647 1 ATOM 2465 N NE . ARG 151 549 ? B 0.330 8.042 -23.960 1.000 2 B 85.647 1 ATOM 2466 C CZ . ARG 151 549 ? B 0.298 8.701 -25.115 1.000 2 B 85.647 1 ATOM 2467 N NH1 . ARG 151 549 ? B -0.701 8.520 -25.972 1.000 2 B 85.647 1 ATOM 2468 N NH2 . ARG 151 549 ? B 1.272 9.547 -25.417 1.000 2 B 85.647 1 ATOM 2469 N N . ALA 152 550 ? B -3.726 4.216 -20.144 1.000 2 B 81.582 1 ATOM 2470 C CA . ALA 152 550 ? B -4.752 3.183 -20.021 1.000 2 B 81.582 1 ATOM 2471 C C . ALA 152 550 ? B -6.143 3.803 -19.913 1.000 2 B 81.582 1 ATOM 2472 O O . ALA 152 550 ? B -7.124 3.228 -20.392 1.000 2 B 81.582 1 ATOM 2473 C CB . ALA 152 550 ? B -4.473 2.296 -18.811 1.000 2 B 81.582 1 ATOM 2474 N N . ALA 153 551 ? B -6.187 4.919 -19.339 1.000 2 B 80.294 1 ATOM 2475 C CA . ALA 153 551 ? B -7.459 5.625 -19.197 1.000 2 B 80.294 1 ATOM 2476 C C . ALA 153 551 ? B -7.947 6.150 -20.544 1.000 2 B 80.294 1 ATOM 2477 O O . ALA 153 551 ? B -9.148 6.133 -20.825 1.000 2 B 80.294 1 ATOM 2478 C CB . ALA 153 551 ? B -7.322 6.772 -18.199 1.000 2 B 80.294 1 ATOM 2479 N N . ILE 154 552 ? B -7.012 6.545 -21.434 1.000 2 B 82.644 1 ATOM 2480 C CA . ILE 154 552 ? B -7.356 7.149 -22.717 1.000 2 B 82.644 1 ATOM 2481 C C . ILE 154 552 ? B -7.734 6.057 -23.716 1.000 2 B 82.644 1 ATOM 2482 O O . ILE 154 552 ? B -8.606 6.259 -24.564 1.000 2 B 82.644 1 ATOM 2483 C CB . ILE 154 552 ? B -6.193 8.002 -23.270 1.000 2 B 82.644 1 ATOM 2484 C CG1 . ILE 154 552 ? B -5.891 9.170 -22.324 1.000 2 B 82.644 1 ATOM 2485 C CG2 . ILE 154 552 ? B -6.516 8.507 -24.679 1.000 2 B 82.644 1 ATOM 2486 C CD1 . ILE 154 552 ? B -4.587 9.895 -22.631 1.000 2 B 82.644 1 ATOM 2487 N N . SER 155 553 ? B -7.107 4.934 -23.575 1.000 2 B 72.822 1 ATOM 2488 C CA . SER 155 553 ? B -7.333 3.861 -24.538 1.000 2 B 72.822 1 ATOM 2489 C C . SER 155 553 ? B -8.691 3.202 -24.324 1.000 2 B 72.822 1 ATOM 2490 O O . SER 155 553 ? B -9.307 2.714 -25.274 1.000 2 B 72.822 1 ATOM 2491 C CB . SER 155 553 ? B -6.226 2.810 -24.440 1.000 2 B 72.822 1 ATOM 2492 O OG . SER 155 553 ? B -5.005 3.317 -24.950 1.000 2 B 72.822 1 ATOM 2493 N N . SER 156 554 ? B -9.279 3.322 -23.161 1.000 2 B 65.534 1 ATOM 2494 C CA . SER 156 554 ? B -10.545 2.653 -22.880 1.000 2 B 65.534 1 ATOM 2495 C C . SER 156 554 ? B -11.730 3.570 -23.168 1.000 2 B 65.534 1 ATOM 2496 O O . SER 156 554 ? B -12.869 3.109 -23.262 1.000 2 B 65.534 1 ATOM 2497 C CB . SER 156 554 ? B -10.593 2.185 -21.425 1.000 2 B 65.534 1 ATOM 2498 O OG . SER 156 554 ? B -9.549 1.265 -21.158 1.000 2 B 65.534 1 ATOM 2499 N N . GLY 157 555 ? B -11.568 4.898 -23.501 1.000 2 B 62.337 1 ATOM 2500 C CA . GLY 157 555 ? B -12.688 5.806 -23.693 1.000 2 B 62.337 1 ATOM 2501 C C . GLY 157 555 ? B -13.223 5.803 -25.112 1.000 2 B 62.337 1 ATOM 2502 O O . GLY 157 555 ? B -14.256 6.415 -25.394 1.000 2 B 62.337 1 ATOM 2503 N N . ILE 158 556 ? B -12.972 4.812 -25.974 1.000 2 B 57.137 1 ATOM 2504 C CA . ILE 158 556 ? B -13.598 4.884 -27.290 1.000 2 B 57.137 1 ATOM 2505 C C . ILE 158 556 ? B -14.608 3.748 -27.443 1.000 2 B 57.137 1 ATOM 2506 O O . ILE 158 556 ? B -14.329 2.607 -27.070 1.000 2 B 57.137 1 ATOM 2507 C CB . ILE 158 556 ? B -12.547 4.822 -28.420 1.000 2 B 57.137 1 ATOM 2508 C CG1 . ILE 158 556 ? B -12.596 6.101 -29.265 1.000 2 B 57.137 1 ATOM 2509 C CG2 . ILE 158 556 ? B -12.762 3.581 -29.291 1.000 2 B 57.137 1 ATOM 2510 C CD1 . ILE 158 556 ? B -11.350 6.968 -29.149 1.000 2 B 57.137 1 ATOM 2511 N N . GLU 159 557 ? B -15.669 3.577 -26.536 1.000 2 B 42.858 1 ATOM 2512 C CA . GLU 159 557 ? B -16.941 2.994 -26.950 1.000 2 B 42.858 1 ATOM 2513 C C . GLU 159 557 ? B -17.596 2.228 -25.804 1.000 2 B 42.858 1 ATOM 2514 O O . GLU 159 557 ? B -16.973 1.355 -25.197 1.000 2 B 42.858 1 ATOM 2515 C CB . GLU 159 557 ? B -16.742 2.069 -28.154 1.000 2 B 42.858 1 ATOM 2516 C CG . GLU 159 557 ? B -16.191 2.774 -29.386 1.000 2 B 42.858 1 ATOM 2517 C CD . GLU 159 557 ? B -16.767 2.242 -30.688 1.000 2 B 42.858 1 ATOM 2518 O OE1 . GLU 159 557 ? B -17.650 2.906 -31.278 1.000 2 B 42.858 1 ATOM 2519 O OE2 . GLU 159 557 ? B -16.333 1.152 -31.123 1.000 2 B 42.858 1 ATOM 2520 N N . ASP 160 558 ? B -18.216 2.875 -24.793 1.000 2 B 39.725 1 ATOM 2521 C CA . ASP 160 558 ? B -19.423 2.288 -24.219 1.000 2 B 39.725 1 ATOM 2522 C C . ASP 160 558 ? B -19.871 3.056 -22.978 1.000 2 B 39.725 1 ATOM 2523 O O . ASP 160 558 ? B -19.061 3.347 -22.095 1.000 2 B 39.725 1 ATOM 2524 C CB . ASP 160 558 ? B -19.191 0.816 -23.871 1.000 2 B 39.725 1 ATOM 2525 C CG . ASP 160 558 ? B -20.266 -0.101 -24.428 1.000 2 B 39.725 1 ATOM 2526 O OD1 . ASP 160 558 ? B -21.439 0.010 -24.010 1.000 2 B 39.725 1 ATOM 2527 O OD2 . ASP 160 558 ? B -19.936 -0.945 -25.289 1.000 2 B 39.725 1 ATOM 2528 N N . PRO 161 559 ? B -21.091 3.762 -22.995 1.000 2 B 41.086 1 ATOM 2529 C CA . PRO 161 559 ? B -21.677 4.433 -21.832 1.000 2 B 41.086 1 ATOM 2530 C C . PRO 161 559 ? B -22.045 3.461 -20.713 1.000 2 B 41.086 1 ATOM 2531 O O . PRO 161 559 ? B -22.606 2.394 -20.977 1.000 2 B 41.086 1 ATOM 2532 C CB . PRO 161 559 ? B -22.928 5.104 -22.405 1.000 2 B 41.086 1 ATOM 2533 C CG . PRO 161 559 ? B -23.305 4.266 -23.584 1.000 2 B 41.086 1 ATOM 2534 C CD . PRO 161 559 ? B -22.212 3.266 -23.827 1.000 2 B 41.086 1 ATOM 2535 N N . VAL 162 560 ? B -21.202 2.910 -19.832 1.000 2 B 41.156 1 ATOM 2536 C CA . VAL 162 560 ? B -21.566 2.221 -18.599 1.000 2 B 41.156 1 ATOM 2537 C C . VAL 162 560 ? B -21.852 3.242 -17.500 1.000 2 B 41.156 1 ATOM 2538 O O . VAL 162 560 ? B -21.127 4.229 -17.358 1.000 2 B 41.156 1 ATOM 2539 C CB . VAL 162 560 ? B -20.457 1.246 -18.145 1.000 2 B 41.156 1 ATOM 2540 C CG1 . VAL 162 560 ? B -20.997 0.252 -17.118 1.000 2 B 41.156 1 ATOM 2541 C CG2 . VAL 162 560 ? B -19.869 0.510 -19.348 1.000 2 B 41.156 1 ATOM 2542 N N . PRO 163 561 ? B -23.156 3.275 -16.864 1.000 2 B 44.859 1 ATOM 2543 C CA . PRO 163 561 ? B -23.822 4.087 -15.843 1.000 2 B 44.859 1 ATOM 2544 C C . PRO 163 561 ? B -23.047 4.133 -14.527 1.000 2 B 44.859 1 ATOM 2545 O O . PRO 163 561 ? B -22.480 3.122 -14.106 1.000 2 B 44.859 1 ATOM 2546 C CB . PRO 163 561 ? B -25.170 3.386 -15.658 1.000 2 B 44.859 1 ATOM 2547 C CG . PRO 163 561 ? B -25.050 2.116 -16.437 1.000 2 B 44.859 1 ATOM 2548 C CD . PRO 163 561 ? B -23.625 1.964 -16.885 1.000 2 B 44.859 1 ATOM 2549 N N . THR 164 562 ? B -22.270 5.205 -14.208 1.000 2 B 38.450 1 ATOM 2550 C CA . THR 164 562 ? B -21.961 5.987 -13.016 1.000 2 B 38.450 1 ATOM 2551 C C . THR 164 562 ? B -22.266 5.189 -11.752 1.000 2 B 38.450 1 ATOM 2552 O O . THR 164 562 ? B -23.350 4.617 -11.618 1.000 2 B 38.450 1 ATOM 2553 C CB . THR 164 562 ? B -22.750 7.309 -12.995 1.000 2 B 38.450 1 ATOM 2554 O OG1 . THR 164 562 ? B -23.788 7.255 -13.981 1.000 2 B 38.450 1 ATOM 2555 C CG2 . THR 164 562 ? B -21.841 8.497 -13.294 1.000 2 B 38.450 1 ATOM 2556 N N . LEU 165 563 ? B -21.402 4.285 -11.277 1.000 2 B 36.474 1 ATOM 2557 C CA . LEU 165 563 ? B -21.128 3.859 -9.909 1.000 2 B 36.474 1 ATOM 2558 C C . LEU 165 563 ? B -21.531 4.941 -8.912 1.000 2 B 36.474 1 ATOM 2559 O O . LEU 165 563 ? B -20.909 6.004 -8.857 1.000 2 B 36.474 1 ATOM 2560 C CB . LEU 165 563 ? B -19.644 3.521 -9.739 1.000 2 B 36.474 1 ATOM 2561 C CG . LEU 165 563 ? B -19.203 2.141 -10.229 1.000 2 B 36.474 1 ATOM 2562 C CD1 . LEU 165 563 ? B -17.875 1.750 -9.589 1.000 2 B 36.474 1 ATOM 2563 C CD2 . LEU 165 563 ? B -20.275 1.099 -9.927 1.000 2 B 36.474 1 ATOM 2564 N N . HIS 166 564 ? B -22.821 5.356 -8.745 1.000 2 B 33.862 1 ATOM 2565 C CA . HIS 166 564 ? B -23.482 6.050 -7.645 1.000 2 B 33.862 1 ATOM 2566 C C . HIS 166 564 ? B -23.140 5.410 -6.304 1.000 2 B 33.862 1 ATOM 2567 O O . HIS 166 564 ? B -23.424 4.230 -6.084 1.000 2 B 33.862 1 ATOM 2568 C CB . HIS 166 564 ? B -24.998 6.059 -7.851 1.000 2 B 33.862 1 ATOM 2569 C CG . HIS 166 564 ? B -25.701 7.136 -7.087 1.000 2 B 33.862 1 ATOM 2570 N ND1 . HIS 166 564 ? B -26.428 6.883 -5.944 1.000 2 B 33.862 1 ATOM 2571 C CD2 . HIS 166 564 ? B -25.784 8.469 -7.303 1.000 2 B 33.862 1 ATOM 2572 C CE1 . HIS 166 564 ? B -26.930 8.019 -5.489 1.000 2 B 33.862 1 ATOM 2573 N NE2 . HIS 166 564 ? B -26.554 8.997 -6.296 1.000 2 B 33.862 1 ATOM 2574 N N . LEU 167 565 ? B -21.929 5.481 -5.809 1.000 2 B 41.396 1 ATOM 2575 C CA . LEU 167 565 ? B -21.527 5.438 -4.408 1.000 2 B 41.396 1 ATOM 2576 C C . LEU 167 565 ? B -22.372 6.392 -3.570 1.000 2 B 41.396 1 ATOM 2577 O O . LEU 167 565 ? B -22.499 7.572 -3.904 1.000 2 B 41.396 1 ATOM 2578 C CB . LEU 167 565 ? B -20.044 5.792 -4.265 1.000 2 B 41.396 1 ATOM 2579 C CG . LEU 167 565 ? B -19.105 4.642 -3.897 1.000 2 B 41.396 1 ATOM 2580 C CD1 . LEU 167 565 ? B -18.432 4.086 -5.147 1.000 2 B 41.396 1 ATOM 2581 C CD2 . LEU 167 565 ? B -18.063 5.105 -2.884 1.000 2 B 41.396 1 ATOM 2582 N N . THR 168 566 ? B -23.654 6.110 -3.250 1.000 2 B 37.471 1 ATOM 2583 C CA . THR 168 566 ? B -24.423 6.194 -2.013 1.000 2 B 37.471 1 ATOM 2584 C C . THR 168 566 ? B -24.855 7.632 -1.742 1.000 2 B 37.471 1 ATOM 2585 O O . THR 168 566 ? B -24.029 8.478 -1.392 1.000 2 B 37.471 1 ATOM 2586 C CB . THR 168 566 ? B -23.615 5.663 -0.815 1.000 2 B 37.471 1 ATOM 2587 O OG1 . THR 168 566 ? B -22.873 4.506 -1.222 1.000 2 B 37.471 1 ATOM 2588 C CG2 . THR 168 566 ? B -24.532 5.283 0.342 1.000 2 B 37.471 1 ATOM 2589 N N . GLU 169 567 ? B -25.873 8.152 -2.401 1.000 2 B 32.052 1 ATOM 2590 C CA . GLU 169 567 ? B -26.776 9.135 -1.809 1.000 2 B 32.052 1 ATOM 2591 C C . GLU 169 567 ? B -28.038 8.469 -1.267 1.000 2 B 32.052 1 ATOM 2592 O O . GLU 169 567 ? B -28.790 7.847 -2.020 1.000 2 B 32.052 1 ATOM 2593 C CB . GLU 169 567 ? B -27.147 10.210 -2.834 1.000 2 B 32.052 1 ATOM 2594 C CG . GLU 169 567 ? B -27.760 11.460 -2.219 1.000 2 B 32.052 1 ATOM 2595 C CD . GLU 169 567 ? B -28.268 12.451 -3.254 1.000 2 B 32.052 1 ATOM 2596 O OE1 . GLU 169 567 ? B -29.487 12.460 -3.537 1.000 2 B 32.052 1 ATOM 2597 O OE2 . GLU 169 567 ? B -27.440 13.223 -3.786 1.000 2 B 32.052 1 ATOM 2598 N N . ARG 170 568 ? B -28.072 7.786 -0.179 1.000 2 B 37.313 1 ATOM 2599 C CA . ARG 170 568 ? B -29.102 7.483 0.810 1.000 2 B 37.313 1 ATOM 2600 C C . ARG 170 568 ? B -29.438 8.715 1.644 1.000 2 B 37.313 1 ATOM 2601 O O . ARG 170 568 ? B -28.562 9.288 2.295 1.000 2 B 37.313 1 ATOM 2602 C CB . ARG 170 568 ? B -28.653 6.339 1.721 1.000 2 B 37.313 1 ATOM 2603 C CG . ARG 170 568 ? B -29.560 5.120 1.673 1.000 2 B 37.313 1 ATOM 2604 C CD . ARG 170 568 ? B -29.253 4.143 2.799 1.000 2 B 37.313 1 ATOM 2605 N NE . ARG 170 568 ? B -30.262 3.091 2.890 1.000 2 B 37.313 1 ATOM 2606 C CZ . ARG 170 568 ? B -30.139 1.876 2.362 1.000 2 B 37.313 1 ATOM 2607 N NH1 . ARG 170 568 ? B -29.044 1.535 1.693 1.000 2 B 37.313 1 ATOM 2608 N NH2 . ARG 170 568 ? B -31.119 0.996 2.505 1.000 2 B 37.313 1 ATOM 2609 N N . ASP 171 569 ? B -30.317 9.658 1.125 1.000 2 B 35.556 1 ATOM 2610 C CA . ASP 171 569 ? B -31.230 10.386 2.001 1.000 2 B 35.556 1 ATOM 2611 C C . ASP 171 569 ? B -32.311 11.102 1.194 1.000 2 B 35.556 1 ATOM 2612 O O . ASP 171 569 ? B -32.010 11.793 0.219 1.000 2 B 35.556 1 ATOM 2613 C CB . ASP 171 569 ? B -30.462 11.393 2.860 1.000 2 B 35.556 1 ATOM 2614 C CG . ASP 171 569 ? B -30.632 11.152 4.350 1.000 2 B 35.556 1 ATOM 2615 O OD1 . ASP 171 569 ? B -31.711 11.463 4.899 1.000 2 B 35.556 1 ATOM 2616 O OD2 . ASP 171 569 ? B -29.678 10.649 4.981 1.000 2 B 35.556 1 ATOM 2617 N N . ILE 172 570 ? B -33.546 10.517 1.062 1.000 2 B 38.976 1 ATOM 2618 C CA . ILE 172 570 ? B -34.803 11.088 1.535 1.000 2 B 38.976 1 ATOM 2619 C C . ILE 172 570 ? B -35.930 10.726 0.571 1.000 2 B 38.976 1 ATOM 2620 O O . ILE 172 570 ? B -35.823 10.963 -0.635 1.000 2 B 38.976 1 ATOM 2621 C CB . ILE 172 570 ? B -34.703 12.622 1.692 1.000 2 B 38.976 1 ATOM 2622 C CG1 . ILE 172 570 ? B -33.654 12.984 2.751 1.000 2 B 38.976 1 ATOM 2623 C CG2 . ILE 172 570 ? B -36.068 13.219 2.047 1.000 2 B 38.976 1 ATOM 2624 C CD1 . ILE 172 570 ? B -33.272 14.457 2.765 1.000 2 B 38.976 1 ATOM 2625 N N . ILE 173 571 ? B -36.696 9.666 0.720 1.000 2 B 37.117 1 ATOM 2626 C CA . ILE 173 571 ? B -38.078 9.287 0.992 1.000 2 B 37.117 1 ATOM 2627 C C . ILE 173 571 ? B -38.977 10.519 0.907 1.000 2 B 37.117 1 ATOM 2628 O O . ILE 173 571 ? B -38.698 11.543 1.534 1.000 2 B 37.117 1 ATOM 2629 C CB . ILE 173 571 ? B -38.219 8.615 2.376 1.000 2 B 37.117 1 ATOM 2630 C CG1 . ILE 173 571 ? B -37.179 7.500 2.536 1.000 2 B 37.117 1 ATOM 2631 C CG2 . ILE 173 571 ? B -39.638 8.074 2.572 1.000 2 B 37.117 1 ATOM 2632 C CD1 . ILE 173 571 ? B -37.192 6.834 3.905 1.000 2 B 37.117 1 ATOM 2633 N N . LEU 174 572 ? B -39.767 10.784 -0.163 1.000 2 B 37.637 1 ATOM 2634 C CA . LEU 174 572 ? B -41.209 10.983 -0.263 1.000 2 B 37.637 1 ATOM 2635 C C . LEU 174 572 ? B -41.550 11.916 -1.420 1.000 2 B 37.637 1 ATOM 2636 O O . LEU 174 572 ? B -41.196 13.097 -1.396 1.000 2 B 37.637 1 ATOM 2637 C CB . LEU 174 572 ? B -41.763 11.551 1.046 1.000 2 B 37.637 1 ATOM 2638 C CG . LEU 174 572 ? B -42.688 10.633 1.847 1.000 2 B 37.637 1 ATOM 2639 C CD1 . LEU 174 572 ? B -41.872 9.728 2.764 1.000 2 B 37.637 1 ATOM 2640 C CD2 . LEU 174 572 ? B -43.691 11.452 2.651 1.000 2 B 37.637 1 ATOM 2641 N N . SER 175 573 ? B -41.833 11.495 -2.646 1.000 2 B 37.351 1 ATOM 2642 C CA . SER 175 573 ? B -42.957 12.065 -3.381 1.000 2 B 37.351 1 ATOM 2643 C C . SER 175 573 ? B -43.486 11.088 -4.426 1.000 2 B 37.351 1 ATOM 2644 O O . SER 175 573 ? B -42.713 10.513 -5.194 1.000 2 B 37.351 1 ATOM 2645 C CB . SER 175 573 ? B -42.547 13.374 -4.057 1.000 2 B 37.351 1 ATOM 2646 O OG . SER 175 573 ? B -42.282 14.377 -3.091 1.000 2 B 37.351 1 ATOM 2647 N N . SER 176 574 ? B -44.474 10.196 -4.133 1.000 2 B 31.468 1 ATOM 2648 C CA . SER 176 574 ? B -45.853 9.848 -4.463 1.000 2 B 31.468 1 ATOM 2649 C C . SER 176 574 ? B -46.370 10.682 -5.630 1.000 2 B 31.468 1 ATOM 2650 O O . SER 176 574 ? B -46.073 11.874 -5.728 1.000 2 B 31.468 1 ATOM 2651 C CB . SER 176 574 ? B -46.760 10.040 -3.247 1.000 2 B 31.468 1 ATOM 2652 O OG . SER 176 574 ? B -46.178 10.943 -2.323 1.000 2 B 31.468 1 ATOM 2653 N N . THR 177 575 ? B -46.846 10.063 -6.813 1.000 2 B 34.953 1 ATOM 2654 C CA . THR 177 575 ? B -48.168 9.924 -7.413 1.000 2 B 34.953 1 ATOM 2655 C C . THR 177 575 ? B -48.200 10.550 -8.805 1.000 2 B 34.953 1 ATOM 2656 O O . THR 177 575 ? B -47.612 11.610 -9.027 1.000 2 B 34.953 1 ATOM 2657 C CB . THR 177 575 ? B -49.253 10.572 -6.532 1.000 2 B 34.953 1 ATOM 2658 O OG1 . THR 177 575 ? B -48.630 11.449 -5.585 1.000 2 B 34.953 1 ATOM 2659 C CG2 . THR 177 575 ? B -50.052 9.514 -5.777 1.000 2 B 34.953 1 ATOM 2660 N N . SER 178 576 ? B -48.492 9.746 -9.916 1.000 2 B 36.709 1 ATOM 2661 C CA . SER 178 576 ? B -49.583 9.609 -10.875 1.000 2 B 36.709 1 ATOM 2662 C C . SER 178 576 ? B -49.212 10.214 -12.225 1.000 2 B 36.709 1 ATOM 2663 O O . SER 178 576 ? B -48.673 11.321 -12.288 1.000 2 B 36.709 1 ATOM 2664 C CB . SER 178 576 ? B -50.853 10.273 -10.341 1.000 2 B 36.709 1 ATOM 2665 O OG . SER 178 576 ? B -50.636 11.652 -10.099 1.000 2 B 36.709 1 ATOM 2666 N N . ALA 179 577 ? B -48.990 9.352 -13.261 1.000 2 B 33.681 1 ATOM 2667 C CA . ALA 179 577 ? B -49.693 9.162 -14.527 1.000 2 B 33.681 1 ATOM 2668 C C . ALA 179 577 ? B -49.166 10.116 -15.596 1.000 2 B 33.681 1 ATOM 2669 O O . ALA 179 577 ? B -48.906 11.288 -15.316 1.000 2 B 33.681 1 ATOM 2670 C CB . ALA 179 577 ? B -51.195 9.358 -14.337 1.000 2 B 33.681 1 ATOM 2671 N N . PRO 180 578 ? B -49.187 9.733 -16.914 1.000 2 B 39.406 1 ATOM 2672 C CA . PRO 180 578 ? B -48.733 10.095 -18.259 1.000 2 B 39.406 1 ATOM 2673 C C . PRO 180 578 ? B -49.671 11.081 -18.953 1.000 2 B 39.406 1 ATOM 2674 O O . PRO 180 578 ? B -50.797 11.292 -18.497 1.000 2 B 39.406 1 ATOM 2675 C CB . PRO 180 578 ? B -48.708 8.754 -18.996 1.000 2 B 39.406 1 ATOM 2676 C CG . PRO 180 578 ? B -49.851 7.981 -18.420 1.000 2 B 39.406 1 ATOM 2677 C CD . PRO 180 578 ? B -50.455 8.783 -17.304 1.000 2 B 39.406 1 ATOM 2678 N N . PRO 181 579 ? B -49.188 11.781 -20.092 1.000 2 B 37.208 1 ATOM 2679 C CA . PRO 181 579 ? B -49.240 11.599 -21.544 1.000 2 B 37.208 1 ATOM 2680 C C . PRO 181 579 ? B -48.101 12.312 -22.269 1.000 2 B 37.208 1 ATOM 2681 O O . PRO 181 579 ? B -47.372 13.098 -21.659 1.000 2 B 37.208 1 ATOM 2682 C CB . PRO 181 579 ? B -50.593 12.202 -21.927 1.000 2 B 37.208 1 ATOM 2683 C CG . PRO 181 579 ? B -50.777 13.353 -20.992 1.000 2 B 37.208 1 ATOM 2684 C CD . PRO 181 579 ? B -49.648 13.347 -20.001 1.000 2 B 37.208 1 ATOM 2685 N N . ALA 182 580 ? B -47.506 11.682 -23.358 1.000 2 B 35.415 1 ATOM 2686 C CA . ALA 182 580 ? B -47.708 11.919 -24.785 1.000 2 B 35.415 1 ATOM 2687 C C . ALA 182 580 ? B -46.932 13.147 -25.253 1.000 2 B 35.415 1 ATOM 2688 O O . ALA 182 580 ? B -46.938 14.184 -24.585 1.000 2 B 35.415 1 ATOM 2689 C CB . ALA 182 580 ? B -49.195 12.084 -25.091 1.000 2 B 35.415 1 ATOM 2690 N N . SER 183 581 ? B -45.937 13.027 -26.156 1.000 2 B 35.183 1 ATOM 2691 C CA . SER 183 581 ? B -45.698 13.525 -27.507 1.000 2 B 35.183 1 ATOM 2692 C C . SER 183 581 ? B -44.709 14.686 -27.500 1.000 2 B 35.183 1 ATOM 2693 O O . SER 183 581 ? B -44.758 15.545 -26.618 1.000 2 B 35.183 1 ATOM 2694 C CB . SER 183 581 ? B -47.010 13.966 -28.156 1.000 2 B 35.183 1 ATOM 2695 O OG . SER 183 581 ? B -47.764 14.775 -27.270 1.000 2 B 35.183 1 ATOM 2696 N N . ALA 184 582 ? B -43.449 14.528 -28.117 1.000 2 B 38.485 1 ATOM 2697 C CA . ALA 184 582 ? B -42.912 15.330 -29.213 1.000 2 B 38.485 1 ATOM 2698 C C . ALA 184 582 ? B -41.482 15.776 -28.917 1.000 2 B 38.485 1 ATOM 2699 O O . ALA 184 582 ? B -41.213 16.362 -27.866 1.000 2 B 38.485 1 ATOM 2700 C CB . ALA 184 582 ? B -43.801 16.543 -29.470 1.000 2 B 38.485 1 ATOM 2701 N N . GLN 185 583 ? B -40.460 15.118 -29.416 1.000 2 B 28.257 1 ATOM 2702 C CA . GLN 185 583 ? B -39.345 15.551 -30.252 1.000 2 B 28.257 1 ATOM 2703 C C . GLN 185 583 ? B -39.121 17.056 -30.133 1.000 2 B 28.257 1 ATOM 2704 O O . GLN 185 583 ? B -40.066 17.840 -30.239 1.000 2 B 28.257 1 ATOM 2705 C CB . GLN 185 583 ? B -39.590 15.171 -31.714 1.000 2 B 28.257 1 ATOM 2706 C CG . GLN 185 583 ? B -38.615 14.132 -32.250 1.000 2 B 28.257 1 ATOM 2707 C CD . GLN 185 583 ? B -38.666 14.004 -33.761 1.000 2 B 28.257 1 ATOM 2708 O OE1 . GLN 185 583 ? B -39.680 14.322 -34.390 1.000 2 B 28.257 1 ATOM 2709 N NE2 . GLN 185 583 ? B -37.573 13.535 -34.354 1.000 2 B 28.257 1 ATOM 2710 N N . PRO 186 584 ? B -37.775 17.542 -30.045 1.000 2 B 40.646 1 ATOM 2711 C CA . PRO 186 584 ? B -36.691 17.822 -30.990 1.000 2 B 40.646 1 ATOM 2712 C C . PRO 186 584 ? B -35.313 17.491 -30.422 1.000 2 B 40.646 1 ATOM 2713 O O . PRO 186 584 ? B -35.138 17.451 -29.201 1.000 2 B 40.646 1 ATOM 2714 C CB . PRO 186 584 ? B -36.828 19.325 -31.249 1.000 2 B 40.646 1 ATOM 2715 C CG . PRO 186 584 ? B -37.437 19.874 -29.999 1.000 2 B 40.646 1 ATOM 2716 C CD . PRO 186 584 ? B -37.702 18.734 -29.057 1.000 2 B 40.646 1 ATOM 2717 N N . PRO 187 585 ? B -34.376 16.971 -31.301 1.000 2 B 41.602 1 ATOM 2718 C CA . PRO 187 585 ? B -33.005 16.457 -31.300 1.000 2 B 41.602 1 ATOM 2719 C C . PRO 187 585 ? B -31.981 17.509 -30.878 1.000 2 B 41.602 1 ATOM 2720 O O . PRO 187 585 ? B -32.148 18.694 -31.180 1.000 2 B 41.602 1 ATOM 2721 C CB . PRO 187 585 ? B -32.786 16.035 -32.755 1.000 2 B 41.602 1 ATOM 2722 C CG . PRO 187 585 ? B -33.629 16.973 -33.556 1.000 2 B 41.602 1 ATOM 2723 C CD . PRO 187 585 ? B -34.426 17.825 -32.610 1.000 2 B 41.602 1 ATOM 2724 N N . LEU 188 586 ? B -31.461 17.522 -29.683 1.000 2 B 40.091 1 ATOM 2725 C CA . LEU 188 586 ? B -30.355 18.256 -29.077 1.000 2 B 40.091 1 ATOM 2726 C C . LEU 188 586 ? B -29.013 17.705 -29.549 1.000 2 B 40.091 1 ATOM 2727 O O . LEU 188 586 ? B -28.776 16.497 -29.483 1.000 2 B 40.091 1 ATOM 2728 C CB . LEU 188 586 ? B -30.439 18.186 -27.550 1.000 2 B 40.091 1 ATOM 2729 C CG . LEU 188 586 ? B -31.586 18.961 -26.898 1.000 2 B 40.091 1 ATOM 2730 C CD1 . LEU 188 586 ? B -31.525 18.820 -25.381 1.000 2 B 40.091 1 ATOM 2731 C CD2 . LEU 188 586 ? B -31.540 20.429 -27.307 1.000 2 B 40.091 1 ATOM 2732 N N . GLN 189 587 ? B -28.444 18.151 -30.679 1.000 2 B 37.803 1 ATOM 2733 C CA . GLN 189 587 ? B -27.188 18.663 -31.216 1.000 2 B 37.803 1 ATOM 2734 C C . GLN 189 587 ? B -26.071 18.580 -30.180 1.000 2 B 37.803 1 ATOM 2735 O O . GLN 189 587 ? B -26.166 19.183 -29.108 1.000 2 B 37.803 1 ATOM 2736 C CB . GLN 189 587 ? B -27.356 20.107 -31.692 1.000 2 B 37.803 1 ATOM 2737 C CG . GLN 189 587 ? B -28.086 20.235 -33.022 1.000 2 B 37.803 1 ATOM 2738 C CD . GLN 189 587 ? B -28.077 21.653 -33.563 1.000 2 B 37.803 1 ATOM 2739 O OE1 . GLN 189 587 ? B -28.218 22.620 -32.808 1.000 2 B 37.803 1 ATOM 2740 N NE2 . GLN 189 587 ? B -27.913 21.786 -34.874 1.000 2 B 37.803 1 ATOM 2741 N N . LEU 190 588 ? B -25.458 17.456 -29.944 1.000 2 B 44.409 1 ATOM 2742 C CA . LEU 190 588 ? B -24.231 17.195 -29.200 1.000 2 B 44.409 1 ATOM 2743 C C . LEU 190 588 ? B -23.034 17.852 -29.878 1.000 2 B 44.409 1 ATOM 2744 O O . LEU 190 588 ? B -22.799 17.644 -31.071 1.000 2 B 44.409 1 ATOM 2745 C CB . LEU 190 588 ? B -23.994 15.688 -29.069 1.000 2 B 44.409 1 ATOM 2746 C CG . LEU 190 588 ? B -25.016 14.911 -28.236 1.000 2 B 44.409 1 ATOM 2747 C CD1 . LEU 190 588 ? B -24.728 13.415 -28.306 1.000 2 B 44.409 1 ATOM 2748 C CD2 . LEU 190 588 ? B -25.007 15.396 -26.790 1.000 2 B 44.409 1 ATOM 2749 N N . SER 191 589 ? B -22.731 19.131 -29.788 1.000 2 B 43.042 1 ATOM 2750 C CA . SER 191 589 ? B -21.546 19.980 -29.853 1.000 2 B 43.042 1 ATOM 2751 C C . SER 191 589 ? B -20.288 19.203 -29.482 1.000 2 B 43.042 1 ATOM 2752 O O . SER 191 589 ? B -20.240 18.550 -28.438 1.000 2 B 43.042 1 ATOM 2753 C CB . SER 191 589 ? B -21.700 21.188 -28.928 1.000 2 B 43.042 1 ATOM 2754 O OG . SER 191 589 ? B -23.056 21.595 -28.853 1.000 2 B 43.042 1 ATOM 2755 N N . GLU 192 590 ? B -19.735 18.360 -30.348 1.000 2 B 48.548 1 ATOM 2756 C CA . GLU 192 590 ? B -18.384 17.882 -30.629 1.000 2 B 48.548 1 ATOM 2757 C C . GLU 192 590 ? B -17.333 18.823 -30.049 1.000 2 B 48.548 1 ATOM 2758 O O . GLU 192 590 ? B -17.347 20.024 -30.327 1.000 2 B 48.548 1 ATOM 2759 C CB . GLU 192 590 ? B -18.173 17.722 -32.137 1.000 2 B 48.548 1 ATOM 2760 C CG . GLU 192 590 ? B -16.973 16.861 -32.502 1.000 2 B 48.548 1 ATOM 2761 C CD . GLU 192 590 ? B -16.763 16.730 -34.003 1.000 2 B 48.548 1 ATOM 2762 O OE1 . GLU 192 590 ? B -15.746 17.245 -34.521 1.000 2 B 48.548 1 ATOM 2763 O OE2 . GLU 192 590 ? B -17.623 16.108 -34.665 1.000 2 B 48.548 1 ATOM 2764 N N . VAL 193 591 ? B -16.927 18.770 -28.805 1.000 2 B 59.826 1 ATOM 2765 C CA . VAL 193 591 ? B -15.819 19.371 -28.069 1.000 2 B 59.826 1 ATOM 2766 C C . VAL 193 591 ? B -14.494 18.979 -28.718 1.000 2 B 59.826 1 ATOM 2767 O O . VAL 193 591 ? B -14.233 17.795 -28.944 1.000 2 B 59.826 1 ATOM 2768 C CB . VAL 193 591 ? B -15.831 18.950 -26.583 1.000 2 B 59.826 1 ATOM 2769 C CG1 . VAL 193 591 ? B -14.588 19.472 -25.864 1.000 2 B 59.826 1 ATOM 2770 C CG2 . VAL 193 591 ? B -17.100 19.452 -25.896 1.000 2 B 59.826 1 ATOM 2771 N N . ASN 194 592 ? B -13.886 19.673 -29.723 1.000 2 B 54.352 1 ATOM 2772 C CA . ASN 194 592 ? B -12.614 19.766 -30.431 1.000 2 B 54.352 1 ATOM 2773 C C . ASN 194 592 ? B -11.465 20.087 -29.479 1.000 2 B 54.352 1 ATOM 2774 O O . ASN 194 592 ? B -11.453 21.145 -28.847 1.000 2 B 54.352 1 ATOM 2775 C CB . ASN 194 592 ? B -12.692 20.816 -31.541 1.000 2 B 54.352 1 ATOM 2776 C CG . ASN 194 592 ? B -11.556 20.698 -32.538 1.000 2 B 54.352 1 ATOM 2777 O OD1 . ASN 194 592 ? B -11.164 19.593 -32.924 1.000 2 B 54.352 1 ATOM 2778 N ND2 . ASN 194 592 ? B -11.019 21.836 -32.962 1.000 2 B 54.352 1 ATOM 2779 N N . ILE 195 593 ? B -10.926 19.101 -28.800 1.000 2 B 66.283 1 ATOM 2780 C CA . ILE 195 593 ? B -9.716 19.347 -28.022 1.000 2 B 66.283 1 ATOM 2781 C C . ILE 195 593 ? B -8.499 19.338 -28.943 1.000 2 B 66.283 1 ATOM 2782 O O . ILE 195 593 ? B -8.248 18.353 -29.642 1.000 2 B 66.283 1 ATOM 2783 C CB . ILE 195 593 ? B -9.545 18.301 -26.898 1.000 2 B 66.283 1 ATOM 2784 C CG1 . ILE 195 593 ? B -10.825 18.203 -26.060 1.000 2 B 66.283 1 ATOM 2785 C CG2 . ILE 195 593 ? B -8.340 18.647 -26.018 1.000 2 B 66.283 1 ATOM 2786 C CD1 . ILE 195 593 ? B -10.960 16.899 -25.286 1.000 2 B 66.283 1 ATOM 2787 N N . PRO 196 594 ? B -7.818 20.533 -29.181 1.000 2 B 53.587 1 ATOM 2788 C CA . PRO 196 594 ? B -6.622 20.740 -30.000 1.000 2 B 53.587 1 ATOM 2789 C C . PRO 196 594 ? B -5.422 19.935 -29.507 1.000 2 B 53.587 1 ATOM 2790 O O . PRO 196 594 ? B -5.183 19.853 -28.299 1.000 2 B 53.587 1 ATOM 2791 C CB . PRO 196 594 ? B -6.361 22.243 -29.870 1.000 2 B 53.587 1 ATOM 2792 C CG . PRO 196 594 ? B -7.331 22.711 -28.833 1.000 2 B 53.587 1 ATOM 2793 C CD . PRO 196 594 ? B -8.227 21.563 -28.467 1.000 2 B 53.587 1 ATOM 2794 N N . LEU 197 595 ? B -4.959 19.050 -30.423 1.000 2 B 59.834 1 ATOM 2795 C CA . LEU 197 595 ? B -3.831 18.129 -30.513 1.000 2 B 59.834 1 ATOM 2796 C C . LEU 197 595 ? B -2.540 18.805 -30.065 1.000 2 B 59.834 1 ATOM 2797 O O . LEU 197 595 ? B -1.563 18.130 -29.733 1.000 2 B 59.834 1 ATOM 2798 C CB . LEU 197 595 ? B -3.678 17.608 -31.945 1.000 2 B 59.834 1 ATOM 2799 C CG . LEU 197 595 ? B -3.477 16.100 -32.099 1.000 2 B 59.834 1 ATOM 2800 C CD1 . LEU 197 595 ? B -4.763 15.355 -31.757 1.000 2 B 59.834 1 ATOM 2801 C CD2 . LEU 197 595 ? B -3.019 15.763 -33.514 1.000 2 B 59.834 1 ATOM 2802 N N . SER 198 596 ? B -2.563 20.079 -29.644 1.000 2 B 64.722 1 ATOM 2803 C CA . SER 198 596 ? B -1.325 20.680 -29.159 1.000 2 B 64.722 1 ATOM 2804 C C . SER 198 596 ? B -1.137 20.432 -27.667 1.000 2 B 64.722 1 ATOM 2805 O O . SER 198 596 ? B -0.019 20.519 -27.153 1.000 2 B 64.722 1 ATOM 2806 C CB . SER 198 596 ? B -1.313 22.183 -29.440 1.000 2 B 64.722 1 ATOM 2807 O OG . SER 198 596 ? B -2.609 22.735 -29.281 1.000 2 B 64.722 1 ATOM 2808 N N . LEU 199 597 ? B -2.170 19.844 -27.040 1.000 2 B 51.374 1 ATOM 2809 C CA . LEU 199 597 ? B -2.028 19.617 -25.606 1.000 2 B 51.374 1 ATOM 2810 C C . LEU 199 597 ? B -1.764 18.143 -25.313 1.000 2 B 51.374 1 ATOM 2811 O O . LEU 199 597 ? B -1.532 17.767 -24.162 1.000 2 B 51.374 1 ATOM 2812 C CB . LEU 199 597 ? B -3.284 20.080 -24.863 1.000 2 B 51.374 1 ATOM 2813 C CG . LEU 199 597 ? B -3.290 21.531 -24.382 1.000 2 B 51.374 1 ATOM 2814 C CD1 . LEU 199 597 ? B -4.681 22.136 -24.540 1.000 2 B 51.374 1 ATOM 2815 C CD2 . LEU 199 597 ? B -2.826 21.616 -22.931 1.000 2 B 51.374 1 ATOM 2816 N N . GLY 200 598 ? B -1.476 17.251 -26.331 1.000 2 B 47.915 1 ATOM 2817 C CA . GLY 200 598 ? B -1.018 15.909 -26.010 1.000 2 B 47.915 1 ATOM 2818 C C . GLY 200 598 ? B 0.476 15.833 -25.755 1.000 2 B 47.915 1 ATOM 2819 O O . GLY 200 598 ? B 0.919 15.142 -24.835 1.000 2 B 47.915 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-t3vr3-001 https://modelarchive.org/api/projects/ma-t3vr3-001?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-t3vr3-001_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' . 2 1 A5YKK6-D4_O75175-D3.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 66.697 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 SER 2 70.216 2 1 A 2 GLN 2 77.528 3 1 A 3 VAL 2 76.172 4 1 A 4 TRP 2 75.838 5 1 A 5 PRO 2 75.645 6 1 A 6 GLU 2 70.498 7 1 A 7 ALA 2 65.498 8 1 A 8 ASN 2 68.898 9 1 A 9 GLN 2 75.120 10 1 A 10 HIS 2 82.670 11 1 A 11 PHE 2 88.631 12 1 A 12 SER 2 93.368 13 1 A 13 LYS 2 94.131 14 1 A 14 GLU 2 95.876 15 1 A 15 ILE 2 96.261 16 1 A 16 ASP 2 94.310 17 1 A 17 ASP 2 95.113 18 1 A 18 GLU 2 95.636 19 1 A 19 ALA 2 95.309 20 1 A 20 ASN 2 94.051 21 1 A 21 SER 2 94.833 22 1 A 22 TYR 2 95.170 23 1 A 23 PHE 2 94.078 24 1 A 24 GLN 2 93.146 25 1 A 25 ARG 2 92.596 26 1 A 26 ILE 2 92.700 27 1 A 27 TYR 2 92.655 28 1 A 28 ASN 2 87.249 29 1 A 29 HIS 2 72.541 30 1 A 30 PRO 2 63.272 31 1 A 31 PRO 2 68.591 32 1 A 32 HIS 2 62.708 33 1 A 33 PRO 2 65.994 34 1 A 34 THR 2 82.149 35 1 A 35 MET 2 89.961 36 1 A 36 SER 2 93.473 37 1 A 37 VAL 2 95.652 38 1 A 38 ASP 2 96.769 39 1 A 39 GLU 2 96.659 40 1 A 40 VAL 2 96.484 41 1 A 41 LEU 2 97.894 42 1 A 42 GLU 2 97.791 43 1 A 43 MET 2 97.462 44 1 A 44 LEU 2 97.964 45 1 A 45 GLN 2 97.868 46 1 A 46 ARG 2 97.839 47 1 A 47 PHE 2 97.876 48 1 A 48 LYS 2 96.049 49 1 A 49 ASP 2 95.229 50 1 A 50 SER 2 97.342 51 1 A 51 THR 2 97.117 52 1 A 52 ILE 2 97.696 53 1 A 53 LYS 2 95.133 54 1 A 54 ARG 2 95.467 55 1 A 55 GLU 2 97.266 56 1 A 56 ARG 2 96.127 57 1 A 57 GLU 2 95.470 58 1 A 58 VAL 2 96.477 59 1 A 59 PHE 2 97.149 60 1 A 60 ASN 2 95.357 61 1 A 61 CYS 2 95.311 62 1 A 62 MET 2 96.151 63 1 A 63 LEU 2 95.779 64 1 A 64 ARG 2 93.058 65 1 A 65 ASN 2 94.393 66 1 A 66 LEU 2 95.469 67 1 A 67 PHE 2 95.178 68 1 A 68 GLU 2 93.823 69 1 A 69 GLU 2 94.027 70 1 A 70 TYR 2 95.953 71 1 A 71 ARG 2 94.882 72 1 A 72 PHE 2 96.099 73 1 A 73 PHE 2 96.749 74 1 A 74 PRO 2 96.720 75 1 A 75 GLN 2 96.402 76 1 A 76 TYR 2 96.113 77 1 A 77 PRO 2 95.948 78 1 A 78 ASP 2 95.796 79 1 A 79 LYS 2 93.833 80 1 A 80 GLU 2 95.151 81 1 A 81 LEU 2 97.673 82 1 A 82 HIS 2 97.663 83 1 A 83 ILE 2 96.915 84 1 A 84 THR 2 97.465 85 1 A 85 ALA 2 98.384 86 1 A 86 CYS 2 98.269 87 1 A 87 LEU 2 98.146 88 1 A 88 PHE 2 98.307 89 1 A 89 GLY 2 98.437 90 1 A 90 GLY 2 98.393 91 1 A 91 ILE 2 98.348 92 1 A 92 ILE 2 98.330 93 1 A 93 GLU 2 98.126 94 1 A 94 LYS 2 97.785 95 1 A 95 GLY 2 97.220 96 1 A 96 LEU 2 97.440 97 1 A 97 VAL 2 96.319 98 1 A 98 THR 2 94.120 99 1 A 99 TYR 2 93.275 100 1 A 100 MET 2 94.146 101 1 A 101 ALA 2 94.959 102 1 A 102 LEU 2 97.246 103 1 A 103 GLY 2 97.448 104 1 A 104 LEU 2 97.001 105 1 A 105 ALA 2 98.079 106 1 A 106 LEU 2 98.445 107 1 A 107 ARG 2 97.949 108 1 A 108 TYR 2 98.429 109 1 A 109 VAL 2 98.609 110 1 A 110 LEU 2 98.469 111 1 A 111 GLU 2 98.230 112 1 A 112 ALA 2 98.459 113 1 A 113 LEU 2 98.578 114 1 A 114 ARG 2 98.235 115 1 A 115 LYS 2 98.068 116 1 A 116 PRO 2 97.963 117 1 A 117 PHE 2 97.997 118 1 A 118 GLY 2 97.401 119 1 A 119 SER 2 98.214 120 1 A 120 LYS 2 97.865 121 1 A 121 MET 2 98.270 122 1 A 122 TYR 2 98.468 123 1 A 123 TYR 2 98.358 124 1 A 124 PHE 2 98.614 125 1 A 125 GLY 2 98.590 126 1 A 126 ILE 2 98.627 127 1 A 127 ALA 2 98.625 128 1 A 128 ALA 2 98.720 129 1 A 129 LEU 2 98.678 130 1 A 130 ASP 2 98.501 131 1 A 131 ARG 2 98.462 132 1 A 132 PHE 2 98.427 133 1 A 133 LYS 2 97.837 134 1 A 134 ASN 2 97.432 135 1 A 135 ARG 2 97.450 136 1 A 136 LEU 2 97.964 137 1 A 137 LYS 2 97.612 138 1 A 138 ASP 2 97.485 139 1 A 139 TYR 2 97.589 140 1 A 140 PRO 2 97.844 141 1 A 141 GLN 2 97.990 142 1 A 142 TYR 2 98.248 143 1 A 143 CYS 2 98.430 144 1 A 144 GLN 2 98.142 145 1 A 145 HIS 2 98.289 146 1 A 146 LEU 2 98.375 147 1 A 147 ALA 2 97.916 148 1 A 148 SER 2 98.103 149 1 A 149 ILE 2 98.009 150 1 A 150 SER 2 97.269 151 1 A 151 HIS 2 97.536 152 1 A 152 PHE 2 97.793 153 1 A 153 MET 2 97.003 154 1 A 154 GLN 2 97.596 155 1 A 155 PHE 2 98.161 156 1 A 156 PRO 2 97.897 157 1 A 157 HIS 2 97.093 158 1 A 158 HIS 2 97.020 159 1 A 159 LEU 2 98.187 160 1 A 160 GLN 2 98.090 161 1 A 161 GLU 2 97.236 162 1 A 162 TYR 2 97.984 163 1 A 163 ILE 2 98.153 164 1 A 164 GLU 2 97.595 165 1 A 165 TYR 2 97.435 166 1 A 166 GLY 2 97.765 167 1 A 167 GLN 2 97.422 168 1 A 168 GLN 2 97.463 169 1 A 169 SER 2 97.199 170 1 A 170 ARG 2 96.537 171 1 A 171 ASP 2 93.422 172 1 A 172 PRO 2 92.387 173 1 A 173 PRO 2 89.296 174 1 A 174 VAL 2 81.107 175 1 A 175 LYS 2 74.986 176 1 A 176 MET 2 66.345 177 1 A 177 GLN 2 46.529 178 1 B 1 GLY 2 35.571 179 1 B 2 GLY 2 42.684 180 1 B 3 GLY 2 31.061 181 1 B 4 GLY 2 42.651 182 1 B 5 SER 2 38.153 183 1 B 6 GLY 2 32.889 184 1 B 7 GLY 2 38.371 185 1 B 8 GLY 2 31.027 186 1 B 9 GLY 2 35.776 187 1 B 10 SER 2 31.155 188 1 B 11 SER 2 38.784 189 1 B 12 SER 2 33.547 190 1 B 13 SER 2 39.825 191 1 B 14 SER 2 34.478 192 1 B 15 ASN 2 40.586 193 1 B 16 SER 2 32.871 194 1 B 17 SER 2 37.114 195 1 B 18 ALA 2 34.250 196 1 B 19 GLY 2 34.641 197 1 B 20 GLY 2 30.341 198 1 B 21 GLY 2 35.677 199 1 B 22 ALA 2 33.305 200 1 B 23 GLY 2 35.584 201 1 B 24 LYS 2 36.734 202 1 B 25 GLN 2 36.431 203 1 B 26 ASN 2 35.981 204 1 B 27 GLY 2 36.328 205 1 B 28 ALA 2 43.843 206 1 B 29 THR 2 42.593 207 1 B 30 SER 2 39.978 208 1 B 31 TYR 2 43.440 209 1 B 32 SER 2 38.935 210 1 B 33 SER 2 34.242 211 1 B 34 VAL 2 51.458 212 1 B 35 VAL 2 37.837 213 1 B 36 ALA 2 47.039 214 1 B 37 ASP 2 38.953 215 1 B 38 SER 2 33.844 216 1 B 39 PRO 2 44.421 217 1 B 40 ALA 2 36.370 218 1 B 41 GLU 2 34.695 219 1 B 42 VAL 2 42.272 220 1 B 43 ALA 2 34.288 221 1 B 44 LEU 2 43.512 222 1 B 45 SER 2 34.341 223 1 B 46 SER 2 32.951 224 1 B 47 SER 2 39.559 225 1 B 48 GLY 2 31.329 226 1 B 49 GLY 2 34.770 227 1 B 50 ASN 2 34.029 228 1 B 51 ASN 2 42.385 229 1 B 52 ALA 2 36.257 230 1 B 53 SER 2 31.969 231 1 B 54 SER 2 40.219 232 1 B 55 GLN 2 32.424 233 1 B 56 ALA 2 32.184 234 1 B 57 LEU 2 37.208 235 1 B 58 GLY 2 34.208 236 1 B 59 PRO 2 36.733 237 1 B 60 PRO 2 47.932 238 1 B 61 SER 2 44.726 239 1 B 62 GLY 2 42.210 240 1 B 63 PRO 2 35.250 241 1 B 64 HIS 2 48.913 242 1 B 65 ASN 2 35.683 243 1 B 66 PRO 2 48.160 244 1 B 67 PRO 2 47.967 245 1 B 68 PRO 2 45.026 246 1 B 69 SER 2 49.913 247 1 B 70 THR 2 39.756 248 1 B 71 SER 2 51.058 249 1 B 72 LYS 2 41.786 250 1 B 73 GLU 2 30.824 251 1 B 74 PRO 2 40.247 252 1 B 75 SER 2 34.734 253 1 B 76 ALA 2 35.382 254 1 B 77 ALA 2 43.327 255 1 B 78 ALA 2 31.215 256 1 B 79 PRO 2 40.347 257 1 B 80 THR 2 33.929 258 1 B 81 GLY 2 38.602 259 1 B 82 ALA 2 35.978 260 1 B 83 GLY 2 30.934 261 1 B 84 GLY 2 36.749 262 1 B 85 VAL 2 35.728 263 1 B 86 ALA 2 37.994 264 1 B 87 PRO 2 44.237 265 1 B 88 GLY 2 40.480 266 1 B 89 SER 2 34.044 267 1 B 90 GLY 2 40.674 268 1 B 91 ASN 2 35.895 269 1 B 92 ASN 2 44.363 270 1 B 93 SER 2 35.570 271 1 B 94 GLY 2 39.627 272 1 B 95 GLY 2 37.715 273 1 B 96 PRO 2 46.925 274 1 B 97 SER 2 47.621 275 1 B 98 LEU 2 40.284 276 1 B 99 LEU 2 34.127 277 1 B 100 VAL 2 44.906 278 1 B 101 PRO 2 41.287 279 1 B 102 LEU 2 45.633 280 1 B 103 PRO 2 44.808 281 1 B 104 VAL 2 47.920 282 1 B 105 ASN 2 54.130 283 1 B 106 PRO 2 49.171 284 1 B 107 PRO 2 60.318 285 1 B 108 SER 2 41.882 286 1 B 109 SER 2 37.019 287 1 B 110 PRO 2 49.584 288 1 B 111 THR 2 42.066 289 1 B 112 PRO 2 56.680 290 1 B 113 SER 2 40.533 291 1 B 114 PHE 2 40.371 292 1 B 115 SER 2 42.097 293 1 B 116 ASP 2 34.873 294 1 B 117 ALA 2 41.853 295 1 B 118 LYS 2 34.181 296 1 B 119 ALA 2 32.441 297 1 B 120 ALA 2 35.118 298 1 B 121 GLY 2 35.766 299 1 B 122 ALA 2 34.289 300 1 B 123 LEU 2 32.673 301 1 B 124 LEU 2 47.684 302 1 B 125 ASN 2 33.803 303 1 B 126 GLY 2 34.522 304 1 B 127 PRO 2 45.854 305 1 B 128 PRO 2 39.142 306 1 B 129 GLN 2 32.092 307 1 B 130 PHE 2 38.136 308 1 B 131 SER 2 35.062 309 1 B 132 THR 2 34.835 310 1 B 133 ALA 2 36.599 311 1 B 134 PRO 2 42.111 312 1 B 135 GLU 2 35.420 313 1 B 136 ILE 2 44.062 314 1 B 137 LYS 2 38.274 315 1 B 138 ALA 2 42.582 316 1 B 139 PRO 2 42.362 317 1 B 140 GLU 2 44.575 318 1 B 141 PRO 2 48.173 319 1 B 142 LEU 2 40.642 320 1 B 143 SER 2 56.290 321 1 B 144 SER 2 74.190 322 1 B 145 LEU 2 81.042 323 1 B 146 LYS 2 85.279 324 1 B 147 SER 2 86.351 325 1 B 148 MET 2 84.928 326 1 B 149 ALA 2 84.810 327 1 B 150 GLU 2 87.182 328 1 B 151 ARG 2 85.647 329 1 B 152 ALA 2 81.582 330 1 B 153 ALA 2 80.294 331 1 B 154 ILE 2 82.644 332 1 B 155 SER 2 72.822 333 1 B 156 SER 2 65.534 334 1 B 157 GLY 2 62.337 335 1 B 158 ILE 2 57.137 336 1 B 159 GLU 2 42.858 337 1 B 160 ASP 2 39.725 338 1 B 161 PRO 2 41.086 339 1 B 162 VAL 2 41.156 340 1 B 163 PRO 2 44.859 341 1 B 164 THR 2 38.450 342 1 B 165 LEU 2 36.474 343 1 B 166 HIS 2 33.862 344 1 B 167 LEU 2 41.396 345 1 B 168 THR 2 37.471 346 1 B 169 GLU 2 32.052 347 1 B 170 ARG 2 37.313 348 1 B 171 ASP 2 35.556 349 1 B 172 ILE 2 38.976 350 1 B 173 ILE 2 37.117 351 1 B 174 LEU 2 37.637 352 1 B 175 SER 2 37.351 353 1 B 176 SER 2 31.468 354 1 B 177 THR 2 34.953 355 1 B 178 SER 2 36.709 356 1 B 179 ALA 2 33.681 357 1 B 180 PRO 2 39.406 358 1 B 181 PRO 2 37.208 359 1 B 182 ALA 2 35.415 360 1 B 183 SER 2 35.183 361 1 B 184 ALA 2 38.485 362 1 B 185 GLN 2 28.257 363 1 B 186 PRO 2 40.646 364 1 B 187 PRO 2 41.602 365 1 B 188 LEU 2 40.091 366 1 B 189 GLN 2 37.803 367 1 B 190 LEU 2 44.409 368 1 B 191 SER 2 43.042 369 1 B 192 GLU 2 48.548 370 1 B 193 VAL 2 59.826 371 1 B 194 ASN 2 54.352 372 1 B 195 ILE 2 66.283 373 1 B 196 PRO 2 53.587 374 1 B 197 LEU 2 59.834 375 1 B 198 SER 2 64.722 376 1 B 199 LEU 2 51.374 377 1 B 200 GLY 2 47.915 _database_2.database_id ModelArchive _database_2.database_code ma-t3vr3-001 _database_2.pdbx_DOI 10.5452/ma-t3vr3-001 _pdbx_database_status.entry_id ma-t3vr3-001 _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'