data_3BPL # _entry.id 3BPL # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3BPL RCSB RCSB045808 WWPDB D_1000045808 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3BPN . unspecified PDB 3BPO . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3BPL _pdbx_database_status.recvd_initial_deposition_date 2007-12-18 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # _audit_author.name 'Garcia, K.C.' _audit_author.pdbx_ordinal 1 # _citation.id primary _citation.title 'Molecular and Structural Basis of Cytokine Receptor Pleiotropy in the Interleukin-4/13 System.' _citation.journal_abbrev 'Cell(Cambridge,Mass.)' _citation.journal_volume 132 _citation.page_first 259 _citation.page_last 272 _citation.year 2008 _citation.journal_id_ASTM CELLB5 _citation.country US _citation.journal_id_ISSN 0092-8674 _citation.journal_id_CSD 0998 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 18243101 _citation.pdbx_database_id_DOI 10.1016/j.cell.2007.12.030 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Laporte, S.L.' 1 primary 'Juo, Z.S.' 2 primary 'Vaclavikova, J.' 3 primary 'Colf, L.A.' 4 primary 'Qi, X.' 5 primary 'Heller, N.M.' 6 primary 'Keegan, A.D.' 7 primary 'Garcia, K.C.' 8 # _cell.entry_id 3BPL _cell.length_a 52.578 _cell.length_b 86.652 _cell.length_c 175.671 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3BPL _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man Interleukin-4 14989.248 1 ? ? ? ? 2 polymer man 'Interleukin-4 receptor alpha chain' 23470.332 1 ? ? 'Extracellular domain, residues 27-227' ? 3 polymer man 'Cytokine receptor common gamma chain' 23912.684 1 ? ? 'Extracellular domain, residues 56-254' ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 7 ? ? ? ? 5 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 6 water nat water 18.015 137 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 'IL-4, B-cell stimulatory factor 1, BSF-1, Lymphocyte stimulatory factor 1, Binetrakin, Pitrakinra' 2 'IL-4R-alpha, CD124 antigen, Soluble interleukin-4 receptor alpha chain' 3 'Gamma-C, Interleukin-2 receptor gamma chain, IL-2R gamma chain, p64, CD132 antigen' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;HKCDITLQEIIKTLNSLTEQKTLCTELTVTDIFAASKNTTEKETFCRAATVLRQFYSHHEKDTRCLGATAQQFHRHKQLI RFLKRLDRNLWGLAGLNSCPVKEANQSTLENFLERLKTIMREKYSKCSS ; ;HKCDITLQEIIKTLNSLTEQKTLCTELTVTDIFAASKNTTEKETFCRAATVLRQFYSHHEKDTRCLGATAQQFHRHKQLI RFLKRLDRNLWGLAGLNSCPVKEANQSTLENFLERLKTIMREKYSKCSS ; A ? 2 'polypeptide(L)' no no ;ADPFKVLQEPTCVSDYMSISTCEWKMNGPTQCSTELRLLYQLVFLLSEAHTCIPENNGGAGCVCHLLMDDVVSADQYTLD LWAGQQLLWKGSFKPSEHVKPRAPGNLTVHTQVSDTLLLTWSNPYPPDNYLYNHLTYAVNIWSENDPADFRIYQVTYLEP SLRIAASTLKSGISYRARVRAWAQCYNTTWSEWSPSTKWHNSYRE ; ;ADPFKVLQEPTCVSDYMSISTCEWKMNGPTQCSTELRLLYQLVFLLSEAHTCIPENNGGAGCVCHLLMDDVVSADQYTLD LWAGQQLLWKGSFKPSEHVKPRAPGNLTVHTQVSDTLLLTWSNPYPPDNYLYNHLTYAVNIWSENDPADFRIYQVTYLEP SLRIAASTLKSGISYRARVRAWAQCYNTTWSEWSPSTKWHNSYRE ; B ? 3 'polypeptide(L)' no no ;PLPEVQCFVFNVEYMNCTWQSSSEPQPTNLTLHYWYKNSDNDKVQKCSHYLFSEEITSGCQLQKKEIHLYQTFVVQLQDP REPRRQATQMLKLQNLVIPWAPENLTLHKLSESQLELNWNNRFLNHCLEHLVQYRTDWDHSWTEQSVDYRHKFSLPSVDG QKRYTFRVRSRFNPLCGSAQHWSEWSHPIHWGSNTSKEN ; ;PLPEVQCFVFNVEYMNCTWQSSSEPQPTNLTLHYWYKNSDNDKVQKCSHYLFSEEITSGCQLQKKEIHLYQTFVVQLQDP REPRRQATQMLKLQNLVIPWAPENLTLHKLSESQLELNWNNRFLNHCLEHLVQYRTDWDHSWTEQSVDYRHKFSLPSVDG QKRYTFRVRSRFNPLCGSAQHWSEWSHPIHWGSNTSKEN ; C ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 HIS n 1 2 LYS n 1 3 CYS n 1 4 ASP n 1 5 ILE n 1 6 THR n 1 7 LEU n 1 8 GLN n 1 9 GLU n 1 10 ILE n 1 11 ILE n 1 12 LYS n 1 13 THR n 1 14 LEU n 1 15 ASN n 1 16 SER n 1 17 LEU n 1 18 THR n 1 19 GLU n 1 20 GLN n 1 21 LYS n 1 22 THR n 1 23 LEU n 1 24 CYS n 1 25 THR n 1 26 GLU n 1 27 LEU n 1 28 THR n 1 29 VAL n 1 30 THR n 1 31 ASP n 1 32 ILE n 1 33 PHE n 1 34 ALA n 1 35 ALA n 1 36 SER n 1 37 LYS n 1 38 ASN n 1 39 THR n 1 40 THR n 1 41 GLU n 1 42 LYS n 1 43 GLU n 1 44 THR n 1 45 PHE n 1 46 CYS n 1 47 ARG n 1 48 ALA n 1 49 ALA n 1 50 THR n 1 51 VAL n 1 52 LEU n 1 53 ARG n 1 54 GLN n 1 55 PHE n 1 56 TYR n 1 57 SER n 1 58 HIS n 1 59 HIS n 1 60 GLU n 1 61 LYS n 1 62 ASP n 1 63 THR n 1 64 ARG n 1 65 CYS n 1 66 LEU n 1 67 GLY n 1 68 ALA n 1 69 THR n 1 70 ALA n 1 71 GLN n 1 72 GLN n 1 73 PHE n 1 74 HIS n 1 75 ARG n 1 76 HIS n 1 77 LYS n 1 78 GLN n 1 79 LEU n 1 80 ILE n 1 81 ARG n 1 82 PHE n 1 83 LEU n 1 84 LYS n 1 85 ARG n 1 86 LEU n 1 87 ASP n 1 88 ARG n 1 89 ASN n 1 90 LEU n 1 91 TRP n 1 92 GLY n 1 93 LEU n 1 94 ALA n 1 95 GLY n 1 96 LEU n 1 97 ASN n 1 98 SER n 1 99 CYS n 1 100 PRO n 1 101 VAL n 1 102 LYS n 1 103 GLU n 1 104 ALA n 1 105 ASN n 1 106 GLN n 1 107 SER n 1 108 THR n 1 109 LEU n 1 110 GLU n 1 111 ASN n 1 112 PHE n 1 113 LEU n 1 114 GLU n 1 115 ARG n 1 116 LEU n 1 117 LYS n 1 118 THR n 1 119 ILE n 1 120 MET n 1 121 ARG n 1 122 GLU n 1 123 LYS n 1 124 TYR n 1 125 SER n 1 126 LYS n 1 127 CYS n 1 128 SER n 1 129 SER n 2 1 ALA n 2 2 ASP n 2 3 PRO n 2 4 PHE n 2 5 LYS n 2 6 VAL n 2 7 LEU n 2 8 GLN n 2 9 GLU n 2 10 PRO n 2 11 THR n 2 12 CYS n 2 13 VAL n 2 14 SER n 2 15 ASP n 2 16 TYR n 2 17 MET n 2 18 SER n 2 19 ILE n 2 20 SER n 2 21 THR n 2 22 CYS n 2 23 GLU n 2 24 TRP n 2 25 LYS n 2 26 MET n 2 27 ASN n 2 28 GLY n 2 29 PRO n 2 30 THR n 2 31 GLN n 2 32 CYS n 2 33 SER n 2 34 THR n 2 35 GLU n 2 36 LEU n 2 37 ARG n 2 38 LEU n 2 39 LEU n 2 40 TYR n 2 41 GLN n 2 42 LEU n 2 43 VAL n 2 44 PHE n 2 45 LEU n 2 46 LEU n 2 47 SER n 2 48 GLU n 2 49 ALA n 2 50 HIS n 2 51 THR n 2 52 CYS n 2 53 ILE n 2 54 PRO n 2 55 GLU n 2 56 ASN n 2 57 ASN n 2 58 GLY n 2 59 GLY n 2 60 ALA n 2 61 GLY n 2 62 CYS n 2 63 VAL n 2 64 CYS n 2 65 HIS n 2 66 LEU n 2 67 LEU n 2 68 MET n 2 69 ASP n 2 70 ASP n 2 71 VAL n 2 72 VAL n 2 73 SER n 2 74 ALA n 2 75 ASP n 2 76 GLN n 2 77 TYR n 2 78 THR n 2 79 LEU n 2 80 ASP n 2 81 LEU n 2 82 TRP n 2 83 ALA n 2 84 GLY n 2 85 GLN n 2 86 GLN n 2 87 LEU n 2 88 LEU n 2 89 TRP n 2 90 LYS n 2 91 GLY n 2 92 SER n 2 93 PHE n 2 94 LYS n 2 95 PRO n 2 96 SER n 2 97 GLU n 2 98 HIS n 2 99 VAL n 2 100 LYS n 2 101 PRO n 2 102 ARG n 2 103 ALA n 2 104 PRO n 2 105 GLY n 2 106 ASN n 2 107 LEU n 2 108 THR n 2 109 VAL n 2 110 HIS n 2 111 THR n 2 112 GLN n 2 113 VAL n 2 114 SER n 2 115 ASP n 2 116 THR n 2 117 LEU n 2 118 LEU n 2 119 LEU n 2 120 THR n 2 121 TRP n 2 122 SER n 2 123 ASN n 2 124 PRO n 2 125 TYR n 2 126 PRO n 2 127 PRO n 2 128 ASP n 2 129 ASN n 2 130 TYR n 2 131 LEU n 2 132 TYR n 2 133 ASN n 2 134 HIS n 2 135 LEU n 2 136 THR n 2 137 TYR n 2 138 ALA n 2 139 VAL n 2 140 ASN n 2 141 ILE n 2 142 TRP n 2 143 SER n 2 144 GLU n 2 145 ASN n 2 146 ASP n 2 147 PRO n 2 148 ALA n 2 149 ASP n 2 150 PHE n 2 151 ARG n 2 152 ILE n 2 153 TYR n 2 154 GLN n 2 155 VAL n 2 156 THR n 2 157 TYR n 2 158 LEU n 2 159 GLU n 2 160 PRO n 2 161 SER n 2 162 LEU n 2 163 ARG n 2 164 ILE n 2 165 ALA n 2 166 ALA n 2 167 SER n 2 168 THR n 2 169 LEU n 2 170 LYS n 2 171 SER n 2 172 GLY n 2 173 ILE n 2 174 SER n 2 175 TYR n 2 176 ARG n 2 177 ALA n 2 178 ARG n 2 179 VAL n 2 180 ARG n 2 181 ALA n 2 182 TRP n 2 183 ALA n 2 184 GLN n 2 185 CYS n 2 186 TYR n 2 187 ASN n 2 188 THR n 2 189 THR n 2 190 TRP n 2 191 SER n 2 192 GLU n 2 193 TRP n 2 194 SER n 2 195 PRO n 2 196 SER n 2 197 THR n 2 198 LYS n 2 199 TRP n 2 200 HIS n 2 201 ASN n 2 202 SER n 2 203 TYR n 2 204 ARG n 2 205 GLU n 3 1 PRO n 3 2 LEU n 3 3 PRO n 3 4 GLU n 3 5 VAL n 3 6 GLN n 3 7 CYS n 3 8 PHE n 3 9 VAL n 3 10 PHE n 3 11 ASN n 3 12 VAL n 3 13 GLU n 3 14 TYR n 3 15 MET n 3 16 ASN n 3 17 CYS n 3 18 THR n 3 19 TRP n 3 20 GLN n 3 21 SER n 3 22 SER n 3 23 SER n 3 24 GLU n 3 25 PRO n 3 26 GLN n 3 27 PRO n 3 28 THR n 3 29 ASN n 3 30 LEU n 3 31 THR n 3 32 LEU n 3 33 HIS n 3 34 TYR n 3 35 TRP n 3 36 TYR n 3 37 LYS n 3 38 ASN n 3 39 SER n 3 40 ASP n 3 41 ASN n 3 42 ASP n 3 43 LYS n 3 44 VAL n 3 45 GLN n 3 46 LYS n 3 47 CYS n 3 48 SER n 3 49 HIS n 3 50 TYR n 3 51 LEU n 3 52 PHE n 3 53 SER n 3 54 GLU n 3 55 GLU n 3 56 ILE n 3 57 THR n 3 58 SER n 3 59 GLY n 3 60 CYS n 3 61 GLN n 3 62 LEU n 3 63 GLN n 3 64 LYS n 3 65 LYS n 3 66 GLU n 3 67 ILE n 3 68 HIS n 3 69 LEU n 3 70 TYR n 3 71 GLN n 3 72 THR n 3 73 PHE n 3 74 VAL n 3 75 VAL n 3 76 GLN n 3 77 LEU n 3 78 GLN n 3 79 ASP n 3 80 PRO n 3 81 ARG n 3 82 GLU n 3 83 PRO n 3 84 ARG n 3 85 ARG n 3 86 GLN n 3 87 ALA n 3 88 THR n 3 89 GLN n 3 90 MET n 3 91 LEU n 3 92 LYS n 3 93 LEU n 3 94 GLN n 3 95 ASN n 3 96 LEU n 3 97 VAL n 3 98 ILE n 3 99 PRO n 3 100 TRP n 3 101 ALA n 3 102 PRO n 3 103 GLU n 3 104 ASN n 3 105 LEU n 3 106 THR n 3 107 LEU n 3 108 HIS n 3 109 LYS n 3 110 LEU n 3 111 SER n 3 112 GLU n 3 113 SER n 3 114 GLN n 3 115 LEU n 3 116 GLU n 3 117 LEU n 3 118 ASN n 3 119 TRP n 3 120 ASN n 3 121 ASN n 3 122 ARG n 3 123 PHE n 3 124 LEU n 3 125 ASN n 3 126 HIS n 3 127 CYS n 3 128 LEU n 3 129 GLU n 3 130 HIS n 3 131 LEU n 3 132 VAL n 3 133 GLN n 3 134 TYR n 3 135 ARG n 3 136 THR n 3 137 ASP n 3 138 TRP n 3 139 ASP n 3 140 HIS n 3 141 SER n 3 142 TRP n 3 143 THR n 3 144 GLU n 3 145 GLN n 3 146 SER n 3 147 VAL n 3 148 ASP n 3 149 TYR n 3 150 ARG n 3 151 HIS n 3 152 LYS n 3 153 PHE n 3 154 SER n 3 155 LEU n 3 156 PRO n 3 157 SER n 3 158 VAL n 3 159 ASP n 3 160 GLY n 3 161 GLN n 3 162 LYS n 3 163 ARG n 3 164 TYR n 3 165 THR n 3 166 PHE n 3 167 ARG n 3 168 VAL n 3 169 ARG n 3 170 SER n 3 171 ARG n 3 172 PHE n 3 173 ASN n 3 174 PRO n 3 175 LEU n 3 176 CYS n 3 177 GLY n 3 178 SER n 3 179 ALA n 3 180 GLN n 3 181 HIS n 3 182 TRP n 3 183 SER n 3 184 GLU n 3 185 TRP n 3 186 SER n 3 187 HIS n 3 188 PRO n 3 189 ILE n 3 190 HIS n 3 191 TRP n 3 192 GLY n 3 193 SER n 3 194 ASN n 3 195 THR n 3 196 SER n 3 197 LYS n 3 198 GLU n 3 199 ASN n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? human Homo IL4 ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7108 Spodoptera ? ? ? ? ? SF9 ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample ? ? ? human Homo 'IL4R, 582J2.1, IL4RA' ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7108 Spodoptera ? ? ? ? ? SF9 ? ? ? ? ? ? ? ? ? ? ? ? ? ? 3 1 sample ? ? ? human Homo IL2RG ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7108 Spodoptera ? ? ? ? ? SF9 ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP IL4_HUMAN P05112 1 ;HKCDITLQEIIKTLNSLTEQKTLCTELTVTDIFAASKNTTEKETFCRAATVLRQFYSHHEKDTRCLGATAQQFHRHKQLI RFLKRLDRNLWGLAGLNSCPVKEANQSTLENFLERLKTIMREKYSKCSS ; 25 ? 2 UNP IL4RA_HUMAN P24394 2 ;KVLQEPTCVSDYMSISTCEWKMNGPTNCSTELRLLYQLVFLLSEAHTCIPENNGGAGCVCHLLMDDVVSADNYTLDLWAG QQLLWKGSFKPSEHVKPRAPGNLTVHTNVSDTLLLTWSNPYPPDNYLYNHLTYAVNIWSENDPADFRIYNVTYLEPSLRI AASTLKSGISYRARVRAWAQCYNTTWSEWSPSTKWHNSYRE ; 27 ? 3 UNP IL2RG_HUMAN P31785 3 ;PLPEVQCFVFNVEYMNCTWNSSSEPQPTNLTLHYWYKNSDNDKVQKCSHYLFSEEITSGCQLQKKEIHLYQTFVVQLQDP REPRRQATQMLKLQNLVIPWAPENLTLHKLSESQLELNWNNRFLNHCLEHLVQYRTDWDHSWTEQSVDYRHKFSLPSVDG QKRYTFRVRSRFNPLCGSAQHWSEWSHPIHWGSNTSKEN ; 56 ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3BPL A 1 ? 129 ? P05112 25 ? 153 ? 1 129 2 2 3BPL B 5 ? 205 ? P24394 27 ? 227 ? 2 202 3 3 3BPL C 1 ? 199 ? P31785 56 ? 254 ? 34 232 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 2 3BPL ALA B 1 ? UNP P24394 ? ? 'EXPRESSION TAG' -2 1 2 3BPL ASP B 2 ? UNP P24394 ? ? 'EXPRESSION TAG' -1 2 2 3BPL PRO B 3 ? UNP P24394 ? ? 'EXPRESSION TAG' 0 3 2 3BPL PHE B 4 ? UNP P24394 ? ? 'EXPRESSION TAG' 1 4 2 3BPL GLN B 31 ? UNP P24394 ASN 53 ENGINEERED 28 5 2 3BPL GLN B 76 ? UNP P24394 ASN 98 ENGINEERED 73 6 2 3BPL GLN B 112 ? UNP P24394 ASN 134 ENGINEERED 109 7 2 3BPL GLN B 154 ? UNP P24394 ASN 176 ENGINEERED 151 8 3 3BPL GLN C 20 ? UNP P31785 ASN 75 ENGINEERED 53 9 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3BPL _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.21 _exptl_crystal.density_percent_sol 61.66 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 295 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pdbx_details '10% PEG8K, 8% ethylene glycol, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315' _diffrn_detector.pdbx_collection_date 2006-06-15 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL11-1' _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL11-1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.0 # _reflns.entry_id 3BPL _reflns.observed_criterion_sigma_F 2.0 _reflns.observed_criterion_sigma_I ? _reflns.d_resolution_high 2.93 _reflns.d_resolution_low 50 _reflns.number_all ? _reflns.number_obs 17699 _reflns.percent_possible_obs 99.5 _reflns.pdbx_Rmerge_I_obs 0.124 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 11.3 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 4.8 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.93 _reflns_shell.d_res_low 3.06 _reflns_shell.percent_possible_all 98.7 _reflns_shell.Rmerge_I_obs 0.617 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.1 _reflns_shell.pdbx_redundancy 4.5 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 1724 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3BPL _refine.ls_number_reflns_obs 16770 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 40.00 _refine.ls_d_res_high 2.93 _refine.ls_percent_reflns_obs 98.60 _refine.ls_R_factor_obs 0.226 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.22228 _refine.ls_R_factor_R_free 0.29711 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 888 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.909 _refine.correlation_coeff_Fo_to_Fc_free 0.850 _refine.B_iso_mean 38.186 _refine.aniso_B[1][1] -1.00 _refine.aniso_B[2][2] -0.86 _refine.aniso_B[3][3] 1.86 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free 0.463 _refine.overall_SU_ML 0.334 _refine.overall_SU_B 33.594 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag 'LIKELY RESIDUAL' _refine.pdbx_diffrn_id 1 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 4289 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 108 _refine_hist.number_atoms_solvent 137 _refine_hist.number_atoms_total 4534 _refine_hist.d_res_high 2.93 _refine_hist.d_res_low 40.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.009 0.021 ? 4532 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.328 1.956 ? 6183 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 2.900 5.000 ? 519 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 39.334 24.045 ? 220 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 14.228 15.000 ? 739 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 17.306 15.000 ? 26 'X-RAY DIFFRACTION' ? r_chiral_restr 0.082 0.200 ? 682 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.020 ? 3412 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.261 0.200 ? 1979 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.326 0.200 ? 3040 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.175 0.200 ? 195 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.319 0.200 ? 43 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.246 0.200 ? 8 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1.518 1.500 ? 2673 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 2.280 2.000 ? 4257 'X-RAY DIFFRACTION' ? r_scbond_it 2.145 3.000 ? 2131 'X-RAY DIFFRACTION' ? r_scangle_it 3.287 4.500 ? 1926 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.93 _refine_ls_shell.d_res_low 3.008 _refine_ls_shell.number_reflns_R_work 1029 _refine_ls_shell.R_factor_R_work 0.369 _refine_ls_shell.percent_reflns_obs 84.42 _refine_ls_shell.R_factor_R_free 0.55 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 55 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3BPL _struct.title 'Crystal structure of the IL4-IL4R-Common Gamma ternary complex' _struct.pdbx_descriptor ;Interleukin-4 precursor, Interleukin-4 receptor alpha chain precursor (IL-4R-alpha) (CD124 antigen) [Contains: Soluble interleukin-4 receptor alpha chain (sIL4Ralpha/prot) (IL-4-binding protein) (IL4-BP)], Cytokine receptor common gamma chain precursor ; _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3BPL _struct_keywords.pdbx_keywords 'Cytokine/Cytokine receptor' _struct_keywords.text ;IL4, IL13, receptor, cytokine, B-cell activation, Glycoprotein, Growth factor, Secreted, Immune response, Membrane, Phosphoprotein, Transmembrane, Disease mutation, Host-virus interaction, SCID, Cytokine-receptor COMPLEX, Cytokine-Cytokine receptor COMPLEX ; # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 4 ? F N N 4 ? G N N 4 ? H N N 5 ? I N N 4 ? J N N 4 ? K N N 4 ? L N N 6 ? M N N 6 ? N N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ASP A 4 ? GLN A 20 ? ASP A 4 GLN A 20 1 ? 17 HELX_P HELX_P2 2 THR A 40 ? GLU A 60 ? THR A 40 GLU A 60 1 ? 21 HELX_P HELX_P3 3 THR A 69 ? GLY A 95 ? THR A 69 GLY A 95 1 ? 27 HELX_P HELX_P4 4 LEU A 109 ? CYS A 127 ? LEU A 109 CYS A 127 1 ? 19 HELX_P HELX_P5 5 GLN B 31 ? LEU B 36 ? GLN B 28 LEU B 33 1 ? 6 HELX_P HELX_P6 6 LYS B 94 ? HIS B 98 ? LYS B 91 HIS B 95 5 ? 5 HELX_P HELX_P7 7 LEU B 131 ? LEU B 135 ? LEU B 128 LEU B 132 5 ? 5 HELX_P HELX_P8 8 SER B 167 ? LEU B 169 ? SER B 164 LEU B 166 5 ? 3 HELX_P HELX_P9 9 ALA B 183 ? ASN B 187 ? ALA B 180 ASN B 184 5 ? 5 HELX_P HELX_P10 10 GLN C 20 ? GLU C 24 ? GLN C 53 GLU C 57 5 ? 5 HELX_P HELX_P11 11 LYS C 65 ? ILE C 67 ? LYS C 98 ILE C 100 5 ? 3 HELX_P HELX_P12 12 LYS C 92 ? ASN C 95 ? LYS C 125 ASN C 128 5 ? 4 HELX_P HELX_P13 13 LEU C 124 ? HIS C 126 ? LEU C 157 HIS C 159 5 ? 3 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 3 SG ? ? ? 1_555 A CYS 127 SG ? ? A CYS 3 A CYS 127 1_555 ? ? ? ? ? ? ? 2.027 ? disulf2 disulf ? ? A CYS 24 SG ? ? ? 1_555 A CYS 65 SG ? ? A CYS 24 A CYS 65 1_555 ? ? ? ? ? ? ? 2.043 ? disulf3 disulf ? ? A CYS 46 SG ? ? ? 1_555 A CYS 99 SG ? ? A CYS 46 A CYS 99 1_555 ? ? ? ? ? ? ? 2.033 ? disulf4 disulf ? ? B CYS 12 SG ? ? ? 1_555 B CYS 22 SG ? ? B CYS 9 B CYS 19 1_555 ? ? ? ? ? ? ? 2.060 ? disulf5 disulf ? ? B CYS 32 SG ? ? ? 1_555 B CYS 62 SG ? ? B CYS 29 B CYS 59 1_555 ? ? ? ? ? ? ? 2.056 ? disulf6 disulf ? ? B CYS 52 SG ? ? ? 1_555 B CYS 64 SG ? ? B CYS 49 B CYS 61 1_555 ? ? ? ? ? ? ? 2.063 ? disulf7 disulf ? ? C CYS 7 SG ? ? ? 1_555 C CYS 17 SG ? ? C CYS 40 C CYS 50 1_555 ? ? ? ? ? ? ? 2.053 ? disulf8 disulf ? ? C CYS 47 SG ? ? ? 1_555 C CYS 60 SG ? ? C CYS 80 C CYS 93 1_555 ? ? ? ? ? ? ? 2.044 ? disulf9 disulf ? ? C CYS 127 SG ? ? ? 1_555 C CYS 176 SG ? ? C CYS 160 C CYS 209 1_555 ? ? ? ? ? ? ? 2.047 ? covale1 covale ? ? B ASN 106 ND2 ? ? ? 1_555 D NAG . C1 ? ? B ASN 103 B NAG 901 1_555 ? ? ? ? ? ? ? 1.456 ? covale2 covale ? ? B ASN 187 ND2 ? ? ? 1_555 F NAG . C1 ? ? B ASN 184 B NAG 911 1_555 ? ? ? ? ? ? ? 1.443 ? covale3 covale ? ? C ASN 16 ND2 ? ? ? 1_555 I NAG . C1 ? ? C ASN 49 C NAG 921 1_555 ? ? ? ? ? ? ? 1.465 ? covale4 covale ? ? C ASN 29 ND2 ? ? ? 1_555 J NAG . C1 ? ? C ASN 62 C NAG 931 1_555 ? ? ? ? ? ? ? 1.448 ? covale5 covale ? ? C ASN 104 ND2 ? ? ? 1_555 K NAG . C1 ? ? C ASN 137 C NAG 941 1_555 ? ? ? ? ? ? ? 1.460 ? covale6 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? B NAG 901 B NAG 902 1_555 ? ? ? ? ? ? ? 1.420 ? covale7 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? B NAG 911 B NAG 912 1_555 ? ? ? ? ? ? ? 1.417 ? covale8 covale ? ? F NAG . O6 ? ? ? 1_555 H FUC . C1 ? ? B NAG 911 B FUC 913 1_555 ? ? ? ? ? ? ? 1.431 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id ASN _struct_mon_prot_cis.label_seq_id 173 _struct_mon_prot_cis.label_asym_id C _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id ASN _struct_mon_prot_cis.auth_seq_id 206 _struct_mon_prot_cis.auth_asym_id C _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 174 _struct_mon_prot_cis.pdbx_label_asym_id_2 C _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 207 _struct_mon_prot_cis.pdbx_auth_asym_id_2 C _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle -8.41 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 4 ? C ? 4 ? D ? 3 ? E ? 4 ? F ? 5 ? G ? 4 ? H ? 3 ? I ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel F 4 5 ? parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel I 1 2 ? anti-parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 THR A 28 ? THR A 30 ? THR A 28 THR A 30 A 2 GLN A 106 ? THR A 108 ? GLN A 106 THR A 108 B 1 THR B 11 ? SER B 14 ? THR B 8 SER B 11 B 2 ILE B 19 ? LYS B 25 ? ILE B 16 LYS B 22 B 3 GLY B 61 ? LEU B 67 ? GLY B 58 LEU B 64 B 4 GLU B 55 ? ASN B 56 ? GLU B 52 ASN B 53 C 1 HIS B 50 ? CYS B 52 ? HIS B 47 CYS B 49 C 2 ARG B 37 ? LEU B 42 ? ARG B 34 LEU B 39 C 3 TYR B 77 ? ALA B 83 ? TYR B 74 ALA B 80 C 4 GLN B 86 ? PHE B 93 ? GLN B 83 PHE B 90 D 1 GLY B 105 ? HIS B 110 ? GLY B 102 HIS B 107 D 2 THR B 116 ? SER B 122 ? THR B 113 SER B 119 D 3 SER B 161 ? ALA B 165 ? SER B 158 ALA B 162 E 1 PHE B 150 ? VAL B 155 ? PHE B 147 VAL B 152 E 2 THR B 136 ? SER B 143 ? THR B 133 SER B 140 E 3 SER B 174 ? TRP B 182 ? SER B 171 TRP B 179 E 4 THR B 197 ? HIS B 200 ? THR B 194 HIS B 197 F 1 TYR C 50 ? SER C 53 ? TYR C 83 SER C 86 F 2 ILE C 56 ? GLN C 63 ? ILE C 89 GLN C 96 F 3 TYR C 14 ? THR C 18 ? TYR C 47 THR C 51 F 4 GLN C 6 ? PHE C 10 ? GLN C 39 PHE C 43 F 5 VAL C 97 ? ILE C 98 ? VAL C 130 ILE C 131 G 1 GLN C 45 ? LYS C 46 ? GLN C 78 LYS C 79 G 2 THR C 31 ? TYR C 36 ? THR C 64 TYR C 69 G 3 PHE C 73 ? ASP C 79 ? PHE C 106 ASP C 112 G 4 GLU C 82 ? LEU C 91 ? GLU C 115 LEU C 124 H 1 GLU C 103 ? LYS C 109 ? GLU C 136 LYS C 142 H 2 LEU C 115 ? ASN C 120 ? LEU C 148 ASN C 153 H 3 LYS C 152 ? LEU C 155 ? LYS C 185 LEU C 188 I 1 THR C 143 ? VAL C 147 ? THR C 176 VAL C 180 I 2 LEU C 128 ? THR C 136 ? LEU C 161 THR C 169 I 3 TYR C 164 ? PHE C 172 ? TYR C 197 PHE C 205 I 4 ILE C 189 ? TRP C 191 ? ILE C 222 TRP C 224 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N VAL A 29 ? N VAL A 29 O SER A 107 ? O SER A 107 B 1 2 N THR B 11 ? N THR B 8 O GLU B 23 ? O GLU B 20 B 2 3 N SER B 20 ? N SER B 17 O LEU B 66 ? O LEU B 63 B 3 4 O VAL B 63 ? O VAL B 60 N GLU B 55 ? N GLU B 52 C 1 2 O HIS B 50 ? O HIS B 47 N TYR B 40 ? N TYR B 37 C 2 3 N ARG B 37 ? N ARG B 34 O TRP B 82 ? O TRP B 79 C 3 4 N LEU B 81 ? N LEU B 78 O LEU B 88 ? O LEU B 85 D 1 2 N GLY B 105 ? N GLY B 102 O SER B 122 ? O SER B 119 D 2 3 N LEU B 117 ? N LEU B 114 O ILE B 164 ? O ILE B 161 E 1 2 O ARG B 151 ? O ARG B 148 N ILE B 141 ? N ILE B 138 E 2 3 N TRP B 142 ? N TRP B 139 O ARG B 176 ? O ARG B 173 E 3 4 N TYR B 175 ? N TYR B 172 O TRP B 199 ? O TRP B 196 F 1 2 N SER C 53 ? N SER C 86 O ILE C 56 ? O ILE C 89 F 2 3 O CYS C 60 ? O CYS C 93 N CYS C 17 ? N CYS C 50 F 3 4 O TYR C 14 ? O TYR C 47 N PHE C 10 ? N PHE C 43 F 4 5 N VAL C 9 ? N VAL C 42 O ILE C 98 ? O ILE C 131 G 1 2 O GLN C 45 ? O GLN C 78 N TYR C 34 ? N TYR C 67 G 2 3 N THR C 31 ? N THR C 64 O GLN C 78 ? O GLN C 111 G 3 4 N PHE C 73 ? N PHE C 106 O LEU C 91 ? O LEU C 124 H 1 2 N HIS C 108 ? N HIS C 141 O GLU C 116 ? O GLU C 149 H 2 3 N LEU C 115 ? N LEU C 148 O LEU C 155 ? O LEU C 188 I 1 2 O GLN C 145 ? O GLN C 178 N VAL C 132 ? N VAL C 165 I 2 3 N GLN C 133 ? N GLN C 166 O ARG C 167 ? O ARG C 200 I 3 4 N PHE C 166 ? N PHE C 199 O ILE C 189 ? O ILE C 222 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG B 901' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG B 902' AC4 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG B 911' AC5 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG B 912' AC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE FUC B 913' AC7 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG C 921' AC8 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG C 931' AC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG C 941' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 7 GLY B 105 ? GLY B 102 . ? 1_555 ? 2 AC1 7 ASN B 106 ? ASN B 103 . ? 1_555 ? 3 AC1 7 SER B 122 ? SER B 119 . ? 1_555 ? 4 AC1 7 NAG E . ? NAG B 902 . ? 1_555 ? 5 AC1 7 HOH M . ? HOH B 944 . ? 1_555 ? 6 AC1 7 HOH M . ? HOH B 973 . ? 1_555 ? 7 AC1 7 HOH M . ? HOH B 986 . ? 1_555 ? 8 AC3 4 NAG D . ? NAG B 901 . ? 1_555 ? 9 AC3 4 HOH M . ? HOH B 941 . ? 1_555 ? 10 AC3 4 HOH M . ? HOH B 943 . ? 1_555 ? 11 AC3 4 HOH M . ? HOH B 1000 . ? 4_545 ? 12 AC4 3 ASN B 187 ? ASN B 184 . ? 1_555 ? 13 AC4 3 NAG G . ? NAG B 912 . ? 1_555 ? 14 AC4 3 FUC H . ? FUC B 913 . ? 1_555 ? 15 AC5 1 NAG F . ? NAG B 911 . ? 1_555 ? 16 AC6 2 THR B 189 ? THR B 186 . ? 1_555 ? 17 AC6 2 NAG F . ? NAG B 911 . ? 1_555 ? 18 AC7 5 PHE C 10 ? PHE C 43 . ? 1_555 ? 19 AC7 5 TYR C 14 ? TYR C 47 . ? 1_555 ? 20 AC7 5 ASN C 16 ? ASN C 49 . ? 1_555 ? 21 AC7 5 LEU C 51 ? LEU C 84 . ? 1_555 ? 22 AC7 5 HOH N . ? HOH C 957 . ? 1_555 ? 23 AC8 3 THR C 28 ? THR C 61 . ? 1_555 ? 24 AC8 3 ASN C 29 ? ASN C 62 . ? 1_555 ? 25 AC8 3 PHE C 52 ? PHE C 85 . ? 1_555 ? 26 AC9 4 ASN C 104 ? ASN C 137 . ? 1_555 ? 27 AC9 4 ASN C 120 ? ASN C 153 . ? 1_555 ? 28 AC9 4 HOH N . ? HOH C 949 . ? 1_555 ? 29 AC9 4 HOH N . ? HOH C 954 . ? 1_555 ? # _database_PDB_matrix.entry_id 3BPL _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3BPL _atom_sites.fract_transf_matrix[1][1] 0.019019 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.011540 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.005692 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . CYS A 1 3 ? 14.962 1.521 -28.877 1.00 55.04 ? 3 CYS A N 1 ATOM 2 C CA . CYS A 1 3 ? 15.584 0.359 -28.169 1.00 55.23 ? 3 CYS A CA 1 ATOM 3 C C . CYS A 1 3 ? 15.519 0.405 -26.635 1.00 53.36 ? 3 CYS A C 1 ATOM 4 O O . CYS A 1 3 ? 16.033 1.325 -25.981 1.00 53.03 ? 3 CYS A O 1 ATOM 5 C CB . CYS A 1 3 ? 17.030 0.180 -28.624 1.00 57.46 ? 3 CYS A CB 1 ATOM 6 S SG . CYS A 1 3 ? 17.847 1.701 -29.196 1.00 61.91 ? 3 CYS A SG 1 ATOM 7 N N . ASP A 1 4 ? 14.878 -0.621 -26.086 1.00 51.14 ? 4 ASP A N 1 ATOM 8 C CA . ASP A 1 4 ? 14.694 -0.777 -24.652 1.00 48.73 ? 4 ASP A CA 1 ATOM 9 C C . ASP A 1 4 ? 15.873 -1.541 -24.044 1.00 46.66 ? 4 ASP A C 1 ATOM 10 O O . ASP A 1 4 ? 16.891 -1.757 -24.706 1.00 47.62 ? 4 ASP A O 1 ATOM 11 C CB . ASP A 1 4 ? 13.364 -1.509 -24.389 1.00 49.17 ? 4 ASP A CB 1 ATOM 12 C CG . ASP A 1 4 ? 13.277 -2.877 -25.090 1.00 48.48 ? 4 ASP A CG 1 ATOM 13 O OD1 . ASP A 1 4 ? 13.822 -3.043 -26.206 1.00 46.39 ? 4 ASP A OD1 1 ATOM 14 O OD2 . ASP A 1 4 ? 12.635 -3.786 -24.517 1.00 48.00 ? 4 ASP A OD2 1 ATOM 15 N N . ILE A 1 5 ? 15.722 -1.966 -22.796 1.00 42.47 ? 5 ILE A N 1 ATOM 16 C CA . ILE A 1 5 ? 16.762 -2.692 -22.073 1.00 38.28 ? 5 ILE A CA 1 ATOM 17 C C . ILE A 1 5 ? 17.286 -4.013 -22.663 1.00 34.28 ? 5 ILE A C 1 ATOM 18 O O . ILE A 1 5 ? 18.433 -4.372 -22.425 1.00 33.18 ? 5 ILE A O 1 ATOM 19 C CB . ILE A 1 5 ? 16.297 -2.967 -20.661 1.00 39.69 ? 5 ILE A CB 1 ATOM 20 C CG1 . ILE A 1 5 ? 14.914 -3.611 -20.722 1.00 41.65 ? 5 ILE A CG1 1 ATOM 21 C CG2 . ILE A 1 5 ? 16.264 -1.662 -19.871 1.00 39.91 ? 5 ILE A CG2 1 ATOM 22 C CD1 . ILE A 1 5 ? 14.342 -3.981 -19.369 1.00 46.68 ? 5 ILE A CD1 1 ATOM 23 N N . THR A 1 6 ? 16.476 -4.738 -23.424 1.00 30.30 ? 6 THR A N 1 ATOM 24 C CA . THR A 1 6 ? 16.928 -6.028 -23.959 1.00 26.53 ? 6 THR A CA 1 ATOM 25 C C . THR A 1 6 ? 18.190 -5.869 -24.800 1.00 25.64 ? 6 THR A C 1 ATOM 26 O O . THR A 1 6 ? 19.182 -6.580 -24.608 1.00 24.98 ? 6 THR A O 1 ATOM 27 C CB . THR A 1 6 ? 15.831 -6.725 -24.796 1.00 25.11 ? 6 THR A CB 1 ATOM 28 O OG1 . THR A 1 6 ? 14.638 -6.841 -24.016 1.00 25.37 ? 6 THR A OG1 1 ATOM 29 C CG2 . THR A 1 6 ? 16.261 -8.116 -25.193 1.00 22.54 ? 6 THR A CG2 1 ATOM 30 N N . LEU A 1 7 ? 18.158 -4.920 -25.724 1.00 23.75 ? 7 LEU A N 1 ATOM 31 C CA . LEU A 1 7 ? 19.286 -4.702 -26.604 1.00 22.20 ? 7 LEU A CA 1 ATOM 32 C C . LEU A 1 7 ? 20.493 -4.216 -25.804 1.00 21.80 ? 7 LEU A C 1 ATOM 33 O O . LEU A 1 7 ? 21.637 -4.510 -26.143 1.00 21.83 ? 7 LEU A O 1 ATOM 34 C CB . LEU A 1 7 ? 18.888 -3.701 -27.680 1.00 21.63 ? 7 LEU A CB 1 ATOM 35 C CG . LEU A 1 7 ? 19.788 -3.431 -28.879 1.00 20.23 ? 7 LEU A CG 1 ATOM 36 C CD1 . LEU A 1 7 ? 20.246 -4.714 -29.537 1.00 19.22 ? 7 LEU A CD1 1 ATOM 37 C CD2 . LEU A 1 7 ? 18.983 -2.605 -29.853 1.00 20.64 ? 7 LEU A CD2 1 ATOM 38 N N . GLN A 1 8 ? 20.219 -3.498 -24.718 1.00 20.93 ? 8 GLN A N 1 ATOM 39 C CA . GLN A 1 8 ? 21.260 -2.975 -23.842 1.00 18.84 ? 8 GLN A CA 1 ATOM 40 C C . GLN A 1 8 ? 21.977 -4.074 -23.058 1.00 17.24 ? 8 GLN A C 1 ATOM 41 O O . GLN A 1 8 ? 23.198 -4.033 -22.881 1.00 15.48 ? 8 GLN A O 1 ATOM 42 C CB . GLN A 1 8 ? 20.643 -1.985 -22.882 1.00 19.35 ? 8 GLN A CB 1 ATOM 43 C CG . GLN A 1 8 ? 21.437 -0.746 -22.733 1.00 21.63 ? 8 GLN A CG 1 ATOM 44 C CD . GLN A 1 8 ? 20.610 0.368 -22.151 1.00 24.73 ? 8 GLN A CD 1 ATOM 45 O OE1 . GLN A 1 8 ? 20.482 0.481 -20.922 1.00 25.76 ? 8 GLN A OE1 1 ATOM 46 N NE2 . GLN A 1 8 ? 20.031 1.200 -23.025 1.00 22.12 ? 8 GLN A NE2 1 ATOM 47 N N . GLU A 1 9 ? 21.215 -5.053 -22.578 1.00 15.44 ? 9 GLU A N 1 ATOM 48 C CA . GLU A 1 9 ? 21.806 -6.159 -21.842 1.00 13.52 ? 9 GLU A CA 1 ATOM 49 C C . GLU A 1 9 ? 22.718 -6.923 -22.787 1.00 12.79 ? 9 GLU A C 1 ATOM 50 O O . GLU A 1 9 ? 23.862 -7.250 -22.447 1.00 12.45 ? 9 GLU A O 1 ATOM 51 C CB . GLU A 1 9 ? 20.729 -7.089 -21.305 1.00 12.71 ? 9 GLU A CB 1 ATOM 52 C CG . GLU A 1 9 ? 19.772 -6.447 -20.332 1.00 11.25 ? 9 GLU A CG 1 ATOM 53 C CD . GLU A 1 9 ? 18.795 -7.450 -19.757 1.00 11.80 ? 9 GLU A CD 1 ATOM 54 O OE1 . GLU A 1 9 ? 18.491 -8.441 -20.452 1.00 13.50 ? 9 GLU A OE1 1 ATOM 55 O OE2 . GLU A 1 9 ? 18.327 -7.258 -18.617 1.00 11.16 ? 9 GLU A OE2 1 ATOM 56 N N . ILE A 1 10 ? 22.217 -7.182 -23.990 1.00 11.27 ? 10 ILE A N 1 ATOM 57 C CA . ILE A 1 10 ? 23.004 -7.896 -24.985 1.00 10.19 ? 10 ILE A CA 1 ATOM 58 C C . ILE A 1 10 ? 24.355 -7.229 -25.211 1.00 11.39 ? 10 ILE A C 1 ATOM 59 O O . ILE A 1 10 ? 25.382 -7.908 -25.280 1.00 11.76 ? 10 ILE A O 1 ATOM 60 C CB . ILE A 1 10 ? 22.250 -7.998 -26.309 1.00 9.13 ? 10 ILE A CB 1 ATOM 61 C CG1 . ILE A 1 10 ? 21.075 -8.968 -26.138 1.00 7.80 ? 10 ILE A CG1 1 ATOM 62 C CG2 . ILE A 1 10 ? 23.205 -8.395 -27.439 1.00 5.82 ? 10 ILE A CG2 1 ATOM 63 C CD1 . ILE A 1 10 ? 20.160 -9.093 -27.341 1.00 6.88 ? 10 ILE A CD1 1 ATOM 64 N N . ILE A 1 11 ? 24.358 -5.903 -25.306 1.00 11.35 ? 11 ILE A N 1 ATOM 65 C CA . ILE A 1 11 ? 25.592 -5.180 -25.545 1.00 10.97 ? 11 ILE A CA 1 ATOM 66 C C . ILE A 1 11 ? 26.559 -5.296 -24.361 1.00 11.65 ? 11 ILE A C 1 ATOM 67 O O . ILE A 1 11 ? 27.716 -5.664 -24.553 1.00 11.36 ? 11 ILE A O 1 ATOM 68 C CB . ILE A 1 11 ? 25.303 -3.711 -25.931 1.00 10.45 ? 11 ILE A CB 1 ATOM 69 C CG1 . ILE A 1 11 ? 24.594 -3.691 -27.288 1.00 11.00 ? 11 ILE A CG1 1 ATOM 70 C CG2 . ILE A 1 11 ? 26.592 -2.938 -26.016 1.00 10.78 ? 11 ILE A CG2 1 ATOM 71 C CD1 . ILE A 1 11 ? 24.299 -2.317 -27.869 1.00 9.47 ? 11 ILE A CD1 1 ATOM 72 N N . LYS A 1 12 ? 26.084 -5.017 -23.145 1.00 12.11 ? 12 LYS A N 1 ATOM 73 C CA . LYS A 1 12 ? 26.933 -5.093 -21.949 1.00 12.63 ? 12 LYS A CA 1 ATOM 74 C C . LYS A 1 12 ? 27.613 -6.448 -21.844 1.00 12.07 ? 12 LYS A C 1 ATOM 75 O O . LYS A 1 12 ? 28.813 -6.541 -21.598 1.00 11.90 ? 12 LYS A O 1 ATOM 76 C CB . LYS A 1 12 ? 26.106 -4.829 -20.691 1.00 12.72 ? 12 LYS A CB 1 ATOM 77 C CG . LYS A 1 12 ? 25.577 -3.418 -20.657 1.00 16.40 ? 12 LYS A CG 1 ATOM 78 C CD . LYS A 1 12 ? 24.379 -3.266 -19.763 1.00 18.63 ? 12 LYS A CD 1 ATOM 79 C CE . LYS A 1 12 ? 24.787 -3.030 -18.334 1.00 19.69 ? 12 LYS A CE 1 ATOM 80 N NZ . LYS A 1 12 ? 23.570 -2.910 -17.493 1.00 22.72 ? 12 LYS A NZ 1 ATOM 81 N N . THR A 1 13 ? 26.838 -7.501 -22.049 1.00 10.70 ? 13 THR A N 1 ATOM 82 C CA . THR A 1 13 ? 27.388 -8.839 -21.986 1.00 9.69 ? 13 THR A CA 1 ATOM 83 C C . THR A 1 13 ? 28.465 -8.979 -23.044 1.00 7.54 ? 13 THR A C 1 ATOM 84 O O . THR A 1 13 ? 29.525 -9.540 -22.777 1.00 7.25 ? 13 THR A O 1 ATOM 85 C CB . THR A 1 13 ? 26.290 -9.903 -22.165 1.00 10.73 ? 13 THR A CB 1 ATOM 86 O OG1 . THR A 1 13 ? 25.412 -9.837 -21.039 1.00 11.11 ? 13 THR A OG1 1 ATOM 87 C CG2 . THR A 1 13 ? 26.885 -11.302 -22.245 1.00 11.02 ? 13 THR A CG2 1 ATOM 88 N N . LEU A 1 14 ? 28.208 -8.457 -24.236 1.00 6.31 ? 14 LEU A N 1 ATOM 89 C CA . LEU A 1 14 ? 29.208 -8.536 -25.292 1.00 6.43 ? 14 LEU A CA 1 ATOM 90 C C . LEU A 1 14 ? 30.487 -7.786 -24.899 1.00 7.89 ? 14 LEU A C 1 ATOM 91 O O . LEU A 1 14 ? 31.579 -8.344 -24.994 1.00 7.22 ? 14 LEU A O 1 ATOM 92 C CB . LEU A 1 14 ? 28.643 -8.006 -26.612 1.00 4.13 ? 14 LEU A CB 1 ATOM 93 C CG . LEU A 1 14 ? 27.752 -8.986 -27.365 1.00 2.00 ? 14 LEU A CG 1 ATOM 94 C CD1 . LEU A 1 14 ? 27.027 -8.304 -28.500 1.00 2.00 ? 14 LEU A CD1 1 ATOM 95 C CD2 . LEU A 1 14 ? 28.602 -10.106 -27.888 1.00 2.00 ? 14 LEU A CD2 1 ATOM 96 N N . ASN A 1 15 ? 30.352 -6.539 -24.449 1.00 9.54 ? 15 ASN A N 1 ATOM 97 C CA . ASN A 1 15 ? 31.509 -5.763 -24.013 1.00 11.93 ? 15 ASN A CA 1 ATOM 98 C C . ASN A 1 15 ? 32.310 -6.568 -23.001 1.00 13.41 ? 15 ASN A C 1 ATOM 99 O O . ASN A 1 15 ? 33.545 -6.660 -23.065 1.00 13.03 ? 15 ASN A O 1 ATOM 100 C CB . ASN A 1 15 ? 31.045 -4.432 -23.420 1.00 11.81 ? 15 ASN A CB 1 ATOM 101 C CG . ASN A 1 15 ? 30.505 -3.491 -24.480 1.00 14.04 ? 15 ASN A CG 1 ATOM 102 O OD1 . ASN A 1 15 ? 29.862 -2.488 -24.175 1.00 15.88 ? 15 ASN A OD1 1 ATOM 103 N ND2 . ASN A 1 15 ? 30.780 -3.804 -25.741 1.00 16.01 ? 15 ASN A ND2 1 ATOM 104 N N . SER A 1 16 ? 31.564 -7.184 -22.095 1.00 14.67 ? 16 SER A N 1 ATOM 105 C CA . SER A 1 16 ? 32.105 -8.019 -21.064 1.00 15.57 ? 16 SER A CA 1 ATOM 106 C C . SER A 1 16 ? 32.879 -9.187 -21.660 1.00 17.68 ? 16 SER A C 1 ATOM 107 O O . SER A 1 16 ? 34.016 -9.440 -21.285 1.00 18.34 ? 16 SER A O 1 ATOM 108 C CB . SER A 1 16 ? 30.959 -8.524 -20.219 1.00 14.50 ? 16 SER A CB 1 ATOM 109 O OG . SER A 1 16 ? 31.352 -8.613 -18.873 1.00 16.19 ? 16 SER A OG 1 ATOM 110 N N . LEU A 1 17 ? 32.271 -9.889 -22.603 1.00 20.67 ? 17 LEU A N 1 ATOM 111 C CA . LEU A 1 17 ? 32.920 -11.029 -23.228 1.00 23.38 ? 17 LEU A CA 1 ATOM 112 C C . LEU A 1 17 ? 34.117 -10.681 -24.097 1.00 26.46 ? 17 LEU A C 1 ATOM 113 O O . LEU A 1 17 ? 35.085 -11.427 -24.152 1.00 27.45 ? 17 LEU A O 1 ATOM 114 C CB . LEU A 1 17 ? 31.920 -11.811 -24.065 1.00 22.64 ? 17 LEU A CB 1 ATOM 115 C CG . LEU A 1 17 ? 31.005 -12.771 -23.314 1.00 22.22 ? 17 LEU A CG 1 ATOM 116 C CD1 . LEU A 1 17 ? 30.262 -13.613 -24.325 1.00 22.38 ? 17 LEU A CD1 1 ATOM 117 C CD2 . LEU A 1 17 ? 31.818 -13.663 -22.396 1.00 22.82 ? 17 LEU A CD2 1 ATOM 118 N N . THR A 1 18 ? 34.062 -9.562 -24.797 1.00 30.41 ? 18 THR A N 1 ATOM 119 C CA . THR A 1 18 ? 35.183 -9.200 -25.653 1.00 33.54 ? 18 THR A CA 1 ATOM 120 C C . THR A 1 18 ? 36.350 -8.634 -24.845 1.00 37.05 ? 18 THR A C 1 ATOM 121 O O . THR A 1 18 ? 37.466 -8.556 -25.342 1.00 37.80 ? 18 THR A O 1 ATOM 122 C CB . THR A 1 18 ? 34.751 -8.225 -26.756 1.00 32.30 ? 18 THR A CB 1 ATOM 123 O OG1 . THR A 1 18 ? 34.024 -7.133 -26.174 1.00 30.94 ? 18 THR A OG1 1 ATOM 124 C CG2 . THR A 1 18 ? 33.855 -8.943 -27.745 1.00 30.37 ? 18 THR A CG2 1 ATOM 125 N N . GLU A 1 19 ? 36.091 -8.252 -23.598 1.00 41.00 ? 19 GLU A N 1 ATOM 126 C CA . GLU A 1 19 ? 37.136 -7.726 -22.718 1.00 44.83 ? 19 GLU A CA 1 ATOM 127 C C . GLU A 1 19 ? 38.304 -8.706 -22.712 1.00 46.19 ? 19 GLU A C 1 ATOM 128 O O . GLU A 1 19 ? 39.351 -8.431 -23.296 1.00 46.73 ? 19 GLU A O 1 ATOM 129 C CB . GLU A 1 19 ? 36.606 -7.556 -21.286 1.00 46.00 ? 19 GLU A CB 1 ATOM 130 C CG . GLU A 1 19 ? 36.999 -6.247 -20.597 1.00 48.25 ? 19 GLU A CG 1 ATOM 131 C CD . GLU A 1 19 ? 35.972 -5.138 -20.810 1.00 50.14 ? 19 GLU A CD 1 ATOM 132 O OE1 . GLU A 1 19 ? 34.853 -5.252 -20.266 1.00 51.47 ? 19 GLU A OE1 1 ATOM 133 O OE2 . GLU A 1 19 ? 36.283 -4.153 -21.517 1.00 49.54 ? 19 GLU A OE2 1 ATOM 134 N N . GLN A 1 20 ? 38.105 -9.855 -22.062 1.00 47.78 ? 20 GLN A N 1 ATOM 135 C CA . GLN A 1 20 ? 39.136 -10.888 -21.958 1.00 49.21 ? 20 GLN A CA 1 ATOM 136 C C . GLN A 1 20 ? 38.678 -12.167 -22.650 1.00 49.01 ? 20 GLN A C 1 ATOM 137 O O . GLN A 1 20 ? 37.538 -12.595 -22.495 1.00 48.78 ? 20 GLN A O 1 ATOM 138 C CB . GLN A 1 20 ? 39.500 -11.175 -20.486 1.00 50.61 ? 20 GLN A CB 1 ATOM 139 C CG . GLN A 1 20 ? 38.538 -12.102 -19.712 1.00 53.20 ? 20 GLN A CG 1 ATOM 140 C CD . GLN A 1 20 ? 37.123 -11.538 -19.593 1.00 56.10 ? 20 GLN A CD 1 ATOM 141 O OE1 . GLN A 1 20 ? 36.907 -10.471 -19.007 1.00 56.58 ? 20 GLN A OE1 1 ATOM 142 N NE2 . GLN A 1 20 ? 36.150 -12.257 -20.153 1.00 57.41 ? 20 GLN A NE2 1 ATOM 143 N N . LYS A 1 21 ? 39.585 -12.764 -23.413 1.00 49.24 ? 21 LYS A N 1 ATOM 144 C CA . LYS A 1 21 ? 39.325 -14.001 -24.137 1.00 48.79 ? 21 LYS A CA 1 ATOM 145 C C . LYS A 1 21 ? 39.716 -15.208 -23.280 1.00 48.40 ? 21 LYS A C 1 ATOM 146 O O . LYS A 1 21 ? 40.709 -15.158 -22.558 1.00 49.13 ? 21 LYS A O 1 ATOM 147 C CB . LYS A 1 21 ? 40.133 -13.998 -25.434 1.00 49.45 ? 21 LYS A CB 1 ATOM 148 C CG . LYS A 1 21 ? 41.642 -13.948 -25.226 1.00 50.94 ? 21 LYS A CG 1 ATOM 149 C CD . LYS A 1 21 ? 42.349 -13.941 -26.564 1.00 54.88 ? 21 LYS A CD 1 ATOM 150 C CE . LYS A 1 21 ? 43.858 -14.132 -26.433 1.00 56.90 ? 21 LYS A CE 1 ATOM 151 N NZ . LYS A 1 21 ? 44.540 -13.802 -27.739 1.00 57.67 ? 21 LYS A NZ 1 ATOM 152 N N . THR A 1 22 ? 38.945 -16.291 -23.350 1.00 47.79 ? 22 THR A N 1 ATOM 153 C CA . THR A 1 22 ? 39.259 -17.471 -22.547 1.00 46.85 ? 22 THR A CA 1 ATOM 154 C C . THR A 1 22 ? 39.917 -18.553 -23.379 1.00 45.92 ? 22 THR A C 1 ATOM 155 O O . THR A 1 22 ? 40.192 -18.366 -24.562 1.00 45.02 ? 22 THR A O 1 ATOM 156 C CB . THR A 1 22 ? 38.012 -18.077 -21.832 1.00 47.29 ? 22 THR A CB 1 ATOM 157 O OG1 . THR A 1 22 ? 37.022 -18.453 -22.798 1.00 47.58 ? 22 THR A OG1 1 ATOM 158 C CG2 . THR A 1 22 ? 37.419 -17.088 -20.833 1.00 47.48 ? 22 THR A CG2 1 ATOM 159 N N . LEU A 1 23 ? 40.150 -19.691 -22.738 1.00 45.25 ? 23 LEU A N 1 ATOM 160 C CA . LEU A 1 23 ? 40.788 -20.834 -23.363 1.00 45.52 ? 23 LEU A CA 1 ATOM 161 C C . LEU A 1 23 ? 40.020 -21.394 -24.566 1.00 46.05 ? 23 LEU A C 1 ATOM 162 O O . LEU A 1 23 ? 40.620 -21.950 -25.488 1.00 46.56 ? 23 LEU A O 1 ATOM 163 C CB . LEU A 1 23 ? 40.987 -21.922 -22.305 1.00 45.10 ? 23 LEU A CB 1 ATOM 164 C CG . LEU A 1 23 ? 42.074 -22.975 -22.501 1.00 44.72 ? 23 LEU A CG 1 ATOM 165 C CD1 . LEU A 1 23 ? 43.442 -22.321 -22.707 1.00 43.77 ? 23 LEU A CD1 1 ATOM 166 C CD2 . LEU A 1 23 ? 42.084 -23.892 -21.284 1.00 43.70 ? 23 LEU A CD2 1 ATOM 167 N N . CYS A 1 24 ? 38.700 -21.242 -24.570 1.00 45.85 ? 24 CYS A N 1 ATOM 168 C CA . CYS A 1 24 ? 37.907 -21.807 -25.653 1.00 45.42 ? 24 CYS A CA 1 ATOM 169 C C . CYS A 1 24 ? 37.285 -20.782 -26.603 1.00 44.94 ? 24 CYS A C 1 ATOM 170 O O . CYS A 1 24 ? 36.364 -21.097 -27.355 1.00 45.31 ? 24 CYS A O 1 ATOM 171 C CB . CYS A 1 24 ? 36.858 -22.785 -25.093 1.00 45.18 ? 24 CYS A CB 1 ATOM 172 S SG . CYS A 1 24 ? 37.575 -24.449 -24.847 1.00 46.23 ? 24 CYS A SG 1 ATOM 173 N N . THR A 1 25 ? 37.809 -19.563 -26.588 1.00 43.66 ? 25 THR A N 1 ATOM 174 C CA . THR A 1 25 ? 37.336 -18.537 -27.507 1.00 42.76 ? 25 THR A CA 1 ATOM 175 C C . THR A 1 25 ? 37.955 -18.716 -28.900 1.00 42.94 ? 25 THR A C 1 ATOM 176 O O . THR A 1 25 ? 37.589 -18.029 -29.851 1.00 41.83 ? 25 THR A O 1 ATOM 177 C CB . THR A 1 25 ? 37.612 -17.126 -26.952 1.00 42.03 ? 25 THR A CB 1 ATOM 178 O OG1 . THR A 1 25 ? 38.981 -17.024 -26.542 1.00 40.86 ? 25 THR A OG1 1 ATOM 179 C CG2 . THR A 1 25 ? 36.719 -16.857 -25.759 1.00 41.62 ? 25 THR A CG2 1 ATOM 180 N N . GLU A 1 26 ? 38.879 -19.662 -29.011 1.00 44.00 ? 26 GLU A N 1 ATOM 181 C CA . GLU A 1 26 ? 39.526 -19.966 -30.284 1.00 45.31 ? 26 GLU A CA 1 ATOM 182 C C . GLU A 1 26 ? 38.753 -21.017 -31.071 1.00 44.15 ? 26 GLU A C 1 ATOM 183 O O . GLU A 1 26 ? 38.903 -21.123 -32.288 1.00 44.05 ? 26 GLU A O 1 ATOM 184 C CB . GLU A 1 26 ? 40.952 -20.470 -30.056 1.00 47.79 ? 26 GLU A CB 1 ATOM 185 C CG . GLU A 1 26 ? 41.838 -19.520 -29.257 1.00 53.47 ? 26 GLU A CG 1 ATOM 186 C CD . GLU A 1 26 ? 43.277 -20.023 -29.142 1.00 58.27 ? 26 GLU A CD 1 ATOM 187 O OE1 . GLU A 1 26 ? 43.580 -21.163 -29.614 1.00 59.05 ? 26 GLU A OE1 1 ATOM 188 O OE2 . GLU A 1 26 ? 44.105 -19.268 -28.575 1.00 59.79 ? 26 GLU A OE2 1 ATOM 189 N N . LEU A 1 27 ? 37.942 -21.806 -30.369 1.00 42.71 ? 27 LEU A N 1 ATOM 190 C CA . LEU A 1 27 ? 37.162 -22.856 -31.001 1.00 41.65 ? 27 LEU A CA 1 ATOM 191 C C . LEU A 1 27 ? 36.273 -22.213 -32.056 1.00 41.30 ? 27 LEU A C 1 ATOM 192 O O . LEU A 1 27 ? 35.956 -21.033 -31.945 1.00 42.11 ? 27 LEU A O 1 ATOM 193 C CB . LEU A 1 27 ? 36.330 -23.585 -29.949 1.00 42.07 ? 27 LEU A CB 1 ATOM 194 C CG . LEU A 1 27 ? 37.089 -24.617 -29.111 1.00 42.18 ? 27 LEU A CG 1 ATOM 195 C CD1 . LEU A 1 27 ? 36.162 -25.289 -28.121 1.00 42.17 ? 27 LEU A CD1 1 ATOM 196 C CD2 . LEU A 1 27 ? 37.711 -25.663 -30.024 1.00 44.21 ? 27 LEU A CD2 1 ATOM 197 N N . THR A 1 28 ? 35.867 -22.963 -33.077 1.00 40.36 ? 28 THR A N 1 ATOM 198 C CA . THR A 1 28 ? 35.110 -22.344 -34.169 1.00 39.42 ? 28 THR A CA 1 ATOM 199 C C . THR A 1 28 ? 33.604 -22.531 -34.135 1.00 38.57 ? 28 THR A C 1 ATOM 200 O O . THR A 1 28 ? 33.085 -23.415 -33.461 1.00 38.50 ? 28 THR A O 1 ATOM 201 C CB . THR A 1 28 ? 35.615 -22.775 -35.558 1.00 39.38 ? 28 THR A CB 1 ATOM 202 O OG1 . THR A 1 28 ? 35.058 -24.051 -35.898 1.00 39.95 ? 28 THR A OG1 1 ATOM 203 C CG2 . THR A 1 28 ? 37.127 -22.846 -35.585 1.00 39.11 ? 28 THR A CG2 1 ATOM 204 N N . VAL A 1 29 ? 32.915 -21.673 -34.878 1.00 38.02 ? 29 VAL A N 1 ATOM 205 C CA . VAL A 1 29 ? 31.467 -21.699 -34.975 1.00 38.71 ? 29 VAL A CA 1 ATOM 206 C C . VAL A 1 29 ? 31.086 -21.202 -36.360 1.00 39.75 ? 29 VAL A C 1 ATOM 207 O O . VAL A 1 29 ? 31.886 -20.549 -37.022 1.00 39.02 ? 29 VAL A O 1 ATOM 208 C CB . VAL A 1 29 ? 30.803 -20.805 -33.897 1.00 38.39 ? 29 VAL A CB 1 ATOM 209 C CG1 . VAL A 1 29 ? 31.157 -21.298 -32.521 1.00 38.03 ? 29 VAL A CG1 1 ATOM 210 C CG2 . VAL A 1 29 ? 31.236 -19.360 -34.044 1.00 37.68 ? 29 VAL A CG2 1 ATOM 211 N N . THR A 1 30 ? 29.870 -21.517 -36.794 1.00 41.68 ? 30 THR A N 1 ATOM 212 C CA . THR A 1 30 ? 29.388 -21.104 -38.108 1.00 43.42 ? 30 THR A CA 1 ATOM 213 C C . THR A 1 30 ? 29.321 -19.590 -38.241 1.00 44.84 ? 30 THR A C 1 ATOM 214 O O . THR A 1 30 ? 28.543 -18.939 -37.557 1.00 45.38 ? 30 THR A O 1 ATOM 215 C CB . THR A 1 30 ? 27.985 -21.663 -38.379 1.00 43.15 ? 30 THR A CB 1 ATOM 216 O OG1 . THR A 1 30 ? 28.022 -23.090 -38.333 1.00 43.10 ? 30 THR A OG1 1 ATOM 217 C CG2 . THR A 1 30 ? 27.498 -21.230 -39.742 1.00 43.44 ? 30 THR A CG2 1 ATOM 218 N N . ASP A 1 31 ? 30.135 -19.028 -39.123 1.00 47.27 ? 31 ASP A N 1 ATOM 219 C CA . ASP A 1 31 ? 30.104 -17.593 -39.342 1.00 50.14 ? 31 ASP A CA 1 ATOM 220 C C . ASP A 1 31 ? 28.874 -17.296 -40.167 1.00 51.78 ? 31 ASP A C 1 ATOM 221 O O . ASP A 1 31 ? 28.800 -17.653 -41.339 1.00 52.81 ? 31 ASP A O 1 ATOM 222 C CB . ASP A 1 31 ? 31.349 -17.118 -40.083 1.00 50.46 ? 31 ASP A CB 1 ATOM 223 C CG . ASP A 1 31 ? 31.387 -15.613 -40.246 1.00 51.51 ? 31 ASP A CG 1 ATOM 224 O OD1 . ASP A 1 31 ? 30.559 -14.914 -39.612 1.00 51.51 ? 31 ASP A OD1 1 ATOM 225 O OD2 . ASP A 1 31 ? 32.253 -15.129 -41.007 1.00 52.79 ? 31 ASP A OD2 1 ATOM 226 N N . ILE A 1 32 ? 27.908 -16.640 -39.544 1.00 53.37 ? 32 ILE A N 1 ATOM 227 C CA . ILE A 1 32 ? 26.647 -16.340 -40.197 1.00 54.56 ? 32 ILE A CA 1 ATOM 228 C C . ILE A 1 32 ? 26.589 -14.900 -40.712 1.00 56.16 ? 32 ILE A C 1 ATOM 229 O O . ILE A 1 32 ? 25.553 -14.442 -41.196 1.00 55.79 ? 32 ILE A O 1 ATOM 230 C CB . ILE A 1 32 ? 25.479 -16.623 -39.236 1.00 54.20 ? 32 ILE A CB 1 ATOM 231 C CG1 . ILE A 1 32 ? 25.490 -15.623 -38.077 1.00 53.64 ? 32 ILE A CG1 1 ATOM 232 C CG2 . ILE A 1 32 ? 25.606 -18.032 -38.685 1.00 52.90 ? 32 ILE A CG2 1 ATOM 233 C CD1 . ILE A 1 32 ? 24.348 -15.789 -37.119 1.00 53.53 ? 32 ILE A CD1 1 ATOM 234 N N . PHE A 1 33 ? 27.711 -14.196 -40.618 1.00 58.13 ? 33 PHE A N 1 ATOM 235 C CA . PHE A 1 33 ? 27.758 -12.805 -41.035 1.00 60.72 ? 33 PHE A CA 1 ATOM 236 C C . PHE A 1 33 ? 28.453 -12.657 -42.376 1.00 62.50 ? 33 PHE A C 1 ATOM 237 O O . PHE A 1 33 ? 28.061 -11.826 -43.198 1.00 62.82 ? 33 PHE A O 1 ATOM 238 C CB . PHE A 1 33 ? 28.485 -11.963 -39.992 1.00 60.97 ? 33 PHE A CB 1 ATOM 239 C CG . PHE A 1 33 ? 27.930 -12.100 -38.607 1.00 61.78 ? 33 PHE A CG 1 ATOM 240 C CD1 . PHE A 1 33 ? 28.640 -12.786 -37.626 1.00 61.77 ? 33 PHE A CD1 1 ATOM 241 C CD2 . PHE A 1 33 ? 26.695 -11.550 -38.281 1.00 62.02 ? 33 PHE A CD2 1 ATOM 242 C CE1 . PHE A 1 33 ? 28.128 -12.919 -36.332 1.00 61.81 ? 33 PHE A CE1 1 ATOM 243 C CE2 . PHE A 1 33 ? 26.172 -11.681 -36.993 1.00 62.18 ? 33 PHE A CE2 1 ATOM 244 C CZ . PHE A 1 33 ? 26.892 -12.366 -36.015 1.00 61.72 ? 33 PHE A CZ 1 ATOM 245 N N . ALA A 1 34 ? 29.488 -13.467 -42.590 1.00 64.35 ? 34 ALA A N 1 ATOM 246 C CA . ALA A 1 34 ? 30.244 -13.442 -43.839 1.00 65.63 ? 34 ALA A CA 1 ATOM 247 C C . ALA A 1 34 ? 29.400 -13.909 -45.025 1.00 66.56 ? 34 ALA A C 1 ATOM 248 O O . ALA A 1 34 ? 29.824 -13.810 -46.178 1.00 66.76 ? 34 ALA A O 1 ATOM 249 C CB . ALA A 1 34 ? 31.499 -14.293 -43.712 1.00 65.29 ? 34 ALA A CB 1 ATOM 250 N N . ALA A 1 35 ? 28.202 -14.413 -44.733 1.00 67.62 ? 35 ALA A N 1 ATOM 251 C CA . ALA A 1 35 ? 27.285 -14.879 -45.768 1.00 68.30 ? 35 ALA A CA 1 ATOM 252 C C . ALA A 1 35 ? 25.924 -14.200 -45.637 1.00 68.68 ? 35 ALA A C 1 ATOM 253 O O . ALA A 1 35 ? 24.881 -14.842 -45.771 1.00 68.98 ? 35 ALA A O 1 ATOM 254 C CB . ALA A 1 35 ? 27.137 -16.400 -45.694 1.00 68.27 ? 35 ALA A CB 1 ATOM 255 N N . SER A 1 36 ? 25.940 -12.897 -45.371 1.00 68.99 ? 36 SER A N 1 ATOM 256 C CA . SER A 1 36 ? 24.706 -12.128 -45.248 1.00 69.43 ? 36 SER A CA 1 ATOM 257 C C . SER A 1 36 ? 23.962 -12.141 -46.584 1.00 69.61 ? 36 SER A C 1 ATOM 258 O O . SER A 1 36 ? 24.322 -11.419 -47.519 1.00 69.43 ? 36 SER A O 1 ATOM 259 C CB . SER A 1 36 ? 25.011 -10.689 -44.807 1.00 69.66 ? 36 SER A CB 1 ATOM 260 O OG . SER A 1 36 ? 23.823 -9.931 -44.651 1.00 69.58 ? 36 SER A OG 1 ATOM 261 N N . LYS A 1 37 ? 22.934 -12.981 -46.670 1.00 69.77 ? 37 LYS A N 1 ATOM 262 C CA . LYS A 1 37 ? 22.158 -13.117 -47.900 1.00 69.70 ? 37 LYS A CA 1 ATOM 263 C C . LYS A 1 37 ? 20.943 -12.188 -47.902 1.00 69.43 ? 37 LYS A C 1 ATOM 264 O O . LYS A 1 37 ? 19.857 -12.564 -48.365 1.00 69.51 ? 37 LYS A O 1 ATOM 265 C CB . LYS A 1 37 ? 21.720 -14.574 -48.097 1.00 69.69 ? 37 LYS A CB 1 ATOM 266 C CG . LYS A 1 37 ? 22.866 -15.517 -48.413 1.00 69.78 ? 37 LYS A CG 1 ATOM 267 C CD . LYS A 1 37 ? 22.381 -16.925 -48.690 1.00 71.11 ? 37 LYS A CD 1 ATOM 268 C CE . LYS A 1 37 ? 23.564 -17.894 -48.671 1.00 72.26 ? 37 LYS A CE 1 ATOM 269 N NZ . LYS A 1 37 ? 23.170 -19.250 -49.220 1.00 73.38 ? 37 LYS A NZ 1 ATOM 270 N N . ASN A 1 38 ? 21.141 -10.972 -47.391 1.00 68.72 ? 38 ASN A N 1 ATOM 271 C CA . ASN A 1 38 ? 20.065 -9.984 -47.275 1.00 68.20 ? 38 ASN A CA 1 ATOM 272 C C . ASN A 1 38 ? 18.850 -10.548 -46.520 1.00 67.17 ? 38 ASN A C 1 ATOM 273 O O . ASN A 1 38 ? 17.691 -10.349 -46.905 1.00 66.85 ? 38 ASN A O 1 ATOM 274 C CB . ASN A 1 38 ? 19.662 -9.459 -48.661 1.00 68.74 ? 38 ASN A CB 1 ATOM 275 C CG . ASN A 1 38 ? 18.541 -8.441 -48.589 1.00 69.35 ? 38 ASN A CG 1 ATOM 276 O OD1 . ASN A 1 38 ? 18.674 -7.392 -47.949 1.00 69.59 ? 38 ASN A OD1 1 ATOM 277 N ND2 . ASN A 1 38 ? 17.420 -8.755 -49.235 1.00 69.53 ? 38 ASN A ND2 1 ATOM 278 N N . THR A 1 39 ? 19.137 -11.264 -45.441 1.00 65.42 ? 39 THR A N 1 ATOM 279 C CA . THR A 1 39 ? 18.106 -11.835 -44.594 1.00 63.36 ? 39 THR A CA 1 ATOM 280 C C . THR A 1 39 ? 17.574 -10.726 -43.702 1.00 61.77 ? 39 THR A C 1 ATOM 281 O O . THR A 1 39 ? 18.163 -9.651 -43.628 1.00 61.61 ? 39 THR A O 1 ATOM 282 C CB . THR A 1 39 ? 18.690 -12.940 -43.716 1.00 63.69 ? 39 THR A CB 1 ATOM 283 O OG1 . THR A 1 39 ? 19.768 -12.400 -42.944 1.00 63.49 ? 39 THR A OG1 1 ATOM 284 C CG2 . THR A 1 39 ? 19.212 -14.093 -44.580 1.00 63.81 ? 39 THR A CG2 1 ATOM 285 N N . THR A 1 40 ? 16.466 -10.981 -43.021 1.00 60.00 ? 40 THR A N 1 ATOM 286 C CA . THR A 1 40 ? 15.895 -9.967 -42.148 1.00 58.33 ? 40 THR A CA 1 ATOM 287 C C . THR A 1 40 ? 16.741 -9.776 -40.894 1.00 57.50 ? 40 THR A C 1 ATOM 288 O O . THR A 1 40 ? 17.600 -10.600 -40.577 1.00 57.36 ? 40 THR A O 1 ATOM 289 C CB . THR A 1 40 ? 14.463 -10.317 -41.738 1.00 57.65 ? 40 THR A CB 1 ATOM 290 O OG1 . THR A 1 40 ? 14.481 -11.458 -40.875 1.00 57.98 ? 40 THR A OG1 1 ATOM 291 C CG2 . THR A 1 40 ? 13.625 -10.624 -42.958 1.00 57.20 ? 40 THR A CG2 1 ATOM 292 N N . GLU A 1 41 ? 16.488 -8.676 -40.195 1.00 56.14 ? 41 GLU A N 1 ATOM 293 C CA . GLU A 1 41 ? 17.171 -8.350 -38.953 1.00 54.61 ? 41 GLU A CA 1 ATOM 294 C C . GLU A 1 41 ? 16.896 -9.436 -37.922 1.00 53.09 ? 41 GLU A C 1 ATOM 295 O O . GLU A 1 41 ? 17.770 -9.806 -37.141 1.00 51.93 ? 41 GLU A O 1 ATOM 296 C CB . GLU A 1 41 ? 16.652 -7.016 -38.433 1.00 55.22 ? 41 GLU A CB 1 ATOM 297 C CG . GLU A 1 41 ? 17.487 -6.423 -37.331 1.00 57.54 ? 41 GLU A CG 1 ATOM 298 C CD . GLU A 1 41 ? 16.776 -5.286 -36.637 1.00 59.68 ? 41 GLU A CD 1 ATOM 299 O OE1 . GLU A 1 41 ? 15.741 -5.540 -35.984 1.00 60.83 ? 41 GLU A OE1 1 ATOM 300 O OE2 . GLU A 1 41 ? 17.254 -4.137 -36.745 1.00 60.57 ? 41 GLU A OE2 1 ATOM 301 N N . LYS A 1 42 ? 15.664 -9.934 -37.935 1.00 51.51 ? 42 LYS A N 1 ATOM 302 C CA . LYS A 1 42 ? 15.238 -10.989 -37.036 1.00 50.03 ? 42 LYS A CA 1 ATOM 303 C C . LYS A 1 42 ? 16.018 -12.260 -37.289 1.00 49.00 ? 42 LYS A C 1 ATOM 304 O O . LYS A 1 42 ? 16.617 -12.820 -36.375 1.00 49.72 ? 42 LYS A O 1 ATOM 305 C CB . LYS A 1 42 ? 13.748 -11.268 -37.214 1.00 50.65 ? 42 LYS A CB 1 ATOM 306 C CG . LYS A 1 42 ? 12.837 -10.309 -36.471 1.00 51.33 ? 42 LYS A CG 1 ATOM 307 C CD . LYS A 1 42 ? 11.380 -10.660 -36.734 1.00 52.61 ? 42 LYS A CD 1 ATOM 308 C CE . LYS A 1 42 ? 10.440 -9.725 -35.975 1.00 53.76 ? 42 LYS A CE 1 ATOM 309 N NZ . LYS A 1 42 ? 9.003 -9.972 -36.330 1.00 54.20 ? 42 LYS A NZ 1 ATOM 310 N N . GLU A 1 43 ? 16.017 -12.721 -38.530 1.00 47.24 ? 43 GLU A N 1 ATOM 311 C CA . GLU A 1 43 ? 16.729 -13.941 -38.851 1.00 46.34 ? 43 GLU A CA 1 ATOM 312 C C . GLU A 1 43 ? 18.142 -13.914 -38.281 1.00 44.36 ? 43 GLU A C 1 ATOM 313 O O . GLU A 1 43 ? 18.636 -14.920 -37.784 1.00 44.14 ? 43 GLU A O 1 ATOM 314 C CB . GLU A 1 43 ? 16.758 -14.160 -40.359 1.00 47.82 ? 43 GLU A CB 1 ATOM 315 C CG . GLU A 1 43 ? 15.417 -14.602 -40.926 1.00 50.71 ? 43 GLU A CG 1 ATOM 316 C CD . GLU A 1 43 ? 15.426 -14.626 -42.445 1.00 54.03 ? 43 GLU A CD 1 ATOM 317 O OE1 . GLU A 1 43 ? 16.055 -15.543 -43.025 1.00 55.99 ? 43 GLU A OE1 1 ATOM 318 O OE2 . GLU A 1 43 ? 14.803 -13.727 -43.061 1.00 55.21 ? 43 GLU A OE2 1 ATOM 319 N N . THR A 1 44 ? 18.782 -12.753 -38.332 1.00 41.82 ? 44 THR A N 1 ATOM 320 C CA . THR A 1 44 ? 20.131 -12.622 -37.807 1.00 39.73 ? 44 THR A CA 1 ATOM 321 C C . THR A 1 44 ? 20.179 -12.911 -36.311 1.00 38.02 ? 44 THR A C 1 ATOM 322 O O . THR A 1 44 ? 20.940 -13.778 -35.871 1.00 37.72 ? 44 THR A O 1 ATOM 323 C CB . THR A 1 44 ? 20.691 -11.219 -38.070 1.00 40.37 ? 44 THR A CB 1 ATOM 324 O OG1 . THR A 1 44 ? 20.729 -10.983 -39.480 1.00 41.36 ? 44 THR A OG1 1 ATOM 325 C CG2 . THR A 1 44 ? 22.095 -11.079 -37.502 1.00 40.17 ? 44 THR A CG2 1 ATOM 326 N N . PHE A 1 45 ? 19.367 -12.182 -35.539 1.00 35.67 ? 45 PHE A N 1 ATOM 327 C CA . PHE A 1 45 ? 19.339 -12.338 -34.090 1.00 32.86 ? 45 PHE A CA 1 ATOM 328 C C . PHE A 1 45 ? 19.116 -13.793 -33.760 1.00 30.76 ? 45 PHE A C 1 ATOM 329 O O . PHE A 1 45 ? 19.908 -14.416 -33.056 1.00 30.14 ? 45 PHE A O 1 ATOM 330 C CB . PHE A 1 45 ? 18.225 -11.503 -33.458 1.00 33.61 ? 45 PHE A CB 1 ATOM 331 C CG . PHE A 1 45 ? 18.432 -10.020 -33.570 1.00 35.58 ? 45 PHE A CG 1 ATOM 332 C CD1 . PHE A 1 45 ? 19.702 -9.486 -33.777 1.00 36.77 ? 45 PHE A CD1 1 ATOM 333 C CD2 . PHE A 1 45 ? 17.352 -9.148 -33.454 1.00 36.74 ? 45 PHE A CD2 1 ATOM 334 C CE1 . PHE A 1 45 ? 19.885 -8.104 -33.881 1.00 37.52 ? 45 PHE A CE1 1 ATOM 335 C CE2 . PHE A 1 45 ? 17.527 -7.766 -33.559 1.00 36.49 ? 45 PHE A CE2 1 ATOM 336 C CZ . PHE A 1 45 ? 18.794 -7.247 -33.770 1.00 37.21 ? 45 PHE A CZ 1 ATOM 337 N N . CYS A 1 46 ? 18.034 -14.332 -34.298 1.00 28.46 ? 46 CYS A N 1 ATOM 338 C CA . CYS A 1 46 ? 17.709 -15.723 -34.096 1.00 27.48 ? 46 CYS A CA 1 ATOM 339 C C . CYS A 1 46 ? 18.876 -16.639 -34.472 1.00 25.31 ? 46 CYS A C 1 ATOM 340 O O . CYS A 1 46 ? 19.200 -17.567 -33.733 1.00 24.27 ? 46 CYS A O 1 ATOM 341 C CB . CYS A 1 46 ? 16.471 -16.082 -34.907 1.00 29.16 ? 46 CYS A CB 1 ATOM 342 S SG . CYS A 1 46 ? 15.909 -17.776 -34.669 1.00 32.75 ? 46 CYS A SG 1 ATOM 343 N N . ARG A 1 47 ? 19.505 -16.379 -35.616 1.00 23.82 ? 47 ARG A N 1 ATOM 344 C CA . ARG A 1 47 ? 20.597 -17.221 -36.086 1.00 22.72 ? 47 ARG A CA 1 ATOM 345 C C . ARG A 1 47 ? 21.761 -17.179 -35.113 1.00 21.64 ? 47 ARG A C 1 ATOM 346 O O . ARG A 1 47 ? 22.320 -18.216 -34.755 1.00 20.94 ? 47 ARG A O 1 ATOM 347 C CB . ARG A 1 47 ? 21.072 -16.782 -37.469 1.00 23.60 ? 47 ARG A CB 1 ATOM 348 C CG . ARG A 1 47 ? 20.155 -17.163 -38.604 1.00 24.69 ? 47 ARG A CG 1 ATOM 349 C CD . ARG A 1 47 ? 20.973 -17.529 -39.818 1.00 29.05 ? 47 ARG A CD 1 ATOM 350 N NE . ARG A 1 47 ? 20.162 -17.659 -41.026 1.00 32.95 ? 47 ARG A NE 1 ATOM 351 C CZ . ARG A 1 47 ? 19.792 -16.635 -41.793 1.00 33.41 ? 47 ARG A CZ 1 ATOM 352 N NH1 . ARG A 1 47 ? 20.170 -15.400 -41.479 1.00 33.07 ? 47 ARG A NH1 1 ATOM 353 N NH2 . ARG A 1 47 ? 19.050 -16.848 -42.871 1.00 33.14 ? 47 ARG A NH2 1 ATOM 354 N N . ALA A 1 48 ? 22.114 -15.971 -34.680 1.00 20.60 ? 48 ALA A N 1 ATOM 355 C CA . ALA A 1 48 ? 23.191 -15.778 -33.722 1.00 19.33 ? 48 ALA A CA 1 ATOM 356 C C . ALA A 1 48 ? 22.913 -16.541 -32.415 1.00 18.99 ? 48 ALA A C 1 ATOM 357 O O . ALA A 1 48 ? 23.823 -17.159 -31.832 1.00 18.62 ? 48 ALA A O 1 ATOM 358 C CB . ALA A 1 48 ? 23.379 -14.299 -33.453 1.00 18.78 ? 48 ALA A CB 1 ATOM 359 N N . ALA A 1 49 ? 21.656 -16.498 -31.969 1.00 16.78 ? 49 ALA A N 1 ATOM 360 C CA . ALA A 1 49 ? 21.234 -17.232 -30.788 1.00 15.48 ? 49 ALA A CA 1 ATOM 361 C C . ALA A 1 49 ? 21.521 -18.724 -30.969 1.00 15.79 ? 49 ALA A C 1 ATOM 362 O O . ALA A 1 49 ? 22.098 -19.370 -30.088 1.00 16.42 ? 49 ALA A O 1 ATOM 363 C CB . ALA A 1 49 ? 19.774 -17.003 -30.541 1.00 14.54 ? 49 ALA A CB 1 ATOM 364 N N . THR A 1 50 ? 21.139 -19.255 -32.128 1.00 15.76 ? 50 THR A N 1 ATOM 365 C CA . THR A 1 50 ? 21.355 -20.664 -32.468 1.00 16.15 ? 50 THR A CA 1 ATOM 366 C C . THR A 1 50 ? 22.823 -21.057 -32.445 1.00 15.00 ? 50 THR A C 1 ATOM 367 O O . THR A 1 50 ? 23.196 -22.080 -31.862 1.00 13.85 ? 50 THR A O 1 ATOM 368 C CB . THR A 1 50 ? 20.788 -20.993 -33.858 1.00 17.13 ? 50 THR A CB 1 ATOM 369 O OG1 . THR A 1 50 ? 19.420 -20.570 -33.918 1.00 19.24 ? 50 THR A OG1 1 ATOM 370 C CG2 . THR A 1 50 ? 20.848 -22.500 -34.117 1.00 17.86 ? 50 THR A CG2 1 ATOM 371 N N . VAL A 1 51 ? 23.652 -20.248 -33.093 1.00 14.86 ? 51 VAL A N 1 ATOM 372 C CA . VAL A 1 51 ? 25.089 -20.515 -33.129 1.00 14.91 ? 51 VAL A CA 1 ATOM 373 C C . VAL A 1 51 ? 25.662 -20.600 -31.716 1.00 14.43 ? 51 VAL A C 1 ATOM 374 O O . VAL A 1 51 ? 26.327 -21.577 -31.351 1.00 13.42 ? 51 VAL A O 1 ATOM 375 C CB . VAL A 1 51 ? 25.853 -19.444 -33.930 1.00 14.52 ? 51 VAL A CB 1 ATOM 376 C CG1 . VAL A 1 51 ? 27.347 -19.618 -33.727 1.00 16.13 ? 51 VAL A CG1 1 ATOM 377 C CG2 . VAL A 1 51 ? 25.526 -19.565 -35.397 1.00 14.42 ? 51 VAL A CG2 1 ATOM 378 N N . LEU A 1 52 ? 25.391 -19.572 -30.921 1.00 14.01 ? 52 LEU A N 1 ATOM 379 C CA . LEU A 1 52 ? 25.871 -19.538 -29.555 1.00 13.19 ? 52 LEU A CA 1 ATOM 380 C C . LEU A 1 52 ? 25.314 -20.676 -28.725 1.00 12.74 ? 52 LEU A C 1 ATOM 381 O O . LEU A 1 52 ? 26.036 -21.266 -27.928 1.00 12.24 ? 52 LEU A O 1 ATOM 382 C CB . LEU A 1 52 ? 25.516 -18.207 -28.912 1.00 12.65 ? 52 LEU A CB 1 ATOM 383 C CG . LEU A 1 52 ? 26.228 -16.999 -29.516 1.00 11.32 ? 52 LEU A CG 1 ATOM 384 C CD1 . LEU A 1 52 ? 25.980 -15.755 -28.679 1.00 9.72 ? 52 LEU A CD1 1 ATOM 385 C CD2 . LEU A 1 52 ? 27.699 -17.285 -29.590 1.00 9.42 ? 52 LEU A CD2 1 ATOM 386 N N . ARG A 1 53 ? 24.035 -20.990 -28.920 1.00 12.26 ? 53 ARG A N 1 ATOM 387 C CA . ARG A 1 53 ? 23.415 -22.056 -28.161 1.00 13.03 ? 53 ARG A CA 1 ATOM 388 C C . ARG A 1 53 ? 24.167 -23.352 -28.410 1.00 15.17 ? 53 ARG A C 1 ATOM 389 O O . ARG A 1 53 ? 24.505 -24.067 -27.472 1.00 16.25 ? 53 ARG A O 1 ATOM 390 C CB . ARG A 1 53 ? 21.949 -22.203 -28.531 1.00 10.99 ? 53 ARG A CB 1 ATOM 391 C CG . ARG A 1 53 ? 21.217 -23.259 -27.748 1.00 8.22 ? 53 ARG A CG 1 ATOM 392 C CD . ARG A 1 53 ? 19.785 -23.295 -28.217 1.00 7.85 ? 53 ARG A CD 1 ATOM 393 N NE . ARG A 1 53 ? 19.185 -21.976 -28.075 1.00 10.50 ? 53 ARG A NE 1 ATOM 394 C CZ . ARG A 1 53 ? 18.126 -21.553 -28.750 1.00 11.46 ? 53 ARG A CZ 1 ATOM 395 N NH1 . ARG A 1 53 ? 17.532 -22.351 -29.634 1.00 13.36 ? 53 ARG A NH1 1 ATOM 396 N NH2 . ARG A 1 53 ? 17.665 -20.328 -28.536 1.00 11.13 ? 53 ARG A NH2 1 ATOM 397 N N . GLN A 1 54 ? 24.459 -23.634 -29.675 1.00 18.20 ? 54 GLN A N 1 ATOM 398 C CA . GLN A 1 54 ? 25.168 -24.853 -30.019 1.00 19.92 ? 54 GLN A CA 1 ATOM 399 C C . GLN A 1 54 ? 26.492 -24.897 -29.303 1.00 19.92 ? 54 GLN A C 1 ATOM 400 O O . GLN A 1 54 ? 26.907 -25.947 -28.820 1.00 20.48 ? 54 GLN A O 1 ATOM 401 C CB . GLN A 1 54 ? 25.421 -24.948 -31.515 1.00 21.25 ? 54 GLN A CB 1 ATOM 402 C CG . GLN A 1 54 ? 26.223 -26.174 -31.851 1.00 26.80 ? 54 GLN A CG 1 ATOM 403 C CD . GLN A 1 54 ? 25.897 -26.724 -33.212 1.00 34.02 ? 54 GLN A CD 1 ATOM 404 O OE1 . GLN A 1 54 ? 26.260 -27.867 -33.538 1.00 36.59 ? 54 GLN A OE1 1 ATOM 405 N NE2 . GLN A 1 54 ? 25.205 -25.921 -34.027 1.00 35.07 ? 54 GLN A NE2 1 ATOM 406 N N . PHE A 1 55 ? 27.150 -23.745 -29.238 1.00 19.41 ? 55 PHE A N 1 ATOM 407 C CA . PHE A 1 55 ? 28.450 -23.659 -28.612 1.00 18.96 ? 55 PHE A CA 1 ATOM 408 C C . PHE A 1 55 ? 28.429 -24.032 -27.125 1.00 19.53 ? 55 PHE A C 1 ATOM 409 O O . PHE A 1 55 ? 29.095 -24.997 -26.722 1.00 19.21 ? 55 PHE A O 1 ATOM 410 C CB . PHE A 1 55 ? 29.048 -22.264 -28.803 1.00 18.34 ? 55 PHE A CB 1 ATOM 411 C CG . PHE A 1 55 ? 30.499 -22.171 -28.389 1.00 17.94 ? 55 PHE A CG 1 ATOM 412 C CD1 . PHE A 1 55 ? 31.517 -22.371 -29.319 1.00 17.15 ? 55 PHE A CD1 1 ATOM 413 C CD2 . PHE A 1 55 ? 30.847 -21.922 -27.055 1.00 15.96 ? 55 PHE A CD2 1 ATOM 414 C CE1 . PHE A 1 55 ? 32.855 -22.314 -28.940 1.00 17.14 ? 55 PHE A CE1 1 ATOM 415 C CE2 . PHE A 1 55 ? 32.182 -21.862 -26.662 1.00 15.09 ? 55 PHE A CE2 1 ATOM 416 C CZ . PHE A 1 55 ? 33.188 -22.060 -27.606 1.00 17.69 ? 55 PHE A CZ 1 ATOM 417 N N . TYR A 1 56 ? 27.678 -23.284 -26.309 1.00 18.70 ? 56 TYR A N 1 ATOM 418 C CA . TYR A 1 56 ? 27.669 -23.573 -24.880 1.00 18.33 ? 56 TYR A CA 1 ATOM 419 C C . TYR A 1 56 ? 27.098 -24.945 -24.645 1.00 19.25 ? 56 TYR A C 1 ATOM 420 O O . TYR A 1 56 ? 27.498 -25.637 -23.704 1.00 19.15 ? 56 TYR A O 1 ATOM 421 C CB . TYR A 1 56 ? 26.942 -22.494 -24.037 1.00 17.04 ? 56 TYR A CB 1 ATOM 422 C CG . TYR A 1 56 ? 25.442 -22.301 -24.231 1.00 14.06 ? 56 TYR A CG 1 ATOM 423 C CD1 . TYR A 1 56 ? 24.944 -21.230 -24.981 1.00 12.77 ? 56 TYR A CD1 1 ATOM 424 C CD2 . TYR A 1 56 ? 24.528 -23.129 -23.599 1.00 10.86 ? 56 TYR A CD2 1 ATOM 425 C CE1 . TYR A 1 56 ? 23.579 -21.020 -25.108 1.00 8.61 ? 56 TYR A CE1 1 ATOM 426 C CE2 . TYR A 1 56 ? 23.171 -22.922 -23.732 1.00 7.96 ? 56 TYR A CE2 1 ATOM 427 C CZ . TYR A 1 56 ? 22.709 -21.878 -24.489 1.00 7.53 ? 56 TYR A CZ 1 ATOM 428 O OH . TYR A 1 56 ? 21.365 -21.711 -24.639 1.00 7.55 ? 56 TYR A OH 1 ATOM 429 N N . SER A 1 57 ? 26.192 -25.351 -25.530 1.00 20.43 ? 57 SER A N 1 ATOM 430 C CA . SER A 1 57 ? 25.559 -26.653 -25.435 1.00 23.11 ? 57 SER A CA 1 ATOM 431 C C . SER A 1 57 ? 26.604 -27.755 -25.518 1.00 25.63 ? 57 SER A C 1 ATOM 432 O O . SER A 1 57 ? 26.634 -28.663 -24.686 1.00 24.98 ? 57 SER A O 1 ATOM 433 C CB . SER A 1 57 ? 24.554 -26.818 -26.563 1.00 22.01 ? 57 SER A CB 1 ATOM 434 O OG . SER A 1 57 ? 23.359 -27.386 -26.064 1.00 22.73 ? 57 SER A OG 1 ATOM 435 N N . HIS A 1 58 ? 27.471 -27.645 -26.523 1.00 29.25 ? 58 HIS A N 1 ATOM 436 C CA . HIS A 1 58 ? 28.524 -28.622 -26.785 1.00 32.29 ? 58 HIS A CA 1 ATOM 437 C C . HIS A 1 58 ? 29.753 -28.496 -25.896 1.00 32.53 ? 58 HIS A C 1 ATOM 438 O O . HIS A 1 58 ? 30.405 -29.495 -25.619 1.00 32.49 ? 58 HIS A O 1 ATOM 439 C CB . HIS A 1 58 ? 28.983 -28.519 -28.239 1.00 35.52 ? 58 HIS A CB 1 ATOM 440 C CG . HIS A 1 58 ? 29.881 -29.641 -28.668 1.00 41.40 ? 58 HIS A CG 1 ATOM 441 N ND1 . HIS A 1 58 ? 29.397 -30.878 -29.051 1.00 43.97 ? 58 HIS A ND1 1 ATOM 442 C CD2 . HIS A 1 58 ? 31.231 -29.717 -28.765 1.00 43.97 ? 58 HIS A CD2 1 ATOM 443 C CE1 . HIS A 1 58 ? 30.410 -31.667 -29.366 1.00 44.11 ? 58 HIS A CE1 1 ATOM 444 N NE2 . HIS A 1 58 ? 31.533 -30.987 -29.204 1.00 45.56 ? 58 HIS A NE2 1 ATOM 445 N N . HIS A 1 59 ? 30.079 -27.281 -25.454 1.00 33.36 ? 59 HIS A N 1 ATOM 446 C CA . HIS A 1 59 ? 31.327 -27.083 -24.717 1.00 34.17 ? 59 HIS A CA 1 ATOM 447 C C . HIS A 1 59 ? 31.200 -26.811 -23.239 1.00 34.15 ? 59 HIS A C 1 ATOM 448 O O . HIS A 1 59 ? 32.206 -26.644 -22.560 1.00 33.77 ? 59 HIS A O 1 ATOM 449 C CB . HIS A 1 59 ? 32.163 -25.975 -25.362 1.00 34.97 ? 59 HIS A CB 1 ATOM 450 C CG . HIS A 1 59 ? 32.550 -26.264 -26.776 1.00 37.38 ? 59 HIS A CG 1 ATOM 451 N ND1 . HIS A 1 59 ? 33.333 -27.343 -27.127 1.00 38.61 ? 59 HIS A ND1 1 ATOM 452 C CD2 . HIS A 1 59 ? 32.233 -25.636 -27.934 1.00 38.44 ? 59 HIS A CD2 1 ATOM 453 C CE1 . HIS A 1 59 ? 33.480 -27.368 -28.440 1.00 39.55 ? 59 HIS A CE1 1 ATOM 454 N NE2 . HIS A 1 59 ? 32.824 -26.344 -28.953 1.00 39.44 ? 59 HIS A NE2 1 ATOM 455 N N . GLU A 1 60 ? 29.984 -26.763 -22.723 1.00 35.73 ? 60 GLU A N 1 ATOM 456 C CA . GLU A 1 60 ? 29.829 -26.461 -21.313 1.00 37.28 ? 60 GLU A CA 1 ATOM 457 C C . GLU A 1 60 ? 30.813 -27.261 -20.477 1.00 38.06 ? 60 GLU A C 1 ATOM 458 O O . GLU A 1 60 ? 31.695 -26.693 -19.838 1.00 37.68 ? 60 GLU A O 1 ATOM 459 C CB . GLU A 1 60 ? 28.411 -26.747 -20.846 1.00 37.75 ? 60 GLU A CB 1 ATOM 460 C CG . GLU A 1 60 ? 28.207 -26.419 -19.387 1.00 38.97 ? 60 GLU A CG 1 ATOM 461 C CD . GLU A 1 60 ? 26.748 -26.293 -19.018 1.00 40.36 ? 60 GLU A CD 1 ATOM 462 O OE1 . GLU A 1 60 ? 25.879 -26.527 -19.896 1.00 41.90 ? 60 GLU A OE1 1 ATOM 463 O OE2 . GLU A 1 60 ? 26.477 -25.957 -17.847 1.00 39.53 ? 60 GLU A OE2 1 ATOM 464 N N . LYS A 1 61 ? 30.670 -28.582 -20.515 1.00 39.78 ? 61 LYS A N 1 ATOM 465 C CA . LYS A 1 61 ? 31.506 -29.487 -19.724 1.00 41.85 ? 61 LYS A CA 1 ATOM 466 C C . LYS A 1 61 ? 32.793 -29.992 -20.421 1.00 41.87 ? 61 LYS A C 1 ATOM 467 O O . LYS A 1 61 ? 33.287 -31.077 -20.129 1.00 41.49 ? 61 LYS A O 1 ATOM 468 C CB . LYS A 1 61 ? 30.642 -30.655 -19.243 1.00 42.27 ? 61 LYS A CB 1 ATOM 469 C CG . LYS A 1 61 ? 29.700 -31.165 -20.312 1.00 44.79 ? 61 LYS A CG 1 ATOM 470 C CD . LYS A 1 61 ? 28.884 -32.353 -19.837 1.00 48.12 ? 61 LYS A CD 1 ATOM 471 C CE . LYS A 1 61 ? 28.172 -33.011 -21.011 1.00 49.16 ? 61 LYS A CE 1 ATOM 472 N NZ . LYS A 1 61 ? 29.142 -33.409 -22.084 1.00 49.51 ? 61 LYS A NZ 1 ATOM 473 N N . ASP A 1 62 ? 33.346 -29.182 -21.315 1.00 43.03 ? 62 ASP A N 1 ATOM 474 C CA . ASP A 1 62 ? 34.534 -29.551 -22.080 1.00 43.71 ? 62 ASP A CA 1 ATOM 475 C C . ASP A 1 62 ? 35.804 -29.509 -21.228 1.00 43.63 ? 62 ASP A C 1 ATOM 476 O O . ASP A 1 62 ? 36.122 -28.485 -20.629 1.00 44.28 ? 62 ASP A O 1 ATOM 477 C CB . ASP A 1 62 ? 34.675 -28.593 -23.265 1.00 44.90 ? 62 ASP A CB 1 ATOM 478 C CG . ASP A 1 62 ? 35.732 -29.026 -24.255 1.00 46.11 ? 62 ASP A CG 1 ATOM 479 O OD1 . ASP A 1 62 ? 36.900 -29.209 -23.848 1.00 47.07 ? 62 ASP A OD1 1 ATOM 480 O OD2 . ASP A 1 62 ? 35.391 -29.168 -25.450 1.00 47.28 ? 62 ASP A OD2 1 ATOM 481 N N . THR A 1 63 ? 36.533 -30.623 -21.193 1.00 43.29 ? 63 THR A N 1 ATOM 482 C CA . THR A 1 63 ? 37.784 -30.721 -20.436 1.00 41.93 ? 63 THR A CA 1 ATOM 483 C C . THR A 1 63 ? 38.787 -29.658 -20.852 1.00 41.37 ? 63 THR A C 1 ATOM 484 O O . THR A 1 63 ? 39.291 -28.920 -20.016 1.00 41.31 ? 63 THR A O 1 ATOM 485 C CB . THR A 1 63 ? 38.431 -32.117 -20.603 1.00 41.67 ? 63 THR A CB 1 ATOM 486 O OG1 . THR A 1 63 ? 37.604 -33.098 -19.974 1.00 40.83 ? 63 THR A OG1 1 ATOM 487 C CG2 . THR A 1 63 ? 39.820 -32.165 -19.976 1.00 41.40 ? 63 THR A CG2 1 ATOM 488 N N . ARG A 1 64 ? 39.080 -29.584 -22.145 1.00 40.81 ? 64 ARG A N 1 ATOM 489 C CA . ARG A 1 64 ? 40.030 -28.604 -22.638 1.00 40.92 ? 64 ARG A CA 1 ATOM 490 C C . ARG A 1 64 ? 39.730 -27.243 -22.003 1.00 40.17 ? 64 ARG A C 1 ATOM 491 O O . ARG A 1 64 ? 40.572 -26.681 -21.306 1.00 39.93 ? 64 ARG A O 1 ATOM 492 C CB . ARG A 1 64 ? 39.974 -28.526 -24.172 1.00 42.10 ? 64 ARG A CB 1 ATOM 493 C CG . ARG A 1 64 ? 40.002 -29.892 -24.873 1.00 44.62 ? 64 ARG A CG 1 ATOM 494 C CD . ARG A 1 64 ? 39.783 -29.797 -26.402 1.00 47.89 ? 64 ARG A CD 1 ATOM 495 N NE . ARG A 1 64 ? 38.381 -29.588 -26.795 1.00 49.68 ? 64 ARG A NE 1 ATOM 496 C CZ . ARG A 1 64 ? 37.985 -29.277 -28.032 1.00 49.64 ? 64 ARG A CZ 1 ATOM 497 N NH1 . ARG A 1 64 ? 38.877 -29.136 -29.004 1.00 50.45 ? 64 ARG A NH1 1 ATOM 498 N NH2 . ARG A 1 64 ? 36.697 -29.100 -28.300 1.00 48.89 ? 64 ARG A NH2 1 ATOM 499 N N . CYS A 1 65 ? 38.513 -26.745 -22.213 1.00 39.20 ? 65 CYS A N 1 ATOM 500 C CA . CYS A 1 65 ? 38.093 -25.433 -21.719 1.00 38.74 ? 65 CYS A CA 1 ATOM 501 C C . CYS A 1 65 ? 38.307 -25.173 -20.229 1.00 37.17 ? 65 CYS A C 1 ATOM 502 O O . CYS A 1 65 ? 38.803 -24.118 -19.845 1.00 37.79 ? 65 CYS A O 1 ATOM 503 C CB . CYS A 1 65 ? 36.627 -25.204 -22.047 1.00 40.07 ? 65 CYS A CB 1 ATOM 504 S SG . CYS A 1 65 ? 36.205 -25.517 -23.771 1.00 45.15 ? 65 CYS A SG 1 ATOM 505 N N . LEU A 1 66 ? 37.892 -26.109 -19.389 1.00 34.58 ? 66 LEU A N 1 ATOM 506 C CA . LEU A 1 66 ? 38.114 -25.972 -17.970 1.00 33.20 ? 66 LEU A CA 1 ATOM 507 C C . LEU A 1 66 ? 39.594 -26.250 -17.829 1.00 33.69 ? 66 LEU A C 1 ATOM 508 O O . LEU A 1 66 ? 40.035 -27.379 -18.043 1.00 36.03 ? 66 LEU A O 1 ATOM 509 C CB . LEU A 1 66 ? 37.289 -27.015 -17.230 1.00 32.88 ? 66 LEU A CB 1 ATOM 510 C CG . LEU A 1 66 ? 35.774 -26.910 -17.437 1.00 31.95 ? 66 LEU A CG 1 ATOM 511 C CD1 . LEU A 1 66 ? 35.120 -28.252 -17.258 1.00 32.24 ? 66 LEU A CD1 1 ATOM 512 C CD2 . LEU A 1 66 ? 35.183 -25.903 -16.467 1.00 31.97 ? 66 LEU A CD2 1 ATOM 513 N N . GLY A 1 67 ? 40.378 -25.231 -17.508 1.00 33.11 ? 67 GLY A N 1 ATOM 514 C CA . GLY A 1 67 ? 41.828 -25.403 -17.487 1.00 31.69 ? 67 GLY A CA 1 ATOM 515 C C . GLY A 1 67 ? 42.378 -26.327 -16.411 1.00 30.84 ? 67 GLY A C 1 ATOM 516 O O . GLY A 1 67 ? 41.850 -27.413 -16.157 1.00 30.14 ? 67 GLY A O 1 ATOM 517 N N . ALA A 1 68 ? 43.461 -25.891 -15.780 1.00 29.85 ? 68 ALA A N 1 ATOM 518 C CA . ALA A 1 68 ? 44.079 -26.658 -14.710 1.00 28.99 ? 68 ALA A CA 1 ATOM 519 C C . ALA A 1 68 ? 44.018 -25.864 -13.412 1.00 28.41 ? 68 ALA A C 1 ATOM 520 O O . ALA A 1 68 ? 44.262 -26.395 -12.321 1.00 29.25 ? 68 ALA A O 1 ATOM 521 C CB . ALA A 1 68 ? 45.528 -26.995 -15.068 1.00 27.98 ? 68 ALA A CB 1 ATOM 522 N N . THR A 1 69 ? 43.687 -24.589 -13.539 1.00 26.50 ? 69 THR A N 1 ATOM 523 C CA . THR A 1 69 ? 43.643 -23.718 -12.390 1.00 25.44 ? 69 THR A CA 1 ATOM 524 C C . THR A 1 69 ? 42.215 -23.295 -12.130 1.00 24.45 ? 69 THR A C 1 ATOM 525 O O . THR A 1 69 ? 41.418 -23.156 -13.058 1.00 24.20 ? 69 THR A O 1 ATOM 526 C CB . THR A 1 69 ? 44.506 -22.471 -12.613 1.00 25.90 ? 69 THR A CB 1 ATOM 527 O OG1 . THR A 1 69 ? 44.051 -21.780 -13.779 1.00 26.32 ? 69 THR A OG1 1 ATOM 528 C CG2 . THR A 1 69 ? 45.954 -22.851 -12.799 1.00 24.82 ? 69 THR A CG2 1 ATOM 529 N N . ALA A 1 70 ? 41.889 -23.091 -10.861 1.00 23.43 ? 70 ALA A N 1 ATOM 530 C CA . ALA A 1 70 ? 40.551 -22.671 -10.499 1.00 22.26 ? 70 ALA A CA 1 ATOM 531 C C . ALA A 1 70 ? 40.128 -21.489 -11.361 1.00 21.85 ? 70 ALA A C 1 ATOM 532 O O . ALA A 1 70 ? 38.980 -21.405 -11.806 1.00 21.13 ? 70 ALA A O 1 ATOM 533 C CB . ALA A 1 70 ? 40.523 -22.288 -9.071 1.00 22.61 ? 70 ALA A CB 1 ATOM 534 N N . GLN A 1 71 ? 41.073 -20.588 -11.608 1.00 20.62 ? 71 GLN A N 1 ATOM 535 C CA . GLN A 1 71 ? 40.790 -19.390 -12.366 1.00 20.26 ? 71 GLN A CA 1 ATOM 536 C C . GLN A 1 71 ? 40.319 -19.704 -13.785 1.00 20.36 ? 71 GLN A C 1 ATOM 537 O O . GLN A 1 71 ? 39.358 -19.109 -14.276 1.00 19.08 ? 71 GLN A O 1 ATOM 538 C CB . GLN A 1 71 ? 42.017 -18.493 -12.408 1.00 19.60 ? 71 GLN A CB 1 ATOM 539 C CG . GLN A 1 71 ? 41.748 -17.177 -13.099 1.00 20.66 ? 71 GLN A CG 1 ATOM 540 C CD . GLN A 1 71 ? 43.014 -16.500 -13.551 1.00 21.49 ? 71 GLN A CD 1 ATOM 541 O OE1 . GLN A 1 71 ? 43.686 -15.828 -12.773 1.00 20.56 ? 71 GLN A OE1 1 ATOM 542 N NE2 . GLN A 1 71 ? 43.359 -16.687 -14.822 1.00 23.09 ? 71 GLN A NE2 1 ATOM 543 N N . GLN A 1 72 ? 40.991 -20.641 -14.446 1.00 20.55 ? 72 GLN A N 1 ATOM 544 C CA . GLN A 1 72 ? 40.564 -21.034 -15.780 1.00 20.39 ? 72 GLN A CA 1 ATOM 545 C C . GLN A 1 72 ? 39.164 -21.606 -15.667 1.00 19.89 ? 72 GLN A C 1 ATOM 546 O O . GLN A 1 72 ? 38.330 -21.388 -16.545 1.00 19.38 ? 72 GLN A O 1 ATOM 547 C CB . GLN A 1 72 ? 41.485 -22.094 -16.378 1.00 20.92 ? 72 GLN A CB 1 ATOM 548 C CG . GLN A 1 72 ? 42.963 -21.800 -16.276 1.00 24.23 ? 72 GLN A CG 1 ATOM 549 C CD . GLN A 1 72 ? 43.797 -22.696 -17.182 1.00 27.63 ? 72 GLN A CD 1 ATOM 550 O OE1 . GLN A 1 72 ? 43.703 -22.612 -18.407 1.00 29.58 ? 72 GLN A OE1 1 ATOM 551 N NE2 . GLN A 1 72 ? 44.616 -23.560 -16.583 1.00 26.84 ? 72 GLN A NE2 1 ATOM 552 N N . PHE A 1 73 ? 38.920 -22.332 -14.577 1.00 19.49 ? 73 PHE A N 1 ATOM 553 C CA . PHE A 1 73 ? 37.639 -22.994 -14.337 1.00 19.83 ? 73 PHE A CA 1 ATOM 554 C C . PHE A 1 73 ? 36.483 -22.005 -14.221 1.00 19.67 ? 73 PHE A C 1 ATOM 555 O O . PHE A 1 73 ? 35.438 -22.177 -14.841 1.00 18.94 ? 73 PHE A O 1 ATOM 556 C CB . PHE A 1 73 ? 37.731 -23.839 -13.066 1.00 20.56 ? 73 PHE A CB 1 ATOM 557 C CG . PHE A 1 73 ? 36.464 -24.585 -12.728 1.00 20.50 ? 73 PHE A CG 1 ATOM 558 C CD1 . PHE A 1 73 ? 35.432 -23.966 -12.029 1.00 20.11 ? 73 PHE A CD1 1 ATOM 559 C CD2 . PHE A 1 73 ? 36.314 -25.911 -13.088 1.00 20.29 ? 73 PHE A CD2 1 ATOM 560 C CE1 . PHE A 1 73 ? 34.273 -24.655 -11.717 1.00 17.74 ? 73 PHE A CE1 1 ATOM 561 C CE2 . PHE A 1 73 ? 35.153 -26.600 -12.777 1.00 19.87 ? 73 PHE A CE2 1 ATOM 562 C CZ . PHE A 1 73 ? 34.134 -25.968 -12.095 1.00 17.99 ? 73 PHE A CZ 1 ATOM 563 N N . HIS A 1 74 ? 36.680 -20.970 -13.416 1.00 19.93 ? 74 HIS A N 1 ATOM 564 C CA . HIS A 1 74 ? 35.667 -19.948 -13.236 1.00 19.37 ? 74 HIS A CA 1 ATOM 565 C C . HIS A 1 74 ? 35.456 -19.152 -14.510 1.00 18.56 ? 74 HIS A C 1 ATOM 566 O O . HIS A 1 74 ? 34.317 -18.892 -14.889 1.00 18.13 ? 74 HIS A O 1 ATOM 567 C CB . HIS A 1 74 ? 36.057 -19.027 -12.089 1.00 19.73 ? 74 HIS A CB 1 ATOM 568 C CG . HIS A 1 74 ? 36.075 -19.709 -10.756 1.00 21.21 ? 74 HIS A CG 1 ATOM 569 N ND1 . HIS A 1 74 ? 35.036 -20.499 -10.312 1.00 21.05 ? 74 HIS A ND1 1 ATOM 570 C CD2 . HIS A 1 74 ? 37.000 -19.711 -9.766 1.00 21.54 ? 74 HIS A CD2 1 ATOM 571 C CE1 . HIS A 1 74 ? 35.318 -20.952 -9.104 1.00 22.63 ? 74 HIS A CE1 1 ATOM 572 N NE2 . HIS A 1 74 ? 36.503 -20.488 -8.748 1.00 21.15 ? 74 HIS A NE2 1 ATOM 573 N N . ARG A 1 75 ? 36.546 -18.772 -15.175 1.00 18.72 ? 75 ARG A N 1 ATOM 574 C CA . ARG A 1 75 ? 36.432 -18.051 -16.438 1.00 19.39 ? 75 ARG A CA 1 ATOM 575 C C . ARG A 1 75 ? 35.541 -18.821 -17.392 1.00 18.73 ? 75 ARG A C 1 ATOM 576 O O . ARG A 1 75 ? 34.657 -18.239 -18.025 1.00 19.90 ? 75 ARG A O 1 ATOM 577 C CB . ARG A 1 75 ? 37.790 -17.844 -17.106 1.00 20.65 ? 75 ARG A CB 1 ATOM 578 C CG . ARG A 1 75 ? 38.649 -16.743 -16.508 1.00 24.91 ? 75 ARG A CG 1 ATOM 579 C CD . ARG A 1 75 ? 39.775 -16.387 -17.483 1.00 31.62 ? 75 ARG A CD 1 ATOM 580 N NE . ARG A 1 75 ? 40.873 -15.666 -16.841 1.00 37.45 ? 75 ARG A NE 1 ATOM 581 C CZ . ARG A 1 75 ? 40.747 -14.486 -16.238 1.00 41.91 ? 75 ARG A CZ 1 ATOM 582 N NH1 . ARG A 1 75 ? 39.559 -13.881 -16.185 1.00 43.41 ? 75 ARG A NH1 1 ATOM 583 N NH2 . ARG A 1 75 ? 41.809 -13.910 -15.678 1.00 42.70 ? 75 ARG A NH2 1 ATOM 584 N N . HIS A 1 76 ? 35.766 -20.128 -17.500 1.00 16.61 ? 76 HIS A N 1 ATOM 585 C CA . HIS A 1 76 ? 34.956 -20.926 -18.398 1.00 14.83 ? 76 HIS A CA 1 ATOM 586 C C . HIS A 1 76 ? 33.511 -20.961 -17.929 1.00 13.65 ? 76 HIS A C 1 ATOM 587 O O . HIS A 1 76 ? 32.601 -20.755 -18.731 1.00 13.99 ? 76 HIS A O 1 ATOM 588 C CB . HIS A 1 76 ? 35.495 -22.347 -18.548 1.00 15.21 ? 76 HIS A CB 1 ATOM 589 C CG . HIS A 1 76 ? 34.715 -23.183 -19.518 1.00 15.16 ? 76 HIS A CG 1 ATOM 590 N ND1 . HIS A 1 76 ? 34.527 -22.817 -20.833 1.00 16.58 ? 76 HIS A ND1 1 ATOM 591 C CD2 . HIS A 1 76 ? 34.055 -24.354 -19.360 1.00 16.50 ? 76 HIS A CD2 1 ATOM 592 C CE1 . HIS A 1 76 ? 33.778 -23.719 -21.442 1.00 15.31 ? 76 HIS A CE1 1 ATOM 593 N NE2 . HIS A 1 76 ? 33.484 -24.669 -20.571 1.00 16.55 ? 76 HIS A NE2 1 ATOM 594 N N . LYS A 1 77 ? 33.284 -21.205 -16.643 1.00 11.80 ? 77 LYS A N 1 ATOM 595 C CA . LYS A 1 77 ? 31.913 -21.226 -16.157 1.00 10.73 ? 77 LYS A CA 1 ATOM 596 C C . LYS A 1 77 ? 31.216 -19.930 -16.531 1.00 10.59 ? 77 LYS A C 1 ATOM 597 O O . LYS A 1 77 ? 30.077 -19.940 -16.995 1.00 10.26 ? 77 LYS A O 1 ATOM 598 C CB . LYS A 1 77 ? 31.850 -21.431 -14.650 1.00 9.86 ? 77 LYS A CB 1 ATOM 599 C CG . LYS A 1 77 ? 32.180 -22.826 -14.210 1.00 11.47 ? 77 LYS A CG 1 ATOM 600 C CD . LYS A 1 77 ? 31.130 -23.816 -14.672 1.00 16.09 ? 77 LYS A CD 1 ATOM 601 C CE . LYS A 1 77 ? 31.298 -25.175 -13.993 1.00 18.71 ? 77 LYS A CE 1 ATOM 602 N NZ . LYS A 1 77 ? 30.093 -26.055 -14.221 1.00 21.52 ? 77 LYS A NZ 1 ATOM 603 N N . GLN A 1 78 ? 31.913 -18.814 -16.355 1.00 10.88 ? 78 GLN A N 1 ATOM 604 C CA . GLN A 1 78 ? 31.325 -17.524 -16.649 1.00 11.63 ? 78 GLN A CA 1 ATOM 605 C C . GLN A 1 78 ? 31.088 -17.348 -18.127 1.00 11.86 ? 78 GLN A C 1 ATOM 606 O O . GLN A 1 78 ? 30.044 -16.818 -18.534 1.00 12.77 ? 78 GLN A O 1 ATOM 607 C CB . GLN A 1 78 ? 32.206 -16.391 -16.173 1.00 12.39 ? 78 GLN A CB 1 ATOM 608 C CG . GLN A 1 78 ? 31.495 -15.089 -16.296 1.00 15.77 ? 78 GLN A CG 1 ATOM 609 C CD . GLN A 1 78 ? 32.261 -13.957 -15.676 1.00 20.85 ? 78 GLN A CD 1 ATOM 610 O OE1 . GLN A 1 78 ? 33.297 -13.532 -16.205 1.00 24.21 ? 78 GLN A OE1 1 ATOM 611 N NE2 . GLN A 1 78 ? 31.761 -13.450 -14.543 1.00 19.56 ? 78 GLN A NE2 1 ATOM 612 N N . LEU A 1 79 ? 32.051 -17.772 -18.937 1.00 10.72 ? 79 LEU A N 1 ATOM 613 C CA . LEU A 1 79 ? 31.890 -17.641 -20.370 1.00 10.40 ? 79 LEU A CA 1 ATOM 614 C C . LEU A 1 79 ? 30.552 -18.254 -20.747 1.00 10.34 ? 79 LEU A C 1 ATOM 615 O O . LEU A 1 79 ? 29.701 -17.613 -21.380 1.00 9.62 ? 79 LEU A O 1 ATOM 616 C CB . LEU A 1 79 ? 32.999 -18.372 -21.104 1.00 10.50 ? 79 LEU A CB 1 ATOM 617 C CG . LEU A 1 79 ? 32.632 -18.640 -22.565 1.00 11.27 ? 79 LEU A CG 1 ATOM 618 C CD1 . LEU A 1 79 ? 32.793 -17.362 -23.356 1.00 12.10 ? 79 LEU A CD1 1 ATOM 619 C CD2 . LEU A 1 79 ? 33.489 -19.746 -23.139 1.00 10.24 ? 79 LEU A CD2 1 ATOM 620 N N . ILE A 1 80 ? 30.378 -19.500 -20.322 1.00 10.09 ? 80 ILE A N 1 ATOM 621 C CA . ILE A 1 80 ? 29.169 -20.260 -20.550 1.00 10.75 ? 80 ILE A CA 1 ATOM 622 C C . ILE A 1 80 ? 27.935 -19.519 -20.040 1.00 11.67 ? 80 ILE A C 1 ATOM 623 O O . ILE A 1 80 ? 26.929 -19.410 -20.747 1.00 12.35 ? 80 ILE A O 1 ATOM 624 C CB . ILE A 1 80 ? 29.285 -21.624 -19.873 1.00 10.08 ? 80 ILE A CB 1 ATOM 625 C CG1 . ILE A 1 80 ? 30.401 -22.439 -20.539 1.00 11.86 ? 80 ILE A CG1 1 ATOM 626 C CG2 . ILE A 1 80 ? 27.987 -22.386 -19.979 1.00 11.02 ? 80 ILE A CG2 1 ATOM 627 C CD1 . ILE A 1 80 ? 30.167 -22.766 -22.014 1.00 8.31 ? 80 ILE A CD1 1 ATOM 628 N N . ARG A 1 81 ? 28.020 -18.984 -18.831 1.00 11.60 ? 81 ARG A N 1 ATOM 629 C CA . ARG A 1 81 ? 26.913 -18.232 -18.281 1.00 12.50 ? 81 ARG A CA 1 ATOM 630 C C . ARG A 1 81 ? 26.497 -17.097 -19.234 1.00 12.81 ? 81 ARG A C 1 ATOM 631 O O . ARG A 1 81 ? 25.334 -17.009 -19.668 1.00 12.19 ? 81 ARG A O 1 ATOM 632 C CB . ARG A 1 81 ? 27.313 -17.696 -16.913 1.00 13.50 ? 81 ARG A CB 1 ATOM 633 C CG . ARG A 1 81 ? 26.153 -17.502 -15.980 1.00 17.40 ? 81 ARG A CG 1 ATOM 634 C CD . ARG A 1 81 ? 26.636 -17.122 -14.594 1.00 23.39 ? 81 ARG A CD 1 ATOM 635 N NE . ARG A 1 81 ? 25.521 -17.101 -13.646 1.00 30.51 ? 81 ARG A NE 1 ATOM 636 C CZ . ARG A 1 81 ? 24.984 -18.183 -13.077 1.00 32.33 ? 81 ARG A CZ 1 ATOM 637 N NH1 . ARG A 1 81 ? 25.450 -19.401 -13.352 1.00 33.08 ? 81 ARG A NH1 1 ATOM 638 N NH2 . ARG A 1 81 ? 23.976 -18.048 -12.223 1.00 33.38 ? 81 ARG A NH2 1 ATOM 639 N N . PHE A 1 82 ? 27.461 -16.253 -19.596 1.00 12.82 ? 82 PHE A N 1 ATOM 640 C CA . PHE A 1 82 ? 27.162 -15.118 -20.463 1.00 11.61 ? 82 PHE A CA 1 ATOM 641 C C . PHE A 1 82 ? 26.620 -15.549 -21.817 1.00 10.76 ? 82 PHE A C 1 ATOM 642 O O . PHE A 1 82 ? 25.712 -14.894 -22.352 1.00 10.19 ? 82 PHE A O 1 ATOM 643 C CB . PHE A 1 82 ? 28.381 -14.206 -20.635 1.00 11.41 ? 82 PHE A CB 1 ATOM 644 C CG . PHE A 1 82 ? 28.774 -13.482 -19.383 1.00 11.28 ? 82 PHE A CG 1 ATOM 645 C CD1 . PHE A 1 82 ? 27.964 -13.529 -18.254 1.00 11.78 ? 82 PHE A CD1 1 ATOM 646 C CD2 . PHE A 1 82 ? 29.941 -12.737 -19.332 1.00 11.92 ? 82 PHE A CD2 1 ATOM 647 C CE1 . PHE A 1 82 ? 28.317 -12.862 -17.091 1.00 11.02 ? 82 PHE A CE1 1 ATOM 648 C CE2 . PHE A 1 82 ? 30.306 -12.060 -18.175 1.00 10.73 ? 82 PHE A CE2 1 ATOM 649 C CZ . PHE A 1 82 ? 29.492 -12.126 -17.051 1.00 11.75 ? 82 PHE A CZ 1 ATOM 650 N N . LEU A 1 83 ? 27.152 -16.640 -22.372 1.00 9.17 ? 83 LEU A N 1 ATOM 651 C CA . LEU A 1 83 ? 26.634 -17.094 -23.652 1.00 9.88 ? 83 LEU A CA 1 ATOM 652 C C . LEU A 1 83 ? 25.137 -17.385 -23.510 1.00 10.79 ? 83 LEU A C 1 ATOM 653 O O . LEU A 1 83 ? 24.327 -16.958 -24.348 1.00 11.70 ? 83 LEU A O 1 ATOM 654 C CB . LEU A 1 83 ? 27.412 -18.304 -24.171 1.00 9.41 ? 83 LEU A CB 1 ATOM 655 C CG . LEU A 1 83 ? 28.849 -17.953 -24.596 1.00 8.93 ? 83 LEU A CG 1 ATOM 656 C CD1 . LEU A 1 83 ? 29.548 -19.166 -25.138 1.00 2.99 ? 83 LEU A CD1 1 ATOM 657 C CD2 . LEU A 1 83 ? 28.858 -16.829 -25.632 1.00 7.48 ? 83 LEU A CD2 1 ATOM 658 N N . LYS A 1 84 ? 24.762 -18.067 -22.428 1.00 8.81 ? 84 LYS A N 1 ATOM 659 C CA . LYS A 1 84 ? 23.353 -18.314 -22.161 1.00 6.47 ? 84 LYS A CA 1 ATOM 660 C C . LYS A 1 84 ? 22.561 -17.012 -22.080 1.00 7.55 ? 84 LYS A C 1 ATOM 661 O O . LYS A 1 84 ? 21.471 -16.924 -22.651 1.00 8.41 ? 84 LYS A O 1 ATOM 662 C CB . LYS A 1 84 ? 23.186 -19.104 -20.873 1.00 4.30 ? 84 LYS A CB 1 ATOM 663 C CG . LYS A 1 84 ? 23.665 -20.514 -21.026 1.00 3.02 ? 84 LYS A CG 1 ATOM 664 C CD . LYS A 1 84 ? 23.473 -21.322 -19.775 1.00 2.00 ? 84 LYS A CD 1 ATOM 665 C CE . LYS A 1 84 ? 24.335 -22.576 -19.878 1.00 4.33 ? 84 LYS A CE 1 ATOM 666 N NZ . LYS A 1 84 ? 24.305 -23.473 -18.665 1.00 5.82 ? 84 LYS A NZ 1 ATOM 667 N N . ARG A 1 85 ? 23.086 -16.000 -21.388 1.00 8.13 ? 85 ARG A N 1 ATOM 668 C CA . ARG A 1 85 ? 22.384 -14.715 -21.336 1.00 9.04 ? 85 ARG A CA 1 ATOM 669 C C . ARG A 1 85 ? 22.171 -14.144 -22.726 1.00 10.44 ? 85 ARG A C 1 ATOM 670 O O . ARG A 1 85 ? 21.098 -13.605 -23.017 1.00 10.29 ? 85 ARG A O 1 ATOM 671 C CB . ARG A 1 85 ? 23.162 -13.687 -20.530 1.00 9.15 ? 85 ARG A CB 1 ATOM 672 C CG . ARG A 1 85 ? 23.198 -13.940 -19.053 1.00 8.72 ? 85 ARG A CG 1 ATOM 673 C CD . ARG A 1 85 ? 24.142 -12.968 -18.420 1.00 6.99 ? 85 ARG A CD 1 ATOM 674 N NE . ARG A 1 85 ? 24.071 -13.069 -16.975 1.00 10.06 ? 85 ARG A NE 1 ATOM 675 C CZ . ARG A 1 85 ? 24.692 -12.244 -16.139 1.00 12.33 ? 85 ARG A CZ 1 ATOM 676 N NH1 . ARG A 1 85 ? 25.442 -11.254 -16.606 1.00 11.61 ? 85 ARG A NH1 1 ATOM 677 N NH2 . ARG A 1 85 ? 24.564 -12.410 -14.834 1.00 16.19 ? 85 ARG A NH2 1 ATOM 678 N N . LEU A 1 86 ? 23.196 -14.244 -23.575 1.00 11.10 ? 86 LEU A N 1 ATOM 679 C CA . LEU A 1 86 ? 23.098 -13.740 -24.951 1.00 11.29 ? 86 LEU A CA 1 ATOM 680 C C . LEU A 1 86 ? 22.034 -14.491 -25.701 1.00 10.78 ? 86 LEU A C 1 ATOM 681 O O . LEU A 1 86 ? 21.161 -13.894 -26.324 1.00 11.63 ? 86 LEU A O 1 ATOM 682 C CB . LEU A 1 86 ? 24.420 -13.887 -25.704 1.00 11.89 ? 86 LEU A CB 1 ATOM 683 C CG . LEU A 1 86 ? 25.433 -12.764 -25.506 1.00 13.41 ? 86 LEU A CG 1 ATOM 684 C CD1 . LEU A 1 86 ? 26.637 -12.949 -26.407 1.00 13.56 ? 86 LEU A CD1 1 ATOM 685 C CD2 . LEU A 1 86 ? 24.776 -11.427 -25.807 1.00 16.23 ? 86 LEU A CD2 1 ATOM 686 N N . ASP A 1 87 ? 22.103 -15.813 -25.627 1.00 10.34 ? 87 ASP A N 1 ATOM 687 C CA . ASP A 1 87 ? 21.160 -16.647 -26.332 1.00 10.01 ? 87 ASP A CA 1 ATOM 688 C C . ASP A 1 87 ? 19.719 -16.245 -26.016 1.00 9.35 ? 87 ASP A C 1 ATOM 689 O O . ASP A 1 87 ? 18.972 -15.826 -26.899 1.00 9.06 ? 87 ASP A O 1 ATOM 690 C CB . ASP A 1 87 ? 21.404 -18.102 -25.970 1.00 9.91 ? 87 ASP A CB 1 ATOM 691 C CG . ASP A 1 87 ? 20.452 -19.028 -26.663 1.00 11.34 ? 87 ASP A CG 1 ATOM 692 O OD1 . ASP A 1 87 ? 19.734 -18.580 -27.589 1.00 8.90 ? 87 ASP A OD1 1 ATOM 693 O OD2 . ASP A 1 87 ? 20.412 -20.211 -26.277 1.00 15.38 ? 87 ASP A OD2 1 ATOM 694 N N . ARG A 1 88 ? 19.343 -16.330 -24.749 1.00 8.35 ? 88 ARG A N 1 ATOM 695 C CA . ARG A 1 88 ? 17.976 -16.036 -24.373 1.00 8.00 ? 88 ARG A CA 1 ATOM 696 C C . ARG A 1 88 ? 17.503 -14.615 -24.726 1.00 8.27 ? 88 ARG A C 1 ATOM 697 O O . ARG A 1 88 ? 16.340 -14.430 -25.078 1.00 8.81 ? 88 ARG A O 1 ATOM 698 C CB . ARG A 1 88 ? 17.752 -16.368 -22.896 1.00 6.46 ? 88 ARG A CB 1 ATOM 699 C CG . ARG A 1 88 ? 17.924 -17.850 -22.610 1.00 4.37 ? 88 ARG A CG 1 ATOM 700 C CD . ARG A 1 88 ? 17.019 -18.353 -21.507 1.00 2.51 ? 88 ARG A CD 1 ATOM 701 N NE . ARG A 1 88 ? 17.200 -17.567 -20.298 1.00 4.84 ? 88 ARG A NE 1 ATOM 702 C CZ . ARG A 1 88 ? 18.307 -17.574 -19.570 1.00 6.85 ? 88 ARG A CZ 1 ATOM 703 N NH1 . ARG A 1 88 ? 19.330 -18.338 -19.933 1.00 6.37 ? 88 ARG A NH1 1 ATOM 704 N NH2 . ARG A 1 88 ? 18.390 -16.807 -18.486 1.00 8.66 ? 88 ARG A NH2 1 ATOM 705 N N . ASN A 1 89 ? 18.377 -13.616 -24.661 1.00 8.04 ? 89 ASN A N 1 ATOM 706 C CA . ASN A 1 89 ? 17.933 -12.259 -25.015 1.00 8.48 ? 89 ASN A CA 1 ATOM 707 C C . ASN A 1 89 ? 17.766 -12.119 -26.525 1.00 8.93 ? 89 ASN A C 1 ATOM 708 O O . ASN A 1 89 ? 16.737 -11.634 -26.994 1.00 8.62 ? 89 ASN A O 1 ATOM 709 C CB . ASN A 1 89 ? 18.896 -11.181 -24.489 1.00 8.14 ? 89 ASN A CB 1 ATOM 710 C CG . ASN A 1 89 ? 18.414 -10.537 -23.191 1.00 7.75 ? 89 ASN A CG 1 ATOM 711 O OD1 . ASN A 1 89 ? 17.221 -10.560 -22.857 1.00 7.82 ? 89 ASN A OD1 1 ATOM 712 N ND2 . ASN A 1 89 ? 19.346 -9.948 -22.456 1.00 6.76 ? 89 ASN A ND2 1 ATOM 713 N N . LEU A 1 90 ? 18.776 -12.562 -27.274 1.00 9.57 ? 90 LEU A N 1 ATOM 714 C CA . LEU A 1 90 ? 18.758 -12.522 -28.732 1.00 10.63 ? 90 LEU A CA 1 ATOM 715 C C . LEU A 1 90 ? 17.541 -13.258 -29.298 1.00 11.18 ? 90 LEU A C 1 ATOM 716 O O . LEU A 1 90 ? 16.915 -12.806 -30.266 1.00 9.36 ? 90 LEU A O 1 ATOM 717 C CB . LEU A 1 90 ? 20.024 -13.170 -29.279 1.00 11.18 ? 90 LEU A CB 1 ATOM 718 C CG . LEU A 1 90 ? 21.293 -12.323 -29.332 1.00 13.39 ? 90 LEU A CG 1 ATOM 719 C CD1 . LEU A 1 90 ? 22.465 -13.221 -29.664 1.00 15.82 ? 90 LEU A CD1 1 ATOM 720 C CD2 . LEU A 1 90 ? 21.184 -11.212 -30.368 1.00 13.73 ? 90 LEU A CD2 1 ATOM 721 N N . TRP A 1 91 ? 17.224 -14.396 -28.683 1.00 11.71 ? 91 TRP A N 1 ATOM 722 C CA . TRP A 1 91 ? 16.094 -15.197 -29.089 1.00 13.15 ? 91 TRP A CA 1 ATOM 723 C C . TRP A 1 91 ? 14.835 -14.400 -28.823 1.00 13.38 ? 91 TRP A C 1 ATOM 724 O O . TRP A 1 91 ? 13.952 -14.341 -29.670 1.00 13.67 ? 91 TRP A O 1 ATOM 725 C CB . TRP A 1 91 ? 16.079 -16.478 -28.280 1.00 14.93 ? 91 TRP A CB 1 ATOM 726 C CG . TRP A 1 91 ? 15.130 -17.536 -28.715 1.00 16.28 ? 91 TRP A CG 1 ATOM 727 C CD1 . TRP A 1 91 ? 13.995 -17.925 -28.073 1.00 18.73 ? 91 TRP A CD1 1 ATOM 728 C CD2 . TRP A 1 91 ? 15.292 -18.422 -29.820 1.00 18.72 ? 91 TRP A CD2 1 ATOM 729 N NE1 . TRP A 1 91 ? 13.424 -18.998 -28.715 1.00 19.77 ? 91 TRP A NE1 1 ATOM 730 C CE2 . TRP A 1 91 ? 14.198 -19.325 -29.796 1.00 20.08 ? 91 TRP A CE2 1 ATOM 731 C CE3 . TRP A 1 91 ? 16.250 -18.544 -30.836 1.00 18.28 ? 91 TRP A CE3 1 ATOM 732 C CZ2 . TRP A 1 91 ? 14.033 -20.330 -30.750 1.00 18.22 ? 91 TRP A CZ2 1 ATOM 733 C CZ3 . TRP A 1 91 ? 16.087 -19.548 -31.782 1.00 19.47 ? 91 TRP A CZ3 1 ATOM 734 C CH2 . TRP A 1 91 ? 14.984 -20.426 -31.732 1.00 19.15 ? 91 TRP A CH2 1 ATOM 735 N N . GLY A 1 92 ? 14.767 -13.762 -27.658 1.00 13.79 ? 92 GLY A N 1 ATOM 736 C CA . GLY A 1 92 ? 13.581 -12.998 -27.298 1.00 15.80 ? 92 GLY A CA 1 ATOM 737 C C . GLY A 1 92 ? 13.359 -11.852 -28.256 1.00 17.63 ? 92 GLY A C 1 ATOM 738 O O . GLY A 1 92 ? 12.223 -11.497 -28.585 1.00 17.67 ? 92 GLY A O 1 ATOM 739 N N . LEU A 1 93 ? 14.467 -11.285 -28.717 1.00 18.79 ? 93 LEU A N 1 ATOM 740 C CA . LEU A 1 93 ? 14.428 -10.171 -29.625 1.00 19.85 ? 93 LEU A CA 1 ATOM 741 C C . LEU A 1 93 ? 13.878 -10.572 -30.982 1.00 22.19 ? 93 LEU A C 1 ATOM 742 O O . LEU A 1 93 ? 13.115 -9.823 -31.581 1.00 22.78 ? 93 LEU A O 1 ATOM 743 C CB . LEU A 1 93 ? 15.825 -9.612 -29.807 1.00 18.82 ? 93 LEU A CB 1 ATOM 744 C CG . LEU A 1 93 ? 15.882 -8.095 -29.918 1.00 18.28 ? 93 LEU A CG 1 ATOM 745 C CD1 . LEU A 1 93 ? 15.425 -7.488 -28.598 1.00 17.73 ? 93 LEU A CD1 1 ATOM 746 C CD2 . LEU A 1 93 ? 17.303 -7.641 -30.247 1.00 19.39 ? 93 LEU A CD2 1 ATOM 747 N N . ALA A 1 94 ? 14.269 -11.747 -31.469 1.00 24.57 ? 94 ALA A N 1 ATOM 748 C CA . ALA A 1 94 ? 13.840 -12.200 -32.790 1.00 26.61 ? 94 ALA A CA 1 ATOM 749 C C . ALA A 1 94 ? 12.385 -12.622 -32.809 1.00 28.02 ? 94 ALA A C 1 ATOM 750 O O . ALA A 1 94 ? 11.616 -12.152 -33.640 1.00 29.38 ? 94 ALA A O 1 ATOM 751 C CB . ALA A 1 94 ? 14.709 -13.340 -33.267 1.00 26.98 ? 94 ALA A CB 1 ATOM 752 N N . GLY A 1 95 ? 12.010 -13.514 -31.900 1.00 28.82 ? 95 GLY A N 1 ATOM 753 C CA . GLY A 1 95 ? 10.644 -14.014 -31.859 1.00 29.45 ? 95 GLY A CA 1 ATOM 754 C C . GLY A 1 95 ? 10.332 -14.984 -32.980 1.00 30.28 ? 95 GLY A C 1 ATOM 755 O O . GLY A 1 95 ? 9.231 -14.982 -33.515 1.00 30.54 ? 95 GLY A O 1 ATOM 756 N N . LEU A 1 96 ? 11.304 -15.810 -33.348 1.00 32.06 ? 96 LEU A N 1 ATOM 757 C CA . LEU A 1 96 ? 11.090 -16.824 -34.372 1.00 34.01 ? 96 LEU A CA 1 ATOM 758 C C . LEU A 1 96 ? 11.190 -18.195 -33.729 1.00 36.00 ? 96 LEU A C 1 ATOM 759 O O . LEU A 1 96 ? 12.062 -18.420 -32.888 1.00 37.27 ? 96 LEU A O 1 ATOM 760 C CB . LEU A 1 96 ? 12.134 -16.692 -35.482 1.00 33.32 ? 96 LEU A CB 1 ATOM 761 C CG . LEU A 1 96 ? 12.285 -15.307 -36.122 1.00 33.68 ? 96 LEU A CG 1 ATOM 762 C CD1 . LEU A 1 96 ? 13.432 -15.284 -37.137 1.00 31.58 ? 96 LEU A CD1 1 ATOM 763 C CD2 . LEU A 1 96 ? 10.969 -14.869 -36.761 1.00 32.02 ? 96 LEU A CD2 1 ATOM 764 N N . ASN A 1 97 ? 10.298 -19.105 -34.116 1.00 37.36 ? 97 ASN A N 1 ATOM 765 C CA . ASN A 1 97 ? 10.305 -20.461 -33.573 1.00 38.28 ? 97 ASN A CA 1 ATOM 766 C C . ASN A 1 97 ? 11.490 -21.259 -34.085 1.00 38.79 ? 97 ASN A C 1 ATOM 767 O O . ASN A 1 97 ? 11.942 -22.202 -33.434 1.00 38.70 ? 97 ASN A O 1 ATOM 768 C CB . ASN A 1 97 ? 9.018 -21.194 -33.935 1.00 39.52 ? 97 ASN A CB 1 ATOM 769 C CG . ASN A 1 97 ? 7.786 -20.527 -33.362 1.00 41.65 ? 97 ASN A CG 1 ATOM 770 O OD1 . ASN A 1 97 ? 7.599 -20.482 -32.144 1.00 43.61 ? 97 ASN A OD1 1 ATOM 771 N ND2 . ASN A 1 97 ? 6.931 -20.013 -34.239 1.00 43.04 ? 97 ASN A ND2 1 ATOM 772 N N . SER A 1 98 ? 11.982 -20.888 -35.261 1.00 39.38 ? 98 SER A N 1 ATOM 773 C CA . SER A 1 98 ? 13.122 -21.573 -35.859 1.00 41.09 ? 98 SER A CA 1 ATOM 774 C C . SER A 1 98 ? 13.773 -20.738 -36.953 1.00 42.00 ? 98 SER A C 1 ATOM 775 O O . SER A 1 98 ? 13.115 -19.944 -37.626 1.00 42.45 ? 98 SER A O 1 ATOM 776 C CB . SER A 1 98 ? 12.708 -22.945 -36.409 1.00 41.07 ? 98 SER A CB 1 ATOM 777 O OG . SER A 1 98 ? 11.610 -22.844 -37.297 1.00 40.92 ? 98 SER A OG 1 ATOM 778 N N . CYS A 1 99 ? 15.077 -20.923 -37.115 1.00 42.69 ? 99 CYS A N 1 ATOM 779 C CA . CYS A 1 99 ? 15.845 -20.187 -38.103 1.00 44.22 ? 99 CYS A CA 1 ATOM 780 C C . CYS A 1 99 ? 17.073 -21.017 -38.465 1.00 46.67 ? 99 CYS A C 1 ATOM 781 O O . CYS A 1 99 ? 18.107 -20.942 -37.796 1.00 47.19 ? 99 CYS A O 1 ATOM 782 C CB . CYS A 1 99 ? 16.244 -18.816 -37.546 1.00 42.42 ? 99 CYS A CB 1 ATOM 783 S SG . CYS A 1 99 ? 17.089 -18.860 -35.921 1.00 41.39 ? 99 CYS A SG 1 ATOM 784 N N . PRO A 1 100 ? 16.963 -21.827 -39.536 1.00 48.45 ? 100 PRO A N 1 ATOM 785 C CA . PRO A 1 100 ? 18.030 -22.742 -39.926 1.00 49.57 ? 100 PRO A CA 1 ATOM 786 C C . PRO A 1 100 ? 19.301 -21.998 -40.263 1.00 51.03 ? 100 PRO A C 1 ATOM 787 O O . PRO A 1 100 ? 19.273 -21.016 -41.007 1.00 50.95 ? 100 PRO A O 1 ATOM 788 C CB . PRO A 1 100 ? 17.454 -23.436 -41.155 1.00 49.76 ? 100 PRO A CB 1 ATOM 789 C CG . PRO A 1 100 ? 16.554 -22.406 -41.746 1.00 49.29 ? 100 PRO A CG 1 ATOM 790 C CD . PRO A 1 100 ? 15.881 -21.821 -40.536 1.00 48.76 ? 100 PRO A CD 1 ATOM 791 N N . VAL A 1 101 ? 20.408 -22.470 -39.701 1.00 53.07 ? 101 VAL A N 1 ATOM 792 C CA . VAL A 1 101 ? 21.720 -21.872 -39.936 1.00 54.97 ? 101 VAL A CA 1 ATOM 793 C C . VAL A 1 101 ? 22.511 -22.714 -40.936 1.00 56.29 ? 101 VAL A C 1 ATOM 794 O O . VAL A 1 101 ? 23.580 -23.235 -40.624 1.00 56.30 ? 101 VAL A O 1 ATOM 795 C CB . VAL A 1 101 ? 22.527 -21.745 -38.628 1.00 54.61 ? 101 VAL A CB 1 ATOM 796 C CG1 . VAL A 1 101 ? 23.758 -20.890 -38.855 1.00 54.02 ? 101 VAL A CG1 1 ATOM 797 C CG2 . VAL A 1 101 ? 21.662 -21.160 -37.522 1.00 55.12 ? 101 VAL A CG2 1 ATOM 798 N N . LYS A 1 102 ? 21.973 -22.844 -42.142 1.00 58.10 ? 102 LYS A N 1 ATOM 799 C CA . LYS A 1 102 ? 22.628 -23.619 -43.184 1.00 59.98 ? 102 LYS A CA 1 ATOM 800 C C . LYS A 1 102 ? 23.751 -22.810 -43.807 1.00 60.58 ? 102 LYS A C 1 ATOM 801 O O . LYS A 1 102 ? 23.503 -21.911 -44.612 1.00 60.26 ? 102 LYS A O 1 ATOM 802 C CB . LYS A 1 102 ? 21.621 -24.038 -44.262 1.00 60.80 ? 102 LYS A CB 1 ATOM 803 C CG . LYS A 1 102 ? 20.728 -22.902 -44.755 1.00 61.97 ? 102 LYS A CG 1 ATOM 804 C CD . LYS A 1 102 ? 19.806 -23.362 -45.881 1.00 62.21 ? 102 LYS A CD 1 ATOM 805 C CE . LYS A 1 102 ? 18.754 -22.297 -46.165 1.00 62.11 ? 102 LYS A CE 1 ATOM 806 N NZ . LYS A 1 102 ? 19.359 -20.951 -46.517 1.00 61.92 ? 102 LYS A NZ 1 ATOM 807 N N . GLU A 1 103 ? 24.980 -23.125 -43.413 1.00 61.47 ? 103 GLU A N 1 ATOM 808 C CA . GLU A 1 103 ? 26.164 -22.460 -43.943 1.00 63.05 ? 103 GLU A CA 1 ATOM 809 C C . GLU A 1 103 ? 27.383 -23.302 -43.627 1.00 62.74 ? 103 GLU A C 1 ATOM 810 O O . GLU A 1 103 ? 27.285 -24.317 -42.934 1.00 62.80 ? 103 GLU A O 1 ATOM 811 C CB . GLU A 1 103 ? 26.327 -21.062 -43.337 1.00 64.52 ? 103 GLU A CB 1 ATOM 812 C CG . GLU A 1 103 ? 25.216 -20.085 -43.746 1.00 68.13 ? 103 GLU A CG 1 ATOM 813 C CD . GLU A 1 103 ? 25.338 -18.745 -43.054 1.00 71.44 ? 103 GLU A CD 1 ATOM 814 O OE1 . GLU A 1 103 ? 25.895 -18.696 -41.922 1.00 73.73 ? 103 GLU A OE1 1 ATOM 815 O OE2 . GLU A 1 103 ? 24.861 -17.742 -43.638 1.00 72.62 ? 103 GLU A OE2 1 ATOM 816 N N . ALA A 1 104 ? 28.536 -22.875 -44.129 1.00 62.19 ? 104 ALA A N 1 ATOM 817 C CA . ALA A 1 104 ? 29.754 -23.640 -43.933 1.00 61.74 ? 104 ALA A CA 1 ATOM 818 C C . ALA A 1 104 ? 30.939 -22.756 -43.584 1.00 60.74 ? 104 ALA A C 1 ATOM 819 O O . ALA A 1 104 ? 32.001 -23.265 -43.210 1.00 61.47 ? 104 ALA A O 1 ATOM 820 C CB . ALA A 1 104 ? 30.060 -24.482 -45.180 1.00 62.28 ? 104 ALA A CB 1 ATOM 821 N N . ASN A 1 105 ? 30.766 -21.440 -43.705 1.00 58.73 ? 105 ASN A N 1 ATOM 822 C CA . ASN A 1 105 ? 31.846 -20.506 -43.377 1.00 57.40 ? 105 ASN A CA 1 ATOM 823 C C . ASN A 1 105 ? 32.151 -20.525 -41.878 1.00 55.54 ? 105 ASN A C 1 ATOM 824 O O . ASN A 1 105 ? 31.394 -19.971 -41.085 1.00 56.48 ? 105 ASN A O 1 ATOM 825 C CB . ASN A 1 105 ? 31.468 -19.081 -43.794 1.00 58.29 ? 105 ASN A CB 1 ATOM 826 C CG . ASN A 1 105 ? 31.250 -18.942 -45.289 1.00 59.27 ? 105 ASN A CG 1 ATOM 827 O OD1 . ASN A 1 105 ? 30.518 -18.050 -45.737 1.00 59.11 ? 105 ASN A OD1 1 ATOM 828 N ND2 . ASN A 1 105 ? 31.889 -19.814 -46.071 1.00 60.03 ? 105 ASN A ND2 1 ATOM 829 N N . GLN A 1 106 ? 33.249 -21.161 -41.482 1.00 52.40 ? 106 GLN A N 1 ATOM 830 C CA . GLN A 1 106 ? 33.603 -21.208 -40.069 1.00 49.59 ? 106 GLN A CA 1 ATOM 831 C C . GLN A 1 106 ? 34.243 -19.915 -39.595 1.00 47.57 ? 106 GLN A C 1 ATOM 832 O O . GLN A 1 106 ? 34.646 -19.072 -40.401 1.00 47.83 ? 106 GLN A O 1 ATOM 833 C CB . GLN A 1 106 ? 34.529 -22.383 -39.778 1.00 49.96 ? 106 GLN A CB 1 ATOM 834 C CG . GLN A 1 106 ? 33.807 -23.704 -39.736 1.00 51.17 ? 106 GLN A CG 1 ATOM 835 C CD . GLN A 1 106 ? 32.884 -23.808 -38.552 1.00 51.28 ? 106 GLN A CD 1 ATOM 836 O OE1 . GLN A 1 106 ? 33.335 -23.885 -37.414 1.00 51.65 ? 106 GLN A OE1 1 ATOM 837 N NE2 . GLN A 1 106 ? 31.581 -23.802 -38.810 1.00 51.43 ? 106 GLN A NE2 1 ATOM 838 N N . SER A 1 107 ? 34.339 -19.770 -38.278 1.00 44.22 ? 107 SER A N 1 ATOM 839 C CA . SER A 1 107 ? 34.874 -18.563 -37.672 1.00 40.62 ? 107 SER A CA 1 ATOM 840 C C . SER A 1 107 ? 35.283 -18.854 -36.240 1.00 38.54 ? 107 SER A C 1 ATOM 841 O O . SER A 1 107 ? 34.789 -19.788 -35.621 1.00 38.36 ? 107 SER A O 1 ATOM 842 C CB . SER A 1 107 ? 33.810 -17.460 -37.698 1.00 40.64 ? 107 SER A CB 1 ATOM 843 O OG . SER A 1 107 ? 34.216 -16.304 -36.989 1.00 40.41 ? 107 SER A OG 1 ATOM 844 N N . THR A 1 108 ? 36.194 -18.047 -35.716 1.00 36.35 ? 108 THR A N 1 ATOM 845 C CA . THR A 1 108 ? 36.600 -18.168 -34.327 1.00 33.47 ? 108 THR A CA 1 ATOM 846 C C . THR A 1 108 ? 35.570 -17.407 -33.487 1.00 32.21 ? 108 THR A C 1 ATOM 847 O O . THR A 1 108 ? 35.213 -16.274 -33.814 1.00 31.36 ? 108 THR A O 1 ATOM 848 C CB . THR A 1 108 ? 38.047 -17.627 -34.132 1.00 32.67 ? 108 THR A CB 1 ATOM 849 O OG1 . THR A 1 108 ? 38.743 -18.471 -33.216 1.00 32.60 ? 108 THR A OG1 1 ATOM 850 C CG2 . THR A 1 108 ? 38.072 -16.199 -33.602 1.00 31.89 ? 108 THR A CG2 1 ATOM 851 N N . LEU A 1 109 ? 35.080 -18.037 -32.422 1.00 30.43 ? 109 LEU A N 1 ATOM 852 C CA . LEU A 1 109 ? 34.086 -17.411 -31.547 1.00 29.23 ? 109 LEU A CA 1 ATOM 853 C C . LEU A 1 109 ? 34.490 -16.002 -31.149 1.00 29.49 ? 109 LEU A C 1 ATOM 854 O O . LEU A 1 109 ? 33.636 -15.124 -30.986 1.00 29.24 ? 109 LEU A O 1 ATOM 855 C CB . LEU A 1 109 ? 33.861 -18.250 -30.288 1.00 27.86 ? 109 LEU A CB 1 ATOM 856 C CG . LEU A 1 109 ? 32.835 -17.734 -29.269 1.00 26.22 ? 109 LEU A CG 1 ATOM 857 C CD1 . LEU A 1 109 ? 31.530 -17.319 -29.919 1.00 23.41 ? 109 LEU A CD1 1 ATOM 858 C CD2 . LEU A 1 109 ? 32.573 -18.792 -28.232 1.00 24.14 ? 109 LEU A CD2 1 ATOM 859 N N . GLU A 1 110 ? 35.793 -15.793 -30.994 1.00 29.86 ? 110 GLU A N 1 ATOM 860 C CA . GLU A 1 110 ? 36.313 -14.489 -30.640 1.00 30.45 ? 110 GLU A CA 1 ATOM 861 C C . GLU A 1 110 ? 35.915 -13.445 -31.684 1.00 29.85 ? 110 GLU A C 1 ATOM 862 O O . GLU A 1 110 ? 35.410 -12.381 -31.323 1.00 30.17 ? 110 GLU A O 1 ATOM 863 C CB . GLU A 1 110 ? 37.829 -14.552 -30.488 1.00 32.26 ? 110 GLU A CB 1 ATOM 864 C CG . GLU A 1 110 ? 38.486 -13.208 -30.205 1.00 35.59 ? 110 GLU A CG 1 ATOM 865 C CD . GLU A 1 110 ? 39.974 -13.338 -29.956 1.00 38.05 ? 110 GLU A CD 1 ATOM 866 O OE1 . GLU A 1 110 ? 40.356 -13.911 -28.914 1.00 38.52 ? 110 GLU A OE1 1 ATOM 867 O OE2 . GLU A 1 110 ? 40.759 -12.874 -30.808 1.00 40.10 ? 110 GLU A OE2 1 ATOM 868 N N . ASN A 1 111 ? 36.127 -13.745 -32.967 1.00 28.34 ? 111 ASN A N 1 ATOM 869 C CA . ASN A 1 111 ? 35.722 -12.823 -34.033 1.00 27.20 ? 111 ASN A CA 1 ATOM 870 C C . ASN A 1 111 ? 34.211 -12.726 -34.169 1.00 26.56 ? 111 ASN A C 1 ATOM 871 O O . ASN A 1 111 ? 33.680 -11.682 -34.539 1.00 27.39 ? 111 ASN A O 1 ATOM 872 C CB . ASN A 1 111 ? 36.287 -13.242 -35.384 1.00 27.26 ? 111 ASN A CB 1 ATOM 873 C CG . ASN A 1 111 ? 37.765 -13.451 -35.352 1.00 27.34 ? 111 ASN A CG 1 ATOM 874 O OD1 . ASN A 1 111 ? 38.507 -12.700 -34.709 1.00 25.49 ? 111 ASN A OD1 1 ATOM 875 N ND2 . ASN A 1 111 ? 38.219 -14.478 -36.060 1.00 29.05 ? 111 ASN A ND2 1 ATOM 876 N N . PHE A 1 112 ? 33.530 -13.836 -33.900 1.00 24.99 ? 112 PHE A N 1 ATOM 877 C CA . PHE A 1 112 ? 32.082 -13.908 -33.973 1.00 22.38 ? 112 PHE A CA 1 ATOM 878 C C . PHE A 1 112 ? 31.491 -12.926 -32.978 1.00 20.97 ? 112 PHE A C 1 ATOM 879 O O . PHE A 1 112 ? 30.618 -12.136 -33.320 1.00 20.52 ? 112 PHE A O 1 ATOM 880 C CB . PHE A 1 112 ? 31.633 -15.323 -33.624 1.00 23.45 ? 112 PHE A CB 1 ATOM 881 C CG . PHE A 1 112 ? 30.142 -15.542 -33.707 1.00 23.76 ? 112 PHE A CG 1 ATOM 882 C CD1 . PHE A 1 112 ? 29.533 -15.832 -34.923 1.00 23.94 ? 112 PHE A CD1 1 ATOM 883 C CD2 . PHE A 1 112 ? 29.354 -15.505 -32.563 1.00 23.39 ? 112 PHE A CD2 1 ATOM 884 C CE1 . PHE A 1 112 ? 28.165 -16.076 -35.001 1.00 23.92 ? 112 PHE A CE1 1 ATOM 885 C CE2 . PHE A 1 112 ? 27.984 -15.735 -32.636 1.00 24.60 ? 112 PHE A CE2 1 ATOM 886 C CZ . PHE A 1 112 ? 27.390 -16.022 -33.860 1.00 24.47 ? 112 PHE A CZ 1 ATOM 887 N N . LEU A 1 113 ? 31.969 -12.975 -31.742 1.00 19.24 ? 113 LEU A N 1 ATOM 888 C CA . LEU A 1 113 ? 31.478 -12.063 -30.723 1.00 18.88 ? 113 LEU A CA 1 ATOM 889 C C . LEU A 1 113 ? 31.851 -10.630 -31.047 1.00 20.16 ? 113 LEU A C 1 ATOM 890 O O . LEU A 1 113 ? 31.050 -9.714 -30.872 1.00 20.62 ? 113 LEU A O 1 ATOM 891 C CB . LEU A 1 113 ? 32.033 -12.437 -29.353 1.00 16.50 ? 113 LEU A CB 1 ATOM 892 C CG . LEU A 1 113 ? 31.589 -13.804 -28.859 1.00 13.35 ? 113 LEU A CG 1 ATOM 893 C CD1 . LEU A 1 113 ? 32.315 -14.175 -27.584 1.00 9.47 ? 113 LEU A CD1 1 ATOM 894 C CD2 . LEU A 1 113 ? 30.084 -13.783 -28.659 1.00 12.33 ? 113 LEU A CD2 1 ATOM 895 N N . GLU A 1 114 ? 33.070 -10.439 -31.525 1.00 21.11 ? 114 GLU A N 1 ATOM 896 C CA . GLU A 1 114 ? 33.525 -9.118 -31.868 1.00 23.59 ? 114 GLU A CA 1 ATOM 897 C C . GLU A 1 114 ? 32.697 -8.524 -33.002 1.00 24.06 ? 114 GLU A C 1 ATOM 898 O O . GLU A 1 114 ? 32.405 -7.332 -32.995 1.00 25.03 ? 114 GLU A O 1 ATOM 899 C CB . GLU A 1 114 ? 34.998 -9.167 -32.247 1.00 25.81 ? 114 GLU A CB 1 ATOM 900 C CG . GLU A 1 114 ? 35.638 -7.809 -32.442 1.00 31.01 ? 114 GLU A CG 1 ATOM 901 C CD . GLU A 1 114 ? 35.677 -6.985 -31.171 1.00 33.99 ? 114 GLU A CD 1 ATOM 902 O OE1 . GLU A 1 114 ? 35.778 -7.580 -30.072 1.00 33.16 ? 114 GLU A OE1 1 ATOM 903 O OE2 . GLU A 1 114 ? 35.627 -5.737 -31.282 1.00 38.74 ? 114 GLU A OE2 1 ATOM 904 N N . ARG A 1 115 ? 32.306 -9.361 -33.961 1.00 24.20 ? 115 ARG A N 1 ATOM 905 C CA . ARG A 1 115 ? 31.519 -8.916 -35.106 1.00 25.45 ? 115 ARG A CA 1 ATOM 906 C C . ARG A 1 115 ? 30.095 -8.616 -34.654 1.00 24.95 ? 115 ARG A C 1 ATOM 907 O O . ARG A 1 115 ? 29.533 -7.556 -34.945 1.00 25.36 ? 115 ARG A O 1 ATOM 908 C CB . ARG A 1 115 ? 31.517 -9.997 -36.180 1.00 27.01 ? 115 ARG A CB 1 ATOM 909 C CG . ARG A 1 115 ? 31.474 -9.481 -37.605 1.00 32.56 ? 115 ARG A CG 1 ATOM 910 C CD . ARG A 1 115 ? 31.407 -10.681 -38.546 1.00 40.72 ? 115 ARG A CD 1 ATOM 911 N NE . ARG A 1 115 ? 31.546 -10.378 -39.976 1.00 46.03 ? 115 ARG A NE 1 ATOM 912 C CZ . ARG A 1 115 ? 30.692 -9.648 -40.698 1.00 48.73 ? 115 ARG A CZ 1 ATOM 913 N NH1 . ARG A 1 115 ? 29.618 -9.098 -40.136 1.00 49.66 ? 115 ARG A NH1 1 ATOM 914 N NH2 . ARG A 1 115 ? 30.916 -9.471 -41.997 1.00 49.38 ? 115 ARG A NH2 1 ATOM 915 N N . LEU A 1 116 ? 29.525 -9.566 -33.924 1.00 23.56 ? 116 LEU A N 1 ATOM 916 C CA . LEU A 1 116 ? 28.198 -9.436 -33.349 1.00 21.49 ? 116 LEU A CA 1 ATOM 917 C C . LEU A 1 116 ? 28.071 -8.188 -32.475 1.00 21.45 ? 116 LEU A C 1 ATOM 918 O O . LEU A 1 116 ? 27.035 -7.522 -32.501 1.00 21.92 ? 116 LEU A O 1 ATOM 919 C CB . LEU A 1 116 ? 27.909 -10.678 -32.512 1.00 20.34 ? 116 LEU A CB 1 ATOM 920 C CG . LEU A 1 116 ? 26.556 -10.830 -31.826 1.00 19.12 ? 116 LEU A CG 1 ATOM 921 C CD1 . LEU A 1 116 ? 25.429 -10.722 -32.832 1.00 17.91 ? 116 LEU A CD1 1 ATOM 922 C CD2 . LEU A 1 116 ? 26.515 -12.177 -31.127 1.00 18.13 ? 116 LEU A CD2 1 ATOM 923 N N . LYS A 1 117 ? 29.116 -7.875 -31.703 1.00 20.23 ? 117 LYS A N 1 ATOM 924 C CA . LYS A 1 117 ? 29.103 -6.696 -30.839 1.00 19.08 ? 117 LYS A CA 1 ATOM 925 C C . LYS A 1 117 ? 28.942 -5.438 -31.664 1.00 19.12 ? 117 LYS A C 1 ATOM 926 O O . LYS A 1 117 ? 28.217 -4.522 -31.275 1.00 17.98 ? 117 LYS A O 1 ATOM 927 C CB . LYS A 1 117 ? 30.385 -6.597 -30.019 1.00 19.63 ? 117 LYS A CB 1 ATOM 928 C CG . LYS A 1 117 ? 30.393 -5.436 -29.017 1.00 18.44 ? 117 LYS A CG 1 ATOM 929 C CD . LYS A 1 117 ? 31.668 -5.406 -28.190 1.00 18.02 ? 117 LYS A CD 1 ATOM 930 C CE . LYS A 1 117 ? 32.864 -4.995 -29.022 1.00 18.58 ? 117 LYS A CE 1 ATOM 931 N NZ . LYS A 1 117 ? 34.108 -5.051 -28.207 1.00 21.39 ? 117 LYS A NZ 1 ATOM 932 N N . THR A 1 118 ? 29.622 -5.395 -32.805 1.00 19.45 ? 118 THR A N 1 ATOM 933 C CA . THR A 1 118 ? 29.490 -4.267 -33.716 1.00 19.74 ? 118 THR A CA 1 ATOM 934 C C . THR A 1 118 ? 28.073 -4.186 -34.298 1.00 19.84 ? 118 THR A C 1 ATOM 935 O O . THR A 1 118 ? 27.483 -3.107 -34.385 1.00 21.31 ? 118 THR A O 1 ATOM 936 C CB . THR A 1 118 ? 30.542 -4.337 -34.829 1.00 19.54 ? 118 THR A CB 1 ATOM 937 O OG1 . THR A 1 118 ? 31.821 -4.020 -34.271 1.00 19.93 ? 118 THR A OG1 1 ATOM 938 C CG2 . THR A 1 118 ? 30.226 -3.347 -35.932 1.00 18.90 ? 118 THR A CG2 1 ATOM 939 N N . ILE A 1 119 ? 27.514 -5.324 -34.680 1.00 17.95 ? 119 ILE A N 1 ATOM 940 C CA . ILE A 1 119 ? 26.169 -5.322 -35.219 1.00 17.21 ? 119 ILE A CA 1 ATOM 941 C C . ILE A 1 119 ? 25.177 -4.810 -34.176 1.00 17.64 ? 119 ILE A C 1 ATOM 942 O O . ILE A 1 119 ? 24.238 -4.089 -34.503 1.00 17.09 ? 119 ILE A O 1 ATOM 943 C CB . ILE A 1 119 ? 25.765 -6.729 -35.713 1.00 16.84 ? 119 ILE A CB 1 ATOM 944 C CG1 . ILE A 1 119 ? 26.512 -7.048 -36.998 1.00 15.63 ? 119 ILE A CG1 1 ATOM 945 C CG2 . ILE A 1 119 ? 24.264 -6.814 -35.981 1.00 15.59 ? 119 ILE A CG2 1 ATOM 946 C CD1 . ILE A 1 119 ? 26.160 -8.386 -37.572 1.00 18.10 ? 119 ILE A CD1 1 ATOM 947 N N . MET A 1 120 ? 25.397 -5.165 -32.917 1.00 17.34 ? 120 MET A N 1 ATOM 948 C CA . MET A 1 120 ? 24.474 -4.770 -31.873 1.00 18.51 ? 120 MET A CA 1 ATOM 949 C C . MET A 1 120 ? 24.607 -3.302 -31.511 1.00 19.96 ? 120 MET A C 1 ATOM 950 O O . MET A 1 120 ? 23.602 -2.612 -31.344 1.00 20.38 ? 120 MET A O 1 ATOM 951 C CB . MET A 1 120 ? 24.658 -5.651 -30.642 1.00 18.75 ? 120 MET A CB 1 ATOM 952 C CG . MET A 1 120 ? 24.333 -7.113 -30.917 1.00 19.86 ? 120 MET A CG 1 ATOM 953 S SD . MET A 1 120 ? 22.668 -7.328 -31.605 1.00 19.59 ? 120 MET A SD 1 ATOM 954 C CE . MET A 1 120 ? 23.031 -8.215 -33.113 1.00 19.50 ? 120 MET A CE 1 ATOM 955 N N . ARG A 1 121 ? 25.841 -2.823 -31.400 1.00 21.71 ? 121 ARG A N 1 ATOM 956 C CA . ARG A 1 121 ? 26.084 -1.426 -31.075 1.00 23.19 ? 121 ARG A CA 1 ATOM 957 C C . ARG A 1 121 ? 25.526 -0.497 -32.148 1.00 24.01 ? 121 ARG A C 1 ATOM 958 O O . ARG A 1 121 ? 25.008 0.575 -31.841 1.00 23.04 ? 121 ARG A O 1 ATOM 959 C CB . ARG A 1 121 ? 27.578 -1.175 -30.919 1.00 24.15 ? 121 ARG A CB 1 ATOM 960 C CG . ARG A 1 121 ? 28.167 -1.669 -29.615 1.00 25.48 ? 121 ARG A CG 1 ATOM 961 C CD . ARG A 1 121 ? 29.648 -1.421 -29.620 1.00 25.71 ? 121 ARG A CD 1 ATOM 962 N NE . ARG A 1 121 ? 30.200 -1.345 -28.278 1.00 27.47 ? 121 ARG A NE 1 ATOM 963 C CZ . ARG A 1 121 ? 31.501 -1.265 -28.019 1.00 29.33 ? 121 ARG A CZ 1 ATOM 964 N NH1 . ARG A 1 121 ? 32.384 -1.263 -29.010 1.00 28.48 ? 121 ARG A NH1 1 ATOM 965 N NH2 . ARG A 1 121 ? 31.920 -1.184 -26.766 1.00 30.78 ? 121 ARG A NH2 1 ATOM 966 N N . GLU A 1 122 ? 25.642 -0.907 -33.409 1.00 25.35 ? 122 GLU A N 1 ATOM 967 C CA . GLU A 1 122 ? 25.103 -0.120 -34.504 1.00 27.75 ? 122 GLU A CA 1 ATOM 968 C C . GLU A 1 122 ? 23.581 -0.084 -34.412 1.00 29.01 ? 122 GLU A C 1 ATOM 969 O O . GLU A 1 122 ? 22.972 0.966 -34.582 1.00 29.75 ? 122 GLU A O 1 ATOM 970 C CB . GLU A 1 122 ? 25.536 -0.706 -35.841 1.00 28.14 ? 122 GLU A CB 1 ATOM 971 C CG . GLU A 1 122 ? 25.069 0.097 -37.041 1.00 30.39 ? 122 GLU A CG 1 ATOM 972 C CD . GLU A 1 122 ? 25.611 -0.459 -38.343 1.00 33.95 ? 122 GLU A CD 1 ATOM 973 O OE1 . GLU A 1 122 ? 25.248 -1.600 -38.710 1.00 35.84 ? 122 GLU A OE1 1 ATOM 974 O OE2 . GLU A 1 122 ? 26.406 0.240 -39.002 1.00 35.62 ? 122 GLU A OE2 1 ATOM 975 N N . LYS A 1 123 ? 22.983 -1.242 -34.132 1.00 30.13 ? 123 LYS A N 1 ATOM 976 C CA . LYS A 1 123 ? 21.539 -1.374 -33.997 1.00 30.09 ? 123 LYS A CA 1 ATOM 977 C C . LYS A 1 123 ? 21.060 -0.412 -32.921 1.00 30.27 ? 123 LYS A C 1 ATOM 978 O O . LYS A 1 123 ? 20.050 0.271 -33.087 1.00 29.52 ? 123 LYS A O 1 ATOM 979 C CB . LYS A 1 123 ? 21.183 -2.806 -33.595 1.00 30.79 ? 123 LYS A CB 1 ATOM 980 C CG . LYS A 1 123 ? 19.814 -3.299 -34.069 1.00 34.12 ? 123 LYS A CG 1 ATOM 981 C CD . LYS A 1 123 ? 18.677 -2.344 -33.656 1.00 38.89 ? 123 LYS A CD 1 ATOM 982 C CE . LYS A 1 123 ? 17.278 -2.851 -34.012 1.00 38.69 ? 123 LYS A CE 1 ATOM 983 N NZ . LYS A 1 123 ? 16.280 -1.757 -33.813 1.00 39.47 ? 123 LYS A NZ 1 ATOM 984 N N . TYR A 1 124 ? 21.800 -0.363 -31.816 1.00 30.91 ? 124 TYR A N 1 ATOM 985 C CA . TYR A 1 124 ? 21.456 0.511 -30.704 1.00 31.89 ? 124 TYR A CA 1 ATOM 986 C C . TYR A 1 124 ? 21.557 1.983 -31.094 1.00 32.92 ? 124 TYR A C 1 ATOM 987 O O . TYR A 1 124 ? 20.640 2.771 -30.839 1.00 32.44 ? 124 TYR A O 1 ATOM 988 C CB . TYR A 1 124 ? 22.336 0.218 -29.485 1.00 31.56 ? 124 TYR A CB 1 ATOM 989 C CG . TYR A 1 124 ? 21.953 1.044 -28.284 1.00 32.29 ? 124 TYR A CG 1 ATOM 990 C CD1 . TYR A 1 124 ? 20.779 0.780 -27.576 1.00 32.73 ? 124 TYR A CD1 1 ATOM 991 C CD2 . TYR A 1 124 ? 22.735 2.119 -27.880 1.00 33.03 ? 124 TYR A CD2 1 ATOM 992 C CE1 . TYR A 1 124 ? 20.396 1.566 -26.492 1.00 33.75 ? 124 TYR A CE1 1 ATOM 993 C CE2 . TYR A 1 124 ? 22.361 2.916 -26.800 1.00 35.01 ? 124 TYR A CE2 1 ATOM 994 C CZ . TYR A 1 124 ? 21.191 2.634 -26.112 1.00 35.38 ? 124 TYR A CZ 1 ATOM 995 O OH . TYR A 1 124 ? 20.817 3.428 -25.047 1.00 37.81 ? 124 TYR A OH 1 ATOM 996 N N . SER A 1 125 ? 22.663 2.343 -31.738 1.00 34.43 ? 125 SER A N 1 ATOM 997 C CA . SER A 1 125 ? 22.887 3.717 -32.167 1.00 35.57 ? 125 SER A CA 1 ATOM 998 C C . SER A 1 125 ? 21.805 4.247 -33.087 1.00 37.83 ? 125 SER A C 1 ATOM 999 O O . SER A 1 125 ? 21.728 5.452 -33.301 1.00 37.87 ? 125 SER A O 1 ATOM 1000 C CB . SER A 1 125 ? 24.231 3.842 -32.874 1.00 34.49 ? 125 SER A CB 1 ATOM 1001 O OG . SER A 1 125 ? 24.198 3.190 -34.127 1.00 32.28 ? 125 SER A OG 1 ATOM 1002 N N . LYS A 1 126 ? 20.975 3.362 -33.634 1.00 40.93 ? 126 LYS A N 1 ATOM 1003 C CA . LYS A 1 126 ? 19.927 3.795 -34.549 1.00 44.66 ? 126 LYS A CA 1 ATOM 1004 C C . LYS A 1 126 ? 18.713 4.377 -33.846 1.00 48.17 ? 126 LYS A C 1 ATOM 1005 O O . LYS A 1 126 ? 18.341 5.524 -34.078 1.00 49.74 ? 126 LYS A O 1 ATOM 1006 C CB . LYS A 1 126 ? 19.487 2.660 -35.466 1.00 43.82 ? 126 LYS A CB 1 ATOM 1007 C CG . LYS A 1 126 ? 20.531 2.211 -36.463 1.00 43.89 ? 126 LYS A CG 1 ATOM 1008 C CD . LYS A 1 126 ? 21.073 3.363 -37.286 1.00 45.29 ? 126 LYS A CD 1 ATOM 1009 C CE . LYS A 1 126 ? 21.410 2.915 -38.702 1.00 46.69 ? 126 LYS A CE 1 ATOM 1010 N NZ . LYS A 1 126 ? 22.132 1.605 -38.738 1.00 47.61 ? 126 LYS A NZ 1 ATOM 1011 N N . CYS A 1 127 ? 18.096 3.579 -32.992 1.00 51.78 ? 127 CYS A N 1 ATOM 1012 C CA . CYS A 1 127 ? 16.878 3.971 -32.286 1.00 56.21 ? 127 CYS A CA 1 ATOM 1013 C C . CYS A 1 127 ? 17.115 5.086 -31.262 1.00 57.44 ? 127 CYS A C 1 ATOM 1014 O O . CYS A 1 127 ? 18.209 5.205 -30.718 1.00 57.65 ? 127 CYS A O 1 ATOM 1015 C CB . CYS A 1 127 ? 16.320 2.731 -31.600 1.00 58.01 ? 127 CYS A CB 1 ATOM 1016 S SG . CYS A 1 127 ? 17.677 1.572 -31.212 1.00 61.92 ? 127 CYS A SG 1 ATOM 1017 N N . SER A 1 128 ? 16.090 5.899 -31.006 1.00 59.22 ? 128 SER A N 1 ATOM 1018 C CA . SER A 1 128 ? 16.198 6.997 -30.034 1.00 61.07 ? 128 SER A CA 1 ATOM 1019 C C . SER A 1 128 ? 14.842 7.532 -29.575 1.00 61.63 ? 128 SER A C 1 ATOM 1020 O O . SER A 1 128 ? 14.634 7.676 -28.353 1.00 61.84 ? 128 SER A O 1 ATOM 1021 C CB . SER A 1 128 ? 17.026 8.157 -30.604 1.00 61.86 ? 128 SER A CB 1 ATOM 1022 O OG . SER A 1 128 ? 17.256 9.156 -29.619 1.00 62.40 ? 128 SER A OG 1 ATOM 1023 N N . ALA B 2 1 ? -15.871 -28.289 -3.237 1.00 27.31 ? -2 ALA B N 1 ATOM 1024 C CA . ALA B 2 1 ? -15.414 -28.506 -4.629 1.00 27.91 ? -2 ALA B CA 1 ATOM 1025 C C . ALA B 2 1 ? -14.014 -27.936 -4.680 1.00 27.72 ? -2 ALA B C 1 ATOM 1026 O O . ALA B 2 1 ? -13.058 -28.632 -5.037 1.00 27.85 ? -2 ALA B O 1 ATOM 1027 C CB . ALA B 2 1 ? -16.323 -27.764 -5.603 1.00 27.92 ? -2 ALA B CB 1 ATOM 1028 N N . ASP B 2 2 ? -13.899 -26.673 -4.279 1.00 26.94 ? -1 ASP B N 1 ATOM 1029 C CA . ASP B 2 2 ? -12.632 -25.948 -4.354 1.00 27.03 ? -1 ASP B CA 1 ATOM 1030 C C . ASP B 2 2 ? -12.324 -25.321 -2.966 1.00 22.55 ? -1 ASP B C 1 ATOM 1031 O O . ASP B 2 2 ? -12.367 -24.108 -2.805 1.00 22.70 ? -1 ASP B O 1 ATOM 1032 C CB . ASP B 2 2 ? -12.776 -24.913 -5.501 1.00 31.31 ? -1 ASP B CB 1 ATOM 1033 C CG . ASP B 2 2 ? -11.528 -24.033 -5.713 1.00 38.78 ? -1 ASP B CG 1 ATOM 1034 O OD1 . ASP B 2 2 ? -10.344 -24.440 -5.421 1.00 45.95 ? -1 ASP B OD1 1 ATOM 1035 O OD2 . ASP B 2 2 ? -11.760 -22.890 -6.210 1.00 43.07 ? -1 ASP B OD2 1 ATOM 1036 N N . PRO B 2 3 ? -12.004 -26.154 -1.952 1.00 18.17 ? 0 PRO B N 1 ATOM 1037 C CA . PRO B 2 3 ? -11.832 -25.671 -0.576 1.00 16.41 ? 0 PRO B CA 1 ATOM 1038 C C . PRO B 2 3 ? -10.878 -24.506 -0.476 1.00 14.64 ? 0 PRO B C 1 ATOM 1039 O O . PRO B 2 3 ? -11.160 -23.503 0.173 1.00 15.28 ? 0 PRO B O 1 ATOM 1040 C CB . PRO B 2 3 ? -11.252 -26.877 0.159 1.00 15.10 ? 0 PRO B CB 1 ATOM 1041 C CG . PRO B 2 3 ? -11.701 -28.029 -0.625 1.00 16.28 ? 0 PRO B CG 1 ATOM 1042 C CD . PRO B 2 3 ? -11.623 -27.569 -2.055 1.00 17.52 ? 0 PRO B CD 1 ATOM 1043 N N . PHE B 2 4 ? -9.738 -24.648 -1.126 1.00 13.17 ? 1 PHE B N 1 ATOM 1044 C CA . PHE B 2 4 ? -8.734 -23.616 -1.088 1.00 10.77 ? 1 PHE B CA 1 ATOM 1045 C C . PHE B 2 4 ? -8.851 -22.672 -2.258 1.00 10.59 ? 1 PHE B C 1 ATOM 1046 O O . PHE B 2 4 ? -8.859 -23.091 -3.423 1.00 9.19 ? 1 PHE B O 1 ATOM 1047 C CB . PHE B 2 4 ? -7.363 -24.250 -1.044 1.00 8.85 ? 1 PHE B CB 1 ATOM 1048 C CG . PHE B 2 4 ? -7.071 -24.950 0.248 1.00 6.58 ? 1 PHE B CG 1 ATOM 1049 C CD1 . PHE B 2 4 ? -7.029 -24.238 1.443 1.00 6.39 ? 1 PHE B CD1 1 ATOM 1050 C CD2 . PHE B 2 4 ? -6.793 -26.314 0.270 1.00 6.15 ? 1 PHE B CD2 1 ATOM 1051 C CE1 . PHE B 2 4 ? -6.727 -24.875 2.652 1.00 6.60 ? 1 PHE B CE1 1 ATOM 1052 C CE2 . PHE B 2 4 ? -6.471 -26.963 1.467 1.00 6.62 ? 1 PHE B CE2 1 ATOM 1053 C CZ . PHE B 2 4 ? -6.443 -26.241 2.662 1.00 7.14 ? 1 PHE B CZ 1 ATOM 1054 N N . LYS B 2 5 ? -8.958 -21.387 -1.936 1.00 10.15 ? 2 LYS B N 1 ATOM 1055 C CA . LYS B 2 5 ? -9.118 -20.379 -2.960 1.00 10.21 ? 2 LYS B CA 1 ATOM 1056 C C . LYS B 2 5 ? -8.144 -19.205 -2.857 1.00 11.57 ? 2 LYS B C 1 ATOM 1057 O O . LYS B 2 5 ? -7.890 -18.673 -1.774 1.00 11.53 ? 2 LYS B O 1 ATOM 1058 C CB . LYS B 2 5 ? -10.549 -19.858 -2.932 1.00 9.35 ? 2 LYS B CB 1 ATOM 1059 C CG . LYS B 2 5 ? -11.596 -20.923 -3.107 1.00 10.01 ? 2 LYS B CG 1 ATOM 1060 C CD . LYS B 2 5 ? -12.977 -20.352 -2.878 1.00 12.68 ? 2 LYS B CD 1 ATOM 1061 C CE . LYS B 2 5 ? -14.052 -21.400 -3.056 1.00 14.37 ? 2 LYS B CE 1 ATOM 1062 N NZ . LYS B 2 5 ? -13.991 -22.370 -1.931 1.00 15.63 ? 2 LYS B NZ 1 ATOM 1063 N N . VAL B 2 6 ? -7.609 -18.788 -3.995 1.00 12.50 ? 3 VAL B N 1 ATOM 1064 C CA . VAL B 2 6 ? -6.787 -17.587 -4.021 1.00 13.75 ? 3 VAL B CA 1 ATOM 1065 C C . VAL B 2 6 ? -7.710 -16.385 -4.225 1.00 14.74 ? 3 VAL B C 1 ATOM 1066 O O . VAL B 2 6 ? -8.367 -16.275 -5.254 1.00 15.01 ? 3 VAL B O 1 ATOM 1067 C CB . VAL B 2 6 ? -5.760 -17.639 -5.151 1.00 12.97 ? 3 VAL B CB 1 ATOM 1068 C CG1 . VAL B 2 6 ? -4.739 -16.561 -4.963 1.00 12.99 ? 3 VAL B CG1 1 ATOM 1069 C CG2 . VAL B 2 6 ? -5.073 -18.978 -5.157 1.00 13.60 ? 3 VAL B CG2 1 ATOM 1070 N N . LEU B 2 7 ? -7.753 -15.487 -3.243 1.00 15.37 ? 4 LEU B N 1 ATOM 1071 C CA . LEU B 2 7 ? -8.617 -14.307 -3.297 1.00 15.40 ? 4 LEU B CA 1 ATOM 1072 C C . LEU B 2 7 ? -8.335 -13.336 -4.431 1.00 17.03 ? 4 LEU B C 1 ATOM 1073 O O . LEU B 2 7 ? -9.243 -12.956 -5.164 1.00 17.49 ? 4 LEU B O 1 ATOM 1074 C CB . LEU B 2 7 ? -8.553 -13.547 -1.979 1.00 13.78 ? 4 LEU B CB 1 ATOM 1075 C CG . LEU B 2 7 ? -9.121 -14.291 -0.777 1.00 12.11 ? 4 LEU B CG 1 ATOM 1076 C CD1 . LEU B 2 7 ? -8.920 -13.442 0.454 1.00 11.13 ? 4 LEU B CD1 1 ATOM 1077 C CD2 . LEU B 2 7 ? -10.590 -14.618 -0.984 1.00 10.48 ? 4 LEU B CD2 1 ATOM 1078 N N . GLN B 2 8 ? -7.087 -12.905 -4.562 1.00 19.51 ? 5 GLN B N 1 ATOM 1079 C CA . GLN B 2 8 ? -6.727 -11.961 -5.621 1.00 21.49 ? 5 GLN B CA 1 ATOM 1080 C C . GLN B 2 8 ? -5.532 -12.476 -6.407 1.00 20.88 ? 5 GLN B C 1 ATOM 1081 O O . GLN B 2 8 ? -4.776 -13.345 -5.938 1.00 19.24 ? 5 GLN B O 1 ATOM 1082 C CB . GLN B 2 8 ? -6.381 -10.583 -5.037 1.00 24.42 ? 5 GLN B CB 1 ATOM 1083 C CG . GLN B 2 8 ? -7.484 -9.913 -4.250 1.00 30.30 ? 5 GLN B CG 1 ATOM 1084 C CD . GLN B 2 8 ? -8.702 -9.629 -5.107 1.00 36.21 ? 5 GLN B CD 1 ATOM 1085 O OE1 . GLN B 2 8 ? -8.579 -9.229 -6.267 1.00 40.64 ? 5 GLN B OE1 1 ATOM 1086 N NE2 . GLN B 2 8 ? -9.886 -9.837 -4.540 1.00 37.65 ? 5 GLN B NE2 1 ATOM 1087 N N . GLU B 2 9 ? -5.359 -11.925 -7.604 1.00 21.11 ? 6 GLU B N 1 ATOM 1088 C CA . GLU B 2 9 ? -4.226 -12.277 -8.441 1.00 20.98 ? 6 GLU B CA 1 ATOM 1089 C C . GLU B 2 9 ? -2.955 -12.214 -7.593 1.00 20.33 ? 6 GLU B C 1 ATOM 1090 O O . GLU B 2 9 ? -2.719 -11.229 -6.890 1.00 20.37 ? 6 GLU B O 1 ATOM 1091 C CB . GLU B 2 9 ? -4.132 -11.304 -9.620 1.00 21.02 ? 6 GLU B CB 1 ATOM 1092 C CG . GLU B 2 9 ? -3.526 -11.903 -10.873 1.00 23.65 ? 6 GLU B CG 1 ATOM 1093 C CD . GLU B 2 9 ? -4.428 -12.956 -11.500 1.00 27.29 ? 6 GLU B CD 1 ATOM 1094 O OE1 . GLU B 2 9 ? -5.109 -13.683 -10.741 1.00 29.11 ? 6 GLU B OE1 1 ATOM 1095 O OE2 . GLU B 2 9 ? -4.452 -13.062 -12.748 1.00 27.51 ? 6 GLU B OE2 1 ATOM 1096 N N . PRO B 2 10 ? -2.154 -13.286 -7.593 1.00 19.72 ? 7 PRO B N 1 ATOM 1097 C CA . PRO B 2 10 ? -0.871 -13.226 -6.890 1.00 19.38 ? 7 PRO B CA 1 ATOM 1098 C C . PRO B 2 10 ? 0.048 -12.180 -7.520 1.00 19.31 ? 7 PRO B C 1 ATOM 1099 O O . PRO B 2 10 ? 0.003 -11.969 -8.733 1.00 20.10 ? 7 PRO B O 1 ATOM 1100 C CB . PRO B 2 10 ? -0.314 -14.631 -7.076 1.00 18.48 ? 7 PRO B CB 1 ATOM 1101 C CG . PRO B 2 10 ? -1.530 -15.476 -7.178 1.00 19.35 ? 7 PRO B CG 1 ATOM 1102 C CD . PRO B 2 10 ? -2.454 -14.658 -8.030 1.00 19.76 ? 7 PRO B CD 1 ATOM 1103 N N . THR B 2 11 ? 0.876 -11.532 -6.703 1.00 18.95 ? 8 THR B N 1 ATOM 1104 C CA . THR B 2 11 ? 1.832 -10.538 -7.201 1.00 18.09 ? 8 THR B CA 1 ATOM 1105 C C . THR B 2 11 ? 3.285 -10.959 -6.937 1.00 17.45 ? 8 THR B C 1 ATOM 1106 O O . THR B 2 11 ? 3.595 -11.449 -5.853 1.00 17.03 ? 8 THR B O 1 ATOM 1107 C CB . THR B 2 11 ? 1.580 -9.175 -6.550 1.00 17.64 ? 8 THR B CB 1 ATOM 1108 O OG1 . THR B 2 11 ? 1.549 -9.332 -5.127 1.00 17.73 ? 8 THR B OG1 1 ATOM 1109 C CG2 . THR B 2 11 ? 0.260 -8.599 -7.026 1.00 15.67 ? 8 THR B CG2 1 ATOM 1110 N N . CYS B 2 12 ? 4.169 -10.777 -7.918 1.00 16.66 ? 9 CYS B N 1 ATOM 1111 C CA . CYS B 2 12 ? 5.582 -11.115 -7.724 1.00 16.68 ? 9 CYS B CA 1 ATOM 1112 C C . CYS B 2 12 ? 6.516 -9.978 -8.076 1.00 14.28 ? 9 CYS B C 1 ATOM 1113 O O . CYS B 2 12 ? 6.163 -9.085 -8.832 1.00 15.02 ? 9 CYS B O 1 ATOM 1114 C CB . CYS B 2 12 ? 5.990 -12.313 -8.570 1.00 17.89 ? 9 CYS B CB 1 ATOM 1115 S SG . CYS B 2 12 ? 4.760 -13.620 -8.673 1.00 26.75 ? 9 CYS B SG 1 ATOM 1116 N N . VAL B 2 13 ? 7.716 -10.023 -7.512 1.00 12.29 ? 10 VAL B N 1 ATOM 1117 C CA . VAL B 2 13 ? 8.772 -9.068 -7.826 1.00 9.23 ? 10 VAL B CA 1 ATOM 1118 C C . VAL B 2 13 ? 10.050 -9.870 -7.868 1.00 7.19 ? 10 VAL B C 1 ATOM 1119 O O . VAL B 2 13 ? 10.120 -10.963 -7.307 1.00 5.76 ? 10 VAL B O 1 ATOM 1120 C CB . VAL B 2 13 ? 8.921 -7.946 -6.755 1.00 9.13 ? 10 VAL B CB 1 ATOM 1121 C CG1 . VAL B 2 13 ? 7.667 -7.131 -6.671 1.00 9.05 ? 10 VAL B CG1 1 ATOM 1122 C CG2 . VAL B 2 13 ? 9.271 -8.516 -5.392 1.00 6.35 ? 10 VAL B CG2 1 ATOM 1123 N N . SER B 2 14 ? 11.057 -9.338 -8.538 1.00 6.04 ? 11 SER B N 1 ATOM 1124 C CA . SER B 2 14 ? 12.338 -10.011 -8.612 1.00 5.85 ? 11 SER B CA 1 ATOM 1125 C C . SER B 2 14 ? 13.435 -9.073 -8.158 1.00 5.90 ? 11 SER B C 1 ATOM 1126 O O . SER B 2 14 ? 13.321 -7.862 -8.313 1.00 5.86 ? 11 SER B O 1 ATOM 1127 C CB . SER B 2 14 ? 12.619 -10.454 -10.040 1.00 5.82 ? 11 SER B CB 1 ATOM 1128 O OG . SER B 2 14 ? 13.930 -10.976 -10.134 1.00 6.02 ? 11 SER B OG 1 ATOM 1129 N N . ASP B 2 15 ? 14.490 -9.628 -7.573 1.00 6.01 ? 12 ASP B N 1 ATOM 1130 C CA . ASP B 2 15 ? 15.624 -8.808 -7.171 1.00 6.42 ? 12 ASP B CA 1 ATOM 1131 C C . ASP B 2 15 ? 16.572 -8.769 -8.351 1.00 7.02 ? 12 ASP B C 1 ATOM 1132 O O . ASP B 2 15 ? 17.650 -8.169 -8.290 1.00 6.47 ? 12 ASP B O 1 ATOM 1133 C CB . ASP B 2 15 ? 16.326 -9.386 -5.948 1.00 5.93 ? 12 ASP B CB 1 ATOM 1134 C CG . ASP B 2 15 ? 16.977 -10.736 -6.217 1.00 6.64 ? 12 ASP B CG 1 ATOM 1135 O OD1 . ASP B 2 15 ? 16.934 -11.242 -7.369 1.00 4.36 ? 12 ASP B OD1 1 ATOM 1136 O OD2 . ASP B 2 15 ? 17.530 -11.295 -5.238 1.00 7.06 ? 12 ASP B OD2 1 ATOM 1137 N N . TYR B 2 16 ? 16.140 -9.433 -9.420 1.00 7.62 ? 13 TYR B N 1 ATOM 1138 C CA . TYR B 2 16 ? 16.888 -9.535 -10.659 1.00 8.47 ? 13 TYR B CA 1 ATOM 1139 C C . TYR B 2 16 ? 18.239 -10.211 -10.486 1.00 9.31 ? 13 TYR B C 1 ATOM 1140 O O . TYR B 2 16 ? 19.171 -9.933 -11.230 1.00 9.04 ? 13 TYR B O 1 ATOM 1141 C CB . TYR B 2 16 ? 17.102 -8.157 -11.270 1.00 8.02 ? 13 TYR B CB 1 ATOM 1142 C CG . TYR B 2 16 ? 16.994 -8.174 -12.774 1.00 8.87 ? 13 TYR B CG 1 ATOM 1143 C CD1 . TYR B 2 16 ? 17.868 -7.446 -13.573 1.00 8.84 ? 13 TYR B CD1 1 ATOM 1144 C CD2 . TYR B 2 16 ? 16.002 -8.916 -13.400 1.00 8.70 ? 13 TYR B CD2 1 ATOM 1145 C CE1 . TYR B 2 16 ? 17.739 -7.453 -14.970 1.00 9.04 ? 13 TYR B CE1 1 ATOM 1146 C CE2 . TYR B 2 16 ? 15.868 -8.928 -14.775 1.00 8.37 ? 13 TYR B CE2 1 ATOM 1147 C CZ . TYR B 2 16 ? 16.728 -8.198 -15.557 1.00 8.17 ? 13 TYR B CZ 1 ATOM 1148 O OH . TYR B 2 16 ? 16.558 -8.222 -16.922 1.00 7.07 ? 13 TYR B OH 1 ATOM 1149 N N . MET B 2 17 ? 18.348 -11.090 -9.500 1.00 10.42 ? 14 MET B N 1 ATOM 1150 C CA . MET B 2 17 ? 19.605 -11.769 -9.258 1.00 11.26 ? 14 MET B CA 1 ATOM 1151 C C . MET B 2 17 ? 19.332 -13.248 -9.044 1.00 11.21 ? 14 MET B C 1 ATOM 1152 O O . MET B 2 17 ? 19.588 -14.040 -9.937 1.00 13.05 ? 14 MET B O 1 ATOM 1153 C CB . MET B 2 17 ? 20.337 -11.170 -8.055 1.00 11.15 ? 14 MET B CB 1 ATOM 1154 C CG . MET B 2 17 ? 21.794 -11.617 -7.969 1.00 14.50 ? 14 MET B CG 1 ATOM 1155 S SD . MET B 2 17 ? 22.690 -11.102 -6.478 1.00 20.25 ? 14 MET B SD 1 ATOM 1156 C CE . MET B 2 17 ? 22.911 -9.445 -6.868 1.00 21.10 ? 14 MET B CE 1 ATOM 1157 N N . SER B 2 18 ? 18.795 -13.624 -7.885 1.00 9.78 ? 15 SER B N 1 ATOM 1158 C CA . SER B 2 18 ? 18.540 -15.032 -7.616 1.00 8.13 ? 15 SER B CA 1 ATOM 1159 C C . SER B 2 18 ? 17.110 -15.315 -7.213 1.00 8.65 ? 15 SER B C 1 ATOM 1160 O O . SER B 2 18 ? 16.654 -16.450 -7.348 1.00 9.17 ? 15 SER B O 1 ATOM 1161 C CB . SER B 2 18 ? 19.450 -15.528 -6.510 1.00 7.67 ? 15 SER B CB 1 ATOM 1162 O OG . SER B 2 18 ? 20.500 -14.604 -6.273 1.00 11.80 ? 15 SER B OG 1 ATOM 1163 N N . ILE B 2 19 ? 16.395 -14.287 -6.752 1.00 8.63 ? 16 ILE B N 1 ATOM 1164 C CA . ILE B 2 19 ? 15.073 -14.473 -6.170 1.00 8.44 ? 16 ILE B CA 1 ATOM 1165 C C . ILE B 2 19 ? 13.928 -13.697 -6.759 1.00 9.96 ? 16 ILE B C 1 ATOM 1166 O O . ILE B 2 19 ? 14.079 -12.561 -7.196 1.00 11.35 ? 16 ILE B O 1 ATOM 1167 C CB . ILE B 2 19 ? 15.091 -14.069 -4.709 1.00 9.47 ? 16 ILE B CB 1 ATOM 1168 C CG1 . ILE B 2 19 ? 16.209 -14.801 -3.988 1.00 9.32 ? 16 ILE B CG1 1 ATOM 1169 C CG2 . ILE B 2 19 ? 13.705 -14.277 -4.066 1.00 9.19 ? 16 ILE B CG2 1 ATOM 1170 C CD1 . ILE B 2 19 ? 16.346 -14.391 -2.589 1.00 11.59 ? 16 ILE B CD1 1 ATOM 1171 N N . SER B 2 20 ? 12.762 -14.330 -6.703 1.00 11.36 ? 17 SER B N 1 ATOM 1172 C CA . SER B 2 20 ? 11.502 -13.725 -7.083 1.00 11.05 ? 17 SER B CA 1 ATOM 1173 C C . SER B 2 20 ? 10.570 -14.156 -5.992 1.00 11.61 ? 17 SER B C 1 ATOM 1174 O O . SER B 2 20 ? 10.532 -15.335 -5.646 1.00 12.00 ? 17 SER B O 1 ATOM 1175 C CB . SER B 2 20 ? 11.024 -14.257 -8.429 1.00 9.55 ? 17 SER B CB 1 ATOM 1176 O OG . SER B 2 20 ? 11.639 -13.523 -9.473 1.00 8.48 ? 17 SER B OG 1 ATOM 1177 N N . THR B 2 21 ? 9.841 -13.199 -5.437 1.00 12.74 ? 18 THR B N 1 ATOM 1178 C CA . THR B 2 21 ? 8.915 -13.476 -4.356 1.00 13.80 ? 18 THR B CA 1 ATOM 1179 C C . THR B 2 21 ? 7.490 -13.178 -4.786 1.00 14.52 ? 18 THR B C 1 ATOM 1180 O O . THR B 2 21 ? 7.186 -12.052 -5.188 1.00 15.12 ? 18 THR B O 1 ATOM 1181 C CB . THR B 2 21 ? 9.266 -12.626 -3.131 1.00 13.75 ? 18 THR B CB 1 ATOM 1182 O OG1 . THR B 2 21 ? 10.602 -12.925 -2.729 1.00 15.04 ? 18 THR B OG1 1 ATOM 1183 C CG2 . THR B 2 21 ? 8.318 -12.909 -1.981 1.00 13.66 ? 18 THR B CG2 1 ATOM 1184 N N . CYS B 2 22 ? 6.634 -14.192 -4.727 1.00 14.52 ? 19 CYS B N 1 ATOM 1185 C CA . CYS B 2 22 ? 5.227 -13.989 -4.995 1.00 16.91 ? 19 CYS B CA 1 ATOM 1186 C C . CYS B 2 22 ? 4.508 -13.983 -3.672 1.00 16.83 ? 19 CYS B C 1 ATOM 1187 O O . CYS B 2 22 ? 4.843 -14.734 -2.762 1.00 17.37 ? 19 CYS B O 1 ATOM 1188 C CB . CYS B 2 22 ? 4.650 -15.060 -5.907 1.00 16.30 ? 19 CYS B CB 1 ATOM 1189 S SG . CYS B 2 22 ? 5.507 -15.148 -7.511 1.00 26.64 ? 19 CYS B SG 1 ATOM 1190 N N . GLU B 2 23 ? 3.521 -13.109 -3.578 1.00 17.55 ? 20 GLU B N 1 ATOM 1191 C CA . GLU B 2 23 ? 2.701 -12.969 -2.402 1.00 17.37 ? 20 GLU B CA 1 ATOM 1192 C C . GLU B 2 23 ? 1.287 -13.192 -2.907 1.00 15.03 ? 20 GLU B C 1 ATOM 1193 O O . GLU B 2 23 ? 0.991 -12.894 -4.063 1.00 14.49 ? 20 GLU B O 1 ATOM 1194 C CB . GLU B 2 23 ? 2.880 -11.547 -1.867 1.00 20.25 ? 20 GLU B CB 1 ATOM 1195 C CG . GLU B 2 23 ? 2.156 -11.204 -0.578 1.00 27.97 ? 20 GLU B CG 1 ATOM 1196 C CD . GLU B 2 23 ? 2.465 -9.775 -0.084 1.00 34.90 ? 20 GLU B CD 1 ATOM 1197 O OE1 . GLU B 2 23 ? 3.173 -9.013 -0.795 1.00 35.61 ? 20 GLU B OE1 1 ATOM 1198 O OE2 . GLU B 2 23 ? 1.991 -9.412 1.022 1.00 37.88 ? 20 GLU B OE2 1 ATOM 1199 N N . TRP B 2 24 ? 0.430 -13.760 -2.066 1.00 13.59 ? 21 TRP B N 1 ATOM 1200 C CA . TRP B 2 24 ? -0.996 -13.878 -2.386 1.00 11.60 ? 21 TRP B CA 1 ATOM 1201 C C . TRP B 2 24 ? -1.784 -14.175 -1.128 1.00 10.37 ? 21 TRP B C 1 ATOM 1202 O O . TRP B 2 24 ? -1.210 -14.548 -0.103 1.00 9.38 ? 21 TRP B O 1 ATOM 1203 C CB . TRP B 2 24 ? -1.253 -14.952 -3.446 1.00 11.34 ? 21 TRP B CB 1 ATOM 1204 C CG . TRP B 2 24 ? -1.033 -16.353 -2.993 1.00 13.35 ? 21 TRP B CG 1 ATOM 1205 C CD1 . TRP B 2 24 ? -1.923 -17.157 -2.351 1.00 12.84 ? 21 TRP B CD1 1 ATOM 1206 C CD2 . TRP B 2 24 ? 0.146 -17.138 -3.187 1.00 14.61 ? 21 TRP B CD2 1 ATOM 1207 N NE1 . TRP B 2 24 ? -1.372 -18.400 -2.129 1.00 12.72 ? 21 TRP B NE1 1 ATOM 1208 C CE2 . TRP B 2 24 ? -0.100 -18.412 -2.633 1.00 14.65 ? 21 TRP B CE2 1 ATOM 1209 C CE3 . TRP B 2 24 ? 1.391 -16.890 -3.779 1.00 14.22 ? 21 TRP B CE3 1 ATOM 1210 C CZ2 . TRP B 2 24 ? 0.854 -19.430 -2.648 1.00 17.09 ? 21 TRP B CZ2 1 ATOM 1211 C CZ3 . TRP B 2 24 ? 2.335 -17.901 -3.793 1.00 13.67 ? 21 TRP B CZ3 1 ATOM 1212 C CH2 . TRP B 2 24 ? 2.062 -19.155 -3.232 1.00 15.36 ? 21 TRP B CH2 1 ATOM 1213 N N . LYS B 2 25 ? -3.099 -14.004 -1.212 1.00 10.10 ? 22 LYS B N 1 ATOM 1214 C CA . LYS B 2 25 ? -4.003 -14.258 -0.089 1.00 9.46 ? 22 LYS B CA 1 ATOM 1215 C C . LYS B 2 25 ? -4.974 -15.411 -0.339 1.00 9.30 ? 22 LYS B C 1 ATOM 1216 O O . LYS B 2 25 ? -5.614 -15.493 -1.395 1.00 8.42 ? 22 LYS B O 1 ATOM 1217 C CB . LYS B 2 25 ? -4.804 -12.997 0.214 1.00 9.03 ? 22 LYS B CB 1 ATOM 1218 C CG . LYS B 2 25 ? -3.965 -11.843 0.688 1.00 11.30 ? 22 LYS B CG 1 ATOM 1219 C CD . LYS B 2 25 ? -4.650 -10.538 0.352 1.00 17.42 ? 22 LYS B CD 1 ATOM 1220 C CE . LYS B 2 25 ? -3.817 -9.317 0.751 1.00 21.08 ? 22 LYS B CE 1 ATOM 1221 N NZ . LYS B 2 25 ? -3.620 -9.186 2.237 1.00 24.57 ? 22 LYS B NZ 1 ATOM 1222 N N . MET B 2 26 ? -5.088 -16.292 0.650 1.00 9.81 ? 23 MET B N 1 ATOM 1223 C CA . MET B 2 26 ? -6.046 -17.411 0.605 1.00 10.03 ? 23 MET B CA 1 ATOM 1224 C C . MET B 2 26 ? -7.411 -17.023 1.185 1.00 10.08 ? 23 MET B C 1 ATOM 1225 O O . MET B 2 26 ? -7.546 -15.990 1.848 1.00 9.53 ? 23 MET B O 1 ATOM 1226 C CB . MET B 2 26 ? -5.485 -18.616 1.356 1.00 8.93 ? 23 MET B CB 1 ATOM 1227 C CG . MET B 2 26 ? -4.154 -19.106 0.794 1.00 10.47 ? 23 MET B CG 1 ATOM 1228 S SD . MET B 2 26 ? -4.318 -20.197 -0.639 1.00 14.31 ? 23 MET B SD 1 ATOM 1229 C CE . MET B 2 26 ? -4.493 -19.043 -1.941 1.00 15.18 ? 23 MET B CE 1 ATOM 1230 N N . ASN B 2 27 ? -8.425 -17.840 0.927 1.00 9.84 ? 24 ASN B N 1 ATOM 1231 C CA . ASN B 2 27 ? -9.763 -17.551 1.435 1.00 9.65 ? 24 ASN B CA 1 ATOM 1232 C C . ASN B 2 27 ? -9.958 -17.840 2.917 1.00 9.41 ? 24 ASN B C 1 ATOM 1233 O O . ASN B 2 27 ? -10.958 -17.430 3.478 1.00 10.53 ? 24 ASN B O 1 ATOM 1234 C CB . ASN B 2 27 ? -10.821 -18.312 0.639 1.00 10.76 ? 24 ASN B CB 1 ATOM 1235 C CG . ASN B 2 27 ? -10.712 -19.802 0.804 1.00 12.43 ? 24 ASN B CG 1 ATOM 1236 O OD1 . ASN B 2 27 ? -9.701 -20.318 1.264 1.00 17.32 ? 24 ASN B OD1 1 ATOM 1237 N ND2 . ASN B 2 27 ? -11.756 -20.508 0.415 1.00 18.55 ? 24 ASN B ND2 1 ATOM 1238 N N . GLY B 2 28 ? -9.019 -18.549 3.550 1.00 9.36 ? 25 GLY B N 1 ATOM 1239 C CA . GLY B 2 28 ? -9.124 -18.849 4.974 1.00 7.45 ? 25 GLY B CA 1 ATOM 1240 C C . GLY B 2 28 ? -7.842 -19.380 5.582 1.00 6.94 ? 25 GLY B C 1 ATOM 1241 O O . GLY B 2 28 ? -6.854 -19.533 4.873 1.00 6.90 ? 25 GLY B O 1 ATOM 1242 N N . PRO B 2 29 ? -7.845 -19.691 6.899 1.00 6.06 ? 26 PRO B N 1 ATOM 1243 C CA . PRO B 2 29 ? -6.668 -20.158 7.619 1.00 5.21 ? 26 PRO B CA 1 ATOM 1244 C C . PRO B 2 29 ? -6.074 -21.281 6.820 1.00 6.63 ? 26 PRO B C 1 ATOM 1245 O O . PRO B 2 29 ? -6.787 -22.224 6.458 1.00 6.69 ? 26 PRO B O 1 ATOM 1246 C CB . PRO B 2 29 ? -7.257 -20.680 8.923 1.00 4.09 ? 26 PRO B CB 1 ATOM 1247 C CG . PRO B 2 29 ? -8.454 -19.850 9.117 1.00 3.12 ? 26 PRO B CG 1 ATOM 1248 C CD . PRO B 2 29 ? -9.038 -19.780 7.762 1.00 5.66 ? 26 PRO B CD 1 ATOM 1249 N N . THR B 2 30 ? -4.780 -21.186 6.544 1.00 7.97 ? 27 THR B N 1 ATOM 1250 C CA . THR B 2 30 ? -4.133 -22.165 5.692 1.00 9.54 ? 27 THR B CA 1 ATOM 1251 C C . THR B 2 30 ? -2.717 -22.453 6.133 1.00 10.47 ? 27 THR B C 1 ATOM 1252 O O . THR B 2 30 ? -2.008 -21.545 6.554 1.00 12.07 ? 27 THR B O 1 ATOM 1253 C CB . THR B 2 30 ? -4.131 -21.632 4.258 1.00 9.37 ? 27 THR B CB 1 ATOM 1254 O OG1 . THR B 2 30 ? -5.473 -21.598 3.788 1.00 13.11 ? 27 THR B OG1 1 ATOM 1255 C CG2 . THR B 2 30 ? -3.319 -22.493 3.331 1.00 11.94 ? 27 THR B CG2 1 ATOM 1256 N N . GLN B 2 31 ? -2.316 -23.722 6.048 1.00 10.86 ? 28 GLN B N 1 ATOM 1257 C CA . GLN B 2 31 ? -0.938 -24.108 6.308 1.00 11.26 ? 28 GLN B CA 1 ATOM 1258 C C . GLN B 2 31 ? -0.266 -24.146 4.936 1.00 10.73 ? 28 GLN B C 1 ATOM 1259 O O . GLN B 2 31 ? -0.199 -25.196 4.306 1.00 10.60 ? 28 GLN B O 1 ATOM 1260 C CB . GLN B 2 31 ? -0.866 -25.490 6.980 1.00 13.17 ? 28 GLN B CB 1 ATOM 1261 C CG . GLN B 2 31 ? -1.294 -25.524 8.436 1.00 16.76 ? 28 GLN B CG 1 ATOM 1262 C CD . GLN B 2 31 ? -0.631 -24.419 9.247 1.00 22.11 ? 28 GLN B CD 1 ATOM 1263 O OE1 . GLN B 2 31 ? -1.256 -23.397 9.561 1.00 24.39 ? 28 GLN B OE1 1 ATOM 1264 N NE2 . GLN B 2 31 ? 0.648 -24.604 9.567 1.00 23.83 ? 28 GLN B NE2 1 ATOM 1265 N N . CYS B 2 32 ? 0.203 -22.990 4.463 1.00 10.89 ? 29 CYS B N 1 ATOM 1266 C CA . CYS B 2 32 ? 0.831 -22.874 3.133 1.00 11.00 ? 29 CYS B CA 1 ATOM 1267 C C . CYS B 2 32 ? 1.841 -23.981 2.839 1.00 10.16 ? 29 CYS B C 1 ATOM 1268 O O . CYS B 2 32 ? 1.811 -24.635 1.787 1.00 8.55 ? 29 CYS B O 1 ATOM 1269 C CB . CYS B 2 32 ? 1.565 -21.537 2.986 1.00 9.99 ? 29 CYS B CB 1 ATOM 1270 S SG . CYS B 2 32 ? 0.632 -20.072 3.469 1.00 14.31 ? 29 CYS B SG 1 ATOM 1271 N N . SER B 2 33 ? 2.741 -24.160 3.795 1.00 9.53 ? 30 SER B N 1 ATOM 1272 C CA . SER B 2 33 ? 3.854 -25.066 3.672 1.00 9.59 ? 30 SER B CA 1 ATOM 1273 C C . SER B 2 33 ? 3.400 -26.525 3.529 1.00 10.10 ? 30 SER B C 1 ATOM 1274 O O . SER B 2 33 ? 4.098 -27.351 2.931 1.00 9.57 ? 30 SER B O 1 ATOM 1275 C CB . SER B 2 33 ? 4.752 -24.851 4.884 1.00 9.50 ? 30 SER B CB 1 ATOM 1276 O OG . SER B 2 33 ? 5.550 -25.983 5.153 1.00 15.79 ? 30 SER B OG 1 ATOM 1277 N N . THR B 2 34 ? 2.209 -26.821 4.041 1.00 10.45 ? 31 THR B N 1 ATOM 1278 C CA . THR B 2 34 ? 1.661 -28.170 3.997 1.00 9.91 ? 31 THR B CA 1 ATOM 1279 C C . THR B 2 34 ? 0.654 -28.422 2.870 1.00 10.45 ? 31 THR B C 1 ATOM 1280 O O . THR B 2 34 ? 0.650 -29.500 2.280 1.00 11.83 ? 31 THR B O 1 ATOM 1281 C CB . THR B 2 34 ? 1.018 -28.512 5.336 1.00 8.95 ? 31 THR B CB 1 ATOM 1282 O OG1 . THR B 2 34 ? 1.974 -28.297 6.381 1.00 8.81 ? 31 THR B OG1 1 ATOM 1283 C CG2 . THR B 2 34 ? 0.596 -29.958 5.360 1.00 8.67 ? 31 THR B CG2 1 ATOM 1284 N N . GLU B 2 35 ? -0.182 -27.435 2.563 1.00 10.09 ? 32 GLU B N 1 ATOM 1285 C CA . GLU B 2 35 ? -1.202 -27.577 1.528 1.00 10.68 ? 32 GLU B CA 1 ATOM 1286 C C . GLU B 2 35 ? -0.837 -27.134 0.091 1.00 9.56 ? 32 GLU B C 1 ATOM 1287 O O . GLU B 2 35 ? -1.442 -27.600 -0.873 1.00 9.89 ? 32 GLU B O 1 ATOM 1288 C CB . GLU B 2 35 ? -2.460 -26.819 1.953 1.00 14.02 ? 32 GLU B CB 1 ATOM 1289 C CG . GLU B 2 35 ? -3.186 -27.346 3.193 1.00 20.10 ? 32 GLU B CG 1 ATOM 1290 C CD . GLU B 2 35 ? -3.765 -28.741 3.007 1.00 26.02 ? 32 GLU B CD 1 ATOM 1291 O OE1 . GLU B 2 35 ? -4.144 -29.107 1.862 1.00 28.43 ? 32 GLU B OE1 1 ATOM 1292 O OE2 . GLU B 2 35 ? -3.839 -29.469 4.027 1.00 29.09 ? 32 GLU B OE2 1 ATOM 1293 N N . LEU B 2 36 ? 0.133 -26.247 -0.077 1.00 7.39 ? 33 LEU B N 1 ATOM 1294 C CA . LEU B 2 36 ? 0.396 -25.722 -1.411 1.00 4.79 ? 33 LEU B CA 1 ATOM 1295 C C . LEU B 2 36 ? 1.761 -25.995 -2.037 1.00 4.79 ? 33 LEU B C 1 ATOM 1296 O O . LEU B 2 36 ? 2.735 -26.295 -1.356 1.00 5.77 ? 33 LEU B O 1 ATOM 1297 C CB . LEU B 2 36 ? 0.147 -24.223 -1.397 1.00 3.32 ? 33 LEU B CB 1 ATOM 1298 C CG . LEU B 2 36 ? -1.204 -23.832 -0.803 1.00 2.34 ? 33 LEU B CG 1 ATOM 1299 C CD1 . LEU B 2 36 ? -1.160 -22.339 -0.578 1.00 2.84 ? 33 LEU B CD1 1 ATOM 1300 C CD2 . LEU B 2 36 ? -2.401 -24.241 -1.684 1.00 2.00 ? 33 LEU B CD2 1 ATOM 1301 N N . ARG B 2 37 ? 1.812 -25.885 -3.359 1.00 4.62 ? 34 ARG B N 1 ATOM 1302 C CA . ARG B 2 37 ? 3.049 -26.061 -4.102 1.00 4.36 ? 34 ARG B CA 1 ATOM 1303 C C . ARG B 2 37 ? 2.946 -25.151 -5.299 1.00 5.31 ? 34 ARG B C 1 ATOM 1304 O O . ARG B 2 37 ? 1.928 -25.166 -5.997 1.00 5.80 ? 34 ARG B O 1 ATOM 1305 C CB . ARG B 2 37 ? 3.230 -27.511 -4.567 1.00 2.00 ? 34 ARG B CB 1 ATOM 1306 C CG . ARG B 2 37 ? 3.569 -28.485 -3.464 1.00 2.00 ? 34 ARG B CG 1 ATOM 1307 C CD . ARG B 2 37 ? 4.850 -28.074 -2.737 1.00 4.24 ? 34 ARG B CD 1 ATOM 1308 N NE . ARG B 2 37 ? 5.272 -29.080 -1.761 1.00 7.19 ? 34 ARG B NE 1 ATOM 1309 C CZ . ARG B 2 37 ? 4.928 -29.086 -0.473 1.00 8.13 ? 34 ARG B CZ 1 ATOM 1310 N NH1 . ARG B 2 37 ? 4.166 -28.116 0.023 1.00 9.01 ? 34 ARG B NH1 1 ATOM 1311 N NH2 . ARG B 2 37 ? 5.344 -30.070 0.320 1.00 6.67 ? 34 ARG B NH2 1 ATOM 1312 N N . LEU B 2 38 ? 3.975 -24.336 -5.519 1.00 5.27 ? 35 LEU B N 1 ATOM 1313 C CA . LEU B 2 38 ? 3.987 -23.454 -6.670 1.00 6.18 ? 35 LEU B CA 1 ATOM 1314 C C . LEU B 2 38 ? 5.026 -23.950 -7.654 1.00 7.05 ? 35 LEU B C 1 ATOM 1315 O O . LEU B 2 38 ? 6.208 -24.024 -7.317 1.00 8.99 ? 35 LEU B O 1 ATOM 1316 C CB . LEU B 2 38 ? 4.357 -22.045 -6.252 1.00 6.43 ? 35 LEU B CB 1 ATOM 1317 C CG . LEU B 2 38 ? 3.678 -20.934 -7.052 1.00 8.18 ? 35 LEU B CG 1 ATOM 1318 C CD1 . LEU B 2 38 ? 4.262 -19.609 -6.626 1.00 8.34 ? 35 LEU B CD1 1 ATOM 1319 C CD2 . LEU B 2 38 ? 3.865 -21.146 -8.559 1.00 11.24 ? 35 LEU B CD2 1 ATOM 1320 N N . LEU B 2 39 ? 4.610 -24.288 -8.868 1.00 6.43 ? 36 LEU B N 1 ATOM 1321 C CA . LEU B 2 39 ? 5.567 -24.760 -9.855 1.00 6.64 ? 36 LEU B CA 1 ATOM 1322 C C . LEU B 2 39 ? 5.851 -23.690 -10.878 1.00 6.25 ? 36 LEU B C 1 ATOM 1323 O O . LEU B 2 39 ? 4.935 -23.217 -11.551 1.00 7.66 ? 36 LEU B O 1 ATOM 1324 C CB . LEU B 2 39 ? 5.056 -26.014 -10.555 1.00 7.43 ? 36 LEU B CB 1 ATOM 1325 C CG . LEU B 2 39 ? 5.179 -27.340 -9.791 1.00 8.49 ? 36 LEU B CG 1 ATOM 1326 C CD1 . LEU B 2 39 ? 4.569 -27.241 -8.383 1.00 7.60 ? 36 LEU B CD1 1 ATOM 1327 C CD2 . LEU B 2 39 ? 4.513 -28.443 -10.615 1.00 7.78 ? 36 LEU B CD2 1 ATOM 1328 N N . TYR B 2 40 ? 7.116 -23.303 -10.995 1.00 4.69 ? 37 TYR B N 1 ATOM 1329 C CA . TYR B 2 40 ? 7.494 -22.298 -11.971 1.00 3.29 ? 37 TYR B CA 1 ATOM 1330 C C . TYR B 2 40 ? 8.410 -22.925 -13.002 1.00 3.09 ? 37 TYR B C 1 ATOM 1331 O O . TYR B 2 40 ? 9.122 -23.891 -12.706 1.00 2.00 ? 37 TYR B O 1 ATOM 1332 C CB . TYR B 2 40 ? 8.148 -21.091 -11.293 1.00 2.71 ? 37 TYR B CB 1 ATOM 1333 C CG . TYR B 2 40 ? 9.414 -21.384 -10.534 1.00 2.00 ? 37 TYR B CG 1 ATOM 1334 C CD1 . TYR B 2 40 ? 10.649 -20.941 -11.004 1.00 3.79 ? 37 TYR B CD1 1 ATOM 1335 C CD2 . TYR B 2 40 ? 9.382 -22.099 -9.350 1.00 2.00 ? 37 TYR B CD2 1 ATOM 1336 C CE1 . TYR B 2 40 ? 11.824 -21.198 -10.294 1.00 4.81 ? 37 TYR B CE1 1 ATOM 1337 C CE2 . TYR B 2 40 ? 10.543 -22.364 -8.638 1.00 3.94 ? 37 TYR B CE2 1 ATOM 1338 C CZ . TYR B 2 40 ? 11.758 -21.907 -9.112 1.00 5.26 ? 37 TYR B CZ 1 ATOM 1339 O OH . TYR B 2 40 ? 12.901 -22.155 -8.395 1.00 7.66 ? 37 TYR B OH 1 ATOM 1340 N N . GLN B 2 41 ? 8.369 -22.391 -14.219 1.00 3.07 ? 38 GLN B N 1 ATOM 1341 C CA . GLN B 2 41 ? 9.190 -22.922 -15.301 1.00 3.78 ? 38 GLN B CA 1 ATOM 1342 C C . GLN B 2 41 ? 9.454 -21.871 -16.369 1.00 2.87 ? 38 GLN B C 1 ATOM 1343 O O . GLN B 2 41 ? 8.523 -21.262 -16.896 1.00 3.54 ? 38 GLN B O 1 ATOM 1344 C CB . GLN B 2 41 ? 8.514 -24.147 -15.913 1.00 4.53 ? 38 GLN B CB 1 ATOM 1345 C CG . GLN B 2 41 ? 9.312 -24.809 -17.008 1.00 7.74 ? 38 GLN B CG 1 ATOM 1346 C CD . GLN B 2 41 ? 8.623 -26.043 -17.582 1.00 11.15 ? 38 GLN B CD 1 ATOM 1347 O OE1 . GLN B 2 41 ? 9.178 -26.735 -18.447 1.00 11.47 ? 38 GLN B OE1 1 ATOM 1348 N NE2 . GLN B 2 41 ? 7.412 -26.326 -17.103 1.00 9.08 ? 38 GLN B NE2 1 ATOM 1349 N N . LEU B 2 42 ? 10.729 -21.665 -16.683 1.00 2.00 ? 39 LEU B N 1 ATOM 1350 C CA . LEU B 2 42 ? 11.114 -20.690 -17.686 1.00 2.00 ? 39 LEU B CA 1 ATOM 1351 C C . LEU B 2 42 ? 10.512 -21.029 -19.047 1.00 2.00 ? 39 LEU B C 1 ATOM 1352 O O . LEU B 2 42 ? 10.514 -22.181 -19.443 1.00 2.00 ? 39 LEU B O 1 ATOM 1353 C CB . LEU B 2 42 ? 12.640 -20.583 -17.788 1.00 2.00 ? 39 LEU B CB 1 ATOM 1354 C CG . LEU B 2 42 ? 13.043 -19.529 -18.811 1.00 2.00 ? 39 LEU B CG 1 ATOM 1355 C CD1 . LEU B 2 42 ? 12.772 -18.163 -18.215 1.00 2.00 ? 39 LEU B CD1 1 ATOM 1356 C CD2 . LEU B 2 42 ? 14.497 -19.701 -19.201 1.00 2.00 ? 39 LEU B CD2 1 ATOM 1357 N N . VAL B 2 43 ? 9.991 -20.027 -19.745 1.00 2.00 ? 40 VAL B N 1 ATOM 1358 C CA . VAL B 2 43 ? 9.417 -20.257 -21.051 1.00 2.00 ? 40 VAL B CA 1 ATOM 1359 C C . VAL B 2 43 ? 10.537 -20.210 -22.087 1.00 5.85 ? 40 VAL B C 1 ATOM 1360 O O . VAL B 2 43 ? 10.777 -19.180 -22.731 1.00 7.01 ? 40 VAL B O 1 ATOM 1361 C CB . VAL B 2 43 ? 8.347 -19.227 -21.369 1.00 2.00 ? 40 VAL B CB 1 ATOM 1362 C CG1 . VAL B 2 43 ? 7.625 -19.623 -22.616 1.00 2.00 ? 40 VAL B CG1 1 ATOM 1363 C CG2 . VAL B 2 43 ? 7.374 -19.131 -20.218 1.00 2.00 ? 40 VAL B CG2 1 ATOM 1364 N N . PHE B 2 44 ? 11.234 -21.333 -22.221 1.00 8.90 ? 41 PHE B N 1 ATOM 1365 C CA . PHE B 2 44 ? 12.346 -21.459 -23.152 1.00 11.51 ? 41 PHE B CA 1 ATOM 1366 C C . PHE B 2 44 ? 12.567 -22.951 -23.402 1.00 14.59 ? 41 PHE B C 1 ATOM 1367 O O . PHE B 2 44 ? 12.618 -23.741 -22.469 1.00 14.97 ? 41 PHE B O 1 ATOM 1368 C CB . PHE B 2 44 ? 13.575 -20.803 -22.538 1.00 9.49 ? 41 PHE B CB 1 ATOM 1369 C CG . PHE B 2 44 ? 14.721 -20.633 -23.485 1.00 7.40 ? 41 PHE B CG 1 ATOM 1370 C CD1 . PHE B 2 44 ? 15.916 -21.303 -23.264 1.00 3.97 ? 41 PHE B CD1 1 ATOM 1371 C CD2 . PHE B 2 44 ? 14.626 -19.771 -24.569 1.00 7.59 ? 41 PHE B CD2 1 ATOM 1372 C CE1 . PHE B 2 44 ? 16.999 -21.127 -24.111 1.00 4.30 ? 41 PHE B CE1 1 ATOM 1373 C CE2 . PHE B 2 44 ? 15.707 -19.590 -25.434 1.00 7.86 ? 41 PHE B CE2 1 ATOM 1374 C CZ . PHE B 2 44 ? 16.900 -20.272 -25.200 1.00 6.48 ? 41 PHE B CZ 1 ATOM 1375 N N . LEU B 2 45 ? 12.664 -23.339 -24.663 1.00 18.48 ? 42 LEU B N 1 ATOM 1376 C CA . LEU B 2 45 ? 12.808 -24.750 -25.017 1.00 23.43 ? 42 LEU B CA 1 ATOM 1377 C C . LEU B 2 45 ? 13.826 -25.515 -24.178 1.00 26.12 ? 42 LEU B C 1 ATOM 1378 O O . LEU B 2 45 ? 14.888 -24.990 -23.836 1.00 27.09 ? 42 LEU B O 1 ATOM 1379 C CB . LEU B 2 45 ? 13.167 -24.885 -26.501 1.00 24.56 ? 42 LEU B CB 1 ATOM 1380 C CG . LEU B 2 45 ? 14.122 -23.858 -27.127 1.00 24.96 ? 42 LEU B CG 1 ATOM 1381 C CD1 . LEU B 2 45 ? 15.581 -24.107 -26.721 1.00 23.39 ? 42 LEU B CD1 1 ATOM 1382 C CD2 . LEU B 2 45 ? 13.955 -23.897 -28.646 1.00 24.06 ? 42 LEU B CD2 1 ATOM 1383 N N . LEU B 2 46 ? 13.490 -26.765 -23.867 1.00 29.91 ? 43 LEU B N 1 ATOM 1384 C CA . LEU B 2 46 ? 14.355 -27.669 -23.089 1.00 32.64 ? 43 LEU B CA 1 ATOM 1385 C C . LEU B 2 46 ? 14.685 -27.116 -21.706 1.00 32.98 ? 43 LEU B C 1 ATOM 1386 O O . LEU B 2 46 ? 15.846 -27.138 -21.272 1.00 34.41 ? 43 LEU B O 1 ATOM 1387 C CB . LEU B 2 46 ? 15.659 -28.009 -23.846 1.00 34.16 ? 43 LEU B CB 1 ATOM 1388 C CG . LEU B 2 46 ? 15.623 -28.903 -25.102 1.00 36.12 ? 43 LEU B CG 1 ATOM 1389 C CD1 . LEU B 2 46 ? 17.025 -29.037 -25.692 1.00 36.41 ? 43 LEU B CD1 1 ATOM 1390 C CD2 . LEU B 2 46 ? 15.050 -30.291 -24.799 1.00 35.92 ? 43 LEU B CD2 1 ATOM 1391 N N . SER B 2 47 ? 13.663 -26.612 -21.021 1.00 31.68 ? 44 SER B N 1 ATOM 1392 C CA . SER B 2 47 ? 13.854 -26.058 -19.695 1.00 30.89 ? 44 SER B CA 1 ATOM 1393 C C . SER B 2 47 ? 12.958 -26.845 -18.777 1.00 30.20 ? 44 SER B C 1 ATOM 1394 O O . SER B 2 47 ? 11.814 -27.120 -19.117 1.00 30.02 ? 44 SER B O 1 ATOM 1395 C CB . SER B 2 47 ? 13.495 -24.573 -19.657 1.00 30.51 ? 44 SER B CB 1 ATOM 1396 O OG . SER B 2 47 ? 12.098 -24.388 -19.575 1.00 31.03 ? 44 SER B OG 1 ATOM 1397 N N . GLU B 2 48 ? 13.479 -27.217 -17.616 1.00 30.11 ? 45 GLU B N 1 ATOM 1398 C CA . GLU B 2 48 ? 12.719 -28.034 -16.680 1.00 30.08 ? 45 GLU B CA 1 ATOM 1399 C C . GLU B 2 48 ? 11.800 -27.187 -15.794 1.00 27.65 ? 45 GLU B C 1 ATOM 1400 O O . GLU B 2 48 ? 11.831 -25.967 -15.860 1.00 28.00 ? 45 GLU B O 1 ATOM 1401 C CB . GLU B 2 48 ? 13.678 -28.876 -15.835 1.00 32.17 ? 45 GLU B CB 1 ATOM 1402 C CG . GLU B 2 48 ? 13.117 -30.240 -15.435 1.00 38.18 ? 45 GLU B CG 1 ATOM 1403 C CD . GLU B 2 48 ? 13.282 -31.311 -16.519 1.00 43.58 ? 45 GLU B CD 1 ATOM 1404 O OE1 . GLU B 2 48 ? 12.953 -31.039 -17.702 1.00 45.28 ? 45 GLU B OE1 1 ATOM 1405 O OE2 . GLU B 2 48 ? 13.732 -32.436 -16.173 1.00 44.86 ? 45 GLU B OE2 1 ATOM 1406 N N . ALA B 2 49 ? 10.971 -27.837 -14.981 1.00 25.21 ? 46 ALA B N 1 ATOM 1407 C CA . ALA B 2 49 ? 10.084 -27.129 -14.056 1.00 22.39 ? 46 ALA B CA 1 ATOM 1408 C C . ALA B 2 49 ? 10.627 -27.204 -12.634 1.00 20.27 ? 46 ALA B C 1 ATOM 1409 O O . ALA B 2 49 ? 11.370 -28.114 -12.298 1.00 20.69 ? 46 ALA B O 1 ATOM 1410 C CB . ALA B 2 49 ? 8.702 -27.717 -14.109 1.00 22.08 ? 46 ALA B CB 1 ATOM 1411 N N . HIS B 2 50 ? 10.254 -26.249 -11.794 1.00 16.95 ? 47 HIS B N 1 ATOM 1412 C CA . HIS B 2 50 ? 10.760 -26.227 -10.440 1.00 13.62 ? 47 HIS B CA 1 ATOM 1413 C C . HIS B 2 50 ? 9.633 -26.161 -9.447 1.00 12.77 ? 47 HIS B C 1 ATOM 1414 O O . HIS B 2 50 ? 8.541 -25.681 -9.756 1.00 12.96 ? 47 HIS B O 1 ATOM 1415 C CB . HIS B 2 50 ? 11.707 -25.046 -10.259 1.00 13.32 ? 47 HIS B CB 1 ATOM 1416 C CG . HIS B 2 50 ? 13.023 -25.234 -10.944 1.00 14.31 ? 47 HIS B CG 1 ATOM 1417 N ND1 . HIS B 2 50 ? 14.075 -25.901 -10.357 1.00 12.90 ? 47 HIS B ND1 1 ATOM 1418 C CD2 . HIS B 2 50 ? 13.441 -24.888 -12.185 1.00 14.01 ? 47 HIS B CD2 1 ATOM 1419 C CE1 . HIS B 2 50 ? 15.086 -25.955 -11.206 1.00 11.93 ? 47 HIS B CE1 1 ATOM 1420 N NE2 . HIS B 2 50 ? 14.729 -25.345 -12.320 1.00 11.85 ? 47 HIS B NE2 1 ATOM 1421 N N . THR B 2 51 ? 9.894 -26.651 -8.244 1.00 10.60 ? 48 THR B N 1 ATOM 1422 C CA . THR B 2 51 ? 8.883 -26.616 -7.215 1.00 9.27 ? 48 THR B CA 1 ATOM 1423 C C . THR B 2 51 ? 9.323 -25.751 -6.043 1.00 9.94 ? 48 THR B C 1 ATOM 1424 O O . THR B 2 51 ? 10.411 -25.945 -5.513 1.00 9.09 ? 48 THR B O 1 ATOM 1425 C CB . THR B 2 51 ? 8.579 -28.026 -6.728 1.00 8.52 ? 48 THR B CB 1 ATOM 1426 O OG1 . THR B 2 51 ? 8.013 -28.772 -7.805 1.00 6.77 ? 48 THR B OG1 1 ATOM 1427 C CG2 . THR B 2 51 ? 7.589 -27.991 -5.587 1.00 8.44 ? 48 THR B CG2 1 ATOM 1428 N N . CYS B 2 52 ? 8.460 -24.804 -5.661 1.00 11.38 ? 49 CYS B N 1 ATOM 1429 C CA . CYS B 2 52 ? 8.636 -23.917 -4.493 1.00 12.87 ? 49 CYS B CA 1 ATOM 1430 C C . CYS B 2 52 ? 7.596 -24.287 -3.440 1.00 11.17 ? 49 CYS B C 1 ATOM 1431 O O . CYS B 2 52 ? 6.442 -24.534 -3.785 1.00 11.98 ? 49 CYS B O 1 ATOM 1432 C CB . CYS B 2 52 ? 8.410 -22.455 -4.898 1.00 15.93 ? 49 CYS B CB 1 ATOM 1433 S SG . CYS B 2 52 ? 8.577 -21.180 -3.601 1.00 25.98 ? 49 CYS B SG 1 ATOM 1434 N N . ILE B 2 53 ? 7.997 -24.344 -2.171 1.00 10.11 ? 50 ILE B N 1 ATOM 1435 C CA . ILE B 2 53 ? 7.076 -24.640 -1.063 1.00 10.31 ? 50 ILE B CA 1 ATOM 1436 C C . ILE B 2 53 ? 6.795 -23.304 -0.378 1.00 10.63 ? 50 ILE B C 1 ATOM 1437 O O . ILE B 2 53 ? 7.719 -22.676 0.132 1.00 11.37 ? 50 ILE B O 1 ATOM 1438 C CB . ILE B 2 53 ? 7.696 -25.585 0.018 1.00 10.79 ? 50 ILE B CB 1 ATOM 1439 C CG1 . ILE B 2 53 ? 7.945 -26.989 -0.516 1.00 8.64 ? 50 ILE B CG1 1 ATOM 1440 C CG2 . ILE B 2 53 ? 6.771 -25.701 1.204 1.00 12.58 ? 50 ILE B CG2 1 ATOM 1441 C CD1 . ILE B 2 53 ? 9.043 -27.042 -1.539 1.00 12.44 ? 50 ILE B CD1 1 ATOM 1442 N N . PRO B 2 54 ? 5.534 -22.885 -0.372 1.00 11.27 ? 51 PRO B N 1 ATOM 1443 C CA . PRO B 2 54 ? 5.164 -21.560 0.137 1.00 11.45 ? 51 PRO B CA 1 ATOM 1444 C C . PRO B 2 54 ? 5.373 -21.454 1.643 1.00 11.52 ? 51 PRO B C 1 ATOM 1445 O O . PRO B 2 54 ? 4.964 -22.346 2.387 1.00 13.25 ? 51 PRO B O 1 ATOM 1446 C CB . PRO B 2 54 ? 3.674 -21.466 -0.196 1.00 11.55 ? 51 PRO B CB 1 ATOM 1447 C CG . PRO B 2 54 ? 3.505 -22.340 -1.387 1.00 11.85 ? 51 PRO B CG 1 ATOM 1448 C CD . PRO B 2 54 ? 4.471 -23.476 -1.204 1.00 10.44 ? 51 PRO B CD 1 ATOM 1449 N N . GLU B 2 55 ? 6.004 -20.370 2.083 1.00 13.17 ? 52 GLU B N 1 ATOM 1450 C CA . GLU B 2 55 ? 5.949 -19.965 3.483 1.00 13.33 ? 52 GLU B CA 1 ATOM 1451 C C . GLU B 2 55 ? 4.624 -19.284 3.807 1.00 12.75 ? 52 GLU B C 1 ATOM 1452 O O . GLU B 2 55 ? 3.934 -18.789 2.916 1.00 12.81 ? 52 GLU B O 1 ATOM 1453 C CB . GLU B 2 55 ? 7.115 -19.034 3.818 1.00 15.66 ? 52 GLU B CB 1 ATOM 1454 C CG . GLU B 2 55 ? 8.485 -19.631 3.542 1.00 20.49 ? 52 GLU B CG 1 ATOM 1455 C CD . GLU B 2 55 ? 9.615 -18.686 3.900 1.00 24.80 ? 52 GLU B CD 1 ATOM 1456 O OE1 . GLU B 2 55 ? 9.757 -17.644 3.226 1.00 25.63 ? 52 GLU B OE1 1 ATOM 1457 O OE2 . GLU B 2 55 ? 10.362 -18.985 4.855 1.00 26.46 ? 52 GLU B OE2 1 ATOM 1458 N N . ASN B 2 56 ? 4.274 -19.262 5.089 1.00 13.53 ? 53 ASN B N 1 ATOM 1459 C CA . ASN B 2 56 ? 3.079 -18.562 5.546 1.00 13.02 ? 53 ASN B CA 1 ATOM 1460 C C . ASN B 2 56 ? 3.338 -17.079 5.788 1.00 12.43 ? 53 ASN B C 1 ATOM 1461 O O . ASN B 2 56 ? 4.395 -16.697 6.289 1.00 13.05 ? 53 ASN B O 1 ATOM 1462 C CB . ASN B 2 56 ? 2.528 -19.214 6.815 1.00 13.69 ? 53 ASN B CB 1 ATOM 1463 C CG . ASN B 2 56 ? 1.074 -19.622 6.676 1.00 13.67 ? 53 ASN B CG 1 ATOM 1464 O OD1 . ASN B 2 56 ? 0.760 -20.802 6.524 1.00 12.76 ? 53 ASN B OD1 1 ATOM 1465 N ND2 . ASN B 2 56 ? 0.178 -18.643 6.729 1.00 13.84 ? 53 ASN B ND2 1 ATOM 1466 N N . ASN B 2 57 ? 2.365 -16.247 5.430 1.00 13.35 ? 54 ASN B N 1 ATOM 1467 C CA . ASN B 2 57 ? 2.473 -14.789 5.641 1.00 13.40 ? 54 ASN B CA 1 ATOM 1468 C C . ASN B 2 57 ? 1.164 -14.303 6.278 1.00 13.45 ? 54 ASN B C 1 ATOM 1469 O O . ASN B 2 57 ? 0.261 -13.833 5.585 1.00 13.85 ? 54 ASN B O 1 ATOM 1470 C CB . ASN B 2 57 ? 2.719 -14.072 4.311 1.00 12.55 ? 54 ASN B CB 1 ATOM 1471 C CG . ASN B 2 57 ? 2.965 -12.571 4.481 1.00 15.05 ? 54 ASN B CG 1 ATOM 1472 O OD1 . ASN B 2 57 ? 3.282 -12.092 5.579 1.00 16.32 ? 54 ASN B OD1 1 ATOM 1473 N ND2 . ASN B 2 57 ? 2.820 -11.819 3.380 1.00 15.07 ? 54 ASN B ND2 1 ATOM 1474 N N . GLY B 2 58 ? 1.064 -14.431 7.598 1.00 12.18 ? 55 GLY B N 1 ATOM 1475 C CA . GLY B 2 58 ? -0.196 -14.185 8.272 1.00 10.69 ? 55 GLY B CA 1 ATOM 1476 C C . GLY B 2 58 ? -1.032 -15.443 8.099 1.00 10.92 ? 55 GLY B C 1 ATOM 1477 O O . GLY B 2 58 ? -0.758 -16.250 7.208 1.00 11.77 ? 55 GLY B O 1 ATOM 1478 N N . GLY B 2 59 ? -2.057 -15.607 8.933 1.00 9.18 ? 56 GLY B N 1 ATOM 1479 C CA . GLY B 2 59 ? -2.887 -16.797 8.914 1.00 6.87 ? 56 GLY B CA 1 ATOM 1480 C C . GLY B 2 59 ? -3.391 -17.297 7.574 1.00 6.12 ? 56 GLY B C 1 ATOM 1481 O O . GLY B 2 59 ? -3.320 -18.501 7.297 1.00 5.01 ? 56 GLY B O 1 ATOM 1482 N N . ALA B 2 60 ? -3.920 -16.399 6.748 1.00 6.14 ? 57 ALA B N 1 ATOM 1483 C CA . ALA B 2 60 ? -4.462 -16.811 5.451 1.00 7.41 ? 57 ALA B CA 1 ATOM 1484 C C . ALA B 2 60 ? -3.687 -16.207 4.293 1.00 9.07 ? 57 ALA B C 1 ATOM 1485 O O . ALA B 2 60 ? -4.220 -16.040 3.188 1.00 9.25 ? 57 ALA B O 1 ATOM 1486 C CB . ALA B 2 60 ? -5.915 -16.449 5.343 1.00 6.28 ? 57 ALA B CB 1 ATOM 1487 N N . GLY B 2 61 ? -2.429 -15.871 4.557 1.00 9.73 ? 58 GLY B N 1 ATOM 1488 C CA . GLY B 2 61 ? -1.568 -15.313 3.534 1.00 11.22 ? 58 GLY B CA 1 ATOM 1489 C C . GLY B 2 61 ? -0.380 -16.227 3.338 1.00 11.90 ? 58 GLY B C 1 ATOM 1490 O O . GLY B 2 61 ? 0.075 -16.874 4.283 1.00 12.47 ? 58 GLY B O 1 ATOM 1491 N N . CYS B 2 62 ? 0.117 -16.286 2.111 1.00 12.17 ? 59 CYS B N 1 ATOM 1492 C CA . CYS B 2 62 ? 1.273 -17.113 1.780 1.00 11.67 ? 59 CYS B CA 1 ATOM 1493 C C . CYS B 2 62 ? 2.295 -16.320 0.990 1.00 11.44 ? 59 CYS B C 1 ATOM 1494 O O . CYS B 2 62 ? 1.960 -15.353 0.303 1.00 12.94 ? 59 CYS B O 1 ATOM 1495 C CB . CYS B 2 62 ? 0.848 -18.312 0.940 1.00 11.20 ? 59 CYS B CB 1 ATOM 1496 S SG . CYS B 2 62 ? -0.313 -19.414 1.766 1.00 14.01 ? 59 CYS B SG 1 ATOM 1497 N N . VAL B 2 63 ? 3.545 -16.735 1.073 1.00 9.28 ? 60 VAL B N 1 ATOM 1498 C CA . VAL B 2 63 ? 4.584 -16.089 0.302 1.00 8.37 ? 60 VAL B CA 1 ATOM 1499 C C . VAL B 2 63 ? 5.484 -17.186 -0.221 1.00 9.21 ? 60 VAL B C 1 ATOM 1500 O O . VAL B 2 63 ? 5.673 -18.201 0.447 1.00 7.89 ? 60 VAL B O 1 ATOM 1501 C CB . VAL B 2 63 ? 5.403 -15.143 1.173 1.00 8.30 ? 60 VAL B CB 1 ATOM 1502 C CG1 . VAL B 2 63 ? 6.023 -15.912 2.348 1.00 9.34 ? 60 VAL B CG1 1 ATOM 1503 C CG2 . VAL B 2 63 ? 6.474 -14.486 0.346 1.00 7.39 ? 60 VAL B CG2 1 ATOM 1504 N N . CYS B 2 64 ? 6.011 -17.036 -1.425 1.00 10.17 ? 61 CYS B N 1 ATOM 1505 C CA . CYS B 2 64 ? 6.959 -18.044 -1.875 1.00 15.73 ? 61 CYS B CA 1 ATOM 1506 C C . CYS B 2 64 ? 8.114 -17.474 -2.718 1.00 13.89 ? 61 CYS B C 1 ATOM 1507 O O . CYS B 2 64 ? 7.903 -16.687 -3.626 1.00 14.61 ? 61 CYS B O 1 ATOM 1508 C CB . CYS B 2 64 ? 6.250 -19.256 -2.551 1.00 17.45 ? 61 CYS B CB 1 ATOM 1509 S SG . CYS B 2 64 ? 7.152 -19.756 -4.046 1.00 34.38 ? 61 CYS B SG 1 ATOM 1510 N N . HIS B 2 65 ? 9.337 -17.869 -2.373 1.00 13.60 ? 62 HIS B N 1 ATOM 1511 C CA . HIS B 2 65 ? 10.551 -17.372 -3.026 1.00 13.51 ? 62 HIS B CA 1 ATOM 1512 C C . HIS B 2 65 ? 11.044 -18.300 -4.113 1.00 13.57 ? 62 HIS B C 1 ATOM 1513 O O . HIS B 2 65 ? 11.610 -19.358 -3.823 1.00 15.03 ? 62 HIS B O 1 ATOM 1514 C CB . HIS B 2 65 ? 11.662 -17.217 -2.001 1.00 12.49 ? 62 HIS B CB 1 ATOM 1515 C CG . HIS B 2 65 ? 11.246 -16.432 -0.811 1.00 11.54 ? 62 HIS B CG 1 ATOM 1516 N ND1 . HIS B 2 65 ? 10.979 -15.082 -0.878 1.00 11.25 ? 62 HIS B ND1 1 ATOM 1517 C CD2 . HIS B 2 65 ? 10.995 -16.809 0.462 1.00 11.90 ? 62 HIS B CD2 1 ATOM 1518 C CE1 . HIS B 2 65 ? 10.591 -14.654 0.309 1.00 11.70 ? 62 HIS B CE1 1 ATOM 1519 N NE2 . HIS B 2 65 ? 10.593 -15.682 1.141 1.00 14.21 ? 62 HIS B NE2 1 ATOM 1520 N N . LEU B 2 66 ? 10.842 -17.896 -5.362 1.00 12.52 ? 63 LEU B N 1 ATOM 1521 C CA . LEU B 2 66 ? 11.270 -18.686 -6.502 1.00 10.77 ? 63 LEU B CA 1 ATOM 1522 C C . LEU B 2 66 ? 12.729 -18.397 -6.769 1.00 10.54 ? 63 LEU B C 1 ATOM 1523 O O . LEU B 2 66 ? 13.080 -17.253 -7.039 1.00 10.14 ? 63 LEU B O 1 ATOM 1524 C CB . LEU B 2 66 ? 10.459 -18.298 -7.722 1.00 9.07 ? 63 LEU B CB 1 ATOM 1525 C CG . LEU B 2 66 ? 8.958 -18.285 -7.471 1.00 6.17 ? 63 LEU B CG 1 ATOM 1526 C CD1 . LEU B 2 66 ? 8.268 -18.078 -8.794 1.00 5.73 ? 63 LEU B CD1 1 ATOM 1527 C CD2 . LEU B 2 66 ? 8.531 -19.592 -6.861 1.00 3.95 ? 63 LEU B CD2 1 ATOM 1528 N N . LEU B 2 67 ? 13.565 -19.434 -6.686 1.00 10.17 ? 64 LEU B N 1 ATOM 1529 C CA . LEU B 2 67 ? 15.009 -19.310 -6.905 1.00 10.02 ? 64 LEU B CA 1 ATOM 1530 C C . LEU B 2 67 ? 15.376 -19.485 -8.365 1.00 10.33 ? 64 LEU B C 1 ATOM 1531 O O . LEU B 2 67 ? 14.926 -20.417 -9.031 1.00 9.36 ? 64 LEU B O 1 ATOM 1532 C CB . LEU B 2 67 ? 15.755 -20.358 -6.089 1.00 10.37 ? 64 LEU B CB 1 ATOM 1533 C CG . LEU B 2 67 ? 16.348 -19.966 -4.738 1.00 12.24 ? 64 LEU B CG 1 ATOM 1534 C CD1 . LEU B 2 67 ? 15.589 -18.819 -4.088 1.00 9.60 ? 64 LEU B CD1 1 ATOM 1535 C CD2 . LEU B 2 67 ? 16.424 -21.185 -3.824 1.00 9.25 ? 64 LEU B CD2 1 ATOM 1536 N N . MET B 2 68 ? 16.211 -18.586 -8.860 1.00 11.64 ? 65 MET B N 1 ATOM 1537 C CA . MET B 2 68 ? 16.624 -18.635 -10.249 1.00 13.65 ? 65 MET B CA 1 ATOM 1538 C C . MET B 2 68 ? 18.130 -18.586 -10.422 1.00 14.14 ? 65 MET B C 1 ATOM 1539 O O . MET B 2 68 ? 18.828 -17.862 -9.721 1.00 13.66 ? 65 MET B O 1 ATOM 1540 C CB . MET B 2 68 ? 15.963 -17.499 -11.017 1.00 14.91 ? 65 MET B CB 1 ATOM 1541 C CG . MET B 2 68 ? 14.449 -17.569 -10.946 1.00 17.88 ? 65 MET B CG 1 ATOM 1542 S SD . MET B 2 68 ? 13.624 -16.098 -11.567 1.00 22.18 ? 65 MET B SD 1 ATOM 1543 C CE . MET B 2 68 ? 11.899 -16.613 -11.445 1.00 21.52 ? 65 MET B CE 1 ATOM 1544 N N . ASP B 2 69 ? 18.616 -19.373 -11.369 1.00 15.72 ? 66 ASP B N 1 ATOM 1545 C CA . ASP B 2 69 ? 20.025 -19.378 -11.722 1.00 16.80 ? 66 ASP B CA 1 ATOM 1546 C C . ASP B 2 69 ? 20.520 -18.021 -12.232 1.00 16.51 ? 66 ASP B C 1 ATOM 1547 O O . ASP B 2 69 ? 21.532 -17.514 -11.767 1.00 16.48 ? 66 ASP B O 1 ATOM 1548 C CB . ASP B 2 69 ? 20.254 -20.423 -12.797 1.00 18.38 ? 66 ASP B CB 1 ATOM 1549 C CG . ASP B 2 69 ? 21.703 -20.610 -13.103 1.00 19.66 ? 66 ASP B CG 1 ATOM 1550 O OD1 . ASP B 2 69 ? 22.532 -20.292 -12.220 1.00 20.42 ? 66 ASP B OD1 1 ATOM 1551 O OD2 . ASP B 2 69 ? 22.003 -21.087 -14.217 1.00 22.37 ? 66 ASP B OD2 1 ATOM 1552 N N . ASP B 2 70 ? 19.807 -17.454 -13.199 1.00 16.45 ? 67 ASP B N 1 ATOM 1553 C CA . ASP B 2 70 ? 20.137 -16.144 -13.760 1.00 15.38 ? 67 ASP B CA 1 ATOM 1554 C C . ASP B 2 70 ? 18.829 -15.518 -14.205 1.00 13.45 ? 67 ASP B C 1 ATOM 1555 O O . ASP B 2 70 ? 17.786 -16.168 -14.165 1.00 13.72 ? 67 ASP B O 1 ATOM 1556 C CB . ASP B 2 70 ? 21.073 -16.284 -14.975 1.00 18.08 ? 67 ASP B CB 1 ATOM 1557 C CG . ASP B 2 70 ? 22.147 -15.206 -15.018 1.00 20.93 ? 67 ASP B CG 1 ATOM 1558 O OD1 . ASP B 2 70 ? 21.845 -14.041 -14.695 1.00 25.70 ? 67 ASP B OD1 1 ATOM 1559 O OD2 . ASP B 2 70 ? 23.301 -15.516 -15.371 1.00 23.14 ? 67 ASP B OD2 1 ATOM 1560 N N . VAL B 2 71 ? 18.885 -14.261 -14.628 1.00 11.53 ? 68 VAL B N 1 ATOM 1561 C CA . VAL B 2 71 ? 17.702 -13.533 -15.098 1.00 10.07 ? 68 VAL B CA 1 ATOM 1562 C C . VAL B 2 71 ? 18.106 -12.547 -16.202 1.00 9.04 ? 68 VAL B C 1 ATOM 1563 O O . VAL B 2 71 ? 19.139 -11.895 -16.102 1.00 9.72 ? 68 VAL B O 1 ATOM 1564 C CB . VAL B 2 71 ? 17.022 -12.738 -13.950 1.00 9.55 ? 68 VAL B CB 1 ATOM 1565 C CG1 . VAL B 2 71 ? 15.702 -12.200 -14.409 1.00 8.79 ? 68 VAL B CG1 1 ATOM 1566 C CG2 . VAL B 2 71 ? 16.787 -13.630 -12.737 1.00 9.62 ? 68 VAL B CG2 1 ATOM 1567 N N . VAL B 2 72 ? 17.316 -12.475 -17.271 1.00 7.70 ? 69 VAL B N 1 ATOM 1568 C CA . VAL B 2 72 ? 17.548 -11.515 -18.359 1.00 6.60 ? 69 VAL B CA 1 ATOM 1569 C C . VAL B 2 72 ? 16.176 -11.003 -18.803 1.00 7.27 ? 69 VAL B C 1 ATOM 1570 O O . VAL B 2 72 ? 15.159 -11.653 -18.560 1.00 6.23 ? 69 VAL B O 1 ATOM 1571 C CB . VAL B 2 72 ? 18.295 -12.145 -19.568 1.00 6.29 ? 69 VAL B CB 1 ATOM 1572 C CG1 . VAL B 2 72 ? 19.537 -12.877 -19.109 1.00 5.33 ? 69 VAL B CG1 1 ATOM 1573 C CG2 . VAL B 2 72 ? 17.399 -13.081 -20.339 1.00 7.59 ? 69 VAL B CG2 1 ATOM 1574 N N . SER B 2 73 ? 16.136 -9.849 -19.459 1.00 8.05 ? 70 SER B N 1 ATOM 1575 C CA . SER B 2 73 ? 14.854 -9.215 -19.804 1.00 9.20 ? 70 SER B CA 1 ATOM 1576 C C . SER B 2 73 ? 13.874 -10.077 -20.581 1.00 9.23 ? 70 SER B C 1 ATOM 1577 O O . SER B 2 73 ? 12.664 -10.042 -20.323 1.00 8.69 ? 70 SER B O 1 ATOM 1578 C CB . SER B 2 73 ? 15.085 -7.925 -20.586 1.00 9.06 ? 70 SER B CB 1 ATOM 1579 O OG . SER B 2 73 ? 15.801 -8.212 -21.766 1.00 13.69 ? 70 SER B OG 1 ATOM 1580 N N . ALA B 2 74 ? 14.398 -10.839 -21.537 1.00 9.40 ? 71 ALA B N 1 ATOM 1581 C CA . ALA B 2 74 ? 13.561 -11.707 -22.362 1.00 9.34 ? 71 ALA B CA 1 ATOM 1582 C C . ALA B 2 74 ? 12.804 -12.758 -21.561 1.00 9.08 ? 71 ALA B C 1 ATOM 1583 O O . ALA B 2 74 ? 11.696 -13.134 -21.933 1.00 9.98 ? 71 ALA B O 1 ATOM 1584 C CB . ALA B 2 74 ? 14.390 -12.371 -23.437 1.00 8.67 ? 71 ALA B CB 1 ATOM 1585 N N . ASP B 2 75 ? 13.389 -13.208 -20.452 1.00 9.10 ? 72 ASP B N 1 ATOM 1586 C CA . ASP B 2 75 ? 12.832 -14.312 -19.679 1.00 8.60 ? 72 ASP B CA 1 ATOM 1587 C C . ASP B 2 75 ? 11.451 -14.122 -19.111 1.00 8.55 ? 72 ASP B C 1 ATOM 1588 O O . ASP B 2 75 ? 11.167 -13.117 -18.478 1.00 9.73 ? 72 ASP B O 1 ATOM 1589 C CB . ASP B 2 75 ? 13.778 -14.677 -18.549 1.00 8.49 ? 72 ASP B CB 1 ATOM 1590 C CG . ASP B 2 75 ? 15.008 -15.379 -19.045 1.00 10.12 ? 72 ASP B CG 1 ATOM 1591 O OD1 . ASP B 2 75 ? 14.924 -16.004 -20.130 1.00 10.37 ? 72 ASP B OD1 1 ATOM 1592 O OD2 . ASP B 2 75 ? 16.050 -15.308 -18.355 1.00 12.41 ? 72 ASP B OD2 1 ATOM 1593 N N . GLN B 2 76 ? 10.607 -15.121 -19.325 1.00 9.51 ? 73 GLN B N 1 ATOM 1594 C CA . GLN B 2 76 ? 9.252 -15.133 -18.807 1.00 9.25 ? 73 GLN B CA 1 ATOM 1595 C C . GLN B 2 76 ? 8.995 -16.488 -18.189 1.00 8.15 ? 73 GLN B C 1 ATOM 1596 O O . GLN B 2 76 ? 9.529 -17.496 -18.645 1.00 9.04 ? 73 GLN B O 1 ATOM 1597 C CB . GLN B 2 76 ? 8.279 -14.901 -19.939 1.00 11.57 ? 73 GLN B CB 1 ATOM 1598 C CG . GLN B 2 76 ? 6.859 -14.939 -19.507 1.00 17.69 ? 73 GLN B CG 1 ATOM 1599 C CD . GLN B 2 76 ? 5.965 -14.260 -20.500 1.00 23.73 ? 73 GLN B CD 1 ATOM 1600 O OE1 . GLN B 2 76 ? 6.330 -13.228 -21.084 1.00 26.83 ? 73 GLN B OE1 1 ATOM 1601 N NE2 . GLN B 2 76 ? 4.773 -14.821 -20.699 1.00 25.11 ? 73 GLN B NE2 1 ATOM 1602 N N . TYR B 2 77 ? 8.165 -16.517 -17.161 1.00 7.94 ? 74 TYR B N 1 ATOM 1603 C CA . TYR B 2 77 ? 7.898 -17.748 -16.432 1.00 7.45 ? 74 TYR B CA 1 ATOM 1604 C C . TYR B 2 77 ? 6.427 -18.096 -16.340 1.00 8.26 ? 74 TYR B C 1 ATOM 1605 O O . TYR B 2 77 ? 5.563 -17.228 -16.272 1.00 8.11 ? 74 TYR B O 1 ATOM 1606 C CB . TYR B 2 77 ? 8.435 -17.618 -15.011 1.00 6.35 ? 74 TYR B CB 1 ATOM 1607 C CG . TYR B 2 77 ? 9.916 -17.847 -14.884 1.00 4.61 ? 74 TYR B CG 1 ATOM 1608 C CD1 . TYR B 2 77 ? 10.416 -19.107 -14.599 1.00 5.12 ? 74 TYR B CD1 1 ATOM 1609 C CD2 . TYR B 2 77 ? 10.816 -16.803 -15.040 1.00 4.47 ? 74 TYR B CD2 1 ATOM 1610 C CE1 . TYR B 2 77 ? 11.767 -19.325 -14.485 1.00 6.94 ? 74 TYR B CE1 1 ATOM 1611 C CE2 . TYR B 2 77 ? 12.181 -17.010 -14.930 1.00 4.54 ? 74 TYR B CE2 1 ATOM 1612 C CZ . TYR B 2 77 ? 12.646 -18.274 -14.661 1.00 5.71 ? 74 TYR B CZ 1 ATOM 1613 O OH . TYR B 2 77 ? 13.987 -18.498 -14.541 1.00 7.05 ? 74 TYR B OH 1 ATOM 1614 N N . THR B 2 78 ? 6.165 -19.391 -16.322 1.00 9.14 ? 75 THR B N 1 ATOM 1615 C CA . THR B 2 78 ? 4.831 -19.903 -16.111 1.00 9.35 ? 75 THR B CA 1 ATOM 1616 C C . THR B 2 78 ? 4.780 -20.201 -14.621 1.00 9.39 ? 75 THR B C 1 ATOM 1617 O O . THR B 2 78 ? 5.776 -20.639 -14.043 1.00 9.37 ? 75 THR B O 1 ATOM 1618 C CB . THR B 2 78 ? 4.619 -21.199 -16.896 1.00 9.02 ? 75 THR B CB 1 ATOM 1619 O OG1 . THR B 2 78 ? 5.006 -20.997 -18.258 1.00 9.29 ? 75 THR B OG1 1 ATOM 1620 C CG2 . THR B 2 78 ? 3.159 -21.595 -16.861 1.00 10.89 ? 75 THR B CG2 1 ATOM 1621 N N . LEU B 2 79 ? 3.635 -19.948 -14.001 1.00 9.61 ? 76 LEU B N 1 ATOM 1622 C CA . LEU B 2 79 ? 3.443 -20.240 -12.586 1.00 10.58 ? 76 LEU B CA 1 ATOM 1623 C C . LEU B 2 79 ? 2.179 -21.065 -12.416 1.00 11.38 ? 76 LEU B C 1 ATOM 1624 O O . LEU B 2 79 ? 1.145 -20.741 -12.999 1.00 13.96 ? 76 LEU B O 1 ATOM 1625 C CB . LEU B 2 79 ? 3.296 -18.938 -11.783 1.00 9.45 ? 76 LEU B CB 1 ATOM 1626 C CG . LEU B 2 79 ? 4.433 -17.908 -11.794 1.00 8.33 ? 76 LEU B CG 1 ATOM 1627 C CD1 . LEU B 2 79 ? 4.070 -16.716 -10.926 1.00 7.33 ? 76 LEU B CD1 1 ATOM 1628 C CD2 . LEU B 2 79 ? 5.711 -18.519 -11.284 1.00 8.03 ? 76 LEU B CD2 1 ATOM 1629 N N . ASP B 2 80 ? 2.250 -22.128 -11.625 1.00 10.91 ? 77 ASP B N 1 ATOM 1630 C CA . ASP B 2 80 ? 1.068 -22.938 -11.367 1.00 10.37 ? 77 ASP B CA 1 ATOM 1631 C C . ASP B 2 80 ? 0.977 -23.218 -9.874 1.00 10.57 ? 77 ASP B C 1 ATOM 1632 O O . ASP B 2 80 ? 1.832 -23.897 -9.311 1.00 11.13 ? 77 ASP B O 1 ATOM 1633 C CB . ASP B 2 80 ? 1.126 -24.250 -12.163 1.00 11.53 ? 77 ASP B CB 1 ATOM 1634 C CG . ASP B 2 80 ? 1.171 -24.025 -13.685 1.00 14.50 ? 77 ASP B CG 1 ATOM 1635 O OD1 . ASP B 2 80 ? 0.203 -23.457 -14.245 1.00 14.49 ? 77 ASP B OD1 1 ATOM 1636 O OD2 . ASP B 2 80 ? 2.172 -24.429 -14.328 1.00 15.17 ? 77 ASP B OD2 1 ATOM 1637 N N . LEU B 2 81 ? -0.048 -22.671 -9.228 1.00 10.63 ? 78 LEU B N 1 ATOM 1638 C CA . LEU B 2 81 ? -0.255 -22.880 -7.798 1.00 10.43 ? 78 LEU B CA 1 ATOM 1639 C C . LEU B 2 81 ? -1.164 -24.094 -7.584 1.00 10.71 ? 78 LEU B C 1 ATOM 1640 O O . LEU B 2 81 ? -2.313 -24.084 -8.019 1.00 9.41 ? 78 LEU B O 1 ATOM 1641 C CB . LEU B 2 81 ? -0.913 -21.643 -7.179 1.00 9.83 ? 78 LEU B CB 1 ATOM 1642 C CG . LEU B 2 81 ? -0.558 -21.298 -5.727 1.00 10.80 ? 78 LEU B CG 1 ATOM 1643 C CD1 . LEU B 2 81 ? -1.605 -20.353 -5.194 1.00 11.61 ? 78 LEU B CD1 1 ATOM 1644 C CD2 . LEU B 2 81 ? -0.429 -22.507 -4.810 1.00 9.78 ? 78 LEU B CD2 1 ATOM 1645 N N . TRP B 2 82 ? -0.656 -25.128 -6.916 1.00 11.48 ? 79 TRP B N 1 ATOM 1646 C CA . TRP B 2 82 ? -1.461 -26.322 -6.647 1.00 12.29 ? 79 TRP B CA 1 ATOM 1647 C C . TRP B 2 82 ? -1.774 -26.544 -5.180 1.00 13.38 ? 79 TRP B C 1 ATOM 1648 O O . TRP B 2 82 ? -0.963 -26.245 -4.303 1.00 13.66 ? 79 TRP B O 1 ATOM 1649 C CB . TRP B 2 82 ? -0.770 -27.591 -7.121 1.00 12.01 ? 79 TRP B CB 1 ATOM 1650 C CG . TRP B 2 82 ? -0.473 -27.655 -8.548 1.00 11.81 ? 79 TRP B CG 1 ATOM 1651 C CD1 . TRP B 2 82 ? 0.653 -27.204 -9.164 1.00 12.28 ? 79 TRP B CD1 1 ATOM 1652 C CD2 . TRP B 2 82 ? -1.293 -28.234 -9.567 1.00 12.45 ? 79 TRP B CD2 1 ATOM 1653 N NE1 . TRP B 2 82 ? 0.578 -27.448 -10.513 1.00 15.82 ? 79 TRP B NE1 1 ATOM 1654 C CE2 . TRP B 2 82 ? -0.610 -28.077 -10.787 1.00 13.18 ? 79 TRP B CE2 1 ATOM 1655 C CE3 . TRP B 2 82 ? -2.549 -28.858 -9.568 1.00 13.21 ? 79 TRP B CE3 1 ATOM 1656 C CZ2 . TRP B 2 82 ? -1.134 -28.524 -12.000 1.00 11.18 ? 79 TRP B CZ2 1 ATOM 1657 C CZ3 . TRP B 2 82 ? -3.071 -29.303 -10.779 1.00 11.48 ? 79 TRP B CZ3 1 ATOM 1658 C CH2 . TRP B 2 82 ? -2.361 -29.131 -11.977 1.00 10.48 ? 79 TRP B CH2 1 ATOM 1659 N N . ALA B 2 83 ? -2.955 -27.107 -4.942 1.00 13.69 ? 80 ALA B N 1 ATOM 1660 C CA . ALA B 2 83 ? -3.400 -27.507 -3.617 1.00 14.29 ? 80 ALA B CA 1 ATOM 1661 C C . ALA B 2 83 ? -3.795 -28.971 -3.772 1.00 14.54 ? 80 ALA B C 1 ATOM 1662 O O . ALA B 2 83 ? -4.967 -29.299 -3.854 1.00 15.68 ? 80 ALA B O 1 ATOM 1663 C CB . ALA B 2 83 ? -4.600 -26.664 -3.180 1.00 13.63 ? 80 ALA B CB 1 ATOM 1664 N N . GLY B 2 84 ? -2.809 -29.851 -3.840 1.00 15.03 ? 81 GLY B N 1 ATOM 1665 C CA . GLY B 2 84 ? -3.098 -31.251 -4.081 1.00 16.04 ? 81 GLY B CA 1 ATOM 1666 C C . GLY B 2 84 ? -3.192 -31.443 -5.574 1.00 17.75 ? 81 GLY B C 1 ATOM 1667 O O . GLY B 2 84 ? -2.241 -31.163 -6.295 1.00 18.08 ? 81 GLY B O 1 ATOM 1668 N N . GLN B 2 85 ? -4.340 -31.911 -6.046 1.00 19.45 ? 82 GLN B N 1 ATOM 1669 C CA . GLN B 2 85 ? -4.519 -32.155 -7.471 1.00 20.49 ? 82 GLN B CA 1 ATOM 1670 C C . GLN B 2 85 ? -5.329 -31.023 -8.078 1.00 20.11 ? 82 GLN B C 1 ATOM 1671 O O . GLN B 2 85 ? -5.653 -31.048 -9.262 1.00 20.49 ? 82 GLN B O 1 ATOM 1672 C CB . GLN B 2 85 ? -5.256 -33.468 -7.700 1.00 21.71 ? 82 GLN B CB 1 ATOM 1673 C CG . GLN B 2 85 ? -4.632 -34.697 -7.059 1.00 24.90 ? 82 GLN B CG 1 ATOM 1674 C CD . GLN B 2 85 ? -5.580 -35.898 -7.087 1.00 28.25 ? 82 GLN B CD 1 ATOM 1675 O OE1 . GLN B 2 85 ? -6.599 -35.917 -6.390 1.00 27.00 ? 82 GLN B OE1 1 ATOM 1676 N NE2 . GLN B 2 85 ? -5.250 -36.901 -7.906 1.00 29.42 ? 82 GLN B NE2 1 ATOM 1677 N N . GLN B 2 86 ? -5.657 -30.030 -7.260 1.00 19.31 ? 83 GLN B N 1 ATOM 1678 C CA . GLN B 2 86 ? -6.463 -28.913 -7.715 1.00 19.92 ? 83 GLN B CA 1 ATOM 1679 C C . GLN B 2 86 ? -5.641 -27.666 -8.073 1.00 19.99 ? 83 GLN B C 1 ATOM 1680 O O . GLN B 2 86 ? -5.092 -26.990 -7.188 1.00 21.16 ? 83 GLN B O 1 ATOM 1681 C CB . GLN B 2 86 ? -7.485 -28.557 -6.643 1.00 20.65 ? 83 GLN B CB 1 ATOM 1682 C CG . GLN B 2 86 ? -8.238 -27.284 -6.926 1.00 25.21 ? 83 GLN B CG 1 ATOM 1683 C CD . GLN B 2 86 ? -9.499 -27.531 -7.718 1.00 29.51 ? 83 GLN B CD 1 ATOM 1684 O OE1 . GLN B 2 86 ? -10.385 -28.255 -7.260 1.00 31.30 ? 83 GLN B OE1 1 ATOM 1685 N NE2 . GLN B 2 86 ? -9.597 -26.927 -8.907 1.00 29.81 ? 83 GLN B NE2 1 ATOM 1686 N N . LEU B 2 87 ? -5.563 -27.354 -9.366 1.00 17.14 ? 84 LEU B N 1 ATOM 1687 C CA . LEU B 2 87 ? -4.910 -26.126 -9.804 1.00 13.95 ? 84 LEU B CA 1 ATOM 1688 C C . LEU B 2 87 ? -5.699 -24.932 -9.267 1.00 12.39 ? 84 LEU B C 1 ATOM 1689 O O . LEU B 2 87 ? -6.852 -24.736 -9.623 1.00 12.29 ? 84 LEU B O 1 ATOM 1690 C CB . LEU B 2 87 ? -4.887 -26.065 -11.322 1.00 13.16 ? 84 LEU B CB 1 ATOM 1691 C CG . LEU B 2 87 ? -3.567 -25.775 -12.019 1.00 12.76 ? 84 LEU B CG 1 ATOM 1692 C CD1 . LEU B 2 87 ? -3.886 -25.434 -13.443 1.00 14.54 ? 84 LEU B CD1 1 ATOM 1693 C CD2 . LEU B 2 87 ? -2.805 -24.651 -11.377 1.00 11.80 ? 84 LEU B CD2 1 ATOM 1694 N N . LEU B 2 88 ? -5.090 -24.130 -8.410 1.00 11.70 ? 85 LEU B N 1 ATOM 1695 C CA . LEU B 2 88 ? -5.797 -22.968 -7.876 1.00 11.37 ? 85 LEU B CA 1 ATOM 1696 C C . LEU B 2 88 ? -5.700 -21.777 -8.798 1.00 11.57 ? 85 LEU B C 1 ATOM 1697 O O . LEU B 2 88 ? -6.666 -21.043 -8.958 1.00 13.14 ? 85 LEU B O 1 ATOM 1698 C CB . LEU B 2 88 ? -5.283 -22.582 -6.482 1.00 9.17 ? 85 LEU B CB 1 ATOM 1699 C CG . LEU B 2 88 ? -5.366 -23.678 -5.423 1.00 9.11 ? 85 LEU B CG 1 ATOM 1700 C CD1 . LEU B 2 88 ? -5.340 -23.063 -4.042 1.00 9.01 ? 85 LEU B CD1 1 ATOM 1701 C CD2 . LEU B 2 88 ? -6.623 -24.530 -5.607 1.00 8.38 ? 85 LEU B CD2 1 ATOM 1702 N N . TRP B 2 89 ? -4.537 -21.594 -9.413 1.00 11.47 ? 86 TRP B N 1 ATOM 1703 C CA . TRP B 2 89 ? -4.302 -20.425 -10.236 1.00 11.56 ? 86 TRP B CA 1 ATOM 1704 C C . TRP B 2 89 ? -3.134 -20.640 -11.206 1.00 12.60 ? 86 TRP B C 1 ATOM 1705 O O . TRP B 2 89 ? -2.198 -21.381 -10.905 1.00 12.22 ? 86 TRP B O 1 ATOM 1706 C CB . TRP B 2 89 ? -4.068 -19.226 -9.315 1.00 10.28 ? 86 TRP B CB 1 ATOM 1707 C CG . TRP B 2 89 ? -3.586 -18.028 -9.997 1.00 11.01 ? 86 TRP B CG 1 ATOM 1708 C CD1 . TRP B 2 89 ? -4.337 -17.079 -10.606 1.00 11.47 ? 86 TRP B CD1 1 ATOM 1709 C CD2 . TRP B 2 89 ? -2.225 -17.641 -10.167 1.00 12.89 ? 86 TRP B CD2 1 ATOM 1710 N NE1 . TRP B 2 89 ? -3.527 -16.108 -11.146 1.00 11.72 ? 86 TRP B NE1 1 ATOM 1711 C CE2 . TRP B 2 89 ? -2.223 -16.434 -10.896 1.00 12.92 ? 86 TRP B CE2 1 ATOM 1712 C CE3 . TRP B 2 89 ? -1.001 -18.196 -9.773 1.00 14.18 ? 86 TRP B CE3 1 ATOM 1713 C CZ2 . TRP B 2 89 ? -1.049 -15.771 -11.243 1.00 15.04 ? 86 TRP B CZ2 1 ATOM 1714 C CZ3 . TRP B 2 89 ? 0.168 -17.542 -10.119 1.00 15.26 ? 86 TRP B CZ3 1 ATOM 1715 C CH2 . TRP B 2 89 ? 0.135 -16.337 -10.847 1.00 16.76 ? 86 TRP B CH2 1 ATOM 1716 N N . LYS B 2 90 ? -3.207 -19.991 -12.368 1.00 13.99 ? 87 LYS B N 1 ATOM 1717 C CA . LYS B 2 90 ? -2.180 -20.092 -13.396 1.00 15.21 ? 87 LYS B CA 1 ATOM 1718 C C . LYS B 2 90 ? -1.828 -18.688 -13.898 1.00 15.58 ? 87 LYS B C 1 ATOM 1719 O O . LYS B 2 90 ? -2.718 -17.867 -14.120 1.00 16.71 ? 87 LYS B O 1 ATOM 1720 C CB . LYS B 2 90 ? -2.703 -20.950 -14.540 1.00 15.65 ? 87 LYS B CB 1 ATOM 1721 C CG . LYS B 2 90 ? -1.677 -21.297 -15.588 1.00 20.11 ? 87 LYS B CG 1 ATOM 1722 C CD . LYS B 2 90 ? -2.075 -22.597 -16.296 1.00 24.94 ? 87 LYS B CD 1 ATOM 1723 C CE . LYS B 2 90 ? -1.046 -23.007 -17.355 1.00 27.41 ? 87 LYS B CE 1 ATOM 1724 N NZ . LYS B 2 90 ? 0.353 -22.946 -16.837 1.00 29.33 ? 87 LYS B NZ 1 ATOM 1725 N N . GLY B 2 91 ? -0.540 -18.401 -14.074 1.00 14.26 ? 88 GLY B N 1 ATOM 1726 C CA . GLY B 2 91 ? -0.149 -17.078 -14.519 1.00 12.28 ? 88 GLY B CA 1 ATOM 1727 C C . GLY B 2 91 ? 1.235 -17.009 -15.116 1.00 11.95 ? 88 GLY B C 1 ATOM 1728 O O . GLY B 2 91 ? 1.962 -17.988 -15.126 1.00 13.10 ? 88 GLY B O 1 ATOM 1729 N N . SER B 2 92 ? 1.586 -15.838 -15.627 1.00 11.81 ? 89 SER B N 1 ATOM 1730 C CA . SER B 2 92 ? 2.892 -15.584 -16.182 1.00 11.97 ? 89 SER B CA 1 ATOM 1731 C C . SER B 2 92 ? 3.547 -14.482 -15.394 1.00 13.41 ? 89 SER B C 1 ATOM 1732 O O . SER B 2 92 ? 2.881 -13.639 -14.779 1.00 15.41 ? 89 SER B O 1 ATOM 1733 C CB . SER B 2 92 ? 2.785 -15.126 -17.619 1.00 11.61 ? 89 SER B CB 1 ATOM 1734 O OG . SER B 2 92 ? 2.108 -16.089 -18.388 1.00 16.00 ? 89 SER B OG 1 ATOM 1735 N N . PHE B 2 93 ? 4.869 -14.471 -15.446 1.00 13.06 ? 90 PHE B N 1 ATOM 1736 C CA . PHE B 2 93 ? 5.624 -13.510 -14.703 1.00 11.65 ? 90 PHE B CA 1 ATOM 1737 C C . PHE B 2 93 ? 6.926 -13.269 -15.427 1.00 11.20 ? 90 PHE B C 1 ATOM 1738 O O . PHE B 2 93 ? 7.660 -14.205 -15.725 1.00 12.19 ? 90 PHE B O 1 ATOM 1739 C CB . PHE B 2 93 ? 5.875 -14.056 -13.300 1.00 12.53 ? 90 PHE B CB 1 ATOM 1740 C CG . PHE B 2 93 ? 6.936 -13.333 -12.561 1.00 14.12 ? 90 PHE B CG 1 ATOM 1741 C CD1 . PHE B 2 93 ? 8.169 -13.915 -12.371 1.00 13.66 ? 90 PHE B CD1 1 ATOM 1742 C CD2 . PHE B 2 93 ? 6.710 -12.040 -12.083 1.00 17.03 ? 90 PHE B CD2 1 ATOM 1743 C CE1 . PHE B 2 93 ? 9.172 -13.233 -11.709 1.00 16.05 ? 90 PHE B CE1 1 ATOM 1744 C CE2 . PHE B 2 93 ? 7.700 -11.343 -11.418 1.00 16.88 ? 90 PHE B CE2 1 ATOM 1745 C CZ . PHE B 2 93 ? 8.939 -11.944 -11.230 1.00 18.58 ? 90 PHE B CZ 1 ATOM 1746 N N . LYS B 2 94 ? 7.198 -12.007 -15.722 1.00 10.92 ? 91 LYS B N 1 ATOM 1747 C CA . LYS B 2 94 ? 8.432 -11.599 -16.360 1.00 10.12 ? 91 LYS B CA 1 ATOM 1748 C C . LYS B 2 94 ? 9.274 -10.827 -15.331 1.00 9.55 ? 91 LYS B C 1 ATOM 1749 O O . LYS B 2 94 ? 8.997 -9.661 -15.031 1.00 9.71 ? 91 LYS B O 1 ATOM 1750 C CB . LYS B 2 94 ? 8.097 -10.693 -17.534 1.00 10.49 ? 91 LYS B CB 1 ATOM 1751 C CG . LYS B 2 94 ? 8.976 -10.898 -18.723 1.00 14.40 ? 91 LYS B CG 1 ATOM 1752 C CD . LYS B 2 94 ? 8.684 -9.863 -19.785 1.00 17.55 ? 91 LYS B CD 1 ATOM 1753 C CE . LYS B 2 94 ? 9.478 -10.157 -21.052 1.00 19.96 ? 91 LYS B CE 1 ATOM 1754 N NZ . LYS B 2 94 ? 9.594 -8.954 -21.934 1.00 21.54 ? 91 LYS B NZ 1 ATOM 1755 N N . PRO B 2 95 ? 10.313 -11.463 -14.780 1.00 8.70 ? 92 PRO B N 1 ATOM 1756 C CA . PRO B 2 95 ? 11.131 -10.792 -13.775 1.00 8.40 ? 92 PRO B CA 1 ATOM 1757 C C . PRO B 2 95 ? 11.483 -9.348 -14.083 1.00 9.21 ? 92 PRO B C 1 ATOM 1758 O O . PRO B 2 95 ? 11.304 -8.469 -13.230 1.00 9.89 ? 92 PRO B O 1 ATOM 1759 C CB . PRO B 2 95 ? 12.374 -11.660 -13.724 1.00 6.60 ? 92 PRO B CB 1 ATOM 1760 C CG . PRO B 2 95 ? 11.804 -13.035 -13.908 1.00 7.36 ? 92 PRO B CG 1 ATOM 1761 C CD . PRO B 2 95 ? 10.822 -12.822 -15.050 1.00 8.76 ? 92 PRO B CD 1 ATOM 1762 N N . SER B 2 96 ? 11.954 -9.096 -15.298 1.00 10.13 ? 93 SER B N 1 ATOM 1763 C CA . SER B 2 96 ? 12.411 -7.757 -15.666 1.00 10.07 ? 93 SER B CA 1 ATOM 1764 C C . SER B 2 96 ? 11.341 -6.689 -15.678 1.00 11.31 ? 93 SER B C 1 ATOM 1765 O O . SER B 2 96 ? 11.645 -5.532 -15.914 1.00 13.59 ? 93 SER B O 1 ATOM 1766 C CB . SER B 2 96 ? 13.091 -7.769 -17.026 1.00 8.53 ? 93 SER B CB 1 ATOM 1767 O OG . SER B 2 96 ? 12.149 -8.024 -18.040 1.00 7.36 ? 93 SER B OG 1 ATOM 1768 N N . GLU B 2 97 ? 10.091 -7.045 -15.441 1.00 12.25 ? 94 GLU B N 1 ATOM 1769 C CA . GLU B 2 97 ? 9.060 -6.019 -15.448 1.00 13.29 ? 94 GLU B CA 1 ATOM 1770 C C . GLU B 2 97 ? 8.552 -5.738 -14.050 1.00 13.45 ? 94 GLU B C 1 ATOM 1771 O O . GLU B 2 97 ? 7.681 -4.894 -13.868 1.00 12.82 ? 94 GLU B O 1 ATOM 1772 C CB . GLU B 2 97 ? 7.900 -6.417 -16.344 1.00 14.19 ? 94 GLU B CB 1 ATOM 1773 C CG . GLU B 2 97 ? 8.250 -6.523 -17.791 1.00 18.79 ? 94 GLU B CG 1 ATOM 1774 C CD . GLU B 2 97 ? 7.061 -6.958 -18.615 1.00 26.33 ? 94 GLU B CD 1 ATOM 1775 O OE1 . GLU B 2 97 ? 6.052 -7.414 -18.022 1.00 29.71 ? 94 GLU B OE1 1 ATOM 1776 O OE2 . GLU B 2 97 ? 7.130 -6.854 -19.859 1.00 30.24 ? 94 GLU B OE2 1 ATOM 1777 N N . HIS B 2 98 ? 9.096 -6.457 -13.066 1.00 13.27 ? 95 HIS B N 1 ATOM 1778 C CA . HIS B 2 98 ? 8.703 -6.261 -11.672 1.00 12.71 ? 95 HIS B CA 1 ATOM 1779 C C . HIS B 2 98 ? 9.898 -6.367 -10.732 1.00 11.40 ? 95 HIS B C 1 ATOM 1780 O O . HIS B 2 98 ? 9.895 -7.156 -9.782 1.00 11.17 ? 95 HIS B O 1 ATOM 1781 C CB . HIS B 2 98 ? 7.636 -7.274 -11.280 1.00 14.32 ? 95 HIS B CB 1 ATOM 1782 C CG . HIS B 2 98 ? 6.519 -7.383 -12.271 1.00 17.21 ? 95 HIS B CG 1 ATOM 1783 N ND1 . HIS B 2 98 ? 5.431 -6.538 -12.267 1.00 19.18 ? 95 HIS B ND1 1 ATOM 1784 C CD2 . HIS B 2 98 ? 6.326 -8.238 -13.304 1.00 19.09 ? 95 HIS B CD2 1 ATOM 1785 C CE1 . HIS B 2 98 ? 4.614 -6.867 -13.251 1.00 20.44 ? 95 HIS B CE1 1 ATOM 1786 N NE2 . HIS B 2 98 ? 5.135 -7.894 -13.898 1.00 21.21 ? 95 HIS B NE2 1 ATOM 1787 N N . VAL B 2 99 ? 10.902 -5.542 -10.987 1.00 9.23 ? 96 VAL B N 1 ATOM 1788 C CA . VAL B 2 99 ? 12.114 -5.560 -10.203 1.00 7.70 ? 96 VAL B CA 1 ATOM 1789 C C . VAL B 2 99 ? 12.051 -4.718 -8.937 1.00 7.93 ? 96 VAL B C 1 ATOM 1790 O O . VAL B 2 99 ? 11.622 -3.572 -8.962 1.00 8.04 ? 96 VAL B O 1 ATOM 1791 C CB . VAL B 2 99 ? 13.297 -5.075 -11.042 1.00 6.96 ? 96 VAL B CB 1 ATOM 1792 C CG1 . VAL B 2 99 ? 14.478 -4.850 -10.163 1.00 6.55 ? 96 VAL B CG1 1 ATOM 1793 C CG2 . VAL B 2 99 ? 13.638 -6.101 -12.108 1.00 8.28 ? 96 VAL B CG2 1 ATOM 1794 N N . LYS B 2 100 ? 12.473 -5.309 -7.825 1.00 9.66 ? 97 LYS B N 1 ATOM 1795 C CA . LYS B 2 100 ? 12.663 -4.583 -6.562 1.00 10.08 ? 97 LYS B CA 1 ATOM 1796 C C . LYS B 2 100 ? 14.091 -4.951 -6.119 1.00 9.44 ? 97 LYS B C 1 ATOM 1797 O O . LYS B 2 100 ? 14.360 -6.078 -5.726 1.00 9.01 ? 97 LYS B O 1 ATOM 1798 C CB . LYS B 2 100 ? 11.624 -4.988 -5.498 1.00 10.02 ? 97 LYS B CB 1 ATOM 1799 C CG . LYS B 2 100 ? 12.035 -4.593 -4.095 1.00 11.00 ? 97 LYS B CG 1 ATOM 1800 C CD . LYS B 2 100 ? 11.002 -4.967 -3.064 1.00 12.70 ? 97 LYS B CD 1 ATOM 1801 C CE . LYS B 2 100 ? 11.265 -4.246 -1.742 1.00 13.99 ? 97 LYS B CE 1 ATOM 1802 N NZ . LYS B 2 100 ? 10.101 -4.454 -0.822 1.00 16.86 ? 97 LYS B NZ 1 ATOM 1803 N N . PRO B 2 101 ? 15.018 -3.995 -6.200 1.00 8.88 ? 98 PRO B N 1 ATOM 1804 C CA . PRO B 2 101 ? 16.441 -4.146 -5.905 1.00 8.56 ? 98 PRO B CA 1 ATOM 1805 C C . PRO B 2 101 ? 16.730 -4.557 -4.477 1.00 9.42 ? 98 PRO B C 1 ATOM 1806 O O . PRO B 2 101 ? 15.924 -4.303 -3.580 1.00 10.93 ? 98 PRO B O 1 ATOM 1807 C CB . PRO B 2 101 ? 16.996 -2.748 -6.155 1.00 8.33 ? 98 PRO B CB 1 ATOM 1808 C CG . PRO B 2 101 ? 16.006 -2.123 -7.044 1.00 9.61 ? 98 PRO B CG 1 ATOM 1809 C CD . PRO B 2 101 ? 14.703 -2.600 -6.521 1.00 8.51 ? 98 PRO B CD 1 ATOM 1810 N N . ARG B 2 102 ? 17.874 -5.208 -4.285 1.00 9.09 ? 99 ARG B N 1 ATOM 1811 C CA . ARG B 2 102 ? 18.282 -5.639 -2.968 1.00 9.12 ? 99 ARG B CA 1 ATOM 1812 C C . ARG B 2 102 ? 18.673 -4.359 -2.231 1.00 10.63 ? 99 ARG B C 1 ATOM 1813 O O . ARG B 2 102 ? 19.156 -3.398 -2.846 1.00 10.59 ? 99 ARG B O 1 ATOM 1814 C CB . ARG B 2 102 ? 19.456 -6.620 -3.062 1.00 7.61 ? 99 ARG B CB 1 ATOM 1815 C CG . ARG B 2 102 ? 19.090 -7.987 -3.660 1.00 5.73 ? 99 ARG B CG 1 ATOM 1816 C CD . ARG B 2 102 ? 20.180 -8.993 -3.357 1.00 3.23 ? 99 ARG B CD 1 ATOM 1817 N NE . ARG B 2 102 ? 19.847 -10.345 -3.766 1.00 2.03 ? 99 ARG B NE 1 ATOM 1818 C CZ . ARG B 2 102 ? 20.659 -11.377 -3.572 1.00 2.09 ? 99 ARG B CZ 1 ATOM 1819 N NH1 . ARG B 2 102 ? 21.827 -11.181 -2.981 1.00 3.35 ? 99 ARG B NH1 1 ATOM 1820 N NH2 . ARG B 2 102 ? 20.315 -12.595 -3.974 1.00 2.00 ? 99 ARG B NH2 1 ATOM 1821 N N . ALA B 2 103 ? 18.431 -4.323 -0.923 1.00 11.33 ? 100 ALA B N 1 ATOM 1822 C CA . ALA B 2 103 ? 18.803 -3.156 -0.143 1.00 11.52 ? 100 ALA B CA 1 ATOM 1823 C C . ALA B 2 103 ? 20.316 -2.977 -0.119 1.00 12.40 ? 100 ALA B C 1 ATOM 1824 O O . ALA B 2 103 ? 21.063 -3.948 -0.029 1.00 12.70 ? 100 ALA B O 1 ATOM 1825 C CB . ALA B 2 103 ? 18.283 -3.287 1.258 1.00 11.35 ? 100 ALA B CB 1 ATOM 1826 N N . PRO B 2 104 ? 20.787 -1.726 -0.182 1.00 14.26 ? 101 PRO B N 1 ATOM 1827 C CA . PRO B 2 104 ? 22.228 -1.462 -0.116 1.00 15.64 ? 101 PRO B CA 1 ATOM 1828 C C . PRO B 2 104 ? 22.716 -1.717 1.302 1.00 16.90 ? 101 PRO B C 1 ATOM 1829 O O . PRO B 2 104 ? 21.923 -1.681 2.239 1.00 16.97 ? 101 PRO B O 1 ATOM 1830 C CB . PRO B 2 104 ? 22.336 0.029 -0.447 1.00 15.55 ? 101 PRO B CB 1 ATOM 1831 C CG . PRO B 2 104 ? 20.999 0.402 -1.023 1.00 15.58 ? 101 PRO B CG 1 ATOM 1832 C CD . PRO B 2 104 ? 20.018 -0.483 -0.324 1.00 14.14 ? 101 PRO B CD 1 ATOM 1833 N N . GLY B 2 105 ? 24.006 -1.972 1.471 1.00 19.16 ? 102 GLY B N 1 ATOM 1834 C CA . GLY B 2 105 ? 24.525 -2.200 2.808 1.00 21.94 ? 102 GLY B CA 1 ATOM 1835 C C . GLY B 2 105 ? 25.843 -1.500 3.062 1.00 24.54 ? 102 GLY B C 1 ATOM 1836 O O . GLY B 2 105 ? 26.327 -0.742 2.211 1.00 24.51 ? 102 GLY B O 1 ATOM 1837 N N . ASN B 2 106 ? 26.415 -1.762 4.239 1.00 26.85 ? 103 ASN B N 1 ATOM 1838 C CA . ASN B 2 106 ? 27.714 -1.225 4.646 1.00 29.29 ? 103 ASN B CA 1 ATOM 1839 C C . ASN B 2 106 ? 27.741 0.289 4.743 1.00 29.94 ? 103 ASN B C 1 ATOM 1840 O O . ASN B 2 106 ? 28.708 0.937 4.319 1.00 29.44 ? 103 ASN B O 1 ATOM 1841 C CB . ASN B 2 106 ? 28.820 -1.705 3.707 1.00 30.88 ? 103 ASN B CB 1 ATOM 1842 C CG . ASN B 2 106 ? 28.953 -3.204 3.698 1.00 35.62 ? 103 ASN B CG 1 ATOM 1843 O OD1 . ASN B 2 106 ? 28.981 -3.829 4.756 1.00 37.78 ? 103 ASN B OD1 1 ATOM 1844 N ND2 . ASN B 2 106 ? 29.028 -3.792 2.501 1.00 40.50 ? 103 ASN B ND2 1 ATOM 1845 N N . LEU B 2 107 ? 26.679 0.854 5.309 1.00 30.58 ? 104 LEU B N 1 ATOM 1846 C CA . LEU B 2 107 ? 26.598 2.295 5.440 1.00 31.88 ? 104 LEU B CA 1 ATOM 1847 C C . LEU B 2 107 ? 27.558 2.765 6.514 1.00 34.11 ? 104 LEU B C 1 ATOM 1848 O O . LEU B 2 107 ? 27.368 2.480 7.698 1.00 34.68 ? 104 LEU B O 1 ATOM 1849 C CB . LEU B 2 107 ? 25.180 2.733 5.794 1.00 30.18 ? 104 LEU B CB 1 ATOM 1850 C CG . LEU B 2 107 ? 24.967 4.248 5.836 1.00 29.14 ? 104 LEU B CG 1 ATOM 1851 C CD1 . LEU B 2 107 ? 25.365 4.880 4.503 1.00 28.38 ? 104 LEU B CD1 1 ATOM 1852 C CD2 . LEU B 2 107 ? 23.520 4.545 6.150 1.00 28.52 ? 104 LEU B CD2 1 ATOM 1853 N N . THR B 2 108 ? 28.594 3.482 6.100 1.00 36.13 ? 105 THR B N 1 ATOM 1854 C CA . THR B 2 108 ? 29.560 4.002 7.053 1.00 38.69 ? 105 THR B CA 1 ATOM 1855 C C . THR B 2 108 ? 29.729 5.515 6.941 1.00 40.10 ? 105 THR B C 1 ATOM 1856 O O . THR B 2 108 ? 29.640 6.084 5.851 1.00 39.60 ? 105 THR B O 1 ATOM 1857 C CB . THR B 2 108 ? 30.904 3.300 6.884 1.00 39.07 ? 105 THR B CB 1 ATOM 1858 O OG1 . THR B 2 108 ? 31.337 3.445 5.531 1.00 40.92 ? 105 THR B OG1 1 ATOM 1859 C CG2 . THR B 2 108 ? 30.767 1.800 7.203 1.00 39.42 ? 105 THR B CG2 1 ATOM 1860 N N . VAL B 2 109 ? 29.962 6.152 8.087 1.00 42.14 ? 106 VAL B N 1 ATOM 1861 C CA . VAL B 2 109 ? 30.115 7.608 8.182 1.00 44.00 ? 106 VAL B CA 1 ATOM 1862 C C . VAL B 2 109 ? 31.574 8.037 8.390 1.00 45.06 ? 106 VAL B C 1 ATOM 1863 O O . VAL B 2 109 ? 32.269 7.500 9.249 1.00 44.46 ? 106 VAL B O 1 ATOM 1864 C CB . VAL B 2 109 ? 29.265 8.170 9.340 1.00 44.09 ? 106 VAL B CB 1 ATOM 1865 C CG1 . VAL B 2 109 ? 29.234 9.678 9.287 1.00 45.42 ? 106 VAL B CG1 1 ATOM 1866 C CG2 . VAL B 2 109 ? 27.853 7.626 9.266 1.00 45.07 ? 106 VAL B CG2 1 ATOM 1867 N N . HIS B 2 110 ? 32.024 9.011 7.599 1.00 46.94 ? 107 HIS B N 1 ATOM 1868 C CA . HIS B 2 110 ? 33.400 9.507 7.671 1.00 48.57 ? 107 HIS B CA 1 ATOM 1869 C C . HIS B 2 110 ? 33.441 10.937 8.174 1.00 49.35 ? 107 HIS B C 1 ATOM 1870 O O . HIS B 2 110 ? 32.759 11.811 7.634 1.00 49.63 ? 107 HIS B O 1 ATOM 1871 C CB . HIS B 2 110 ? 34.066 9.441 6.299 1.00 49.34 ? 107 HIS B CB 1 ATOM 1872 C CG . HIS B 2 110 ? 34.021 8.083 5.673 1.00 50.67 ? 107 HIS B CG 1 ATOM 1873 N ND1 . HIS B 2 110 ? 34.358 7.861 4.356 1.00 52.22 ? 107 HIS B ND1 1 ATOM 1874 C CD2 . HIS B 2 110 ? 33.667 6.878 6.179 1.00 50.97 ? 107 HIS B CD2 1 ATOM 1875 C CE1 . HIS B 2 110 ? 34.216 6.578 4.077 1.00 52.16 ? 107 HIS B CE1 1 ATOM 1876 N NE2 . HIS B 2 110 ? 33.795 5.961 5.166 1.00 52.49 ? 107 HIS B NE2 1 ATOM 1877 N N . THR B 2 111 ? 34.255 11.171 9.199 1.00 49.97 ? 108 THR B N 1 ATOM 1878 C CA . THR B 2 111 ? 34.347 12.488 9.833 1.00 50.52 ? 108 THR B CA 1 ATOM 1879 C C . THR B 2 111 ? 35.795 12.965 9.982 1.00 50.91 ? 108 THR B C 1 ATOM 1880 O O . THR B 2 111 ? 36.239 13.285 11.086 1.00 50.49 ? 108 THR B O 1 ATOM 1881 C CB . THR B 2 111 ? 33.693 12.476 11.232 1.00 50.05 ? 108 THR B CB 1 ATOM 1882 O OG1 . THR B 2 111 ? 34.451 11.628 12.101 1.00 50.37 ? 108 THR B OG1 1 ATOM 1883 C CG2 . THR B 2 111 ? 32.272 11.945 11.159 1.00 49.53 ? 108 THR B CG2 1 ATOM 1884 N N . GLN B 2 112 ? 36.525 13.010 8.868 1.00 51.62 ? 109 GLN B N 1 ATOM 1885 C CA . GLN B 2 112 ? 37.924 13.445 8.881 1.00 52.08 ? 109 GLN B CA 1 ATOM 1886 C C . GLN B 2 112 ? 38.053 14.947 8.651 1.00 51.61 ? 109 GLN B C 1 ATOM 1887 O O . GLN B 2 112 ? 38.809 15.629 9.345 1.00 51.68 ? 109 GLN B O 1 ATOM 1888 C CB . GLN B 2 112 ? 38.726 12.680 7.827 1.00 53.48 ? 109 GLN B CB 1 ATOM 1889 C CG . GLN B 2 112 ? 38.798 11.166 8.070 1.00 56.53 ? 109 GLN B CG 1 ATOM 1890 C CD . GLN B 2 112 ? 39.544 10.791 9.360 1.00 58.36 ? 109 GLN B CD 1 ATOM 1891 O OE1 . GLN B 2 112 ? 40.663 11.258 9.612 1.00 57.98 ? 109 GLN B OE1 1 ATOM 1892 N NE2 . GLN B 2 112 ? 38.923 9.934 10.173 1.00 58.42 ? 109 GLN B NE2 1 ATOM 1893 N N . VAL B 2 113 ? 37.309 15.448 7.667 1.00 51.37 ? 110 VAL B N 1 ATOM 1894 C CA . VAL B 2 113 ? 37.264 16.871 7.340 1.00 49.98 ? 110 VAL B CA 1 ATOM 1895 C C . VAL B 2 113 ? 36.128 17.508 8.140 1.00 49.51 ? 110 VAL B C 1 ATOM 1896 O O . VAL B 2 113 ? 35.211 16.816 8.572 1.00 49.44 ? 110 VAL B O 1 ATOM 1897 C CB . VAL B 2 113 ? 37.038 17.068 5.828 1.00 49.10 ? 110 VAL B CB 1 ATOM 1898 C CG1 . VAL B 2 113 ? 36.798 18.531 5.501 1.00 49.73 ? 110 VAL B CG1 1 ATOM 1899 C CG2 . VAL B 2 113 ? 38.235 16.535 5.054 1.00 48.33 ? 110 VAL B CG2 1 ATOM 1900 N N . SER B 2 114 ? 36.187 18.818 8.341 1.00 49.54 ? 111 SER B N 1 ATOM 1901 C CA . SER B 2 114 ? 35.181 19.502 9.145 1.00 50.05 ? 111 SER B CA 1 ATOM 1902 C C . SER B 2 114 ? 34.050 20.151 8.355 1.00 50.43 ? 111 SER B C 1 ATOM 1903 O O . SER B 2 114 ? 32.932 20.258 8.856 1.00 50.57 ? 111 SER B O 1 ATOM 1904 C CB . SER B 2 114 ? 35.847 20.545 10.035 1.00 50.22 ? 111 SER B CB 1 ATOM 1905 O OG . SER B 2 114 ? 36.852 19.944 10.827 1.00 50.28 ? 111 SER B OG 1 ATOM 1906 N N . ASP B 2 115 ? 34.338 20.592 7.134 1.00 50.53 ? 112 ASP B N 1 ATOM 1907 C CA . ASP B 2 115 ? 33.323 21.220 6.294 1.00 50.60 ? 112 ASP B CA 1 ATOM 1908 C C . ASP B 2 115 ? 32.159 20.271 6.074 1.00 49.82 ? 112 ASP B C 1 ATOM 1909 O O . ASP B 2 115 ? 31.038 20.512 6.536 1.00 49.55 ? 112 ASP B O 1 ATOM 1910 C CB . ASP B 2 115 ? 33.898 21.583 4.921 1.00 52.04 ? 112 ASP B CB 1 ATOM 1911 C CG . ASP B 2 115 ? 35.021 22.584 5.001 1.00 54.39 ? 112 ASP B CG 1 ATOM 1912 O OD1 . ASP B 2 115 ? 34.842 23.632 5.662 1.00 57.61 ? 112 ASP B OD1 1 ATOM 1913 O OD2 . ASP B 2 115 ? 36.082 22.331 4.392 1.00 55.77 ? 112 ASP B OD2 1 ATOM 1914 N N . THR B 2 116 ? 32.460 19.182 5.371 1.00 48.09 ? 113 THR B N 1 ATOM 1915 C CA . THR B 2 116 ? 31.467 18.217 4.934 1.00 46.24 ? 113 THR B CA 1 ATOM 1916 C C . THR B 2 116 ? 31.557 16.857 5.617 1.00 44.42 ? 113 THR B C 1 ATOM 1917 O O . THR B 2 116 ? 32.634 16.406 6.004 1.00 43.82 ? 113 THR B O 1 ATOM 1918 C CB . THR B 2 116 ? 31.579 18.011 3.418 1.00 46.54 ? 113 THR B CB 1 ATOM 1919 O OG1 . THR B 2 116 ? 32.950 17.733 3.086 1.00 47.06 ? 113 THR B OG1 1 ATOM 1920 C CG2 . THR B 2 116 ? 31.134 19.274 2.675 1.00 46.30 ? 113 THR B CG2 1 ATOM 1921 N N . LEU B 2 117 ? 30.404 16.216 5.764 1.00 42.61 ? 114 LEU B N 1 ATOM 1922 C CA . LEU B 2 117 ? 30.326 14.878 6.324 1.00 40.83 ? 114 LEU B CA 1 ATOM 1923 C C . LEU B 2 117 ? 30.198 13.897 5.164 1.00 39.95 ? 114 LEU B C 1 ATOM 1924 O O . LEU B 2 117 ? 29.371 14.094 4.270 1.00 39.25 ? 114 LEU B O 1 ATOM 1925 C CB . LEU B 2 117 ? 29.104 14.762 7.228 1.00 40.69 ? 114 LEU B CB 1 ATOM 1926 C CG . LEU B 2 117 ? 28.861 13.383 7.833 1.00 40.40 ? 114 LEU B CG 1 ATOM 1927 C CD1 . LEU B 2 117 ? 29.921 13.104 8.872 1.00 40.67 ? 114 LEU B CD1 1 ATOM 1928 C CD2 . LEU B 2 117 ? 27.474 13.295 8.440 1.00 39.35 ? 114 LEU B CD2 1 ATOM 1929 N N . LEU B 2 118 ? 31.011 12.845 5.178 1.00 38.68 ? 115 LEU B N 1 ATOM 1930 C CA . LEU B 2 118 ? 30.996 11.864 4.096 1.00 37.72 ? 115 LEU B CA 1 ATOM 1931 C C . LEU B 2 118 ? 30.309 10.553 4.467 1.00 36.96 ? 115 LEU B C 1 ATOM 1932 O O . LEU B 2 118 ? 30.642 9.921 5.473 1.00 36.68 ? 115 LEU B O 1 ATOM 1933 C CB . LEU B 2 118 ? 32.419 11.578 3.594 1.00 37.27 ? 115 LEU B CB 1 ATOM 1934 C CG . LEU B 2 118 ? 32.532 10.583 2.430 1.00 36.60 ? 115 LEU B CG 1 ATOM 1935 C CD1 . LEU B 2 118 ? 31.786 11.088 1.199 1.00 35.32 ? 115 LEU B CD1 1 ATOM 1936 C CD2 . LEU B 2 118 ? 33.991 10.328 2.096 1.00 36.31 ? 115 LEU B CD2 1 ATOM 1937 N N . LEU B 2 119 ? 29.354 10.154 3.630 1.00 35.57 ? 116 LEU B N 1 ATOM 1938 C CA . LEU B 2 119 ? 28.623 8.901 3.802 1.00 34.66 ? 116 LEU B CA 1 ATOM 1939 C C . LEU B 2 119 ? 28.871 7.939 2.624 1.00 33.17 ? 116 LEU B C 1 ATOM 1940 O O . LEU B 2 119 ? 28.741 8.317 1.455 1.00 32.99 ? 116 LEU B O 1 ATOM 1941 C CB . LEU B 2 119 ? 27.121 9.183 3.968 1.00 34.75 ? 116 LEU B CB 1 ATOM 1942 C CG . LEU B 2 119 ? 26.587 9.522 5.371 1.00 34.76 ? 116 LEU B CG 1 ATOM 1943 C CD1 . LEU B 2 119 ? 25.113 9.864 5.316 1.00 33.89 ? 116 LEU B CD1 1 ATOM 1944 C CD2 . LEU B 2 119 ? 26.793 8.348 6.320 1.00 35.28 ? 116 LEU B CD2 1 ATOM 1945 N N . THR B 2 120 ? 29.256 6.702 2.935 1.00 31.13 ? 117 THR B N 1 ATOM 1946 C CA . THR B 2 120 ? 29.483 5.698 1.899 1.00 28.70 ? 117 THR B CA 1 ATOM 1947 C C . THR B 2 120 ? 28.774 4.397 2.233 1.00 28.08 ? 117 THR B C 1 ATOM 1948 O O . THR B 2 120 ? 28.594 4.045 3.407 1.00 27.58 ? 117 THR B O 1 ATOM 1949 C CB . THR B 2 120 ? 30.972 5.378 1.695 1.00 28.16 ? 117 THR B CB 1 ATOM 1950 O OG1 . THR B 2 120 ? 31.398 4.423 2.674 1.00 25.24 ? 117 THR B OG1 1 ATOM 1951 C CG2 . THR B 2 120 ? 31.813 6.634 1.812 1.00 28.52 ? 117 THR B CG2 1 ATOM 1952 N N . TRP B 2 121 ? 28.378 3.689 1.182 1.00 26.81 ? 118 TRP B N 1 ATOM 1953 C CA . TRP B 2 121 ? 27.715 2.400 1.312 1.00 25.09 ? 118 TRP B CA 1 ATOM 1954 C C . TRP B 2 121 ? 28.096 1.527 0.134 1.00 23.49 ? 118 TRP B C 1 ATOM 1955 O O . TRP B 2 121 ? 28.797 1.980 -0.774 1.00 23.07 ? 118 TRP B O 1 ATOM 1956 C CB . TRP B 2 121 ? 26.198 2.582 1.374 1.00 25.23 ? 118 TRP B CB 1 ATOM 1957 C CG . TRP B 2 121 ? 25.617 3.296 0.201 1.00 25.07 ? 118 TRP B CG 1 ATOM 1958 C CD1 . TRP B 2 121 ? 25.088 2.730 -0.918 1.00 25.72 ? 118 TRP B CD1 1 ATOM 1959 C CD2 . TRP B 2 121 ? 25.502 4.709 0.028 1.00 25.86 ? 118 TRP B CD2 1 ATOM 1960 N NE1 . TRP B 2 121 ? 24.644 3.704 -1.780 1.00 25.78 ? 118 TRP B NE1 1 ATOM 1961 C CE2 . TRP B 2 121 ? 24.884 4.930 -1.223 1.00 25.68 ? 118 TRP B CE2 1 ATOM 1962 C CE3 . TRP B 2 121 ? 25.857 5.815 0.811 1.00 28.08 ? 118 TRP B CE3 1 ATOM 1963 C CZ2 . TRP B 2 121 ? 24.610 6.207 -1.714 1.00 26.02 ? 118 TRP B CZ2 1 ATOM 1964 C CZ3 . TRP B 2 121 ? 25.583 7.098 0.320 1.00 28.66 ? 118 TRP B CZ3 1 ATOM 1965 C CH2 . TRP B 2 121 ? 24.967 7.276 -0.932 1.00 27.96 ? 118 TRP B CH2 1 ATOM 1966 N N . SER B 2 122 ? 27.632 0.282 0.149 1.00 22.05 ? 119 SER B N 1 ATOM 1967 C CA . SER B 2 122 ? 27.955 -0.684 -0.901 1.00 20.31 ? 119 SER B CA 1 ATOM 1968 C C . SER B 2 122 ? 26.776 -0.960 -1.798 1.00 18.05 ? 119 SER B C 1 ATOM 1969 O O . SER B 2 122 ? 25.628 -0.959 -1.347 1.00 17.96 ? 119 SER B O 1 ATOM 1970 C CB . SER B 2 122 ? 28.365 -2.018 -0.287 1.00 21.44 ? 119 SER B CB 1 ATOM 1971 O OG . SER B 2 122 ? 29.510 -1.889 0.530 1.00 25.76 ? 119 SER B OG 1 ATOM 1972 N N . ASN B 2 123 ? 27.062 -1.209 -3.069 1.00 15.18 ? 120 ASN B N 1 ATOM 1973 C CA . ASN B 2 123 ? 26.035 -1.570 -4.026 1.00 12.65 ? 120 ASN B CA 1 ATOM 1974 C C . ASN B 2 123 ? 25.901 -3.094 -3.918 1.00 12.05 ? 120 ASN B C 1 ATOM 1975 O O . ASN B 2 123 ? 26.869 -3.826 -4.158 1.00 12.07 ? 120 ASN B O 1 ATOM 1976 C CB . ASN B 2 123 ? 26.466 -1.104 -5.412 1.00 12.19 ? 120 ASN B CB 1 ATOM 1977 C CG . ASN B 2 123 ? 25.602 -1.657 -6.532 1.00 14.79 ? 120 ASN B CG 1 ATOM 1978 O OD1 . ASN B 2 123 ? 25.575 -1.090 -7.624 1.00 16.30 ? 120 ASN B OD1 1 ATOM 1979 N ND2 . ASN B 2 123 ? 24.908 -2.772 -6.287 1.00 14.88 ? 120 ASN B ND2 1 ATOM 1980 N N . PRO B 2 124 ? 24.699 -3.584 -3.559 1.00 11.15 ? 121 PRO B N 1 ATOM 1981 C CA . PRO B 2 124 ? 24.392 -4.997 -3.330 1.00 10.10 ? 121 PRO B CA 1 ATOM 1982 C C . PRO B 2 124 ? 24.678 -5.963 -4.480 1.00 10.29 ? 121 PRO B C 1 ATOM 1983 O O . PRO B 2 124 ? 25.023 -7.111 -4.225 1.00 10.53 ? 121 PRO B O 1 ATOM 1984 C CB . PRO B 2 124 ? 22.902 -4.975 -2.968 1.00 10.38 ? 121 PRO B CB 1 ATOM 1985 C CG . PRO B 2 124 ? 22.380 -3.776 -3.679 1.00 10.90 ? 121 PRO B CG 1 ATOM 1986 C CD . PRO B 2 124 ? 23.477 -2.764 -3.482 1.00 12.02 ? 121 PRO B CD 1 ATOM 1987 N N . TYR B 2 125 ? 24.560 -5.507 -5.727 1.00 11.50 ? 122 TYR B N 1 ATOM 1988 C CA . TYR B 2 125 ? 24.800 -6.355 -6.912 1.00 12.10 ? 122 TYR B CA 1 ATOM 1989 C C . TYR B 2 125 ? 26.250 -6.518 -7.352 1.00 12.28 ? 122 TYR B C 1 ATOM 1990 O O . TYR B 2 125 ? 27.059 -5.615 -7.184 1.00 13.40 ? 122 TYR B O 1 ATOM 1991 C CB . TYR B 2 125 ? 24.002 -5.816 -8.107 1.00 12.04 ? 122 TYR B CB 1 ATOM 1992 C CG . TYR B 2 125 ? 22.517 -5.830 -7.855 1.00 12.47 ? 122 TYR B CG 1 ATOM 1993 C CD1 . TYR B 2 125 ? 21.864 -4.714 -7.341 1.00 12.66 ? 122 TYR B CD1 1 ATOM 1994 C CD2 . TYR B 2 125 ? 21.772 -6.984 -8.072 1.00 11.43 ? 122 TYR B CD2 1 ATOM 1995 C CE1 . TYR B 2 125 ? 20.498 -4.749 -7.050 1.00 12.94 ? 122 TYR B CE1 1 ATOM 1996 C CE2 . TYR B 2 125 ? 20.414 -7.031 -7.777 1.00 12.99 ? 122 TYR B CE2 1 ATOM 1997 C CZ . TYR B 2 125 ? 19.784 -5.913 -7.261 1.00 11.93 ? 122 TYR B CZ 1 ATOM 1998 O OH . TYR B 2 125 ? 18.444 -5.971 -6.968 1.00 10.27 ? 122 TYR B OH 1 ATOM 1999 N N . PRO B 2 126 ? 26.590 -7.679 -7.934 1.00 13.30 ? 123 PRO B N 1 ATOM 2000 C CA . PRO B 2 126 ? 27.938 -7.870 -8.496 1.00 14.11 ? 123 PRO B CA 1 ATOM 2001 C C . PRO B 2 126 ? 28.088 -6.943 -9.694 1.00 14.65 ? 123 PRO B C 1 ATOM 2002 O O . PRO B 2 126 ? 27.095 -6.585 -10.316 1.00 15.54 ? 123 PRO B O 1 ATOM 2003 C CB . PRO B 2 126 ? 27.927 -9.329 -8.945 1.00 13.64 ? 123 PRO B CB 1 ATOM 2004 C CG . PRO B 2 126 ? 26.891 -9.973 -8.078 1.00 13.71 ? 123 PRO B CG 1 ATOM 2005 C CD . PRO B 2 126 ? 25.819 -8.931 -7.970 1.00 13.12 ? 123 PRO B CD 1 ATOM 2006 N N . PRO B 2 127 ? 29.321 -6.542 -10.027 1.00 15.39 ? 124 PRO B N 1 ATOM 2007 C CA . PRO B 2 127 ? 29.557 -5.648 -11.166 1.00 15.93 ? 124 PRO B CA 1 ATOM 2008 C C . PRO B 2 127 ? 29.099 -6.216 -12.498 1.00 17.08 ? 124 PRO B C 1 ATOM 2009 O O . PRO B 2 127 ? 28.773 -5.460 -13.407 1.00 17.58 ? 124 PRO B O 1 ATOM 2010 C CB . PRO B 2 127 ? 31.070 -5.464 -11.146 1.00 14.39 ? 124 PRO B CB 1 ATOM 2011 C CG . PRO B 2 127 ? 31.425 -5.668 -9.732 1.00 14.67 ? 124 PRO B CG 1 ATOM 2012 C CD . PRO B 2 127 ? 30.583 -6.833 -9.333 1.00 15.39 ? 124 PRO B CD 1 ATOM 2013 N N . ASP B 2 128 ? 29.067 -7.540 -12.601 1.00 18.66 ? 125 ASP B N 1 ATOM 2014 C CA . ASP B 2 128 ? 28.654 -8.222 -13.833 1.00 20.51 ? 125 ASP B CA 1 ATOM 2015 C C . ASP B 2 128 ? 27.134 -8.275 -14.015 1.00 18.23 ? 125 ASP B C 1 ATOM 2016 O O . ASP B 2 128 ? 26.650 -8.661 -15.075 1.00 18.38 ? 125 ASP B O 1 ATOM 2017 C CB . ASP B 2 128 ? 29.233 -9.649 -13.873 1.00 24.94 ? 125 ASP B CB 1 ATOM 2018 C CG . ASP B 2 128 ? 28.765 -10.506 -12.689 1.00 31.26 ? 125 ASP B CG 1 ATOM 2019 O OD1 . ASP B 2 128 ? 27.882 -10.041 -11.932 1.00 37.79 ? 125 ASP B OD1 1 ATOM 2020 O OD2 . ASP B 2 128 ? 29.268 -11.638 -12.510 1.00 33.90 ? 125 ASP B OD2 1 ATOM 2021 N N . ASN B 2 129 ? 26.393 -7.898 -12.979 1.00 16.38 ? 126 ASN B N 1 ATOM 2022 C CA . ASN B 2 129 ? 24.932 -7.913 -13.018 1.00 15.15 ? 126 ASN B CA 1 ATOM 2023 C C . ASN B 2 129 ? 24.340 -6.722 -13.760 1.00 15.66 ? 126 ASN B C 1 ATOM 2024 O O . ASN B 2 129 ? 24.778 -5.577 -13.587 1.00 16.78 ? 126 ASN B O 1 ATOM 2025 C CB . ASN B 2 129 ? 24.380 -7.938 -11.598 1.00 14.52 ? 126 ASN B CB 1 ATOM 2026 C CG . ASN B 2 129 ? 22.862 -7.936 -11.555 1.00 12.80 ? 126 ASN B CG 1 ATOM 2027 O OD1 . ASN B 2 129 ? 22.211 -6.993 -11.999 1.00 12.54 ? 126 ASN B OD1 1 ATOM 2028 N ND2 . ASN B 2 129 ? 22.296 -8.990 -11.006 1.00 12.88 ? 126 ASN B ND2 1 ATOM 2029 N N . TYR B 2 130 ? 23.317 -6.987 -14.561 1.00 15.07 ? 127 TYR B N 1 ATOM 2030 C CA . TYR B 2 130 ? 22.691 -5.949 -15.371 1.00 15.28 ? 127 TYR B CA 1 ATOM 2031 C C . TYR B 2 130 ? 22.110 -4.741 -14.633 1.00 16.40 ? 127 TYR B C 1 ATOM 2032 O O . TYR B 2 130 ? 21.743 -3.756 -15.276 1.00 16.67 ? 127 TYR B O 1 ATOM 2033 C CB . TYR B 2 130 ? 21.593 -6.540 -16.236 1.00 13.97 ? 127 TYR B CB 1 ATOM 2034 C CG . TYR B 2 130 ? 22.055 -7.511 -17.283 1.00 11.89 ? 127 TYR B CG 1 ATOM 2035 C CD1 . TYR B 2 130 ? 23.313 -7.407 -17.879 1.00 10.32 ? 127 TYR B CD1 1 ATOM 2036 C CD2 . TYR B 2 130 ? 21.199 -8.499 -17.732 1.00 9.66 ? 127 TYR B CD2 1 ATOM 2037 C CE1 . TYR B 2 130 ? 23.689 -8.270 -18.896 1.00 7.44 ? 127 TYR B CE1 1 ATOM 2038 C CE2 . TYR B 2 130 ? 21.566 -9.357 -18.739 1.00 7.06 ? 127 TYR B CE2 1 ATOM 2039 C CZ . TYR B 2 130 ? 22.801 -9.237 -19.319 1.00 6.67 ? 127 TYR B CZ 1 ATOM 2040 O OH . TYR B 2 130 ? 23.111 -10.106 -20.335 1.00 8.98 ? 127 TYR B OH 1 ATOM 2041 N N . LEU B 2 131 ? 21.998 -4.809 -13.309 1.00 17.25 ? 128 LEU B N 1 ATOM 2042 C CA . LEU B 2 131 ? 21.469 -3.678 -12.536 1.00 18.65 ? 128 LEU B CA 1 ATOM 2043 C C . LEU B 2 131 ? 22.546 -2.806 -11.934 1.00 19.38 ? 128 LEU B C 1 ATOM 2044 O O . LEU B 2 131 ? 22.294 -1.650 -11.602 1.00 20.50 ? 128 LEU B O 1 ATOM 2045 C CB . LEU B 2 131 ? 20.594 -4.151 -11.379 1.00 19.08 ? 128 LEU B CB 1 ATOM 2046 C CG . LEU B 2 131 ? 19.113 -4.438 -11.617 1.00 20.65 ? 128 LEU B CG 1 ATOM 2047 C CD1 . LEU B 2 131 ? 18.436 -4.647 -10.273 1.00 20.10 ? 128 LEU B CD1 1 ATOM 2048 C CD2 . LEU B 2 131 ? 18.453 -3.292 -12.376 1.00 19.98 ? 128 LEU B CD2 1 ATOM 2049 N N . TYR B 2 132 ? 23.733 -3.367 -11.763 1.00 19.65 ? 129 TYR B N 1 ATOM 2050 C CA . TYR B 2 132 ? 24.827 -2.669 -11.111 1.00 21.15 ? 129 TYR B CA 1 ATOM 2051 C C . TYR B 2 132 ? 24.982 -1.186 -11.440 1.00 21.75 ? 129 TYR B C 1 ATOM 2052 O O . TYR B 2 132 ? 24.984 -0.352 -10.539 1.00 22.61 ? 129 TYR B O 1 ATOM 2053 C CB . TYR B 2 132 ? 26.120 -3.394 -11.426 1.00 22.84 ? 129 TYR B CB 1 ATOM 2054 C CG . TYR B 2 132 ? 27.307 -2.878 -10.680 1.00 25.27 ? 129 TYR B CG 1 ATOM 2055 C CD1 . TYR B 2 132 ? 28.059 -1.822 -11.179 1.00 26.69 ? 129 TYR B CD1 1 ATOM 2056 C CD2 . TYR B 2 132 ? 27.691 -3.459 -9.477 1.00 27.23 ? 129 TYR B CD2 1 ATOM 2057 C CE1 . TYR B 2 132 ? 29.175 -1.358 -10.500 1.00 29.79 ? 129 TYR B CE1 1 ATOM 2058 C CE2 . TYR B 2 132 ? 28.798 -3.006 -8.787 1.00 29.99 ? 129 TYR B CE2 1 ATOM 2059 C CZ . TYR B 2 132 ? 29.542 -1.960 -9.306 1.00 31.10 ? 129 TYR B CZ 1 ATOM 2060 O OH . TYR B 2 132 ? 30.663 -1.538 -8.636 1.00 34.43 ? 129 TYR B OH 1 ATOM 2061 N N . ASN B 2 133 ? 25.110 -0.861 -12.724 1.00 22.35 ? 130 ASN B N 1 ATOM 2062 C CA . ASN B 2 133 ? 25.337 0.518 -13.170 1.00 22.28 ? 130 ASN B CA 1 ATOM 2063 C C . ASN B 2 133 ? 24.081 1.367 -13.325 1.00 21.27 ? 130 ASN B C 1 ATOM 2064 O O . ASN B 2 133 ? 24.150 2.486 -13.836 1.00 21.73 ? 130 ASN B O 1 ATOM 2065 C CB . ASN B 2 133 ? 26.077 0.518 -14.511 1.00 24.49 ? 130 ASN B CB 1 ATOM 2066 C CG . ASN B 2 133 ? 27.532 0.109 -14.380 1.00 28.11 ? 130 ASN B CG 1 ATOM 2067 O OD1 . ASN B 2 133 ? 28.317 0.761 -13.687 1.00 29.85 ? 130 ASN B OD1 1 ATOM 2068 N ND2 . ASN B 2 133 ? 27.903 -0.980 -15.058 1.00 30.86 ? 130 ASN B ND2 1 ATOM 2069 N N . HIS B 2 134 ? 22.937 0.852 -12.890 1.00 19.96 ? 131 HIS B N 1 ATOM 2070 C CA . HIS B 2 134 ? 21.684 1.576 -13.060 1.00 18.59 ? 131 HIS B CA 1 ATOM 2071 C C . HIS B 2 134 ? 21.044 2.068 -11.765 1.00 17.56 ? 131 HIS B C 1 ATOM 2072 O O . HIS B 2 134 ? 19.935 2.608 -11.799 1.00 18.14 ? 131 HIS B O 1 ATOM 2073 C CB . HIS B 2 134 ? 20.675 0.702 -13.794 1.00 19.11 ? 131 HIS B CB 1 ATOM 2074 C CG . HIS B 2 134 ? 20.876 0.640 -15.275 1.00 21.28 ? 131 HIS B CG 1 ATOM 2075 N ND1 . HIS B 2 134 ? 20.651 1.719 -16.103 1.00 22.48 ? 131 HIS B ND1 1 ATOM 2076 C CD2 . HIS B 2 134 ? 21.231 -0.387 -16.082 1.00 22.48 ? 131 HIS B CD2 1 ATOM 2077 C CE1 . HIS B 2 134 ? 20.871 1.364 -17.356 1.00 23.36 ? 131 HIS B CE1 1 ATOM 2078 N NE2 . HIS B 2 134 ? 21.222 0.090 -17.371 1.00 25.18 ? 131 HIS B NE2 1 ATOM 2079 N N . LEU B 2 135 ? 21.717 1.874 -10.634 1.00 15.30 ? 132 LEU B N 1 ATOM 2080 C CA . LEU B 2 135 ? 21.151 2.288 -9.362 1.00 14.66 ? 132 LEU B CA 1 ATOM 2081 C C . LEU B 2 135 ? 21.537 3.700 -8.955 1.00 15.18 ? 132 LEU B C 1 ATOM 2082 O O . LEU B 2 135 ? 22.677 4.134 -9.152 1.00 14.88 ? 132 LEU B O 1 ATOM 2083 C CB . LEU B 2 135 ? 21.598 1.349 -8.258 1.00 14.49 ? 132 LEU B CB 1 ATOM 2084 C CG . LEU B 2 135 ? 20.833 0.067 -7.951 1.00 14.14 ? 132 LEU B CG 1 ATOM 2085 C CD1 . LEU B 2 135 ? 20.406 -0.660 -9.201 1.00 13.71 ? 132 LEU B CD1 1 ATOM 2086 C CD2 . LEU B 2 135 ? 21.741 -0.797 -7.095 1.00 12.30 ? 132 LEU B CD2 1 ATOM 2087 N N . THR B 2 136 ? 20.565 4.411 -8.390 1.00 15.91 ? 133 THR B N 1 ATOM 2088 C CA . THR B 2 136 ? 20.773 5.721 -7.786 1.00 16.19 ? 133 THR B CA 1 ATOM 2089 C C . THR B 2 136 ? 20.167 5.544 -6.398 1.00 17.68 ? 133 THR B C 1 ATOM 2090 O O . THR B 2 136 ? 19.381 4.617 -6.190 1.00 18.60 ? 133 THR B O 1 ATOM 2091 C CB . THR B 2 136 ? 20.004 6.825 -8.506 1.00 14.80 ? 133 THR B CB 1 ATOM 2092 O OG1 . THR B 2 136 ? 18.602 6.567 -8.385 1.00 14.99 ? 133 THR B OG1 1 ATOM 2093 C CG2 . THR B 2 136 ? 20.395 6.896 -9.960 1.00 12.70 ? 133 THR B CG2 1 ATOM 2094 N N . TYR B 2 137 ? 20.489 6.426 -5.454 1.00 17.97 ? 134 TYR B N 1 ATOM 2095 C CA . TYR B 2 137 ? 20.045 6.186 -4.090 1.00 17.89 ? 134 TYR B CA 1 ATOM 2096 C C . TYR B 2 137 ? 19.296 7.297 -3.388 1.00 18.25 ? 134 TYR B C 1 ATOM 2097 O O . TYR B 2 137 ? 19.014 8.348 -3.968 1.00 17.88 ? 134 TYR B O 1 ATOM 2098 C CB . TYR B 2 137 ? 21.250 5.774 -3.251 1.00 17.61 ? 134 TYR B CB 1 ATOM 2099 C CG . TYR B 2 137 ? 22.073 4.669 -3.898 1.00 17.15 ? 134 TYR B CG 1 ATOM 2100 C CD1 . TYR B 2 137 ? 22.992 4.954 -4.905 1.00 15.10 ? 134 TYR B CD1 1 ATOM 2101 C CD2 . TYR B 2 137 ? 21.924 3.344 -3.500 1.00 16.62 ? 134 TYR B CD2 1 ATOM 2102 C CE1 . TYR B 2 137 ? 23.741 3.964 -5.480 1.00 16.51 ? 134 TYR B CE1 1 ATOM 2103 C CE2 . TYR B 2 137 ? 22.669 2.341 -4.068 1.00 16.54 ? 134 TYR B CE2 1 ATOM 2104 C CZ . TYR B 2 137 ? 23.577 2.652 -5.060 1.00 18.28 ? 134 TYR B CZ 1 ATOM 2105 O OH . TYR B 2 137 ? 24.317 1.636 -5.642 1.00 21.40 ? 134 TYR B OH 1 ATOM 2106 N N . ALA B 2 138 ? 18.970 7.029 -2.125 1.00 19.08 ? 135 ALA B N 1 ATOM 2107 C CA . ALA B 2 138 ? 18.300 7.982 -1.241 1.00 19.72 ? 135 ALA B CA 1 ATOM 2108 C C . ALA B 2 138 ? 18.760 7.678 0.173 1.00 20.46 ? 135 ALA B C 1 ATOM 2109 O O . ALA B 2 138 ? 18.553 6.576 0.677 1.00 20.46 ? 135 ALA B O 1 ATOM 2110 C CB . ALA B 2 138 ? 16.798 7.840 -1.338 1.00 18.40 ? 135 ALA B CB 1 ATOM 2111 N N . VAL B 2 139 ? 19.407 8.647 0.806 1.00 21.12 ? 136 VAL B N 1 ATOM 2112 C CA . VAL B 2 139 ? 19.894 8.459 2.159 1.00 21.65 ? 136 VAL B CA 1 ATOM 2113 C C . VAL B 2 139 ? 18.920 9.132 3.108 1.00 22.76 ? 136 VAL B C 1 ATOM 2114 O O . VAL B 2 139 ? 18.333 10.146 2.772 1.00 22.36 ? 136 VAL B O 1 ATOM 2115 C CB . VAL B 2 139 ? 21.300 9.050 2.315 1.00 21.14 ? 136 VAL B CB 1 ATOM 2116 C CG1 . VAL B 2 139 ? 21.755 8.990 3.759 1.00 20.10 ? 136 VAL B CG1 1 ATOM 2117 C CG2 . VAL B 2 139 ? 22.270 8.287 1.432 1.00 20.65 ? 136 VAL B CG2 1 ATOM 2118 N N . ASN B 2 140 ? 18.741 8.547 4.284 1.00 25.17 ? 137 ASN B N 1 ATOM 2119 C CA . ASN B 2 140 ? 17.824 9.073 5.271 1.00 27.77 ? 137 ASN B CA 1 ATOM 2120 C C . ASN B 2 140 ? 18.591 9.346 6.549 1.00 29.79 ? 137 ASN B C 1 ATOM 2121 O O . ASN B 2 140 ? 19.201 8.443 7.108 1.00 30.28 ? 137 ASN B O 1 ATOM 2122 C CB . ASN B 2 140 ? 16.714 8.054 5.528 1.00 28.67 ? 137 ASN B CB 1 ATOM 2123 C CG . ASN B 2 140 ? 15.673 8.556 6.505 1.00 30.02 ? 137 ASN B CG 1 ATOM 2124 O OD1 . ASN B 2 140 ? 15.551 9.762 6.723 1.00 34.32 ? 137 ASN B OD1 1 ATOM 2125 N ND2 . ASN B 2 140 ? 14.907 7.637 7.092 1.00 28.03 ? 137 ASN B ND2 1 ATOM 2126 N N . ILE B 2 141 ? 18.563 10.594 7.007 1.00 32.72 ? 138 ILE B N 1 ATOM 2127 C CA . ILE B 2 141 ? 19.310 11.001 8.199 1.00 34.73 ? 138 ILE B CA 1 ATOM 2128 C C . ILE B 2 141 ? 18.408 11.685 9.202 1.00 35.64 ? 138 ILE B C 1 ATOM 2129 O O . ILE B 2 141 ? 17.755 12.673 8.874 1.00 36.10 ? 138 ILE B O 1 ATOM 2130 C CB . ILE B 2 141 ? 20.412 12.003 7.843 1.00 35.37 ? 138 ILE B CB 1 ATOM 2131 C CG1 . ILE B 2 141 ? 21.524 11.305 7.053 1.00 36.61 ? 138 ILE B CG1 1 ATOM 2132 C CG2 . ILE B 2 141 ? 20.955 12.665 9.108 1.00 35.88 ? 138 ILE B CG2 1 ATOM 2133 C CD1 . ILE B 2 141 ? 22.771 12.169 6.839 1.00 37.69 ? 138 ILE B CD1 1 ATOM 2134 N N . TRP B 2 142 ? 18.389 11.175 10.428 1.00 36.87 ? 139 TRP B N 1 ATOM 2135 C CA . TRP B 2 142 ? 17.557 11.757 11.463 1.00 38.39 ? 139 TRP B CA 1 ATOM 2136 C C . TRP B 2 142 ? 18.236 11.766 12.814 1.00 40.46 ? 139 TRP B C 1 ATOM 2137 O O . TRP B 2 142 ? 19.166 11.004 13.057 1.00 41.35 ? 139 TRP B O 1 ATOM 2138 C CB . TRP B 2 142 ? 16.227 11.018 11.544 1.00 38.34 ? 139 TRP B CB 1 ATOM 2139 C CG . TRP B 2 142 ? 16.276 9.678 12.191 1.00 37.39 ? 139 TRP B CG 1 ATOM 2140 C CD1 . TRP B 2 142 ? 16.044 9.400 13.501 1.00 37.70 ? 139 TRP B CD1 1 ATOM 2141 C CD2 . TRP B 2 142 ? 16.530 8.426 11.554 1.00 37.85 ? 139 TRP B CD2 1 ATOM 2142 N NE1 . TRP B 2 142 ? 16.138 8.049 13.725 1.00 36.95 ? 139 TRP B NE1 1 ATOM 2143 C CE2 . TRP B 2 142 ? 16.437 7.427 12.545 1.00 36.98 ? 139 TRP B CE2 1 ATOM 2144 C CE3 . TRP B 2 142 ? 16.836 8.048 10.240 1.00 38.85 ? 139 TRP B CE3 1 ATOM 2145 C CZ2 . TRP B 2 142 ? 16.633 6.076 12.268 1.00 37.03 ? 139 TRP B CZ2 1 ATOM 2146 C CZ3 . TRP B 2 142 ? 17.029 6.696 9.963 1.00 38.38 ? 139 TRP B CZ3 1 ATOM 2147 C CH2 . TRP B 2 142 ? 16.925 5.730 10.974 1.00 37.16 ? 139 TRP B CH2 1 ATOM 2148 N N . SER B 2 143 ? 17.762 12.650 13.685 1.00 42.67 ? 140 SER B N 1 ATOM 2149 C CA . SER B 2 143 ? 18.286 12.796 15.041 1.00 44.06 ? 140 SER B CA 1 ATOM 2150 C C . SER B 2 143 ? 17.560 11.798 15.929 1.00 44.39 ? 140 SER B C 1 ATOM 2151 O O . SER B 2 143 ? 16.368 11.562 15.740 1.00 43.78 ? 140 SER B O 1 ATOM 2152 C CB . SER B 2 143 ? 18.029 14.223 15.530 1.00 44.73 ? 140 SER B CB 1 ATOM 2153 O OG . SER B 2 143 ? 18.632 14.461 16.789 1.00 47.67 ? 140 SER B OG 1 ATOM 2154 N N . GLU B 2 144 ? 18.263 11.214 16.895 1.00 45.90 ? 141 GLU B N 1 ATOM 2155 C CA . GLU B 2 144 ? 17.638 10.195 17.736 1.00 48.24 ? 141 GLU B CA 1 ATOM 2156 C C . GLU B 2 144 ? 16.611 10.784 18.686 1.00 49.29 ? 141 GLU B C 1 ATOM 2157 O O . GLU B 2 144 ? 15.491 10.282 18.794 1.00 49.02 ? 141 GLU B O 1 ATOM 2158 C CB . GLU B 2 144 ? 18.684 9.382 18.510 1.00 48.27 ? 141 GLU B CB 1 ATOM 2159 C CG . GLU B 2 144 ? 19.384 8.316 17.659 1.00 49.09 ? 141 GLU B CG 1 ATOM 2160 C CD . GLU B 2 144 ? 20.199 7.325 18.475 1.00 49.72 ? 141 GLU B CD 1 ATOM 2161 O OE1 . GLU B 2 144 ? 20.937 7.763 19.387 1.00 50.80 ? 141 GLU B OE1 1 ATOM 2162 O OE2 . GLU B 2 144 ? 20.112 6.107 18.192 1.00 48.64 ? 141 GLU B OE2 1 ATOM 2163 N N . ASN B 2 145 ? 16.986 11.856 19.370 1.00 50.85 ? 142 ASN B N 1 ATOM 2164 C CA . ASN B 2 145 ? 16.074 12.475 20.319 1.00 52.57 ? 142 ASN B CA 1 ATOM 2165 C C . ASN B 2 145 ? 15.045 13.343 19.609 1.00 52.30 ? 142 ASN B C 1 ATOM 2166 O O . ASN B 2 145 ? 13.919 13.499 20.088 1.00 52.72 ? 142 ASN B O 1 ATOM 2167 C CB . ASN B 2 145 ? 16.844 13.288 21.371 1.00 53.69 ? 142 ASN B CB 1 ATOM 2168 C CG . ASN B 2 145 ? 17.759 14.338 20.756 1.00 55.58 ? 142 ASN B CG 1 ATOM 2169 O OD1 . ASN B 2 145 ? 17.706 14.611 19.553 1.00 57.31 ? 142 ASN B OD1 1 ATOM 2170 N ND2 . ASN B 2 145 ? 18.606 14.936 21.587 1.00 56.50 ? 142 ASN B ND2 1 ATOM 2171 N N . ASP B 2 146 ? 15.430 13.887 18.459 1.00 51.83 ? 143 ASP B N 1 ATOM 2172 C CA . ASP B 2 146 ? 14.537 14.734 17.682 1.00 51.65 ? 143 ASP B CA 1 ATOM 2173 C C . ASP B 2 146 ? 14.218 14.129 16.321 1.00 51.09 ? 143 ASP B C 1 ATOM 2174 O O . ASP B 2 146 ? 14.580 14.692 15.285 1.00 50.19 ? 143 ASP B O 1 ATOM 2175 C CB . ASP B 2 146 ? 15.147 16.121 17.500 1.00 52.05 ? 143 ASP B CB 1 ATOM 2176 C CG . ASP B 2 146 ? 14.159 17.114 16.935 1.00 52.66 ? 143 ASP B CG 1 ATOM 2177 O OD1 . ASP B 2 146 ? 12.937 16.801 16.923 1.00 52.64 ? 143 ASP B OD1 1 ATOM 2178 O OD2 . ASP B 2 146 ? 14.609 18.206 16.505 1.00 53.42 ? 143 ASP B OD2 1 ATOM 2179 N N . PRO B 2 147 ? 13.518 12.982 16.314 1.00 50.87 ? 144 PRO B N 1 ATOM 2180 C CA . PRO B 2 147 ? 13.208 12.271 15.079 1.00 51.03 ? 144 PRO B CA 1 ATOM 2181 C C . PRO B 2 147 ? 12.423 13.176 14.153 1.00 50.93 ? 144 PRO B C 1 ATOM 2182 O O . PRO B 2 147 ? 12.490 13.036 12.929 1.00 50.86 ? 144 PRO B O 1 ATOM 2183 C CB . PRO B 2 147 ? 12.339 11.108 15.562 1.00 51.14 ? 144 PRO B CB 1 ATOM 2184 C CG . PRO B 2 147 ? 12.786 10.890 16.959 1.00 50.97 ? 144 PRO B CG 1 ATOM 2185 C CD . PRO B 2 147 ? 12.948 12.280 17.479 1.00 51.01 ? 144 PRO B CD 1 ATOM 2186 N N . ALA B 2 148 ? 11.689 14.104 14.760 1.00 50.47 ? 145 ALA B N 1 ATOM 2187 C CA . ALA B 2 148 ? 10.895 15.076 14.026 1.00 49.65 ? 145 ALA B CA 1 ATOM 2188 C C . ALA B 2 148 ? 11.692 15.675 12.877 1.00 48.74 ? 145 ALA B C 1 ATOM 2189 O O . ALA B 2 148 ? 11.225 15.697 11.739 1.00 48.62 ? 145 ALA B O 1 ATOM 2190 C CB . ALA B 2 148 ? 10.420 16.173 14.967 1.00 50.43 ? 145 ALA B CB 1 ATOM 2191 N N . ASP B 2 149 ? 12.902 16.141 13.177 1.00 47.52 ? 146 ASP B N 1 ATOM 2192 C CA . ASP B 2 149 ? 13.751 16.750 12.169 1.00 47.07 ? 146 ASP B CA 1 ATOM 2193 C C . ASP B 2 149 ? 14.587 15.714 11.435 1.00 46.16 ? 146 ASP B C 1 ATOM 2194 O O . ASP B 2 149 ? 15.699 15.390 11.852 1.00 46.75 ? 146 ASP B O 1 ATOM 2195 C CB . ASP B 2 149 ? 14.664 17.795 12.801 1.00 47.91 ? 146 ASP B CB 1 ATOM 2196 C CG . ASP B 2 149 ? 15.449 18.570 11.768 1.00 49.75 ? 146 ASP B CG 1 ATOM 2197 O OD1 . ASP B 2 149 ? 15.338 18.231 10.568 1.00 51.45 ? 146 ASP B OD1 1 ATOM 2198 O OD2 . ASP B 2 149 ? 16.175 19.513 12.152 1.00 50.71 ? 146 ASP B OD2 1 ATOM 2199 N N . PHE B 2 150 ? 14.048 15.203 10.336 1.00 44.55 ? 147 PHE B N 1 ATOM 2200 C CA . PHE B 2 150 ? 14.750 14.215 9.538 1.00 43.25 ? 147 PHE B CA 1 ATOM 2201 C C . PHE B 2 150 ? 14.819 14.681 8.096 1.00 42.16 ? 147 PHE B C 1 ATOM 2202 O O . PHE B 2 150 ? 13.915 15.353 7.603 1.00 42.43 ? 147 PHE B O 1 ATOM 2203 C CB . PHE B 2 150 ? 14.035 12.864 9.609 1.00 43.81 ? 147 PHE B CB 1 ATOM 2204 C CG . PHE B 2 150 ? 12.879 12.738 8.655 1.00 44.42 ? 147 PHE B CG 1 ATOM 2205 C CD1 . PHE B 2 150 ? 13.087 12.306 7.344 1.00 44.91 ? 147 PHE B CD1 1 ATOM 2206 C CD2 . PHE B 2 150 ? 11.590 13.064 9.057 1.00 44.03 ? 147 PHE B CD2 1 ATOM 2207 C CE1 . PHE B 2 150 ? 12.034 12.206 6.445 1.00 43.60 ? 147 PHE B CE1 1 ATOM 2208 C CE2 . PHE B 2 150 ? 10.529 12.964 8.167 1.00 44.82 ? 147 PHE B CE2 1 ATOM 2209 C CZ . PHE B 2 150 ? 10.756 12.531 6.857 1.00 44.61 ? 147 PHE B CZ 1 ATOM 2210 N N . ARG B 2 151 ? 15.885 14.309 7.407 1.00 40.31 ? 148 ARG B N 1 ATOM 2211 C CA . ARG B 2 151 ? 16.032 14.712 6.027 1.00 38.92 ? 148 ARG B CA 1 ATOM 2212 C C . ARG B 2 151 ? 16.191 13.497 5.140 1.00 37.29 ? 148 ARG B C 1 ATOM 2213 O O . ARG B 2 151 ? 16.599 12.427 5.596 1.00 37.23 ? 148 ARG B O 1 ATOM 2214 C CB . ARG B 2 151 ? 17.250 15.621 5.857 1.00 40.60 ? 148 ARG B CB 1 ATOM 2215 C CG . ARG B 2 151 ? 17.383 16.720 6.888 1.00 43.40 ? 148 ARG B CG 1 ATOM 2216 C CD . ARG B 2 151 ? 18.212 17.858 6.337 1.00 47.17 ? 148 ARG B CD 1 ATOM 2217 N NE . ARG B 2 151 ? 18.692 18.749 7.391 1.00 51.28 ? 148 ARG B NE 1 ATOM 2218 C CZ . ARG B 2 151 ? 19.229 19.950 7.176 1.00 53.01 ? 148 ARG B CZ 1 ATOM 2219 N NH1 . ARG B 2 151 ? 19.351 20.418 5.939 1.00 53.11 ? 148 ARG B NH1 1 ATOM 2220 N NH2 . ARG B 2 151 ? 19.645 20.686 8.202 1.00 52.99 ? 148 ARG B NH2 1 ATOM 2221 N N . ILE B 2 152 ? 15.860 13.677 3.866 1.00 35.17 ? 149 ILE B N 1 ATOM 2222 C CA . ILE B 2 152 ? 16.036 12.648 2.860 1.00 32.72 ? 149 ILE B CA 1 ATOM 2223 C C . ILE B 2 152 ? 16.812 13.228 1.675 1.00 32.29 ? 149 ILE B C 1 ATOM 2224 O O . ILE B 2 152 ? 16.328 14.095 0.943 1.00 31.97 ? 149 ILE B O 1 ATOM 2225 C CB . ILE B 2 152 ? 14.692 12.092 2.391 1.00 31.70 ? 149 ILE B CB 1 ATOM 2226 C CG1 . ILE B 2 152 ? 14.022 11.346 3.536 1.00 31.83 ? 149 ILE B CG1 1 ATOM 2227 C CG2 . ILE B 2 152 ? 14.890 11.142 1.234 1.00 32.40 ? 149 ILE B CG2 1 ATOM 2228 C CD1 . ILE B 2 152 ? 12.720 10.677 3.147 1.00 33.30 ? 149 ILE B CD1 1 ATOM 2229 N N . TYR B 2 153 ? 18.032 12.738 1.509 1.00 31.40 ? 150 TYR B N 1 ATOM 2230 C CA . TYR B 2 153 ? 18.896 13.139 0.420 1.00 30.73 ? 150 TYR B CA 1 ATOM 2231 C C . TYR B 2 153 ? 18.741 12.186 -0.772 1.00 30.58 ? 150 TYR B C 1 ATOM 2232 O O . TYR B 2 153 ? 18.673 10.968 -0.602 1.00 30.98 ? 150 TYR B O 1 ATOM 2233 C CB . TYR B 2 153 ? 20.333 13.169 0.934 1.00 30.95 ? 150 TYR B CB 1 ATOM 2234 C CG . TYR B 2 153 ? 20.550 14.226 2.007 1.00 32.07 ? 150 TYR B CG 1 ATOM 2235 C CD1 . TYR B 2 153 ? 21.027 15.493 1.671 1.00 32.17 ? 150 TYR B CD1 1 ATOM 2236 C CD2 . TYR B 2 153 ? 20.248 13.971 3.355 1.00 32.18 ? 150 TYR B CD2 1 ATOM 2237 C CE1 . TYR B 2 153 ? 21.213 16.476 2.640 1.00 33.74 ? 150 TYR B CE1 1 ATOM 2238 C CE2 . TYR B 2 153 ? 20.433 14.956 4.343 1.00 31.92 ? 150 TYR B CE2 1 ATOM 2239 C CZ . TYR B 2 153 ? 20.921 16.204 3.977 1.00 33.35 ? 150 TYR B CZ 1 ATOM 2240 O OH . TYR B 2 153 ? 21.126 17.192 4.920 1.00 32.40 ? 150 TYR B OH 1 ATOM 2241 N N . GLN B 2 154 ? 18.659 12.749 -1.976 1.00 29.59 ? 151 GLN B N 1 ATOM 2242 C CA . GLN B 2 154 ? 18.524 11.956 -3.197 1.00 28.45 ? 151 GLN B CA 1 ATOM 2243 C C . GLN B 2 154 ? 19.836 11.891 -3.953 1.00 27.05 ? 151 GLN B C 1 ATOM 2244 O O . GLN B 2 154 ? 20.287 12.894 -4.493 1.00 27.26 ? 151 GLN B O 1 ATOM 2245 C CB . GLN B 2 154 ? 17.435 12.544 -4.102 1.00 28.73 ? 151 GLN B CB 1 ATOM 2246 C CG . GLN B 2 154 ? 16.030 12.423 -3.540 1.00 33.23 ? 151 GLN B CG 1 ATOM 2247 C CD . GLN B 2 154 ? 15.451 11.004 -3.634 1.00 38.67 ? 151 GLN B CD 1 ATOM 2248 O OE1 . GLN B 2 154 ? 16.166 10.001 -3.519 1.00 42.93 ? 151 GLN B OE1 1 ATOM 2249 N NE2 . GLN B 2 154 ? 14.141 10.924 -3.823 1.00 40.26 ? 151 GLN B NE2 1 ATOM 2250 N N . VAL B 2 155 ? 20.453 10.713 -3.995 1.00 26.72 ? 152 VAL B N 1 ATOM 2251 C CA . VAL B 2 155 ? 21.716 10.535 -4.722 1.00 25.83 ? 152 VAL B CA 1 ATOM 2252 C C . VAL B 2 155 ? 21.451 10.102 -6.160 1.00 26.40 ? 152 VAL B C 1 ATOM 2253 O O . VAL B 2 155 ? 21.180 8.937 -6.416 1.00 26.27 ? 152 VAL B O 1 ATOM 2254 C CB . VAL B 2 155 ? 22.592 9.480 -4.069 1.00 24.53 ? 152 VAL B CB 1 ATOM 2255 C CG1 . VAL B 2 155 ? 23.864 9.321 -4.854 1.00 24.06 ? 152 VAL B CG1 1 ATOM 2256 C CG2 . VAL B 2 155 ? 22.901 9.870 -2.650 1.00 25.01 ? 152 VAL B CG2 1 ATOM 2257 N N . THR B 2 156 ? 21.551 11.033 -7.100 1.00 27.46 ? 153 THR B N 1 ATOM 2258 C CA . THR B 2 156 ? 21.191 10.732 -8.479 1.00 28.55 ? 153 THR B CA 1 ATOM 2259 C C . THR B 2 156 ? 22.377 10.435 -9.397 1.00 29.12 ? 153 THR B C 1 ATOM 2260 O O . THR B 2 156 ? 22.265 10.527 -10.621 1.00 29.07 ? 153 THR B O 1 ATOM 2261 C CB . THR B 2 156 ? 20.349 11.858 -9.075 1.00 28.26 ? 153 THR B CB 1 ATOM 2262 O OG1 . THR B 2 156 ? 21.186 12.981 -9.353 1.00 29.36 ? 153 THR B OG1 1 ATOM 2263 C CG2 . THR B 2 156 ? 19.279 12.278 -8.090 1.00 28.09 ? 153 THR B CG2 1 ATOM 2264 N N . TYR B 2 157 ? 23.512 10.091 -8.806 1.00 29.27 ? 154 TYR B N 1 ATOM 2265 C CA . TYR B 2 157 ? 24.691 9.732 -9.584 1.00 30.29 ? 154 TYR B CA 1 ATOM 2266 C C . TYR B 2 157 ? 25.047 8.286 -9.233 1.00 31.00 ? 154 TYR B C 1 ATOM 2267 O O . TYR B 2 157 ? 24.459 7.704 -8.322 1.00 30.58 ? 154 TYR B O 1 ATOM 2268 C CB . TYR B 2 157 ? 25.862 10.704 -9.310 1.00 29.83 ? 154 TYR B CB 1 ATOM 2269 C CG . TYR B 2 157 ? 26.000 11.077 -7.857 1.00 29.02 ? 154 TYR B CG 1 ATOM 2270 C CD1 . TYR B 2 157 ? 25.265 12.129 -7.316 1.00 27.23 ? 154 TYR B CD1 1 ATOM 2271 C CD2 . TYR B 2 157 ? 26.813 10.329 -7.000 1.00 28.58 ? 154 TYR B CD2 1 ATOM 2272 C CE1 . TYR B 2 157 ? 25.339 12.433 -5.959 1.00 27.03 ? 154 TYR B CE1 1 ATOM 2273 C CE2 . TYR B 2 157 ? 26.893 10.623 -5.638 1.00 27.25 ? 154 TYR B CE2 1 ATOM 2274 C CZ . TYR B 2 157 ? 26.152 11.675 -5.126 1.00 25.77 ? 154 TYR B CZ 1 ATOM 2275 O OH . TYR B 2 157 ? 26.204 11.952 -3.783 1.00 24.01 ? 154 TYR B OH 1 ATOM 2276 N N . LEU B 2 158 ? 26.009 7.718 -9.953 1.00 32.58 ? 155 LEU B N 1 ATOM 2277 C CA . LEU B 2 158 ? 26.360 6.307 -9.814 1.00 33.84 ? 155 LEU B CA 1 ATOM 2278 C C . LEU B 2 158 ? 27.152 5.957 -8.565 1.00 34.33 ? 155 LEU B C 1 ATOM 2279 O O . LEU B 2 158 ? 26.911 4.920 -7.957 1.00 35.46 ? 155 LEU B O 1 ATOM 2280 C CB . LEU B 2 158 ? 27.101 5.836 -11.064 1.00 35.06 ? 155 LEU B CB 1 ATOM 2281 C CG . LEU B 2 158 ? 26.451 6.342 -12.365 1.00 37.03 ? 155 LEU B CG 1 ATOM 2282 C CD1 . LEU B 2 158 ? 27.330 6.054 -13.594 1.00 36.82 ? 155 LEU B CD1 1 ATOM 2283 C CD2 . LEU B 2 158 ? 25.008 5.807 -12.542 1.00 35.42 ? 155 LEU B CD2 1 ATOM 2284 N N . GLU B 2 159 ? 28.091 6.812 -8.180 1.00 35.12 ? 156 GLU B N 1 ATOM 2285 C CA . GLU B 2 159 ? 28.884 6.583 -6.973 1.00 35.92 ? 156 GLU B CA 1 ATOM 2286 C C . GLU B 2 159 ? 27.970 6.444 -5.746 1.00 36.01 ? 156 GLU B C 1 ATOM 2287 O O . GLU B 2 159 ? 27.011 7.206 -5.597 1.00 35.81 ? 156 GLU B O 1 ATOM 2288 C CB . GLU B 2 159 ? 29.871 7.738 -6.759 1.00 37.33 ? 156 GLU B CB 1 ATOM 2289 C CG . GLU B 2 159 ? 30.933 7.928 -7.854 1.00 39.05 ? 156 GLU B CG 1 ATOM 2290 C CD . GLU B 2 159 ? 30.347 8.301 -9.212 1.00 40.65 ? 156 GLU B CD 1 ATOM 2291 O OE1 . GLU B 2 159 ? 29.639 9.330 -9.307 1.00 40.23 ? 156 GLU B OE1 1 ATOM 2292 O OE2 . GLU B 2 159 ? 30.600 7.556 -10.183 1.00 41.45 ? 156 GLU B OE2 1 ATOM 2293 N N . PRO B 2 160 ? 28.243 5.450 -4.874 1.00 35.86 ? 157 PRO B N 1 ATOM 2294 C CA . PRO B 2 160 ? 27.478 5.229 -3.642 1.00 35.24 ? 157 PRO B CA 1 ATOM 2295 C C . PRO B 2 160 ? 27.995 6.082 -2.496 1.00 34.83 ? 157 PRO B C 1 ATOM 2296 O O . PRO B 2 160 ? 28.303 5.571 -1.418 1.00 34.50 ? 157 PRO B O 1 ATOM 2297 C CB . PRO B 2 160 ? 27.694 3.742 -3.369 1.00 35.32 ? 157 PRO B CB 1 ATOM 2298 C CG . PRO B 2 160 ? 29.066 3.498 -3.848 1.00 35.06 ? 157 PRO B CG 1 ATOM 2299 C CD . PRO B 2 160 ? 29.223 4.366 -5.091 1.00 35.63 ? 157 PRO B CD 1 ATOM 2300 N N . SER B 2 161 ? 28.079 7.384 -2.750 1.00 35.55 ? 158 SER B N 1 ATOM 2301 C CA . SER B 2 161 ? 28.583 8.361 -1.792 1.00 35.84 ? 158 SER B CA 1 ATOM 2302 C C . SER B 2 161 ? 27.638 9.544 -1.634 1.00 35.58 ? 158 SER B C 1 ATOM 2303 O O . SER B 2 161 ? 26.867 9.869 -2.539 1.00 34.90 ? 158 SER B O 1 ATOM 2304 C CB . SER B 2 161 ? 29.942 8.891 -2.253 1.00 36.43 ? 158 SER B CB 1 ATOM 2305 O OG . SER B 2 161 ? 30.886 7.846 -2.399 1.00 39.40 ? 158 SER B OG 1 ATOM 2306 N N . LEU B 2 162 ? 27.731 10.194 -0.477 1.00 36.36 ? 159 LEU B N 1 ATOM 2307 C CA . LEU B 2 162 ? 26.971 11.402 -0.173 1.00 36.40 ? 159 LEU B CA 1 ATOM 2308 C C . LEU B 2 162 ? 27.792 12.352 0.677 1.00 37.61 ? 159 LEU B C 1 ATOM 2309 O O . LEU B 2 162 ? 28.440 11.937 1.631 1.00 37.43 ? 159 LEU B O 1 ATOM 2310 C CB . LEU B 2 162 ? 25.694 11.042 0.578 1.00 35.02 ? 159 LEU B CB 1 ATOM 2311 C CG . LEU B 2 162 ? 24.868 12.180 1.168 1.00 32.87 ? 159 LEU B CG 1 ATOM 2312 C CD1 . LEU B 2 162 ? 24.330 13.114 0.085 1.00 30.28 ? 159 LEU B CD1 1 ATOM 2313 C CD2 . LEU B 2 162 ? 23.737 11.559 1.941 1.00 32.32 ? 159 LEU B CD2 1 ATOM 2314 N N . ARG B 2 163 ? 27.760 13.629 0.319 1.00 40.62 ? 160 ARG B N 1 ATOM 2315 C CA . ARG B 2 163 ? 28.434 14.667 1.094 1.00 43.48 ? 160 ARG B CA 1 ATOM 2316 C C . ARG B 2 163 ? 27.417 15.697 1.563 1.00 44.82 ? 160 ARG B C 1 ATOM 2317 O O . ARG B 2 163 ? 26.714 16.302 0.753 1.00 45.41 ? 160 ARG B O 1 ATOM 2318 C CB . ARG B 2 163 ? 29.517 15.353 0.255 1.00 43.97 ? 160 ARG B CB 1 ATOM 2319 C CG . ARG B 2 163 ? 30.705 14.463 -0.062 1.00 45.82 ? 160 ARG B CG 1 ATOM 2320 C CD . ARG B 2 163 ? 31.781 15.183 -0.862 1.00 47.26 ? 160 ARG B CD 1 ATOM 2321 N NE . ARG B 2 163 ? 32.861 14.263 -1.215 1.00 50.08 ? 160 ARG B NE 1 ATOM 2322 C CZ . ARG B 2 163 ? 34.042 14.629 -1.710 1.00 51.24 ? 160 ARG B CZ 1 ATOM 2323 N NH1 . ARG B 2 163 ? 34.327 15.915 -1.919 1.00 51.40 ? 160 ARG B NH1 1 ATOM 2324 N NH2 . ARG B 2 163 ? 34.943 13.700 -1.998 1.00 51.82 ? 160 ARG B NH2 1 ATOM 2325 N N . ILE B 2 164 ? 27.317 15.880 2.874 1.00 46.63 ? 161 ILE B N 1 ATOM 2326 C CA . ILE B 2 164 ? 26.399 16.869 3.413 1.00 48.92 ? 161 ILE B CA 1 ATOM 2327 C C . ILE B 2 164 ? 27.189 17.895 4.223 1.00 50.63 ? 161 ILE B C 1 ATOM 2328 O O . ILE B 2 164 ? 28.070 17.539 5.010 1.00 51.01 ? 161 ILE B O 1 ATOM 2329 C CB . ILE B 2 164 ? 25.285 16.222 4.276 1.00 48.74 ? 161 ILE B CB 1 ATOM 2330 C CG1 . ILE B 2 164 ? 25.881 15.429 5.430 1.00 49.27 ? 161 ILE B CG1 1 ATOM 2331 C CG2 . ILE B 2 164 ? 24.449 15.271 3.445 1.00 48.32 ? 161 ILE B CG2 1 ATOM 2332 C CD1 . ILE B 2 164 ? 24.832 14.796 6.300 1.00 50.89 ? 161 ILE B CD1 1 ATOM 2333 N N . ALA B 2 165 ? 26.887 19.170 4.007 1.00 52.02 ? 162 ALA B N 1 ATOM 2334 C CA . ALA B 2 165 ? 27.582 20.244 4.703 1.00 53.17 ? 162 ALA B CA 1 ATOM 2335 C C . ALA B 2 165 ? 27.245 20.213 6.189 1.00 53.77 ? 162 ALA B C 1 ATOM 2336 O O . ALA B 2 165 ? 26.085 20.360 6.564 1.00 53.56 ? 162 ALA B O 1 ATOM 2337 C CB . ALA B 2 165 ? 27.201 21.586 4.098 1.00 53.58 ? 162 ALA B CB 1 ATOM 2338 N N . ALA B 2 166 ? 28.260 20.021 7.030 1.00 54.79 ? 163 ALA B N 1 ATOM 2339 C CA . ALA B 2 166 ? 28.060 19.952 8.479 1.00 55.92 ? 163 ALA B CA 1 ATOM 2340 C C . ALA B 2 166 ? 27.381 21.202 9.034 1.00 56.89 ? 163 ALA B C 1 ATOM 2341 O O . ALA B 2 166 ? 26.909 21.203 10.171 1.00 57.08 ? 163 ALA B O 1 ATOM 2342 C CB . ALA B 2 166 ? 29.377 19.710 9.186 1.00 55.48 ? 163 ALA B CB 1 ATOM 2343 N N . SER B 2 167 ? 27.329 22.255 8.218 1.00 58.32 ? 164 SER B N 1 ATOM 2344 C CA . SER B 2 167 ? 26.647 23.506 8.562 1.00 59.69 ? 164 SER B CA 1 ATOM 2345 C C . SER B 2 167 ? 25.153 23.262 8.706 1.00 60.41 ? 164 SER B C 1 ATOM 2346 O O . SER B 2 167 ? 24.366 24.203 8.823 1.00 60.71 ? 164 SER B O 1 ATOM 2347 C CB . SER B 2 167 ? 26.854 24.550 7.460 1.00 59.96 ? 164 SER B CB 1 ATOM 2348 O OG . SER B 2 167 ? 28.214 24.666 7.095 1.00 61.70 ? 164 SER B OG 1 ATOM 2349 N N . THR B 2 168 ? 24.762 21.994 8.669 1.00 61.55 ? 165 THR B N 1 ATOM 2350 C CA . THR B 2 168 ? 23.357 21.631 8.738 1.00 62.56 ? 165 THR B CA 1 ATOM 2351 C C . THR B 2 168 ? 23.155 20.545 9.784 1.00 62.77 ? 165 THR B C 1 ATOM 2352 O O . THR B 2 168 ? 22.082 19.959 9.883 1.00 62.87 ? 165 THR B O 1 ATOM 2353 C CB . THR B 2 168 ? 22.852 21.116 7.373 1.00 62.68 ? 165 THR B CB 1 ATOM 2354 O OG1 . THR B 2 168 ? 23.562 19.924 7.024 1.00 64.39 ? 165 THR B OG1 1 ATOM 2355 C CG2 . THR B 2 168 ? 23.071 22.153 6.277 1.00 62.81 ? 165 THR B CG2 1 ATOM 2356 N N . LEU B 2 169 ? 24.189 20.277 10.569 1.00 63.41 ? 166 LEU B N 1 ATOM 2357 C CA . LEU B 2 169 ? 24.105 19.207 11.548 1.00 64.44 ? 166 LEU B CA 1 ATOM 2358 C C . LEU B 2 169 ? 24.405 19.683 12.955 1.00 64.42 ? 166 LEU B C 1 ATOM 2359 O O . LEU B 2 169 ? 25.567 19.920 13.308 1.00 64.29 ? 166 LEU B O 1 ATOM 2360 C CB . LEU B 2 169 ? 25.053 18.061 11.179 1.00 65.24 ? 166 LEU B CB 1 ATOM 2361 C CG . LEU B 2 169 ? 25.090 17.582 9.721 1.00 65.49 ? 166 LEU B CG 1 ATOM 2362 C CD1 . LEU B 2 169 ? 26.027 16.387 9.617 1.00 64.82 ? 166 LEU B CD1 1 ATOM 2363 C CD2 . LEU B 2 169 ? 23.687 17.224 9.224 1.00 64.46 ? 166 LEU B CD2 1 ATOM 2364 N N . LYS B 2 170 ? 23.347 19.819 13.753 1.00 64.40 ? 167 LYS B N 1 ATOM 2365 C CA . LYS B 2 170 ? 23.494 20.210 15.149 1.00 64.16 ? 167 LYS B CA 1 ATOM 2366 C C . LYS B 2 170 ? 24.459 19.239 15.819 1.00 64.00 ? 167 LYS B C 1 ATOM 2367 O O . LYS B 2 170 ? 24.133 18.075 16.036 1.00 64.52 ? 167 LYS B O 1 ATOM 2368 C CB . LYS B 2 170 ? 22.139 20.181 15.870 1.00 63.92 ? 167 LYS B CB 1 ATOM 2369 C CG . LYS B 2 170 ? 21.106 21.170 15.329 1.00 64.00 ? 167 LYS B CG 1 ATOM 2370 C CD . LYS B 2 170 ? 19.805 21.115 16.125 1.00 64.23 ? 167 LYS B CD 1 ATOM 2371 C CE . LYS B 2 170 ? 19.120 19.756 15.999 1.00 64.91 ? 167 LYS B CE 1 ATOM 2372 N NZ . LYS B 2 170 ? 17.961 19.646 16.933 1.00 64.70 ? 167 LYS B NZ 1 ATOM 2373 N N . SER B 2 171 ? 25.661 19.717 16.118 1.00 63.47 ? 168 SER B N 1 ATOM 2374 C CA . SER B 2 171 ? 26.655 18.898 16.800 1.00 62.89 ? 168 SER B CA 1 ATOM 2375 C C . SER B 2 171 ? 26.153 18.502 18.190 1.00 62.39 ? 168 SER B C 1 ATOM 2376 O O . SER B 2 171 ? 25.050 18.877 18.591 1.00 62.37 ? 168 SER B O 1 ATOM 2377 C CB . SER B 2 171 ? 27.975 19.665 16.909 1.00 62.93 ? 168 SER B CB 1 ATOM 2378 O OG . SER B 2 171 ? 27.746 20.988 17.374 1.00 62.58 ? 168 SER B OG 1 ATOM 2379 N N . GLY B 2 172 ? 26.957 17.728 18.916 1.00 61.75 ? 169 GLY B N 1 ATOM 2380 C CA . GLY B 2 172 ? 26.594 17.326 20.270 1.00 60.33 ? 169 GLY B CA 1 ATOM 2381 C C . GLY B 2 172 ? 25.607 16.177 20.367 1.00 59.47 ? 169 GLY B C 1 ATOM 2382 O O . GLY B 2 172 ? 25.626 15.424 21.342 1.00 59.71 ? 169 GLY B O 1 ATOM 2383 N N . ILE B 2 173 ? 24.735 16.044 19.370 1.00 58.09 ? 170 ILE B N 1 ATOM 2384 C CA . ILE B 2 173 ? 23.767 14.951 19.349 1.00 56.28 ? 170 ILE B CA 1 ATOM 2385 C C . ILE B 2 173 ? 24.232 13.809 18.446 1.00 55.22 ? 170 ILE B C 1 ATOM 2386 O O . ILE B 2 173 ? 25.221 13.940 17.718 1.00 54.67 ? 170 ILE B O 1 ATOM 2387 C CB . ILE B 2 173 ? 22.355 15.432 18.917 1.00 55.98 ? 170 ILE B CB 1 ATOM 2388 C CG1 . ILE B 2 173 ? 22.459 16.402 17.727 1.00 55.34 ? 170 ILE B CG1 1 ATOM 2389 C CG2 . ILE B 2 173 ? 21.651 16.099 20.099 1.00 55.99 ? 170 ILE B CG2 1 ATOM 2390 C CD1 . ILE B 2 173 ? 21.117 16.792 17.134 1.00 54.88 ? 170 ILE B CD1 1 ATOM 2391 N N . SER B 2 174 ? 23.524 12.682 18.516 1.00 53.77 ? 171 SER B N 1 ATOM 2392 C CA . SER B 2 174 ? 23.815 11.546 17.652 1.00 51.88 ? 171 SER B CA 1 ATOM 2393 C C . SER B 2 174 ? 22.720 11.362 16.602 1.00 50.23 ? 171 SER B C 1 ATOM 2394 O O . SER B 2 174 ? 21.533 11.332 16.930 1.00 49.84 ? 171 SER B O 1 ATOM 2395 C CB . SER B 2 174 ? 24.009 10.271 18.482 1.00 51.72 ? 171 SER B CB 1 ATOM 2396 O OG . SER B 2 174 ? 22.877 9.997 19.290 1.00 52.01 ? 171 SER B OG 1 ATOM 2397 N N . TYR B 2 175 ? 23.132 11.273 15.337 1.00 48.71 ? 172 TYR B N 1 ATOM 2398 C CA . TYR B 2 175 ? 22.215 11.036 14.216 1.00 47.66 ? 172 TYR B CA 1 ATOM 2399 C C . TYR B 2 175 ? 22.277 9.584 13.736 1.00 45.52 ? 172 TYR B C 1 ATOM 2400 O O . TYR B 2 175 ? 23.268 8.888 13.963 1.00 45.31 ? 172 TYR B O 1 ATOM 2401 C CB . TYR B 2 175 ? 22.575 11.919 13.026 1.00 48.84 ? 172 TYR B CB 1 ATOM 2402 C CG . TYR B 2 175 ? 22.353 13.403 13.176 1.00 51.05 ? 172 TYR B CG 1 ATOM 2403 C CD1 . TYR B 2 175 ? 21.088 13.966 12.980 1.00 51.93 ? 172 TYR B CD1 1 ATOM 2404 C CD2 . TYR B 2 175 ? 23.431 14.261 13.436 1.00 52.67 ? 172 TYR B CD2 1 ATOM 2405 C CE1 . TYR B 2 175 ? 20.902 15.354 13.055 1.00 53.70 ? 172 TYR B CE1 1 ATOM 2406 C CE2 . TYR B 2 175 ? 23.258 15.647 13.512 1.00 52.95 ? 172 TYR B CE2 1 ATOM 2407 C CZ . TYR B 2 175 ? 21.995 16.187 13.321 1.00 53.59 ? 172 TYR B CZ 1 ATOM 2408 O OH . TYR B 2 175 ? 21.829 17.554 13.380 1.00 53.91 ? 172 TYR B OH 1 ATOM 2409 N N . ARG B 2 176 ? 21.226 9.142 13.054 1.00 42.52 ? 173 ARG B N 1 ATOM 2410 C CA . ARG B 2 176 ? 21.205 7.807 12.461 1.00 40.39 ? 173 ARG B CA 1 ATOM 2411 C C . ARG B 2 176 ? 20.950 7.938 10.976 1.00 38.15 ? 173 ARG B C 1 ATOM 2412 O O . ARG B 2 176 ? 20.288 8.873 10.533 1.00 37.88 ? 173 ARG B O 1 ATOM 2413 C CB . ARG B 2 176 ? 20.114 6.933 13.066 1.00 41.11 ? 173 ARG B CB 1 ATOM 2414 C CG . ARG B 2 176 ? 20.033 6.985 14.569 1.00 43.10 ? 173 ARG B CG 1 ATOM 2415 C CD . ARG B 2 176 ? 19.433 5.708 15.105 1.00 44.99 ? 173 ARG B CD 1 ATOM 2416 N NE . ARG B 2 176 ? 20.387 4.614 14.981 1.00 46.61 ? 173 ARG B NE 1 ATOM 2417 C CZ . ARG B 2 176 ? 20.203 3.398 15.471 1.00 47.31 ? 173 ARG B CZ 1 ATOM 2418 N NH1 . ARG B 2 176 ? 19.086 3.111 16.124 1.00 48.96 ? 173 ARG B NH1 1 ATOM 2419 N NH2 . ARG B 2 176 ? 21.143 2.477 15.317 1.00 47.33 ? 173 ARG B NH2 1 ATOM 2420 N N . ALA B 2 177 ? 21.471 6.983 10.214 1.00 35.47 ? 174 ALA B N 1 ATOM 2421 C CA . ALA B 2 177 ? 21.342 7.004 8.770 1.00 31.91 ? 174 ALA B CA 1 ATOM 2422 C C . ALA B 2 177 ? 21.029 5.629 8.201 1.00 29.70 ? 174 ALA B C 1 ATOM 2423 O O . ALA B 2 177 ? 21.315 4.606 8.811 1.00 29.70 ? 174 ALA B O 1 ATOM 2424 C CB . ALA B 2 177 ? 22.606 7.547 8.153 1.00 31.96 ? 174 ALA B CB 1 ATOM 2425 N N . ARG B 2 178 ? 20.436 5.618 7.018 1.00 27.44 ? 175 ARG B N 1 ATOM 2426 C CA . ARG B 2 178 ? 20.099 4.381 6.336 1.00 25.23 ? 175 ARG B CA 1 ATOM 2427 C C . ARG B 2 178 ? 19.858 4.740 4.879 1.00 23.91 ? 175 ARG B C 1 ATOM 2428 O O . ARG B 2 178 ? 19.471 5.871 4.574 1.00 23.39 ? 175 ARG B O 1 ATOM 2429 C CB . ARG B 2 178 ? 18.853 3.753 6.953 1.00 23.86 ? 175 ARG B CB 1 ATOM 2430 C CG . ARG B 2 178 ? 17.631 4.609 6.813 1.00 23.61 ? 175 ARG B CG 1 ATOM 2431 C CD . ARG B 2 178 ? 16.449 3.992 7.495 1.00 25.04 ? 175 ARG B CD 1 ATOM 2432 N NE . ARG B 2 178 ? 15.246 4.774 7.231 1.00 27.52 ? 175 ARG B NE 1 ATOM 2433 C CZ . ARG B 2 178 ? 14.015 4.400 7.566 1.00 28.12 ? 175 ARG B CZ 1 ATOM 2434 N NH1 . ARG B 2 178 ? 13.812 3.245 8.192 1.00 27.29 ? 175 ARG B NH1 1 ATOM 2435 N NH2 . ARG B 2 178 ? 12.986 5.182 7.265 1.00 27.88 ? 175 ARG B NH2 1 ATOM 2436 N N . VAL B 2 179 ? 20.074 3.792 3.976 1.00 22.36 ? 176 VAL B N 1 ATOM 2437 C CA . VAL B 2 179 ? 19.911 4.099 2.565 1.00 21.45 ? 176 VAL B CA 1 ATOM 2438 C C . VAL B 2 179 ? 19.181 3.019 1.805 1.00 19.95 ? 176 VAL B C 1 ATOM 2439 O O . VAL B 2 179 ? 19.220 1.856 2.182 1.00 20.88 ? 176 VAL B O 1 ATOM 2440 C CB . VAL B 2 179 ? 21.279 4.353 1.912 1.00 21.70 ? 176 VAL B CB 1 ATOM 2441 C CG1 . VAL B 2 179 ? 22.096 3.094 1.928 1.00 21.23 ? 176 VAL B CG1 1 ATOM 2442 C CG2 . VAL B 2 179 ? 21.113 4.885 0.503 1.00 22.88 ? 176 VAL B CG2 1 ATOM 2443 N N . ARG B 2 180 ? 18.504 3.417 0.740 1.00 18.83 ? 177 ARG B N 1 ATOM 2444 C CA . ARG B 2 180 ? 17.830 2.473 -0.122 1.00 19.01 ? 177 ARG B CA 1 ATOM 2445 C C . ARG B 2 180 ? 18.155 2.819 -1.564 1.00 19.13 ? 177 ARG B C 1 ATOM 2446 O O . ARG B 2 180 ? 18.774 3.855 -1.831 1.00 18.81 ? 177 ARG B O 1 ATOM 2447 C CB . ARG B 2 180 ? 16.331 2.520 0.108 1.00 18.99 ? 177 ARG B CB 1 ATOM 2448 C CG . ARG B 2 180 ? 15.720 3.847 -0.192 1.00 20.91 ? 177 ARG B CG 1 ATOM 2449 C CD . ARG B 2 180 ? 14.243 3.789 0.079 1.00 22.98 ? 177 ARG B CD 1 ATOM 2450 N NE . ARG B 2 180 ? 13.585 5.021 -0.331 1.00 23.89 ? 177 ARG B NE 1 ATOM 2451 C CZ . ARG B 2 180 ? 12.346 5.341 0.013 1.00 24.38 ? 177 ARG B CZ 1 ATOM 2452 N NH1 . ARG B 2 180 ? 11.639 4.507 0.761 1.00 23.47 ? 177 ARG B NH1 1 ATOM 2453 N NH2 . ARG B 2 180 ? 11.815 6.490 -0.390 1.00 25.52 ? 177 ARG B NH2 1 ATOM 2454 N N . ALA B 2 181 ? 17.719 1.966 -2.492 1.00 18.60 ? 178 ALA B N 1 ATOM 2455 C CA . ALA B 2 181 ? 18.084 2.135 -3.892 1.00 18.22 ? 178 ALA B CA 1 ATOM 2456 C C . ALA B 2 181 ? 16.975 1.762 -4.862 1.00 18.66 ? 178 ALA B C 1 ATOM 2457 O O . ALA B 2 181 ? 16.072 0.997 -4.517 1.00 19.00 ? 178 ALA B O 1 ATOM 2458 C CB . ALA B 2 181 ? 19.302 1.313 -4.182 1.00 16.72 ? 178 ALA B CB 1 ATOM 2459 N N . TRP B 2 182 ? 17.051 2.311 -6.075 1.00 18.44 ? 179 TRP B N 1 ATOM 2460 C CA . TRP B 2 182 ? 16.119 1.967 -7.138 1.00 19.48 ? 179 TRP B CA 1 ATOM 2461 C C . TRP B 2 182 ? 16.831 2.142 -8.469 1.00 19.00 ? 179 TRP B C 1 ATOM 2462 O O . TRP B 2 182 ? 17.860 2.817 -8.532 1.00 19.66 ? 179 TRP B O 1 ATOM 2463 C CB . TRP B 2 182 ? 14.858 2.841 -7.068 1.00 21.98 ? 179 TRP B CB 1 ATOM 2464 C CG . TRP B 2 182 ? 14.931 4.129 -7.827 1.00 24.62 ? 179 TRP B CG 1 ATOM 2465 C CD1 . TRP B 2 182 ? 15.814 5.145 -7.627 1.00 26.99 ? 179 TRP B CD1 1 ATOM 2466 C CD2 . TRP B 2 182 ? 14.070 4.546 -8.893 1.00 26.70 ? 179 TRP B CD2 1 ATOM 2467 N NE1 . TRP B 2 182 ? 15.564 6.170 -8.503 1.00 27.67 ? 179 TRP B NE1 1 ATOM 2468 C CE2 . TRP B 2 182 ? 14.500 5.832 -9.295 1.00 27.10 ? 179 TRP B CE2 1 ATOM 2469 C CE3 . TRP B 2 182 ? 12.979 3.959 -9.553 1.00 28.35 ? 179 TRP B CE3 1 ATOM 2470 C CZ2 . TRP B 2 182 ? 13.876 6.551 -10.327 1.00 26.68 ? 179 TRP B CZ2 1 ATOM 2471 C CZ3 . TRP B 2 182 ? 12.357 4.672 -10.586 1.00 29.85 ? 179 TRP B CZ3 1 ATOM 2472 C CH2 . TRP B 2 182 ? 12.812 5.961 -10.959 1.00 28.29 ? 179 TRP B CH2 1 ATOM 2473 N N . ALA B 2 183 ? 16.310 1.518 -9.522 1.00 18.23 ? 180 ALA B N 1 ATOM 2474 C CA . ALA B 2 183 ? 16.898 1.664 -10.850 1.00 17.40 ? 180 ALA B CA 1 ATOM 2475 C C . ALA B 2 183 ? 15.854 2.147 -11.846 1.00 17.31 ? 180 ALA B C 1 ATOM 2476 O O . ALA B 2 183 ? 14.963 1.401 -12.265 1.00 17.34 ? 180 ALA B O 1 ATOM 2477 C CB . ALA B 2 183 ? 17.524 0.362 -11.315 1.00 17.10 ? 180 ALA B CB 1 ATOM 2478 N N . GLN B 2 184 ? 15.978 3.411 -12.216 1.00 16.94 ? 181 GLN B N 1 ATOM 2479 C CA . GLN B 2 184 ? 15.071 4.037 -13.148 1.00 16.68 ? 181 GLN B CA 1 ATOM 2480 C C . GLN B 2 184 ? 14.993 3.317 -14.504 1.00 15.84 ? 181 GLN B C 1 ATOM 2481 O O . GLN B 2 184 ? 13.909 3.190 -15.081 1.00 15.23 ? 181 GLN B O 1 ATOM 2482 C CB . GLN B 2 184 ? 15.511 5.470 -13.344 1.00 17.69 ? 181 GLN B CB 1 ATOM 2483 C CG . GLN B 2 184 ? 14.518 6.336 -14.033 1.00 21.53 ? 181 GLN B CG 1 ATOM 2484 C CD . GLN B 2 184 ? 15.164 7.594 -14.520 1.00 25.62 ? 181 GLN B CD 1 ATOM 2485 O OE1 . GLN B 2 184 ? 15.738 7.614 -15.607 1.00 29.93 ? 181 GLN B OE1 1 ATOM 2486 N NE2 . GLN B 2 184 ? 15.107 8.654 -13.712 1.00 26.84 ? 181 GLN B NE2 1 ATOM 2487 N N . CYS B 2 185 ? 16.124 2.839 -15.012 1.00 13.88 ? 182 CYS B N 1 ATOM 2488 C CA . CYS B 2 185 ? 16.114 2.156 -16.303 1.00 13.37 ? 182 CYS B CA 1 ATOM 2489 C C . CYS B 2 185 ? 15.106 1.020 -16.353 1.00 13.61 ? 182 CYS B C 1 ATOM 2490 O O . CYS B 2 185 ? 14.508 0.754 -17.396 1.00 13.38 ? 182 CYS B O 1 ATOM 2491 C CB . CYS B 2 185 ? 17.485 1.628 -16.627 1.00 13.39 ? 182 CYS B CB 1 ATOM 2492 N N . TYR B 2 186 ? 14.929 0.334 -15.230 1.00 13.99 ? 183 TYR B N 1 ATOM 2493 C CA . TYR B 2 186 ? 14.024 -0.802 -15.193 1.00 14.76 ? 183 TYR B CA 1 ATOM 2494 C C . TYR B 2 186 ? 12.694 -0.432 -14.549 1.00 16.64 ? 183 TYR B C 1 ATOM 2495 O O . TYR B 2 186 ? 11.851 -1.288 -14.283 1.00 17.08 ? 183 TYR B O 1 ATOM 2496 C CB . TYR B 2 186 ? 14.685 -1.966 -14.465 1.00 12.94 ? 183 TYR B CB 1 ATOM 2497 C CG . TYR B 2 186 ? 15.714 -2.698 -15.300 1.00 11.55 ? 183 TYR B CG 1 ATOM 2498 C CD1 . TYR B 2 186 ? 15.400 -3.902 -15.942 1.00 9.07 ? 183 TYR B CD1 1 ATOM 2499 C CD2 . TYR B 2 186 ? 17.004 -2.186 -15.453 1.00 11.73 ? 183 TYR B CD2 1 ATOM 2500 C CE1 . TYR B 2 186 ? 16.348 -4.574 -16.717 1.00 8.47 ? 183 TYR B CE1 1 ATOM 2501 C CE2 . TYR B 2 186 ? 17.954 -2.845 -16.228 1.00 11.43 ? 183 TYR B CE2 1 ATOM 2502 C CZ . TYR B 2 186 ? 17.623 -4.036 -16.853 1.00 10.13 ? 183 TYR B CZ 1 ATOM 2503 O OH . TYR B 2 186 ? 18.584 -4.667 -17.606 1.00 10.73 ? 183 TYR B OH 1 ATOM 2504 N N . ASN B 2 187 ? 12.499 0.858 -14.315 1.00 18.46 ? 184 ASN B N 1 ATOM 2505 C CA . ASN B 2 187 ? 11.282 1.324 -13.677 1.00 20.57 ? 184 ASN B CA 1 ATOM 2506 C C . ASN B 2 187 ? 10.956 0.496 -12.438 1.00 18.85 ? 184 ASN B C 1 ATOM 2507 O O . ASN B 2 187 ? 9.829 0.059 -12.249 1.00 18.77 ? 184 ASN B O 1 ATOM 2508 C CB . ASN B 2 187 ? 10.123 1.274 -14.669 1.00 23.93 ? 184 ASN B CB 1 ATOM 2509 C CG . ASN B 2 187 ? 8.959 2.115 -14.230 1.00 31.84 ? 184 ASN B CG 1 ATOM 2510 O OD1 . ASN B 2 187 ? 9.147 3.250 -13.793 1.00 32.85 ? 184 ASN B OD1 1 ATOM 2511 N ND2 . ASN B 2 187 ? 7.746 1.569 -14.344 1.00 42.56 ? 184 ASN B ND2 1 ATOM 2512 N N . THR B 2 188 ? 11.958 0.287 -11.592 1.00 17.54 ? 185 THR B N 1 ATOM 2513 C CA . THR B 2 188 ? 11.804 -0.535 -10.396 1.00 16.38 ? 185 THR B CA 1 ATOM 2514 C C . THR B 2 188 ? 11.127 0.229 -9.264 1.00 15.88 ? 185 THR B C 1 ATOM 2515 O O . THR B 2 188 ? 10.901 1.426 -9.373 1.00 17.27 ? 185 THR B O 1 ATOM 2516 C CB . THR B 2 188 ? 13.174 -1.037 -9.915 1.00 15.83 ? 185 THR B CB 1 ATOM 2517 O OG1 . THR B 2 188 ? 13.889 0.025 -9.257 1.00 14.42 ? 185 THR B OG1 1 ATOM 2518 C CG2 . THR B 2 188 ? 13.973 -1.482 -11.096 1.00 14.37 ? 185 THR B CG2 1 ATOM 2519 N N . THR B 2 189 ? 10.788 -0.473 -8.187 1.00 15.37 ? 186 THR B N 1 ATOM 2520 C CA . THR B 2 189 ? 10.282 0.181 -6.991 1.00 16.43 ? 186 THR B CA 1 ATOM 2521 C C . THR B 2 189 ? 11.498 0.367 -6.096 1.00 16.51 ? 186 THR B C 1 ATOM 2522 O O . THR B 2 189 ? 12.611 0.018 -6.504 1.00 16.22 ? 186 THR B O 1 ATOM 2523 C CB . THR B 2 189 ? 9.218 -0.666 -6.261 1.00 17.38 ? 186 THR B CB 1 ATOM 2524 O OG1 . THR B 2 189 ? 9.777 -1.927 -5.870 1.00 18.11 ? 186 THR B OG1 1 ATOM 2525 C CG2 . THR B 2 189 ? 8.012 -0.885 -7.158 1.00 17.49 ? 186 THR B CG2 1 ATOM 2526 N N . TRP B 2 190 ? 11.305 0.913 -4.893 1.00 16.58 ? 187 TRP B N 1 ATOM 2527 C CA . TRP B 2 190 ? 12.427 1.092 -3.964 1.00 16.55 ? 187 TRP B CA 1 ATOM 2528 C C . TRP B 2 190 ? 12.802 -0.197 -3.278 1.00 15.67 ? 187 TRP B C 1 ATOM 2529 O O . TRP B 2 190 ? 11.975 -1.084 -3.098 1.00 15.66 ? 187 TRP B O 1 ATOM 2530 C CB . TRP B 2 190 ? 12.110 2.120 -2.876 1.00 17.63 ? 187 TRP B CB 1 ATOM 2531 C CG . TRP B 2 190 ? 12.137 3.541 -3.335 1.00 18.23 ? 187 TRP B CG 1 ATOM 2532 C CD1 . TRP B 2 190 ? 11.062 4.366 -3.536 1.00 17.18 ? 187 TRP B CD1 1 ATOM 2533 C CD2 . TRP B 2 190 ? 13.300 4.310 -3.654 1.00 20.01 ? 187 TRP B CD2 1 ATOM 2534 N NE1 . TRP B 2 190 ? 11.487 5.602 -3.967 1.00 18.50 ? 187 TRP B NE1 1 ATOM 2535 C CE2 . TRP B 2 190 ? 12.857 5.594 -4.051 1.00 20.67 ? 187 TRP B CE2 1 ATOM 2536 C CE3 . TRP B 2 190 ? 14.677 4.043 -3.640 1.00 19.48 ? 187 TRP B CE3 1 ATOM 2537 C CZ2 . TRP B 2 190 ? 13.745 6.608 -4.434 1.00 20.26 ? 187 TRP B CZ2 1 ATOM 2538 C CZ3 . TRP B 2 190 ? 15.558 5.049 -4.024 1.00 19.64 ? 187 TRP B CZ3 1 ATOM 2539 C CH2 . TRP B 2 190 ? 15.086 6.317 -4.415 1.00 19.31 ? 187 TRP B CH2 1 ATOM 2540 N N . SER B 2 191 ? 14.060 -0.296 -2.888 1.00 15.72 ? 188 SER B N 1 ATOM 2541 C CA . SER B 2 191 ? 14.520 -1.453 -2.154 1.00 16.43 ? 188 SER B CA 1 ATOM 2542 C C . SER B 2 191 ? 14.100 -1.218 -0.719 1.00 17.65 ? 188 SER B C 1 ATOM 2543 O O . SER B 2 191 ? 13.539 -0.170 -0.384 1.00 18.44 ? 188 SER B O 1 ATOM 2544 C CB . SER B 2 191 ? 16.032 -1.528 -2.184 1.00 15.69 ? 188 SER B CB 1 ATOM 2545 O OG . SER B 2 191 ? 16.551 -0.600 -1.248 1.00 14.97 ? 188 SER B OG 1 ATOM 2546 N N . GLU B 2 192 ? 14.390 -2.185 0.136 1.00 18.20 ? 189 GLU B N 1 ATOM 2547 C CA . GLU B 2 192 ? 14.112 -2.027 1.541 1.00 18.88 ? 189 GLU B CA 1 ATOM 2548 C C . GLU B 2 192 ? 15.202 -1.134 2.088 1.00 19.06 ? 189 GLU B C 1 ATOM 2549 O O . GLU B 2 192 ? 16.247 -0.961 1.454 1.00 19.73 ? 189 GLU B O 1 ATOM 2550 C CB . GLU B 2 192 ? 14.123 -3.392 2.226 1.00 19.57 ? 189 GLU B CB 1 ATOM 2551 C CG . GLU B 2 192 ? 12.912 -4.252 1.861 1.00 22.96 ? 189 GLU B CG 1 ATOM 2552 C CD . GLU B 2 192 ? 11.600 -3.576 2.247 1.00 27.26 ? 189 GLU B CD 1 ATOM 2553 O OE1 . GLU B 2 192 ? 11.445 -3.215 3.438 1.00 26.27 ? 189 GLU B OE1 1 ATOM 2554 O OE2 . GLU B 2 192 ? 10.729 -3.389 1.366 1.00 30.81 ? 189 GLU B OE2 1 ATOM 2555 N N . TRP B 2 193 ? 14.954 -0.540 3.245 1.00 18.93 ? 190 TRP B N 1 ATOM 2556 C CA . TRP B 2 193 ? 15.971 0.260 3.901 1.00 17.89 ? 190 TRP B CA 1 ATOM 2557 C C . TRP B 2 193 ? 17.047 -0.652 4.428 1.00 18.54 ? 190 TRP B C 1 ATOM 2558 O O . TRP B 2 193 ? 16.760 -1.762 4.893 1.00 18.41 ? 190 TRP B O 1 ATOM 2559 C CB . TRP B 2 193 ? 15.386 1.014 5.078 1.00 17.91 ? 190 TRP B CB 1 ATOM 2560 C CG . TRP B 2 193 ? 14.552 2.170 4.695 1.00 15.72 ? 190 TRP B CG 1 ATOM 2561 C CD1 . TRP B 2 193 ? 13.211 2.315 4.896 1.00 14.25 ? 190 TRP B CD1 1 ATOM 2562 C CD2 . TRP B 2 193 ? 14.996 3.362 4.049 1.00 14.19 ? 190 TRP B CD2 1 ATOM 2563 N NE1 . TRP B 2 193 ? 12.791 3.526 4.414 1.00 14.37 ? 190 TRP B NE1 1 ATOM 2564 C CE2 . TRP B 2 193 ? 13.865 4.185 3.877 1.00 13.92 ? 190 TRP B CE2 1 ATOM 2565 C CE3 . TRP B 2 193 ? 16.237 3.809 3.584 1.00 14.35 ? 190 TRP B CE3 1 ATOM 2566 C CZ2 . TRP B 2 193 ? 13.938 5.436 3.265 1.00 13.86 ? 190 TRP B CZ2 1 ATOM 2567 C CZ3 . TRP B 2 193 ? 16.314 5.052 2.980 1.00 14.64 ? 190 TRP B CZ3 1 ATOM 2568 C CH2 . TRP B 2 193 ? 15.169 5.857 2.831 1.00 14.47 ? 190 TRP B CH2 1 ATOM 2569 N N . SER B 2 194 ? 18.281 -0.164 4.358 1.00 18.80 ? 191 SER B N 1 ATOM 2570 C CA . SER B 2 194 ? 19.441 -0.881 4.848 1.00 19.42 ? 191 SER B CA 1 ATOM 2571 C C . SER B 2 194 ? 19.506 -0.714 6.355 1.00 21.25 ? 191 SER B C 1 ATOM 2572 O O . SER B 2 194 ? 18.885 0.198 6.901 1.00 20.56 ? 191 SER B O 1 ATOM 2573 C CB . SER B 2 194 ? 20.690 -0.266 4.249 1.00 19.13 ? 191 SER B CB 1 ATOM 2574 O OG . SER B 2 194 ? 20.825 1.074 4.687 1.00 18.52 ? 191 SER B OG 1 ATOM 2575 N N . PRO B 2 195 ? 20.256 -1.597 7.050 1.00 23.53 ? 192 PRO B N 1 ATOM 2576 C CA . PRO B 2 195 ? 20.381 -1.408 8.504 1.00 24.16 ? 192 PRO B CA 1 ATOM 2577 C C . PRO B 2 195 ? 20.862 0.015 8.754 1.00 25.59 ? 192 PRO B C 1 ATOM 2578 O O . PRO B 2 195 ? 21.589 0.576 7.924 1.00 24.76 ? 192 PRO B O 1 ATOM 2579 C CB . PRO B 2 195 ? 21.421 -2.457 8.918 1.00 24.29 ? 192 PRO B CB 1 ATOM 2580 C CG . PRO B 2 195 ? 22.082 -2.912 7.598 1.00 23.33 ? 192 PRO B CG 1 ATOM 2581 C CD . PRO B 2 195 ? 20.994 -2.789 6.584 1.00 23.19 ? 192 PRO B CD 1 ATOM 2582 N N . SER B 2 196 ? 20.443 0.609 9.867 1.00 28.02 ? 193 SER B N 1 ATOM 2583 C CA . SER B 2 196 ? 20.789 2.007 10.122 1.00 30.36 ? 193 SER B CA 1 ATOM 2584 C C . SER B 2 196 ? 22.186 2.167 10.702 1.00 31.57 ? 193 SER B C 1 ATOM 2585 O O . SER B 2 196 ? 22.863 1.189 10.992 1.00 31.21 ? 193 SER B O 1 ATOM 2586 C CB . SER B 2 196 ? 19.765 2.663 11.037 1.00 29.80 ? 193 SER B CB 1 ATOM 2587 O OG . SER B 2 196 ? 20.095 2.416 12.387 1.00 33.26 ? 193 SER B OG 1 ATOM 2588 N N . THR B 2 197 ? 22.621 3.407 10.860 1.00 34.50 ? 194 THR B N 1 ATOM 2589 C CA . THR B 2 197 ? 23.943 3.665 11.391 1.00 38.21 ? 194 THR B CA 1 ATOM 2590 C C . THR B 2 197 ? 23.955 4.966 12.166 1.00 41.63 ? 194 THR B C 1 ATOM 2591 O O . THR B 2 197 ? 23.810 6.038 11.578 1.00 42.11 ? 194 THR B O 1 ATOM 2592 C CB . THR B 2 197 ? 24.971 3.712 10.262 1.00 37.45 ? 194 THR B CB 1 ATOM 2593 O OG1 . THR B 2 197 ? 25.001 2.432 9.627 1.00 38.13 ? 194 THR B OG1 1 ATOM 2594 C CG2 . THR B 2 197 ? 26.361 4.037 10.789 1.00 36.33 ? 194 THR B CG2 1 ATOM 2595 N N . LYS B 2 198 ? 24.125 4.863 13.486 1.00 45.32 ? 195 LYS B N 1 ATOM 2596 C CA . LYS B 2 198 ? 24.198 6.042 14.351 1.00 48.57 ? 195 LYS B CA 1 ATOM 2597 C C . LYS B 2 198 ? 25.630 6.500 14.593 1.00 49.86 ? 195 LYS B C 1 ATOM 2598 O O . LYS B 2 198 ? 26.552 5.690 14.719 1.00 48.78 ? 195 LYS B O 1 ATOM 2599 C CB . LYS B 2 198 ? 23.491 5.805 15.692 1.00 49.42 ? 195 LYS B CB 1 ATOM 2600 C CG . LYS B 2 198 ? 24.071 4.684 16.518 1.00 51.52 ? 195 LYS B CG 1 ATOM 2601 C CD . LYS B 2 198 ? 23.404 4.605 17.875 1.00 54.60 ? 195 LYS B CD 1 ATOM 2602 C CE . LYS B 2 198 ? 24.046 3.484 18.687 1.00 58.14 ? 195 LYS B CE 1 ATOM 2603 N NZ . LYS B 2 198 ? 23.477 3.385 20.078 1.00 60.60 ? 195 LYS B NZ 1 ATOM 2604 N N . TRP B 2 199 ? 25.802 7.813 14.659 1.00 52.45 ? 196 TRP B N 1 ATOM 2605 C CA . TRP B 2 199 ? 27.107 8.397 14.898 1.00 55.20 ? 196 TRP B CA 1 ATOM 2606 C C . TRP B 2 199 ? 26.930 9.701 15.662 1.00 57.50 ? 196 TRP B C 1 ATOM 2607 O O . TRP B 2 199 ? 25.969 10.430 15.419 1.00 58.19 ? 196 TRP B O 1 ATOM 2608 C CB . TRP B 2 199 ? 27.795 8.671 13.563 1.00 54.05 ? 196 TRP B CB 1 ATOM 2609 C CG . TRP B 2 199 ? 27.368 9.954 12.933 1.00 53.06 ? 196 TRP B CG 1 ATOM 2610 C CD1 . TRP B 2 199 ? 27.925 11.180 13.132 1.00 52.28 ? 196 TRP B CD1 1 ATOM 2611 C CD2 . TRP B 2 199 ? 26.280 10.149 12.019 1.00 53.31 ? 196 TRP B CD2 1 ATOM 2612 N NE1 . TRP B 2 199 ? 27.259 12.130 12.396 1.00 52.61 ? 196 TRP B NE1 1 ATOM 2613 C CE2 . TRP B 2 199 ? 26.245 11.527 11.702 1.00 52.53 ? 196 TRP B CE2 1 ATOM 2614 C CE3 . TRP B 2 199 ? 25.335 9.296 11.431 1.00 52.95 ? 196 TRP B CE3 1 ATOM 2615 C CZ2 . TRP B 2 199 ? 25.303 12.074 10.825 1.00 51.82 ? 196 TRP B CZ2 1 ATOM 2616 C CZ3 . TRP B 2 199 ? 24.395 9.845 10.551 1.00 52.83 ? 196 TRP B CZ3 1 ATOM 2617 C CH2 . TRP B 2 199 ? 24.391 11.221 10.258 1.00 51.90 ? 196 TRP B CH2 1 ATOM 2618 N N . HIS B 2 200 ? 27.855 9.986 16.581 1.00 60.12 ? 197 HIS B N 1 ATOM 2619 C CA . HIS B 2 200 ? 27.867 11.252 17.314 1.00 62.61 ? 197 HIS B CA 1 ATOM 2620 C C . HIS B 2 200 ? 28.986 12.134 16.747 1.00 64.19 ? 197 HIS B C 1 ATOM 2621 O O . HIS B 2 200 ? 30.172 11.830 16.944 1.00 64.22 ? 197 HIS B O 1 ATOM 2622 C CB . HIS B 2 200 ? 28.113 10.992 18.802 1.00 63.45 ? 197 HIS B CB 1 ATOM 2623 C CG . HIS B 2 200 ? 28.091 12.227 19.653 1.00 65.08 ? 197 HIS B CG 1 ATOM 2624 N ND1 . HIS B 2 200 ? 28.797 13.369 19.334 1.00 65.57 ? 197 HIS B ND1 1 ATOM 2625 C CD2 . HIS B 2 200 ? 27.462 12.490 20.824 1.00 65.36 ? 197 HIS B CD2 1 ATOM 2626 C CE1 . HIS B 2 200 ? 28.591 14.286 20.263 1.00 65.25 ? 197 HIS B CE1 1 ATOM 2627 N NE2 . HIS B 2 200 ? 27.787 13.777 21.179 1.00 65.38 ? 197 HIS B NE2 1 ATOM 2628 N N . ASN B 2 201 ? 28.614 13.216 16.052 1.00 65.80 ? 198 ASN B N 1 ATOM 2629 C CA . ASN B 2 201 ? 29.605 14.105 15.427 1.00 67.41 ? 198 ASN B CA 1 ATOM 2630 C C . ASN B 2 201 ? 29.928 15.347 16.265 1.00 68.46 ? 198 ASN B C 1 ATOM 2631 O O . ASN B 2 201 ? 29.120 15.769 17.099 1.00 68.68 ? 198 ASN B O 1 ATOM 2632 C CB . ASN B 2 201 ? 29.129 14.535 14.036 1.00 67.69 ? 198 ASN B CB 1 ATOM 2633 C CG . ASN B 2 201 ? 27.914 15.449 14.088 1.00 68.51 ? 198 ASN B CG 1 ATOM 2634 O OD1 . ASN B 2 201 ? 27.218 15.510 15.120 1.00 68.97 ? 198 ASN B OD1 1 ATOM 2635 N ND2 . ASN B 2 201 ? 27.653 16.163 12.968 1.00 69.19 ? 198 ASN B ND2 1 ATOM 2636 N N . SER B 2 202 ? 31.103 15.934 16.034 1.00 69.30 ? 199 SER B N 1 ATOM 2637 C CA . SER B 2 202 ? 31.532 17.118 16.785 1.00 70.25 ? 199 SER B CA 1 ATOM 2638 C C . SER B 2 202 ? 32.052 18.243 15.882 1.00 70.67 ? 199 SER B C 1 ATOM 2639 O O . SER B 2 202 ? 33.052 18.927 16.226 1.00 70.76 ? 199 SER B O 1 ATOM 2640 C CB . SER B 2 202 ? 32.597 16.730 17.818 1.00 70.46 ? 199 SER B CB 1 ATOM 2641 O OG . SER B 2 202 ? 32.053 15.883 18.817 1.00 70.62 ? 199 SER B OG 1 ATOM 2642 N N . PRO C 3 1 ? 60.769 3.622 -42.874 1.00 77.48 ? 34 PRO C N 1 ATOM 2643 C CA . PRO C 3 1 ? 59.370 3.541 -42.408 1.00 77.76 ? 34 PRO C CA 1 ATOM 2644 C C . PRO C 3 1 ? 58.778 4.931 -42.158 1.00 77.79 ? 34 PRO C C 1 ATOM 2645 O O . PRO C 3 1 ? 59.501 5.873 -41.816 1.00 77.54 ? 34 PRO C O 1 ATOM 2646 C CB . PRO C 3 1 ? 59.425 2.729 -41.114 1.00 77.65 ? 34 PRO C CB 1 ATOM 2647 C CG . PRO C 3 1 ? 60.712 1.941 -41.262 1.00 77.64 ? 34 PRO C CG 1 ATOM 2648 C CD . PRO C 3 1 ? 61.668 2.880 -41.975 1.00 77.44 ? 34 PRO C CD 1 ATOM 2649 N N . LEU C 3 2 ? 57.465 5.047 -42.335 1.00 77.92 ? 35 LEU C N 1 ATOM 2650 C CA . LEU C 3 2 ? 56.760 6.333 -42.253 1.00 77.87 ? 35 LEU C CA 1 ATOM 2651 C C . LEU C 3 2 ? 55.925 6.491 -40.973 1.00 77.59 ? 35 LEU C C 1 ATOM 2652 O O . LEU C 3 2 ? 55.704 5.508 -40.258 1.00 77.95 ? 35 LEU C O 1 ATOM 2653 C CB . LEU C 3 2 ? 55.886 6.522 -43.507 1.00 77.78 ? 35 LEU C CB 1 ATOM 2654 C CG . LEU C 3 2 ? 55.317 5.271 -44.191 1.00 77.52 ? 35 LEU C CG 1 ATOM 2655 C CD1 . LEU C 3 2 ? 54.150 4.707 -43.392 1.00 77.85 ? 35 LEU C CD1 1 ATOM 2656 C CD2 . LEU C 3 2 ? 54.885 5.604 -45.616 1.00 77.35 ? 35 LEU C CD2 1 ATOM 2657 N N . PRO C 3 3 ? 55.459 7.729 -40.671 1.00 77.04 ? 36 PRO C N 1 ATOM 2658 C CA . PRO C 3 3 ? 54.664 7.963 -39.454 1.00 76.19 ? 36 PRO C CA 1 ATOM 2659 C C . PRO C 3 3 ? 53.370 7.151 -39.411 1.00 75.27 ? 36 PRO C C 1 ATOM 2660 O O . PRO C 3 3 ? 52.954 6.577 -40.421 1.00 75.06 ? 36 PRO C O 1 ATOM 2661 C CB . PRO C 3 3 ? 54.370 9.469 -39.509 1.00 76.27 ? 36 PRO C CB 1 ATOM 2662 C CG . PRO C 3 3 ? 55.489 10.032 -40.326 1.00 76.61 ? 36 PRO C CG 1 ATOM 2663 C CD . PRO C 3 3 ? 55.681 8.996 -41.401 1.00 76.92 ? 36 PRO C CD 1 ATOM 2664 N N . GLU C 3 4 ? 52.749 7.089 -38.238 1.00 74.19 ? 37 GLU C N 1 ATOM 2665 C CA . GLU C 3 4 ? 51.494 6.367 -38.102 1.00 73.16 ? 37 GLU C CA 1 ATOM 2666 C C . GLU C 3 4 ? 50.340 7.356 -38.056 1.00 71.67 ? 37 GLU C C 1 ATOM 2667 O O . GLU C 3 4 ? 50.414 8.391 -37.388 1.00 70.97 ? 37 GLU C O 1 ATOM 2668 C CB . GLU C 3 4 ? 51.495 5.470 -36.858 1.00 74.09 ? 37 GLU C CB 1 ATOM 2669 C CG . GLU C 3 4 ? 52.572 4.380 -36.877 1.00 75.38 ? 37 GLU C CG 1 ATOM 2670 C CD . GLU C 3 4 ? 52.209 3.177 -36.024 1.00 76.50 ? 37 GLU C CD 1 ATOM 2671 O OE1 . GLU C 3 4 ? 51.406 2.335 -36.488 1.00 76.78 ? 37 GLU C OE1 1 ATOM 2672 O OE2 . GLU C 3 4 ? 52.727 3.068 -34.892 1.00 77.07 ? 37 GLU C OE2 1 ATOM 2673 N N . VAL C 3 5 ? 49.285 7.030 -38.795 1.00 69.95 ? 38 VAL C N 1 ATOM 2674 C CA . VAL C 3 5 ? 48.104 7.872 -38.889 1.00 67.75 ? 38 VAL C CA 1 ATOM 2675 C C . VAL C 3 5 ? 47.284 7.778 -37.617 1.00 66.29 ? 38 VAL C C 1 ATOM 2676 O O . VAL C 3 5 ? 47.221 6.728 -36.973 1.00 66.12 ? 38 VAL C O 1 ATOM 2677 C CB . VAL C 3 5 ? 47.217 7.448 -40.068 1.00 67.75 ? 38 VAL C CB 1 ATOM 2678 C CG1 . VAL C 3 5 ? 46.035 8.400 -40.211 1.00 67.15 ? 38 VAL C CG1 1 ATOM 2679 C CG2 . VAL C 3 5 ? 48.037 7.396 -41.350 1.00 67.59 ? 38 VAL C CG2 1 ATOM 2680 N N . GLN C 3 6 ? 46.639 8.881 -37.268 1.00 64.25 ? 39 GLN C N 1 ATOM 2681 C CA . GLN C 3 6 ? 45.842 8.929 -36.065 1.00 61.70 ? 39 GLN C CA 1 ATOM 2682 C C . GLN C 3 6 ? 44.517 9.617 -36.352 1.00 59.48 ? 39 GLN C C 1 ATOM 2683 O O . GLN C 3 6 ? 44.389 10.830 -36.199 1.00 58.90 ? 39 GLN C O 1 ATOM 2684 C CB . GLN C 3 6 ? 46.625 9.671 -34.986 1.00 62.59 ? 39 GLN C CB 1 ATOM 2685 C CG . GLN C 3 6 ? 46.036 9.565 -33.598 1.00 64.62 ? 39 GLN C CG 1 ATOM 2686 C CD . GLN C 3 6 ? 46.983 10.069 -32.525 1.00 66.14 ? 39 GLN C CD 1 ATOM 2687 O OE1 . GLN C 3 6 ? 46.627 10.127 -31.347 1.00 66.84 ? 39 GLN C OE1 1 ATOM 2688 N NE2 . GLN C 3 6 ? 48.200 10.431 -32.926 1.00 66.52 ? 39 GLN C NE2 1 ATOM 2689 N N . CYS C 3 7 ? 43.533 8.837 -36.782 1.00 56.84 ? 40 CYS C N 1 ATOM 2690 C CA . CYS C 3 7 ? 42.216 9.383 -37.058 1.00 55.25 ? 40 CYS C CA 1 ATOM 2691 C C . CYS C 3 7 ? 41.416 9.615 -35.779 1.00 53.61 ? 40 CYS C C 1 ATOM 2692 O O . CYS C 3 7 ? 41.603 8.909 -34.790 1.00 53.20 ? 40 CYS C O 1 ATOM 2693 C CB . CYS C 3 7 ? 41.440 8.461 -37.990 1.00 55.19 ? 40 CYS C CB 1 ATOM 2694 S SG . CYS C 3 7 ? 42.142 8.287 -39.671 1.00 59.28 ? 40 CYS C SG 1 ATOM 2695 N N . PHE C 3 8 ? 40.538 10.619 -35.811 1.00 52.23 ? 41 PHE C N 1 ATOM 2696 C CA . PHE C 3 8 ? 39.641 10.938 -34.695 1.00 50.36 ? 41 PHE C CA 1 ATOM 2697 C C . PHE C 3 8 ? 38.343 11.560 -35.187 1.00 48.55 ? 41 PHE C C 1 ATOM 2698 O O . PHE C 3 8 ? 38.333 12.681 -35.694 1.00 48.91 ? 41 PHE C O 1 ATOM 2699 C CB . PHE C 3 8 ? 40.310 11.895 -33.706 1.00 51.46 ? 41 PHE C CB 1 ATOM 2700 C CG . PHE C 3 8 ? 41.205 11.214 -32.719 1.00 52.60 ? 41 PHE C CG 1 ATOM 2701 C CD1 . PHE C 3 8 ? 40.673 10.355 -31.757 1.00 53.73 ? 41 PHE C CD1 1 ATOM 2702 C CD2 . PHE C 3 8 ? 42.578 11.423 -32.751 1.00 52.77 ? 41 PHE C CD2 1 ATOM 2703 C CE1 . PHE C 3 8 ? 41.490 9.711 -30.837 1.00 53.59 ? 41 PHE C CE1 1 ATOM 2704 C CE2 . PHE C 3 8 ? 43.407 10.788 -31.836 1.00 54.04 ? 41 PHE C CE2 1 ATOM 2705 C CZ . PHE C 3 8 ? 42.860 9.927 -30.873 1.00 54.75 ? 41 PHE C CZ 1 ATOM 2706 N N . VAL C 3 9 ? 37.243 10.832 -35.025 1.00 45.90 ? 42 VAL C N 1 ATOM 2707 C CA . VAL C 3 9 ? 35.942 11.297 -35.486 1.00 42.98 ? 42 VAL C CA 1 ATOM 2708 C C . VAL C 3 9 ? 35.363 12.339 -34.531 1.00 42.43 ? 42 VAL C C 1 ATOM 2709 O O . VAL C 3 9 ? 35.205 12.077 -33.338 1.00 43.35 ? 42 VAL C O 1 ATOM 2710 C CB . VAL C 3 9 ? 34.979 10.121 -35.570 1.00 41.96 ? 42 VAL C CB 1 ATOM 2711 C CG1 . VAL C 3 9 ? 33.656 10.551 -36.191 1.00 41.36 ? 42 VAL C CG1 1 ATOM 2712 C CG2 . VAL C 3 9 ? 35.625 8.996 -36.364 1.00 41.45 ? 42 VAL C CG2 1 ATOM 2713 N N . PHE C 3 10 ? 35.034 13.517 -35.045 1.00 40.72 ? 43 PHE C N 1 ATOM 2714 C CA . PHE C 3 10 ? 34.481 14.546 -34.180 1.00 39.47 ? 43 PHE C CA 1 ATOM 2715 C C . PHE C 3 10 ? 32.973 14.696 -34.242 1.00 38.72 ? 43 PHE C C 1 ATOM 2716 O O . PHE C 3 10 ? 32.406 15.167 -35.228 1.00 37.95 ? 43 PHE C O 1 ATOM 2717 C CB . PHE C 3 10 ? 35.177 15.883 -34.433 1.00 39.77 ? 43 PHE C CB 1 ATOM 2718 C CG . PHE C 3 10 ? 36.582 15.915 -33.926 1.00 39.54 ? 43 PHE C CG 1 ATOM 2719 C CD1 . PHE C 3 10 ? 36.837 16.101 -32.571 1.00 38.94 ? 43 PHE C CD1 1 ATOM 2720 C CD2 . PHE C 3 10 ? 37.651 15.705 -34.794 1.00 38.58 ? 43 PHE C CD2 1 ATOM 2721 C CE1 . PHE C 3 10 ? 38.139 16.083 -32.089 1.00 39.18 ? 43 PHE C CE1 1 ATOM 2722 C CE2 . PHE C 3 10 ? 38.957 15.687 -34.323 1.00 37.59 ? 43 PHE C CE2 1 ATOM 2723 C CZ . PHE C 3 10 ? 39.205 15.875 -32.969 1.00 38.02 ? 43 PHE C CZ 1 ATOM 2724 N N . ASN C 3 11 ? 32.333 14.287 -33.157 1.00 37.97 ? 44 ASN C N 1 ATOM 2725 C CA . ASN C 3 11 ? 30.891 14.385 -33.018 1.00 37.15 ? 44 ASN C CA 1 ATOM 2726 C C . ASN C 3 11 ? 30.166 13.729 -34.183 1.00 37.08 ? 44 ASN C C 1 ATOM 2727 O O . ASN C 3 11 ? 29.008 14.038 -34.470 1.00 35.84 ? 44 ASN C O 1 ATOM 2728 C CB . ASN C 3 11 ? 30.487 15.844 -32.894 1.00 36.71 ? 44 ASN C CB 1 ATOM 2729 C CG . ASN C 3 11 ? 29.272 16.026 -32.027 1.00 36.79 ? 44 ASN C CG 1 ATOM 2730 O OD1 . ASN C 3 11 ? 28.156 16.137 -32.526 1.00 36.87 ? 44 ASN C OD1 1 ATOM 2731 N ND2 . ASN C 3 11 ? 29.478 16.046 -30.717 1.00 35.35 ? 44 ASN C ND2 1 ATOM 2732 N N . VAL C 3 12 ? 30.865 12.806 -34.840 1.00 37.89 ? 45 VAL C N 1 ATOM 2733 C CA . VAL C 3 12 ? 30.340 12.113 -36.003 1.00 38.91 ? 45 VAL C CA 1 ATOM 2734 C C . VAL C 3 12 ? 29.814 13.107 -37.035 1.00 39.91 ? 45 VAL C C 1 ATOM 2735 O O . VAL C 3 12 ? 28.780 12.883 -37.669 1.00 40.52 ? 45 VAL C O 1 ATOM 2736 C CB . VAL C 3 12 ? 29.234 11.127 -35.604 1.00 38.46 ? 45 VAL C CB 1 ATOM 2737 C CG1 . VAL C 3 12 ? 28.914 10.180 -36.764 1.00 37.34 ? 45 VAL C CG1 1 ATOM 2738 C CG2 . VAL C 3 12 ? 29.682 10.340 -34.390 1.00 39.63 ? 45 VAL C CG2 1 ATOM 2739 N N . GLU C 3 13 ? 30.528 14.217 -37.180 1.00 40.48 ? 46 GLU C N 1 ATOM 2740 C CA . GLU C 3 13 ? 30.199 15.211 -38.180 1.00 41.25 ? 46 GLU C CA 1 ATOM 2741 C C . GLU C 3 13 ? 31.296 15.109 -39.224 1.00 41.78 ? 46 GLU C C 1 ATOM 2742 O O . GLU C 3 13 ? 31.012 14.902 -40.404 1.00 42.53 ? 46 GLU C O 1 ATOM 2743 C CB . GLU C 3 13 ? 30.147 16.613 -37.572 1.00 42.13 ? 46 GLU C CB 1 ATOM 2744 C CG . GLU C 3 13 ? 28.905 16.877 -36.716 1.00 43.46 ? 46 GLU C CG 1 ATOM 2745 C CD . GLU C 3 13 ? 29.037 18.148 -35.884 1.00 44.68 ? 46 GLU C CD 1 ATOM 2746 O OE1 . GLU C 3 13 ? 30.009 18.915 -36.095 1.00 45.39 ? 46 GLU C OE1 1 ATOM 2747 O OE2 . GLU C 3 13 ? 28.168 18.377 -35.015 1.00 44.22 ? 46 GLU C OE2 1 ATOM 2748 N N . TYR C 3 14 ? 32.547 15.235 -38.786 1.00 41.56 ? 47 TYR C N 1 ATOM 2749 C CA . TYR C 3 14 ? 33.697 15.103 -39.677 1.00 41.82 ? 47 TYR C CA 1 ATOM 2750 C C . TYR C 3 14 ? 34.857 14.442 -38.933 1.00 43.57 ? 47 TYR C C 1 ATOM 2751 O O . TYR C 3 14 ? 34.958 14.552 -37.702 1.00 44.34 ? 47 TYR C O 1 ATOM 2752 C CB . TYR C 3 14 ? 34.127 16.469 -40.220 1.00 40.01 ? 47 TYR C CB 1 ATOM 2753 C CG . TYR C 3 14 ? 34.798 17.369 -39.203 1.00 38.64 ? 47 TYR C CG 1 ATOM 2754 C CD1 . TYR C 3 14 ? 34.046 18.186 -38.352 1.00 36.84 ? 47 TYR C CD1 1 ATOM 2755 C CD2 . TYR C 3 14 ? 36.191 17.389 -39.078 1.00 37.22 ? 47 TYR C CD2 1 ATOM 2756 C CE1 . TYR C 3 14 ? 34.666 18.994 -37.397 1.00 35.41 ? 47 TYR C CE1 1 ATOM 2757 C CE2 . TYR C 3 14 ? 36.820 18.195 -38.129 1.00 35.83 ? 47 TYR C CE2 1 ATOM 2758 C CZ . TYR C 3 14 ? 36.055 18.992 -37.294 1.00 35.57 ? 47 TYR C CZ 1 ATOM 2759 O OH . TYR C 3 14 ? 36.688 19.773 -36.353 1.00 36.14 ? 47 TYR C OH 1 ATOM 2760 N N . MET C 3 15 ? 35.727 13.759 -39.679 1.00 44.85 ? 48 MET C N 1 ATOM 2761 C CA . MET C 3 15 ? 36.887 13.082 -39.104 1.00 45.89 ? 48 MET C CA 1 ATOM 2762 C C . MET C 3 15 ? 38.198 13.771 -39.482 1.00 46.78 ? 48 MET C C 1 ATOM 2763 O O . MET C 3 15 ? 38.317 14.329 -40.568 1.00 47.53 ? 48 MET C O 1 ATOM 2764 C CB . MET C 3 15 ? 36.924 11.628 -39.562 1.00 45.89 ? 48 MET C CB 1 ATOM 2765 C CG . MET C 3 15 ? 38.177 10.881 -39.120 1.00 47.07 ? 48 MET C CG 1 ATOM 2766 S SD . MET C 3 15 ? 38.227 9.171 -39.695 1.00 48.45 ? 48 MET C SD 1 ATOM 2767 C CE . MET C 3 15 ? 38.172 9.423 -41.460 1.00 49.03 ? 48 MET C CE 1 ATOM 2768 N N . ASN C 3 16 ? 39.180 13.717 -38.585 1.00 48.08 ? 49 ASN C N 1 ATOM 2769 C CA . ASN C 3 16 ? 40.503 14.298 -38.817 1.00 48.80 ? 49 ASN C CA 1 ATOM 2770 C C . ASN C 3 16 ? 41.556 13.208 -38.663 1.00 49.39 ? 49 ASN C C 1 ATOM 2771 O O . ASN C 3 16 ? 41.602 12.537 -37.632 1.00 49.61 ? 49 ASN C O 1 ATOM 2772 C CB . ASN C 3 16 ? 40.779 15.391 -37.779 1.00 49.38 ? 49 ASN C CB 1 ATOM 2773 C CG . ASN C 3 16 ? 40.644 16.795 -38.336 1.00 50.57 ? 49 ASN C CG 1 ATOM 2774 O OD1 . ASN C 3 16 ? 39.859 17.037 -39.258 1.00 51.08 ? 49 ASN C OD1 1 ATOM 2775 N ND2 . ASN C 3 16 ? 41.416 17.734 -37.755 1.00 52.59 ? 49 ASN C ND2 1 ATOM 2776 N N . CYS C 3 17 ? 42.392 13.027 -39.679 1.00 50.52 ? 50 CYS C N 1 ATOM 2777 C CA . CYS C 3 17 ? 43.472 12.044 -39.631 1.00 52.49 ? 50 CYS C CA 1 ATOM 2778 C C . CYS C 3 17 ? 44.805 12.760 -39.878 1.00 53.87 ? 50 CYS C C 1 ATOM 2779 O O . CYS C 3 17 ? 45.071 13.197 -40.998 1.00 53.79 ? 50 CYS C O 1 ATOM 2780 C CB . CYS C 3 17 ? 43.273 10.968 -40.704 1.00 53.07 ? 50 CYS C CB 1 ATOM 2781 S SG . CYS C 3 17 ? 41.710 10.022 -40.680 1.00 55.64 ? 50 CYS C SG 1 ATOM 2782 N N . THR C 3 18 ? 45.646 12.863 -38.849 1.00 55.97 ? 51 THR C N 1 ATOM 2783 C CA . THR C 3 18 ? 46.919 13.588 -38.967 1.00 58.26 ? 51 THR C CA 1 ATOM 2784 C C . THR C 3 18 ? 48.181 12.759 -38.691 1.00 60.49 ? 51 THR C C 1 ATOM 2785 O O . THR C 3 18 ? 48.096 11.575 -38.347 1.00 60.46 ? 51 THR C O 1 ATOM 2786 C CB . THR C 3 18 ? 46.941 14.828 -38.043 1.00 57.67 ? 51 THR C CB 1 ATOM 2787 O OG1 . THR C 3 18 ? 46.400 14.481 -36.765 1.00 56.29 ? 51 THR C OG1 1 ATOM 2788 C CG2 . THR C 3 18 ? 46.117 15.952 -38.628 1.00 58.22 ? 51 THR C CG2 1 ATOM 2789 N N . TRP C 3 19 ? 49.341 13.407 -38.848 1.00 63.14 ? 52 TRP C N 1 ATOM 2790 C CA . TRP C 3 19 ? 50.662 12.804 -38.614 1.00 65.78 ? 52 TRP C CA 1 ATOM 2791 C C . TRP C 3 19 ? 51.762 13.887 -38.511 1.00 67.45 ? 52 TRP C C 1 ATOM 2792 O O . TRP C 3 19 ? 51.658 14.933 -39.152 1.00 67.81 ? 52 TRP C O 1 ATOM 2793 C CB . TRP C 3 19 ? 50.991 11.811 -39.738 1.00 65.98 ? 52 TRP C CB 1 ATOM 2794 C CG . TRP C 3 19 ? 51.046 12.429 -41.114 1.00 67.13 ? 52 TRP C CG 1 ATOM 2795 C CD1 . TRP C 3 19 ? 52.082 13.139 -41.651 1.00 67.71 ? 52 TRP C CD1 1 ATOM 2796 C CD2 . TRP C 3 19 ? 50.023 12.387 -42.125 1.00 67.65 ? 52 TRP C CD2 1 ATOM 2797 N NE1 . TRP C 3 19 ? 51.770 13.541 -42.929 1.00 68.17 ? 52 TRP C NE1 1 ATOM 2798 C CE2 . TRP C 3 19 ? 50.514 13.094 -43.245 1.00 67.29 ? 52 TRP C CE2 1 ATOM 2799 C CE3 . TRP C 3 19 ? 48.740 11.823 -42.192 1.00 67.99 ? 52 TRP C CE3 1 ATOM 2800 C CZ2 . TRP C 3 19 ? 49.771 13.247 -44.419 1.00 66.59 ? 52 TRP C CZ2 1 ATOM 2801 C CZ3 . TRP C 3 19 ? 48.000 11.980 -43.366 1.00 67.28 ? 52 TRP C CZ3 1 ATOM 2802 C CH2 . TRP C 3 19 ? 48.524 12.683 -44.462 1.00 66.20 ? 52 TRP C CH2 1 ATOM 2803 N N . GLN C 3 20 ? 52.804 13.635 -37.709 1.00 69.59 ? 53 GLN C N 1 ATOM 2804 C CA . GLN C 3 20 ? 53.912 14.598 -37.521 1.00 71.33 ? 53 GLN C CA 1 ATOM 2805 C C . GLN C 3 20 ? 54.914 14.581 -38.680 1.00 72.46 ? 53 GLN C C 1 ATOM 2806 O O . GLN C 3 20 ? 55.580 13.571 -38.942 1.00 72.47 ? 53 GLN C O 1 ATOM 2807 C CB . GLN C 3 20 ? 54.639 14.364 -36.179 1.00 71.29 ? 53 GLN C CB 1 ATOM 2808 C CG . GLN C 3 20 ? 56.007 15.078 -36.029 1.00 71.26 ? 53 GLN C CG 1 ATOM 2809 C CD . GLN C 3 20 ? 55.926 16.472 -35.403 1.00 71.35 ? 53 GLN C CD 1 ATOM 2810 O OE1 . GLN C 3 20 ? 55.530 16.627 -34.249 1.00 71.76 ? 53 GLN C OE1 1 ATOM 2811 N NE2 . GLN C 3 20 ? 56.327 17.486 -36.163 1.00 70.99 ? 53 GLN C NE2 1 ATOM 2812 N N . SER C 3 21 ? 55.015 15.728 -39.349 1.00 73.45 ? 54 SER C N 1 ATOM 2813 C CA . SER C 3 21 ? 55.852 15.899 -40.534 1.00 74.42 ? 54 SER C CA 1 ATOM 2814 C C . SER C 3 21 ? 57.359 15.985 -40.261 1.00 74.86 ? 54 SER C C 1 ATOM 2815 O O . SER C 3 21 ? 58.165 15.714 -41.153 1.00 74.91 ? 54 SER C O 1 ATOM 2816 C CB . SER C 3 21 ? 55.388 17.141 -41.307 1.00 74.61 ? 54 SER C CB 1 ATOM 2817 O OG . SER C 3 21 ? 56.227 17.399 -42.422 1.00 75.25 ? 54 SER C OG 1 ATOM 2818 N N . SER C 3 22 ? 57.737 16.350 -39.037 1.00 75.38 ? 55 SER C N 1 ATOM 2819 C CA . SER C 3 22 ? 59.153 16.500 -38.673 1.00 75.82 ? 55 SER C CA 1 ATOM 2820 C C . SER C 3 22 ? 59.883 15.171 -38.417 1.00 75.92 ? 55 SER C C 1 ATOM 2821 O O . SER C 3 22 ? 60.914 15.143 -37.737 1.00 75.88 ? 55 SER C O 1 ATOM 2822 C CB . SER C 3 22 ? 59.303 17.429 -37.455 1.00 76.05 ? 55 SER C CB 1 ATOM 2823 O OG . SER C 3 22 ? 58.784 16.834 -36.273 1.00 76.85 ? 55 SER C OG 1 ATOM 2824 N N . SER C 3 23 ? 59.357 14.079 -38.971 1.00 76.07 ? 56 SER C N 1 ATOM 2825 C CA . SER C 3 23 ? 59.966 12.758 -38.810 1.00 76.32 ? 56 SER C CA 1 ATOM 2826 C C . SER C 3 23 ? 60.555 12.203 -40.116 1.00 76.41 ? 56 SER C C 1 ATOM 2827 O O . SER C 3 23 ? 61.085 11.090 -40.138 1.00 76.15 ? 56 SER C O 1 ATOM 2828 C CB . SER C 3 23 ? 58.942 11.771 -38.234 1.00 76.76 ? 56 SER C CB 1 ATOM 2829 O OG . SER C 3 23 ? 58.468 12.197 -36.965 1.00 77.14 ? 56 SER C OG 1 ATOM 2830 N N . GLU C 3 24 ? 60.471 12.984 -41.194 1.00 76.76 ? 57 GLU C N 1 ATOM 2831 C CA . GLU C 3 24 ? 60.969 12.558 -42.509 1.00 77.46 ? 57 GLU C CA 1 ATOM 2832 C C . GLU C 3 24 ? 62.361 13.108 -42.851 1.00 78.20 ? 57 GLU C C 1 ATOM 2833 O O . GLU C 3 24 ? 62.676 14.251 -42.508 1.00 77.90 ? 57 GLU C O 1 ATOM 2834 C CB . GLU C 3 24 ? 59.971 12.951 -43.604 1.00 76.68 ? 57 GLU C CB 1 ATOM 2835 C CG . GLU C 3 24 ? 58.707 12.098 -43.616 1.00 77.08 ? 57 GLU C CG 1 ATOM 2836 C CD . GLU C 3 24 ? 59.004 10.621 -43.826 1.00 77.08 ? 57 GLU C CD 1 ATOM 2837 O OE1 . GLU C 3 24 ? 59.739 10.297 -44.784 1.00 77.11 ? 57 GLU C OE1 1 ATOM 2838 O OE2 . GLU C 3 24 ? 58.505 9.784 -43.038 1.00 77.08 ? 57 GLU C OE2 1 ATOM 2839 N N . PRO C 3 25 ? 63.204 12.292 -43.528 1.00 79.02 ? 58 PRO C N 1 ATOM 2840 C CA . PRO C 3 25 ? 64.562 12.696 -43.930 1.00 79.54 ? 58 PRO C CA 1 ATOM 2841 C C . PRO C 3 25 ? 64.582 13.817 -44.977 1.00 80.20 ? 58 PRO C C 1 ATOM 2842 O O . PRO C 3 25 ? 65.650 14.322 -45.336 1.00 80.22 ? 58 PRO C O 1 ATOM 2843 C CB . PRO C 3 25 ? 65.154 11.401 -44.504 1.00 79.26 ? 58 PRO C CB 1 ATOM 2844 C CG . PRO C 3 25 ? 63.955 10.620 -44.965 1.00 78.99 ? 58 PRO C CG 1 ATOM 2845 C CD . PRO C 3 25 ? 62.950 10.879 -43.873 1.00 79.13 ? 58 PRO C CD 1 ATOM 2846 N N . GLN C 3 26 ? 63.397 14.208 -45.440 1.00 80.85 ? 59 GLN C N 1 ATOM 2847 C CA . GLN C 3 26 ? 63.255 15.209 -46.491 1.00 81.37 ? 59 GLN C CA 1 ATOM 2848 C C . GLN C 3 26 ? 61.787 15.660 -46.561 1.00 81.30 ? 59 GLN C C 1 ATOM 2849 O O . GLN C 3 26 ? 60.897 14.921 -46.123 1.00 81.54 ? 59 GLN C O 1 ATOM 2850 C CB . GLN C 3 26 ? 63.715 14.587 -47.820 1.00 81.63 ? 59 GLN C CB 1 ATOM 2851 C CG . GLN C 3 26 ? 63.602 15.461 -49.051 1.00 82.87 ? 59 GLN C CG 1 ATOM 2852 C CD . GLN C 3 26 ? 64.588 15.048 -50.147 1.00 83.95 ? 59 GLN C CD 1 ATOM 2853 O OE1 . GLN C 3 26 ? 65.810 15.180 -49.989 1.00 84.26 ? 59 GLN C OE1 1 ATOM 2854 N NE2 . GLN C 3 26 ? 64.062 14.547 -51.269 1.00 84.24 ? 59 GLN C NE2 1 ATOM 2855 N N . PRO C 3 27 ? 61.521 16.887 -47.079 1.00 81.15 ? 60 PRO C N 1 ATOM 2856 C CA . PRO C 3 27 ? 60.128 17.322 -47.246 1.00 80.74 ? 60 PRO C CA 1 ATOM 2857 C C . PRO C 3 27 ? 59.408 16.539 -48.339 1.00 80.41 ? 60 PRO C C 1 ATOM 2858 O O . PRO C 3 27 ? 60.014 16.172 -49.349 1.00 80.16 ? 60 PRO C O 1 ATOM 2859 C CB . PRO C 3 27 ? 60.261 18.799 -47.630 1.00 80.72 ? 60 PRO C CB 1 ATOM 2860 C CG . PRO C 3 27 ? 61.581 19.204 -47.067 1.00 80.87 ? 60 PRO C CG 1 ATOM 2861 C CD . PRO C 3 27 ? 62.454 18.004 -47.318 1.00 80.98 ? 60 PRO C CD 1 ATOM 2862 N N . THR C 3 28 ? 58.119 16.291 -48.130 1.00 80.01 ? 61 THR C N 1 ATOM 2863 C CA . THR C 3 28 ? 57.329 15.501 -49.065 1.00 79.90 ? 61 THR C CA 1 ATOM 2864 C C . THR C 3 28 ? 55.830 15.671 -48.857 1.00 79.74 ? 61 THR C C 1 ATOM 2865 O O . THR C 3 28 ? 55.394 16.270 -47.874 1.00 79.92 ? 61 THR C O 1 ATOM 2866 C CB . THR C 3 28 ? 57.674 14.000 -48.961 1.00 80.03 ? 61 THR C CB 1 ATOM 2867 O OG1 . THR C 3 28 ? 56.766 13.241 -49.769 1.00 80.24 ? 61 THR C OG1 1 ATOM 2868 C CG2 . THR C 3 28 ? 57.588 13.520 -47.511 1.00 79.69 ? 61 THR C CG2 1 ATOM 2869 N N . ASN C 3 29 ? 55.050 15.144 -49.797 1.00 79.46 ? 62 ASN C N 1 ATOM 2870 C CA . ASN C 3 29 ? 53.599 15.132 -49.679 1.00 79.01 ? 62 ASN C CA 1 ATOM 2871 C C . ASN C 3 29 ? 53.099 13.695 -49.711 1.00 78.63 ? 62 ASN C C 1 ATOM 2872 O O . ASN C 3 29 ? 52.881 13.125 -50.785 1.00 78.74 ? 62 ASN C O 1 ATOM 2873 C CB . ASN C 3 29 ? 52.942 15.937 -50.808 1.00 79.17 ? 62 ASN C CB 1 ATOM 2874 C CG . ASN C 3 29 ? 53.301 17.413 -50.764 1.00 79.94 ? 62 ASN C CG 1 ATOM 2875 O OD1 . ASN C 3 29 ? 53.477 17.992 -49.680 1.00 79.40 ? 62 ASN C OD1 1 ATOM 2876 N ND2 . ASN C 3 29 ? 53.399 18.033 -51.949 1.00 81.01 ? 62 ASN C ND2 1 ATOM 2877 N N . LEU C 3 30 ? 52.937 13.109 -48.528 1.00 77.64 ? 63 LEU C N 1 ATOM 2878 C CA . LEU C 3 30 ? 52.394 11.762 -48.406 1.00 76.51 ? 63 LEU C CA 1 ATOM 2879 C C . LEU C 3 30 ? 50.917 11.795 -48.779 1.00 75.80 ? 63 LEU C C 1 ATOM 2880 O O . LEU C 3 30 ? 50.179 12.674 -48.323 1.00 75.46 ? 63 LEU C O 1 ATOM 2881 C CB . LEU C 3 30 ? 52.566 11.247 -46.974 1.00 76.41 ? 63 LEU C CB 1 ATOM 2882 C CG . LEU C 3 30 ? 53.998 11.032 -46.471 1.00 75.68 ? 63 LEU C CG 1 ATOM 2883 C CD1 . LEU C 3 30 ? 54.047 11.133 -44.956 1.00 74.77 ? 63 LEU C CD1 1 ATOM 2884 C CD2 . LEU C 3 30 ? 54.530 9.689 -46.949 1.00 75.24 ? 63 LEU C CD2 1 ATOM 2885 N N . THR C 3 31 ? 50.494 10.852 -49.621 1.00 75.50 ? 64 THR C N 1 ATOM 2886 C CA . THR C 3 31 ? 49.098 10.792 -50.054 1.00 75.29 ? 64 THR C CA 1 ATOM 2887 C C . THR C 3 31 ? 48.312 9.826 -49.170 1.00 74.62 ? 64 THR C C 1 ATOM 2888 O O . THR C 3 31 ? 48.865 8.843 -48.665 1.00 75.04 ? 64 THR C O 1 ATOM 2889 C CB . THR C 3 31 ? 48.969 10.334 -51.528 1.00 75.50 ? 64 THR C CB 1 ATOM 2890 O OG1 . THR C 3 31 ? 49.544 9.030 -51.674 1.00 76.37 ? 64 THR C OG1 1 ATOM 2891 C CG2 . THR C 3 31 ? 49.682 11.300 -52.465 1.00 75.24 ? 64 THR C CG2 1 ATOM 2892 N N . LEU C 3 32 ? 47.023 10.101 -48.986 1.00 73.14 ? 65 LEU C N 1 ATOM 2893 C CA . LEU C 3 32 ? 46.192 9.244 -48.152 1.00 71.33 ? 65 LEU C CA 1 ATOM 2894 C C . LEU C 3 32 ? 45.062 8.607 -48.945 1.00 70.26 ? 65 LEU C C 1 ATOM 2895 O O . LEU C 3 32 ? 44.332 9.286 -49.667 1.00 69.88 ? 65 LEU C O 1 ATOM 2896 C CB . LEU C 3 32 ? 45.633 10.034 -46.971 1.00 70.82 ? 65 LEU C CB 1 ATOM 2897 C CG . LEU C 3 32 ? 45.057 9.205 -45.825 1.00 70.09 ? 65 LEU C CG 1 ATOM 2898 C CD1 . LEU C 3 32 ? 45.180 9.983 -44.521 1.00 69.94 ? 65 LEU C CD1 1 ATOM 2899 C CD2 . LEU C 3 32 ? 43.614 8.801 -46.113 1.00 69.36 ? 65 LEU C CD2 1 ATOM 2900 N N . HIS C 3 33 ? 44.936 7.293 -48.797 1.00 69.47 ? 66 HIS C N 1 ATOM 2901 C CA . HIS C 3 33 ? 43.904 6.518 -49.473 1.00 69.07 ? 66 HIS C CA 1 ATOM 2902 C C . HIS C 3 33 ? 43.148 5.718 -48.438 1.00 68.13 ? 66 HIS C C 1 ATOM 2903 O O . HIS C 3 33 ? 43.749 5.111 -47.557 1.00 68.10 ? 66 HIS C O 1 ATOM 2904 C CB . HIS C 3 33 ? 44.532 5.550 -50.473 1.00 69.93 ? 66 HIS C CB 1 ATOM 2905 C CG . HIS C 3 33 ? 45.492 6.199 -51.416 1.00 70.81 ? 66 HIS C CG 1 ATOM 2906 N ND1 . HIS C 3 33 ? 45.073 6.924 -52.520 1.00 71.32 ? 66 HIS C ND1 1 ATOM 2907 C CD2 . HIS C 3 33 ? 46.850 6.246 -51.413 1.00 71.18 ? 66 HIS C CD2 1 ATOM 2908 C CE1 . HIS C 3 33 ? 46.133 7.388 -53.158 1.00 71.71 ? 66 HIS C CE1 1 ATOM 2909 N NE2 . HIS C 3 33 ? 47.224 6.990 -52.507 1.00 72.14 ? 66 HIS C NE2 1 ATOM 2910 N N . TYR C 3 34 ? 41.828 5.700 -48.542 1.00 67.00 ? 67 TYR C N 1 ATOM 2911 C CA . TYR C 3 34 ? 41.044 4.964 -47.568 1.00 66.24 ? 67 TYR C CA 1 ATOM 2912 C C . TYR C 3 34 ? 39.963 4.116 -48.228 1.00 66.51 ? 67 TYR C C 1 ATOM 2913 O O . TYR C 3 34 ? 39.520 4.410 -49.340 1.00 66.59 ? 67 TYR C O 1 ATOM 2914 C CB . TYR C 3 34 ? 40.427 5.926 -46.547 1.00 64.99 ? 67 TYR C CB 1 ATOM 2915 C CG . TYR C 3 34 ? 39.340 6.807 -47.120 1.00 62.86 ? 67 TYR C CG 1 ATOM 2916 C CD1 . TYR C 3 34 ? 39.625 8.080 -47.619 1.00 59.92 ? 67 TYR C CD1 1 ATOM 2917 C CD2 . TYR C 3 34 ? 38.017 6.356 -47.171 1.00 61.17 ? 67 TYR C CD2 1 ATOM 2918 C CE1 . TYR C 3 34 ? 38.617 8.877 -48.150 1.00 58.88 ? 67 TYR C CE1 1 ATOM 2919 C CE2 . TYR C 3 34 ? 37.009 7.142 -47.698 1.00 59.51 ? 67 TYR C CE2 1 ATOM 2920 C CZ . TYR C 3 34 ? 37.313 8.395 -48.185 1.00 58.56 ? 67 TYR C CZ 1 ATOM 2921 O OH . TYR C 3 34 ? 36.296 9.152 -48.701 1.00 58.16 ? 67 TYR C OH 1 ATOM 2922 N N . TRP C 3 35 ? 39.552 3.062 -47.527 1.00 66.99 ? 68 TRP C N 1 ATOM 2923 C CA . TRP C 3 35 ? 38.504 2.162 -47.997 1.00 67.27 ? 68 TRP C CA 1 ATOM 2924 C C . TRP C 3 35 ? 37.980 1.306 -46.843 1.00 67.98 ? 68 TRP C C 1 ATOM 2925 O O . TRP C 3 35 ? 38.700 1.060 -45.873 1.00 67.73 ? 68 TRP C O 1 ATOM 2926 C CB . TRP C 3 35 ? 39.038 1.263 -49.114 1.00 66.59 ? 68 TRP C CB 1 ATOM 2927 C CG . TRP C 3 35 ? 40.125 0.351 -48.664 1.00 65.76 ? 68 TRP C CG 1 ATOM 2928 C CD1 . TRP C 3 35 ? 39.978 -0.881 -48.102 1.00 64.99 ? 68 TRP C CD1 1 ATOM 2929 C CD2 . TRP C 3 35 ? 41.534 0.609 -48.708 1.00 65.79 ? 68 TRP C CD2 1 ATOM 2930 N NE1 . TRP C 3 35 ? 41.206 -1.411 -47.795 1.00 65.17 ? 68 TRP C NE1 1 ATOM 2931 C CE2 . TRP C 3 35 ? 42.180 -0.517 -48.155 1.00 65.28 ? 68 TRP C CE2 1 ATOM 2932 C CE3 . TRP C 3 35 ? 42.314 1.682 -49.160 1.00 66.25 ? 68 TRP C CE3 1 ATOM 2933 C CZ2 . TRP C 3 35 ? 43.572 -0.603 -48.044 1.00 65.05 ? 68 TRP C CZ2 1 ATOM 2934 C CZ3 . TRP C 3 35 ? 43.700 1.596 -49.047 1.00 65.46 ? 68 TRP C CZ3 1 ATOM 2935 C CH2 . TRP C 3 35 ? 44.312 0.461 -48.492 1.00 65.00 ? 68 TRP C CH2 1 ATOM 2936 N N . TYR C 3 36 ? 36.731 0.858 -46.958 1.00 69.10 ? 69 TYR C N 1 ATOM 2937 C CA . TYR C 3 36 ? 36.102 0.016 -45.941 1.00 70.62 ? 69 TYR C CA 1 ATOM 2938 C C . TYR C 3 36 ? 36.161 -1.461 -46.305 1.00 72.65 ? 69 TYR C C 1 ATOM 2939 O O . TYR C 3 36 ? 35.870 -1.848 -47.449 1.00 73.04 ? 69 TYR C O 1 ATOM 2940 C CB . TYR C 3 36 ? 34.651 0.441 -45.720 1.00 69.41 ? 69 TYR C CB 1 ATOM 2941 C CG . TYR C 3 36 ? 34.531 1.794 -45.069 1.00 68.59 ? 69 TYR C CG 1 ATOM 2942 C CD1 . TYR C 3 36 ? 34.395 2.946 -45.838 1.00 68.14 ? 69 TYR C CD1 1 ATOM 2943 C CD2 . TYR C 3 36 ? 34.586 1.928 -43.683 1.00 68.14 ? 69 TYR C CD2 1 ATOM 2944 C CE1 . TYR C 3 36 ? 34.316 4.204 -45.243 1.00 67.68 ? 69 TYR C CE1 1 ATOM 2945 C CE2 . TYR C 3 36 ? 34.508 3.179 -43.078 1.00 67.79 ? 69 TYR C CE2 1 ATOM 2946 C CZ . TYR C 3 36 ? 34.373 4.315 -43.862 1.00 67.36 ? 69 TYR C CZ 1 ATOM 2947 O OH . TYR C 3 36 ? 34.290 5.557 -43.268 1.00 65.75 ? 69 TYR C OH 1 ATOM 2948 N N . LYS C 3 37 ? 36.521 -2.280 -45.312 1.00 74.93 ? 70 LYS C N 1 ATOM 2949 C CA . LYS C 3 37 ? 36.720 -3.711 -45.515 1.00 77.43 ? 70 LYS C CA 1 ATOM 2950 C C . LYS C 3 37 ? 35.437 -4.551 -45.497 1.00 79.39 ? 70 LYS C C 1 ATOM 2951 O O . LYS C 3 37 ? 34.497 -4.266 -44.752 1.00 79.42 ? 70 LYS C O 1 ATOM 2952 C CB . LYS C 3 37 ? 37.724 -4.225 -44.476 1.00 77.12 ? 70 LYS C CB 1 ATOM 2953 C CG . LYS C 3 37 ? 38.084 -5.701 -44.562 1.00 77.87 ? 70 LYS C CG 1 ATOM 2954 C CD . LYS C 3 37 ? 38.972 -6.024 -45.765 1.00 77.99 ? 70 LYS C CD 1 ATOM 2955 C CE . LYS C 3 37 ? 39.400 -7.494 -45.728 1.00 78.07 ? 70 LYS C CE 1 ATOM 2956 N NZ . LYS C 3 37 ? 40.255 -7.915 -46.876 1.00 76.64 ? 70 LYS C NZ 1 ATOM 2957 N N . ASN C 3 38 ? 35.421 -5.582 -46.343 1.00 82.09 ? 71 ASN C N 1 ATOM 2958 C CA . ASN C 3 38 ? 34.333 -6.569 -46.433 1.00 84.56 ? 71 ASN C CA 1 ATOM 2959 C C . ASN C 3 38 ? 32.901 -6.055 -46.267 1.00 85.96 ? 71 ASN C C 1 ATOM 2960 O O . ASN C 3 38 ? 32.080 -6.687 -45.597 1.00 86.36 ? 71 ASN C O 1 ATOM 2961 C CB . ASN C 3 38 ? 34.580 -7.725 -45.453 1.00 84.72 ? 71 ASN C CB 1 ATOM 2962 C CG . ASN C 3 38 ? 35.851 -8.500 -45.769 1.00 85.29 ? 71 ASN C CG 1 ATOM 2963 O OD1 . ASN C 3 38 ? 36.099 -8.873 -46.920 1.00 85.67 ? 71 ASN C OD1 1 ATOM 2964 N ND2 . ASN C 3 38 ? 36.659 -8.756 -44.740 1.00 85.36 ? 71 ASN C ND2 1 ATOM 2965 N N . SER C 3 39 ? 32.604 -4.915 -46.886 1.00 87.41 ? 72 SER C N 1 ATOM 2966 C CA . SER C 3 39 ? 31.256 -4.354 -46.855 1.00 88.48 ? 72 SER C CA 1 ATOM 2967 C C . SER C 3 39 ? 30.935 -3.782 -48.225 1.00 89.20 ? 72 SER C C 1 ATOM 2968 O O . SER C 3 39 ? 31.736 -3.891 -49.154 1.00 89.38 ? 72 SER C O 1 ATOM 2969 C CB . SER C 3 39 ? 31.156 -3.239 -45.816 1.00 88.35 ? 72 SER C CB 1 ATOM 2970 O OG . SER C 3 39 ? 31.796 -2.061 -46.279 1.00 88.27 ? 72 SER C OG 1 ATOM 2971 N N . ASP C 3 40 ? 29.761 -3.174 -48.347 1.00 90.15 ? 73 ASP C N 1 ATOM 2972 C CA . ASP C 3 40 ? 29.397 -2.492 -49.577 1.00 91.20 ? 73 ASP C CA 1 ATOM 2973 C C . ASP C 3 40 ? 30.348 -1.323 -49.753 1.00 91.28 ? 73 ASP C C 1 ATOM 2974 O O . ASP C 3 40 ? 30.755 -0.697 -48.770 1.00 91.43 ? 73 ASP C O 1 ATOM 2975 C CB . ASP C 3 40 ? 27.958 -1.983 -49.511 1.00 92.08 ? 73 ASP C CB 1 ATOM 2976 C CG . ASP C 3 40 ? 26.947 -3.106 -49.435 1.00 93.40 ? 73 ASP C CG 1 ATOM 2977 O OD1 . ASP C 3 40 ? 27.007 -4.021 -50.290 1.00 93.87 ? 73 ASP C OD1 1 ATOM 2978 O OD2 . ASP C 3 40 ? 26.089 -3.073 -48.521 1.00 94.25 ? 73 ASP C OD2 1 ATOM 2979 N N . ASN C 3 41 ? 30.713 -1.047 -51.002 1.00 91.04 ? 74 ASN C N 1 ATOM 2980 C CA . ASN C 3 41 ? 31.607 0.060 -51.318 1.00 90.79 ? 74 ASN C CA 1 ATOM 2981 C C . ASN C 3 41 ? 33.033 -0.221 -50.814 1.00 90.24 ? 74 ASN C C 1 ATOM 2982 O O . ASN C 3 41 ? 33.499 0.395 -49.851 1.00 90.17 ? 74 ASN C O 1 ATOM 2983 C CB . ASN C 3 41 ? 31.042 1.360 -50.721 1.00 90.97 ? 74 ASN C CB 1 ATOM 2984 C CG . ASN C 3 41 ? 31.391 2.587 -51.540 1.00 91.41 ? 74 ASN C CG 1 ATOM 2985 O OD1 . ASN C 3 41 ? 31.475 2.517 -52.773 1.00 91.58 ? 74 ASN C OD1 1 ATOM 2986 N ND2 . ASN C 3 41 ? 31.576 3.729 -50.858 1.00 91.28 ? 74 ASN C ND2 1 ATOM 2987 N N . ASP C 3 42 ? 33.710 -1.164 -51.474 1.00 89.44 ? 75 ASP C N 1 ATOM 2988 C CA . ASP C 3 42 ? 35.088 -1.546 -51.131 1.00 88.32 ? 75 ASP C CA 1 ATOM 2989 C C . ASP C 3 42 ? 36.104 -0.623 -51.804 1.00 87.08 ? 75 ASP C C 1 ATOM 2990 O O . ASP C 3 42 ? 37.185 -0.379 -51.267 1.00 87.12 ? 75 ASP C O 1 ATOM 2991 C CB . ASP C 3 42 ? 35.380 -2.991 -51.565 1.00 88.84 ? 75 ASP C CB 1 ATOM 2992 C CG . ASP C 3 42 ? 34.258 -3.953 -51.212 1.00 89.82 ? 75 ASP C CG 1 ATOM 2993 O OD1 . ASP C 3 42 ? 33.198 -3.900 -51.875 1.00 89.92 ? 75 ASP C OD1 1 ATOM 2994 O OD2 . ASP C 3 42 ? 34.440 -4.769 -50.278 1.00 90.45 ? 75 ASP C OD2 1 ATOM 2995 N N . LYS C 3 43 ? 35.743 -0.134 -52.990 1.00 85.30 ? 76 LYS C N 1 ATOM 2996 C CA . LYS C 3 43 ? 36.587 0.730 -53.820 1.00 83.32 ? 76 LYS C CA 1 ATOM 2997 C C . LYS C 3 43 ? 37.397 1.778 -53.053 1.00 81.69 ? 76 LYS C C 1 ATOM 2998 O O . LYS C 3 43 ? 36.847 2.522 -52.241 1.00 81.65 ? 76 LYS C O 1 ATOM 2999 C CB . LYS C 3 43 ? 35.717 1.413 -54.877 1.00 83.72 ? 76 LYS C CB 1 ATOM 3000 C CG . LYS C 3 43 ? 34.485 2.116 -54.308 1.00 83.86 ? 76 LYS C CG 1 ATOM 3001 C CD . LYS C 3 43 ? 33.448 2.397 -55.387 1.00 84.77 ? 76 LYS C CD 1 ATOM 3002 C CE . LYS C 3 43 ? 33.960 3.377 -56.437 1.00 84.68 ? 76 LYS C CE 1 ATOM 3003 N NZ . LYS C 3 43 ? 32.990 3.511 -57.567 1.00 84.81 ? 76 LYS C NZ 1 ATOM 3004 N N . VAL C 3 44 ? 38.700 1.837 -53.327 1.00 79.53 ? 77 VAL C N 1 ATOM 3005 C CA . VAL C 3 44 ? 39.593 2.776 -52.643 1.00 77.47 ? 77 VAL C CA 1 ATOM 3006 C C . VAL C 3 44 ? 39.254 4.226 -52.961 1.00 76.25 ? 77 VAL C C 1 ATOM 3007 O O . VAL C 3 44 ? 38.763 4.534 -54.046 1.00 75.97 ? 77 VAL C O 1 ATOM 3008 C CB . VAL C 3 44 ? 41.078 2.530 -52.993 1.00 77.16 ? 77 VAL C CB 1 ATOM 3009 C CG1 . VAL C 3 44 ? 41.450 1.082 -52.728 1.00 76.83 ? 77 VAL C CG1 1 ATOM 3010 C CG2 . VAL C 3 44 ? 41.357 2.906 -54.438 1.00 76.86 ? 77 VAL C CG2 1 ATOM 3011 N N . GLN C 3 45 ? 39.526 5.111 -52.006 1.00 74.87 ? 78 GLN C N 1 ATOM 3012 C CA . GLN C 3 45 ? 39.233 6.535 -52.149 1.00 73.22 ? 78 GLN C CA 1 ATOM 3013 C C . GLN C 3 45 ? 40.493 7.378 -51.947 1.00 72.34 ? 78 GLN C C 1 ATOM 3014 O O . GLN C 3 45 ? 41.441 6.943 -51.291 1.00 72.32 ? 78 GLN C O 1 ATOM 3015 C CB . GLN C 3 45 ? 38.175 6.962 -51.129 1.00 73.03 ? 78 GLN C CB 1 ATOM 3016 C CG . GLN C 3 45 ? 36.900 6.120 -51.097 1.00 73.71 ? 78 GLN C CG 1 ATOM 3017 C CD . GLN C 3 45 ? 35.975 6.386 -52.276 1.00 74.55 ? 78 GLN C CD 1 ATOM 3018 O OE1 . GLN C 3 45 ? 36.255 5.980 -53.406 1.00 75.91 ? 78 GLN C OE1 1 ATOM 3019 N NE2 . GLN C 3 45 ? 34.859 7.065 -52.015 1.00 73.88 ? 78 GLN C NE2 1 ATOM 3020 N N . LYS C 3 46 ? 40.493 8.581 -52.519 1.00 70.95 ? 79 LYS C N 1 ATOM 3021 C CA . LYS C 3 46 ? 41.609 9.521 -52.387 1.00 69.38 ? 79 LYS C CA 1 ATOM 3022 C C . LYS C 3 46 ? 41.188 10.568 -51.381 1.00 67.75 ? 79 LYS C C 1 ATOM 3023 O O . LYS C 3 46 ? 40.004 10.892 -51.298 1.00 67.24 ? 79 LYS C O 1 ATOM 3024 C CB . LYS C 3 46 ? 41.899 10.215 -53.721 1.00 70.44 ? 79 LYS C CB 1 ATOM 3025 C CG . LYS C 3 46 ? 42.262 9.274 -54.858 1.00 72.18 ? 79 LYS C CG 1 ATOM 3026 C CD . LYS C 3 46 ? 42.518 10.025 -56.155 1.00 72.93 ? 79 LYS C CD 1 ATOM 3027 C CE . LYS C 3 46 ? 42.991 9.070 -57.240 1.00 73.70 ? 79 LYS C CE 1 ATOM 3028 N NZ . LYS C 3 46 ? 43.393 9.777 -58.487 1.00 74.30 ? 79 LYS C NZ 1 ATOM 3029 N N . CYS C 3 47 ? 42.136 11.106 -50.618 1.00 66.15 ? 80 CYS C N 1 ATOM 3030 C CA . CYS C 3 47 ? 41.783 12.150 -49.661 1.00 64.75 ? 80 CYS C CA 1 ATOM 3031 C C . CYS C 3 47 ? 41.326 13.402 -50.396 1.00 63.97 ? 80 CYS C C 1 ATOM 3032 O O . CYS C 3 47 ? 42.130 14.103 -51.010 1.00 63.82 ? 80 CYS C O 1 ATOM 3033 C CB . CYS C 3 47 ? 42.940 12.493 -48.732 1.00 63.89 ? 80 CYS C CB 1 ATOM 3034 S SG . CYS C 3 47 ? 42.386 13.709 -47.509 1.00 65.29 ? 80 CYS C SG 1 ATOM 3035 N N . SER C 3 48 ? 40.025 13.676 -50.318 1.00 63.27 ? 81 SER C N 1 ATOM 3036 C CA . SER C 3 48 ? 39.416 14.782 -51.060 1.00 62.19 ? 81 SER C CA 1 ATOM 3037 C C . SER C 3 48 ? 39.649 16.157 -50.447 1.00 60.86 ? 81 SER C C 1 ATOM 3038 O O . SER C 3 48 ? 39.240 17.171 -51.027 1.00 60.62 ? 81 SER C O 1 ATOM 3039 C CB . SER C 3 48 ? 37.912 14.541 -51.242 1.00 62.81 ? 81 SER C CB 1 ATOM 3040 O OG . SER C 3 48 ? 37.269 14.346 -49.993 1.00 63.95 ? 81 SER C OG 1 ATOM 3041 N N . HIS C 3 49 ? 40.293 16.188 -49.280 1.00 59.31 ? 82 HIS C N 1 ATOM 3042 C CA . HIS C 3 49 ? 40.656 17.450 -48.647 1.00 58.32 ? 82 HIS C CA 1 ATOM 3043 C C . HIS C 3 49 ? 41.873 17.332 -47.744 1.00 58.14 ? 82 HIS C C 1 ATOM 3044 O O . HIS C 3 49 ? 41.747 16.986 -46.580 1.00 58.54 ? 82 HIS C O 1 ATOM 3045 C CB . HIS C 3 49 ? 39.498 18.008 -47.828 1.00 57.32 ? 82 HIS C CB 1 ATOM 3046 C CG . HIS C 3 49 ? 39.811 19.325 -47.191 1.00 56.32 ? 82 HIS C CG 1 ATOM 3047 N ND1 . HIS C 3 49 ? 40.157 20.439 -47.927 1.00 55.50 ? 82 HIS C ND1 1 ATOM 3048 C CD2 . HIS C 3 49 ? 39.859 19.701 -45.892 1.00 55.91 ? 82 HIS C CD2 1 ATOM 3049 C CE1 . HIS C 3 49 ? 40.400 21.447 -47.108 1.00 54.87 ? 82 HIS C CE1 1 ATOM 3050 N NE2 . HIS C 3 49 ? 40.225 21.026 -45.868 1.00 55.18 ? 82 HIS C NE2 1 ATOM 3051 N N . TYR C 3 50 ? 43.048 17.638 -48.274 1.00 58.36 ? 83 TYR C N 1 ATOM 3052 C CA . TYR C 3 50 ? 44.270 17.552 -47.484 1.00 58.51 ? 83 TYR C CA 1 ATOM 3053 C C . TYR C 3 50 ? 44.414 18.702 -46.496 1.00 58.86 ? 83 TYR C C 1 ATOM 3054 O O . TYR C 3 50 ? 43.875 19.792 -46.708 1.00 58.74 ? 83 TYR C O 1 ATOM 3055 C CB . TYR C 3 50 ? 45.491 17.512 -48.403 1.00 57.94 ? 83 TYR C CB 1 ATOM 3056 C CG . TYR C 3 50 ? 45.745 16.164 -49.037 1.00 57.58 ? 83 TYR C CG 1 ATOM 3057 C CD1 . TYR C 3 50 ? 46.497 15.188 -48.369 1.00 57.60 ? 83 TYR C CD1 1 ATOM 3058 C CD2 . TYR C 3 50 ? 45.241 15.864 -50.310 1.00 57.02 ? 83 TYR C CD2 1 ATOM 3059 C CE1 . TYR C 3 50 ? 46.741 13.950 -48.952 1.00 57.87 ? 83 TYR C CE1 1 ATOM 3060 C CE2 . TYR C 3 50 ? 45.481 14.625 -50.904 1.00 56.98 ? 83 TYR C CE2 1 ATOM 3061 C CZ . TYR C 3 50 ? 46.231 13.677 -50.218 1.00 57.69 ? 83 TYR C CZ 1 ATOM 3062 O OH . TYR C 3 50 ? 46.476 12.459 -50.799 1.00 58.40 ? 83 TYR C OH 1 ATOM 3063 N N . LEU C 3 51 ? 45.143 18.440 -45.416 1.00 59.54 ? 84 LEU C N 1 ATOM 3064 C CA . LEU C 3 51 ? 45.472 19.449 -44.415 1.00 60.36 ? 84 LEU C CA 1 ATOM 3065 C C . LEU C 3 51 ? 46.968 19.680 -44.525 1.00 61.64 ? 84 LEU C C 1 ATOM 3066 O O . LEU C 3 51 ? 47.713 18.737 -44.783 1.00 61.30 ? 84 LEU C O 1 ATOM 3067 C CB . LEU C 3 51 ? 45.157 18.945 -43.005 1.00 59.91 ? 84 LEU C CB 1 ATOM 3068 C CG . LEU C 3 51 ? 43.755 18.995 -42.391 1.00 58.80 ? 84 LEU C CG 1 ATOM 3069 C CD1 . LEU C 3 51 ? 42.758 18.259 -43.260 1.00 58.74 ? 84 LEU C CD1 1 ATOM 3070 C CD2 . LEU C 3 51 ? 43.806 18.383 -40.989 1.00 57.13 ? 84 LEU C CD2 1 ATOM 3071 N N . PHE C 3 52 ? 47.405 20.920 -44.320 1.00 63.58 ? 85 PHE C N 1 ATOM 3072 C CA . PHE C 3 52 ? 48.822 21.267 -44.433 1.00 65.37 ? 85 PHE C CA 1 ATOM 3073 C C . PHE C 3 52 ? 49.402 21.919 -43.186 1.00 67.25 ? 85 PHE C C 1 ATOM 3074 O O . PHE C 3 52 ? 48.760 22.760 -42.559 1.00 67.57 ? 85 PHE C O 1 ATOM 3075 C CB . PHE C 3 52 ? 49.047 22.184 -45.634 1.00 64.47 ? 85 PHE C CB 1 ATOM 3076 C CG . PHE C 3 52 ? 49.080 21.460 -46.941 1.00 63.95 ? 85 PHE C CG 1 ATOM 3077 C CD1 . PHE C 3 52 ? 50.223 20.766 -47.335 1.00 63.72 ? 85 PHE C CD1 1 ATOM 3078 C CD2 . PHE C 3 52 ? 47.966 21.448 -47.771 1.00 63.65 ? 85 PHE C CD2 1 ATOM 3079 C CE1 . PHE C 3 52 ? 50.261 20.073 -48.536 1.00 63.54 ? 85 PHE C CE1 1 ATOM 3080 C CE2 . PHE C 3 52 ? 47.992 20.758 -48.977 1.00 64.36 ? 85 PHE C CE2 1 ATOM 3081 C CZ . PHE C 3 52 ? 49.145 20.069 -49.361 1.00 63.91 ? 85 PHE C CZ 1 ATOM 3082 N N . SER C 3 53 ? 50.623 21.521 -42.836 1.00 69.51 ? 86 SER C N 1 ATOM 3083 C CA . SER C 3 53 ? 51.345 22.104 -41.704 1.00 71.83 ? 86 SER C CA 1 ATOM 3084 C C . SER C 3 53 ? 52.798 22.300 -42.106 1.00 72.88 ? 86 SER C C 1 ATOM 3085 O O . SER C 3 53 ? 53.462 21.349 -42.529 1.00 73.24 ? 86 SER C O 1 ATOM 3086 C CB . SER C 3 53 ? 51.265 21.196 -40.474 1.00 72.10 ? 86 SER C CB 1 ATOM 3087 O OG . SER C 3 53 ? 52.003 20.000 -40.672 1.00 73.81 ? 86 SER C OG 1 ATOM 3088 N N . GLU C 3 54 ? 53.286 23.532 -41.966 1.00 74.23 ? 87 GLU C N 1 ATOM 3089 C CA . GLU C 3 54 ? 54.640 23.892 -42.388 1.00 75.47 ? 87 GLU C CA 1 ATOM 3090 C C . GLU C 3 54 ? 54.816 23.516 -43.856 1.00 75.73 ? 87 GLU C C 1 ATOM 3091 O O . GLU C 3 54 ? 55.787 22.847 -44.225 1.00 76.06 ? 87 GLU C O 1 ATOM 3092 C CB . GLU C 3 54 ? 55.698 23.183 -41.531 1.00 76.29 ? 87 GLU C CB 1 ATOM 3093 C CG . GLU C 3 54 ? 55.584 23.442 -40.031 1.00 78.24 ? 87 GLU C CG 1 ATOM 3094 C CD . GLU C 3 54 ? 56.584 22.610 -39.221 1.00 79.66 ? 87 GLU C CD 1 ATOM 3095 O OE1 . GLU C 3 54 ? 57.089 21.589 -39.747 1.00 80.37 ? 87 GLU C OE1 1 ATOM 3096 O OE2 . GLU C 3 54 ? 56.856 22.972 -38.054 1.00 79.69 ? 87 GLU C OE2 1 ATOM 3097 N N . GLU C 3 55 ? 53.846 23.936 -44.673 1.00 75.69 ? 88 GLU C N 1 ATOM 3098 C CA . GLU C 3 55 ? 53.821 23.677 -46.117 1.00 75.51 ? 88 GLU C CA 1 ATOM 3099 C C . GLU C 3 55 ? 54.030 22.204 -46.479 1.00 74.81 ? 88 GLU C C 1 ATOM 3100 O O . GLU C 3 55 ? 54.575 21.881 -47.537 1.00 74.98 ? 88 GLU C O 1 ATOM 3101 C CB . GLU C 3 55 ? 54.838 24.573 -46.835 1.00 76.31 ? 88 GLU C CB 1 ATOM 3102 C CG . GLU C 3 55 ? 54.662 26.054 -46.518 1.00 78.02 ? 88 GLU C CG 1 ATOM 3103 C CD . GLU C 3 55 ? 55.817 26.909 -47.023 1.00 79.75 ? 88 GLU C CD 1 ATOM 3104 O OE1 . GLU C 3 55 ? 56.940 26.370 -47.223 1.00 80.21 ? 88 GLU C OE1 1 ATOM 3105 O OE2 . GLU C 3 55 ? 55.604 28.128 -47.205 1.00 80.60 ? 88 GLU C OE2 1 ATOM 3106 N N . ILE C 3 56 ? 53.578 21.323 -45.590 1.00 73.93 ? 89 ILE C N 1 ATOM 3107 C CA . ILE C 3 56 ? 53.670 19.878 -45.785 1.00 73.02 ? 89 ILE C CA 1 ATOM 3108 C C . ILE C 3 56 ? 52.317 19.244 -45.440 1.00 71.74 ? 89 ILE C C 1 ATOM 3109 O O . ILE C 3 56 ? 51.525 19.834 -44.698 1.00 71.44 ? 89 ILE C O 1 ATOM 3110 C CB . ILE C 3 56 ? 54.786 19.260 -44.890 1.00 73.50 ? 89 ILE C CB 1 ATOM 3111 C CG1 . ILE C 3 56 ? 56.145 19.912 -45.189 1.00 73.40 ? 89 ILE C CG1 1 ATOM 3112 C CG2 . ILE C 3 56 ? 54.855 17.737 -45.067 1.00 73.49 ? 89 ILE C CG2 1 ATOM 3113 C CD1 . ILE C 3 56 ? 56.683 19.649 -46.586 1.00 73.85 ? 89 ILE C CD1 1 ATOM 3114 N N . THR C 3 57 ? 52.048 18.060 -45.991 1.00 69.82 ? 90 THR C N 1 ATOM 3115 C CA . THR C 3 57 ? 50.815 17.335 -45.689 1.00 67.62 ? 90 THR C CA 1 ATOM 3116 C C . THR C 3 57 ? 50.740 16.973 -44.217 1.00 66.24 ? 90 THR C C 1 ATOM 3117 O O . THR C 3 57 ? 51.452 16.098 -43.724 1.00 65.26 ? 90 THR C O 1 ATOM 3118 C CB . THR C 3 57 ? 50.667 16.052 -46.514 1.00 67.63 ? 90 THR C CB 1 ATOM 3119 O OG1 . THR C 3 57 ? 51.899 15.319 -46.483 1.00 68.74 ? 90 THR C OG1 1 ATOM 3120 C CG2 . THR C 3 57 ? 50.276 16.380 -47.944 1.00 67.00 ? 90 THR C CG2 1 ATOM 3121 N N . SER C 3 58 ? 49.860 17.685 -43.530 1.00 64.95 ? 91 SER C N 1 ATOM 3122 C CA . SER C 3 58 ? 49.611 17.506 -42.119 1.00 63.44 ? 91 SER C CA 1 ATOM 3123 C C . SER C 3 58 ? 48.715 16.282 -41.895 1.00 62.29 ? 91 SER C C 1 ATOM 3124 O O . SER C 3 58 ? 48.941 15.498 -40.970 1.00 62.21 ? 91 SER C O 1 ATOM 3125 C CB . SER C 3 58 ? 48.951 18.779 -41.580 1.00 63.28 ? 91 SER C CB 1 ATOM 3126 O OG . SER C 3 58 ? 48.563 18.651 -40.225 1.00 64.16 ? 91 SER C OG 1 ATOM 3127 N N . GLY C 3 59 ? 47.705 16.123 -42.749 1.00 60.62 ? 92 GLY C N 1 ATOM 3128 C CA . GLY C 3 59 ? 46.774 15.011 -42.622 1.00 58.71 ? 92 GLY C CA 1 ATOM 3129 C C . GLY C 3 59 ? 45.619 15.044 -43.606 1.00 57.41 ? 92 GLY C C 1 ATOM 3130 O O . GLY C 3 59 ? 45.651 15.771 -44.601 1.00 57.50 ? 92 GLY C O 1 ATOM 3131 N N . CYS C 3 60 ? 44.596 14.244 -43.330 1.00 56.30 ? 93 CYS C N 1 ATOM 3132 C CA . CYS C 3 60 ? 43.419 14.191 -44.184 1.00 54.82 ? 93 CYS C CA 1 ATOM 3133 C C . CYS C 3 60 ? 42.186 14.608 -43.395 1.00 52.99 ? 93 CYS C C 1 ATOM 3134 O O . CYS C 3 60 ? 42.237 14.731 -42.175 1.00 52.84 ? 93 CYS C O 1 ATOM 3135 C CB . CYS C 3 60 ? 43.234 12.775 -44.730 1.00 55.94 ? 93 CYS C CB 1 ATOM 3136 S SG . CYS C 3 60 ? 41.834 12.625 -45.866 1.00 59.97 ? 93 CYS C SG 1 ATOM 3137 N N . GLN C 3 61 ? 41.077 14.836 -44.090 1.00 51.36 ? 94 GLN C N 1 ATOM 3138 C CA . GLN C 3 61 ? 39.829 15.194 -43.422 1.00 49.37 ? 94 GLN C CA 1 ATOM 3139 C C . GLN C 3 61 ? 38.676 14.705 -44.270 1.00 48.16 ? 94 GLN C C 1 ATOM 3140 O O . GLN C 3 61 ? 38.558 15.085 -45.433 1.00 48.34 ? 94 GLN C O 1 ATOM 3141 C CB . GLN C 3 61 ? 39.736 16.713 -43.220 1.00 48.74 ? 94 GLN C CB 1 ATOM 3142 C CG . GLN C 3 61 ? 38.357 17.196 -42.772 1.00 49.30 ? 94 GLN C CG 1 ATOM 3143 C CD . GLN C 3 61 ? 38.383 18.575 -42.106 1.00 49.36 ? 94 GLN C CD 1 ATOM 3144 O OE1 . GLN C 3 61 ? 37.444 19.371 -42.252 1.00 48.22 ? 94 GLN C OE1 1 ATOM 3145 N NE2 . GLN C 3 61 ? 39.447 18.852 -41.357 1.00 48.69 ? 94 GLN C NE2 1 ATOM 3146 N N . LEU C 3 62 ? 37.839 13.850 -43.689 1.00 46.81 ? 95 LEU C N 1 ATOM 3147 C CA . LEU C 3 62 ? 36.685 13.309 -44.399 1.00 45.59 ? 95 LEU C CA 1 ATOM 3148 C C . LEU C 3 62 ? 35.410 13.855 -43.798 1.00 45.31 ? 95 LEU C C 1 ATOM 3149 O O . LEU C 3 62 ? 35.370 14.192 -42.621 1.00 44.63 ? 95 LEU C O 1 ATOM 3150 C CB . LEU C 3 62 ? 36.663 11.781 -44.330 1.00 44.76 ? 95 LEU C CB 1 ATOM 3151 C CG . LEU C 3 62 ? 37.754 10.967 -45.038 1.00 43.70 ? 95 LEU C CG 1 ATOM 3152 C CD1 . LEU C 3 62 ? 39.111 11.164 -44.384 1.00 43.36 ? 95 LEU C CD1 1 ATOM 3153 C CD2 . LEU C 3 62 ? 37.376 9.499 -44.977 1.00 43.44 ? 95 LEU C CD2 1 ATOM 3154 N N . GLN C 3 63 ? 34.367 13.943 -44.611 1.00 46.30 ? 96 GLN C N 1 ATOM 3155 C CA . GLN C 3 63 ? 33.084 14.453 -44.145 1.00 47.41 ? 96 GLN C CA 1 ATOM 3156 C C . GLN C 3 63 ? 32.158 13.309 -43.753 1.00 48.16 ? 96 GLN C C 1 ATOM 3157 O O . GLN C 3 63 ? 32.463 12.145 -43.999 1.00 48.14 ? 96 GLN C O 1 ATOM 3158 C CB . GLN C 3 63 ? 32.433 15.325 -45.221 1.00 47.28 ? 96 GLN C CB 1 ATOM 3159 C CG . GLN C 3 63 ? 33.383 16.325 -45.865 1.00 47.52 ? 96 GLN C CG 1 ATOM 3160 C CD . GLN C 3 63 ? 34.225 17.081 -44.847 1.00 48.11 ? 96 GLN C CD 1 ATOM 3161 O OE1 . GLN C 3 63 ? 33.695 17.800 -43.994 1.00 47.81 ? 96 GLN C OE1 1 ATOM 3162 N NE2 . GLN C 3 63 ? 35.547 16.923 -44.936 1.00 47.75 ? 96 GLN C NE2 1 ATOM 3163 N N . LYS C 3 64 ? 31.024 13.660 -43.148 1.00 49.16 ? 97 LYS C N 1 ATOM 3164 C CA . LYS C 3 64 ? 30.039 12.694 -42.665 1.00 49.06 ? 97 LYS C CA 1 ATOM 3165 C C . LYS C 3 64 ? 29.715 11.627 -43.698 1.00 48.85 ? 97 LYS C C 1 ATOM 3166 O O . LYS C 3 64 ? 29.775 10.435 -43.402 1.00 48.67 ? 97 LYS C O 1 ATOM 3167 C CB . LYS C 3 64 ? 28.758 13.417 -42.247 1.00 49.23 ? 97 LYS C CB 1 ATOM 3168 C CG . LYS C 3 64 ? 27.875 12.607 -41.322 1.00 50.52 ? 97 LYS C CG 1 ATOM 3169 C CD . LYS C 3 64 ? 26.717 13.439 -40.800 1.00 52.31 ? 97 LYS C CD 1 ATOM 3170 C CE . LYS C 3 64 ? 25.995 12.701 -39.681 1.00 53.98 ? 97 LYS C CE 1 ATOM 3171 N NZ . LYS C 3 64 ? 24.907 13.518 -39.068 1.00 56.46 ? 97 LYS C NZ 1 ATOM 3172 N N . LYS C 3 65 ? 29.395 12.062 -44.911 1.00 49.18 ? 98 LYS C N 1 ATOM 3173 C CA . LYS C 3 65 ? 29.073 11.152 -46.003 1.00 49.87 ? 98 LYS C CA 1 ATOM 3174 C C . LYS C 3 65 ? 30.115 10.044 -46.162 1.00 49.81 ? 98 LYS C C 1 ATOM 3175 O O . LYS C 3 65 ? 29.790 8.944 -46.603 1.00 49.92 ? 98 LYS C O 1 ATOM 3176 C CB . LYS C 3 65 ? 28.940 11.937 -47.313 1.00 50.87 ? 98 LYS C CB 1 ATOM 3177 C CG . LYS C 3 65 ? 28.101 13.216 -47.185 1.00 52.38 ? 98 LYS C CG 1 ATOM 3178 C CD . LYS C 3 65 ? 27.701 13.813 -48.537 1.00 54.01 ? 98 LYS C CD 1 ATOM 3179 C CE . LYS C 3 65 ? 28.894 14.386 -49.306 1.00 54.33 ? 98 LYS C CE 1 ATOM 3180 N NZ . LYS C 3 65 ? 29.781 13.324 -49.862 1.00 54.83 ? 98 LYS C NZ 1 ATOM 3181 N N . GLU C 3 66 ? 31.357 10.338 -45.784 1.00 49.89 ? 99 GLU C N 1 ATOM 3182 C CA . GLU C 3 66 ? 32.478 9.405 -45.926 1.00 49.50 ? 99 GLU C CA 1 ATOM 3183 C C . GLU C 3 66 ? 32.748 8.557 -44.679 1.00 48.71 ? 99 GLU C C 1 ATOM 3184 O O . GLU C 3 66 ? 33.411 7.522 -44.749 1.00 48.67 ? 99 GLU C O 1 ATOM 3185 C CB . GLU C 3 66 ? 33.748 10.181 -46.283 1.00 50.33 ? 99 GLU C CB 1 ATOM 3186 C CG . GLU C 3 66 ? 33.702 10.928 -47.624 1.00 51.98 ? 99 GLU C CG 1 ATOM 3187 C CD . GLU C 3 66 ? 34.847 11.938 -47.765 1.00 54.34 ? 99 GLU C CD 1 ATOM 3188 O OE1 . GLU C 3 66 ? 34.728 13.067 -47.233 1.00 55.61 ? 99 GLU C OE1 1 ATOM 3189 O OE2 . GLU C 3 66 ? 35.873 11.607 -48.402 1.00 55.20 ? 99 GLU C OE2 1 ATOM 3190 N N . ILE C 3 67 ? 32.244 8.999 -43.534 1.00 47.92 ? 100 ILE C N 1 ATOM 3191 C CA . ILE C 3 67 ? 32.443 8.272 -42.286 1.00 46.15 ? 100 ILE C CA 1 ATOM 3192 C C . ILE C 3 67 ? 31.403 7.180 -42.089 1.00 45.22 ? 100 ILE C C 1 ATOM 3193 O O . ILE C 3 67 ? 30.197 7.440 -42.130 1.00 45.35 ? 100 ILE C O 1 ATOM 3194 C CB . ILE C 3 67 ? 32.391 9.225 -41.082 1.00 45.64 ? 100 ILE C CB 1 ATOM 3195 C CG1 . ILE C 3 67 ? 33.526 10.247 -41.184 1.00 46.33 ? 100 ILE C CG1 1 ATOM 3196 C CG2 . ILE C 3 67 ? 32.492 8.439 -39.786 1.00 44.96 ? 100 ILE C CG2 1 ATOM 3197 C CD1 . ILE C 3 67 ? 33.419 11.390 -40.189 1.00 47.32 ? 100 ILE C CD1 1 ATOM 3198 N N . HIS C 3 68 ? 31.877 5.958 -41.879 1.00 43.73 ? 101 HIS C N 1 ATOM 3199 C CA . HIS C 3 68 ? 30.997 4.832 -41.594 1.00 42.14 ? 101 HIS C CA 1 ATOM 3200 C C . HIS C 3 68 ? 31.492 4.110 -40.349 1.00 41.11 ? 101 HIS C C 1 ATOM 3201 O O . HIS C 3 68 ? 32.441 3.322 -40.420 1.00 40.93 ? 101 HIS C O 1 ATOM 3202 C CB . HIS C 3 68 ? 30.969 3.840 -42.763 1.00 42.31 ? 101 HIS C CB 1 ATOM 3203 C CG . HIS C 3 68 ? 30.450 4.417 -44.046 1.00 44.05 ? 101 HIS C CG 1 ATOM 3204 N ND1 . HIS C 3 68 ? 29.237 5.068 -44.139 1.00 44.51 ? 101 HIS C ND1 1 ATOM 3205 C CD2 . HIS C 3 68 ? 30.963 4.397 -45.301 1.00 44.25 ? 101 HIS C CD2 1 ATOM 3206 C CE1 . HIS C 3 68 ? 29.032 5.435 -45.393 1.00 45.07 ? 101 HIS C CE1 1 ATOM 3207 N NE2 . HIS C 3 68 ? 30.065 5.040 -46.119 1.00 44.25 ? 101 HIS C NE2 1 ATOM 3208 N N . LEU C 3 69 ? 30.875 4.385 -39.204 1.00 39.40 ? 102 LEU C N 1 ATOM 3209 C CA . LEU C 3 69 ? 31.212 3.631 -37.999 1.00 38.07 ? 102 LEU C CA 1 ATOM 3210 C C . LEU C 3 69 ? 30.656 2.223 -38.188 1.00 38.49 ? 102 LEU C C 1 ATOM 3211 O O . LEU C 3 69 ? 29.814 2.000 -39.066 1.00 39.00 ? 102 LEU C O 1 ATOM 3212 C CB . LEU C 3 69 ? 30.574 4.250 -36.762 1.00 36.37 ? 102 LEU C CB 1 ATOM 3213 C CG . LEU C 3 69 ? 30.683 5.746 -36.483 1.00 34.93 ? 102 LEU C CG 1 ATOM 3214 C CD1 . LEU C 3 69 ? 30.054 6.014 -35.111 1.00 33.34 ? 102 LEU C CD1 1 ATOM 3215 C CD2 . LEU C 3 69 ? 32.123 6.229 -36.523 1.00 32.30 ? 102 LEU C CD2 1 ATOM 3216 N N . TYR C 3 70 ? 31.108 1.275 -37.372 1.00 38.46 ? 103 TYR C N 1 ATOM 3217 C CA . TYR C 3 70 ? 30.583 -0.094 -37.438 1.00 38.77 ? 103 TYR C CA 1 ATOM 3218 C C . TYR C 3 70 ? 30.896 -0.707 -38.800 1.00 40.03 ? 103 TYR C C 1 ATOM 3219 O O . TYR C 3 70 ? 30.059 -1.361 -39.416 1.00 40.23 ? 103 TYR C O 1 ATOM 3220 C CB . TYR C 3 70 ? 29.069 -0.098 -37.171 1.00 36.26 ? 103 TYR C CB 1 ATOM 3221 C CG . TYR C 3 70 ? 28.676 0.767 -35.991 1.00 33.84 ? 103 TYR C CG 1 ATOM 3222 C CD1 . TYR C 3 70 ? 29.113 0.457 -34.704 1.00 32.39 ? 103 TYR C CD1 1 ATOM 3223 C CD2 . TYR C 3 70 ? 27.906 1.918 -36.161 1.00 31.22 ? 103 TYR C CD2 1 ATOM 3224 C CE1 . TYR C 3 70 ? 28.799 1.267 -33.618 1.00 30.67 ? 103 TYR C CE1 1 ATOM 3225 C CE2 . TYR C 3 70 ? 27.583 2.738 -35.079 1.00 29.22 ? 103 TYR C CE2 1 ATOM 3226 C CZ . TYR C 3 70 ? 28.034 2.404 -33.809 1.00 30.20 ? 103 TYR C CZ 1 ATOM 3227 O OH . TYR C 3 70 ? 27.734 3.203 -32.720 1.00 30.57 ? 103 TYR C OH 1 ATOM 3228 N N . GLN C 3 71 ? 32.116 -0.486 -39.262 1.00 42.14 ? 104 GLN C N 1 ATOM 3229 C CA . GLN C 3 71 ? 32.523 -0.946 -40.572 1.00 45.44 ? 104 GLN C CA 1 ATOM 3230 C C . GLN C 3 71 ? 34.030 -0.758 -40.580 1.00 46.62 ? 104 GLN C C 1 ATOM 3231 O O . GLN C 3 71 ? 34.509 0.373 -40.565 1.00 47.33 ? 104 GLN C O 1 ATOM 3232 C CB . GLN C 3 71 ? 31.852 -0.076 -41.647 1.00 46.63 ? 104 GLN C CB 1 ATOM 3233 C CG . GLN C 3 71 ? 31.518 -0.775 -42.959 1.00 49.27 ? 104 GLN C CG 1 ATOM 3234 C CD . GLN C 3 71 ? 30.481 -1.877 -42.793 1.00 52.74 ? 104 GLN C CD 1 ATOM 3235 O OE1 . GLN C 3 71 ? 30.826 -3.063 -42.728 1.00 54.15 ? 104 GLN C OE1 1 ATOM 3236 N NE2 . GLN C 3 71 ? 29.202 -1.491 -42.717 1.00 53.98 ? 104 GLN C NE2 1 ATOM 3237 N N . THR C 3 72 ? 34.773 -1.863 -40.572 1.00 47.98 ? 105 THR C N 1 ATOM 3238 C CA . THR C 3 72 ? 36.234 -1.807 -40.525 1.00 49.60 ? 105 THR C CA 1 ATOM 3239 C C . THR C 3 72 ? 36.777 -0.763 -41.510 1.00 50.31 ? 105 THR C C 1 ATOM 3240 O O . THR C 3 72 ? 36.536 -0.843 -42.715 1.00 49.75 ? 105 THR C O 1 ATOM 3241 C CB . THR C 3 72 ? 36.854 -3.195 -40.811 1.00 50.07 ? 105 THR C CB 1 ATOM 3242 O OG1 . THR C 3 72 ? 36.422 -3.653 -42.099 1.00 51.93 ? 105 THR C OG1 1 ATOM 3243 C CG2 . THR C 3 72 ? 36.409 -4.215 -39.758 1.00 50.09 ? 105 THR C CG2 1 ATOM 3244 N N . PHE C 3 73 ? 37.490 0.225 -40.974 1.00 51.39 ? 106 PHE C N 1 ATOM 3245 C CA . PHE C 3 73 ? 38.024 1.340 -41.758 1.00 52.50 ? 106 PHE C CA 1 ATOM 3246 C C . PHE C 3 73 ? 39.505 1.119 -42.034 1.00 53.30 ? 106 PHE C C 1 ATOM 3247 O O . PHE C 3 73 ? 40.247 0.741 -41.136 1.00 53.23 ? 106 PHE C O 1 ATOM 3248 C CB . PHE C 3 73 ? 37.819 2.639 -40.974 1.00 52.66 ? 106 PHE C CB 1 ATOM 3249 C CG . PHE C 3 73 ? 38.313 3.879 -41.675 1.00 53.01 ? 106 PHE C CG 1 ATOM 3250 C CD1 . PHE C 3 73 ? 39.274 4.689 -41.074 1.00 52.47 ? 106 PHE C CD1 1 ATOM 3251 C CD2 . PHE C 3 73 ? 37.793 4.263 -42.908 1.00 53.64 ? 106 PHE C CD2 1 ATOM 3252 C CE1 . PHE C 3 73 ? 39.720 5.862 -41.686 1.00 51.76 ? 106 PHE C CE1 1 ATOM 3253 C CE2 . PHE C 3 73 ? 38.239 5.433 -43.533 1.00 54.01 ? 106 PHE C CE2 1 ATOM 3254 C CZ . PHE C 3 73 ? 39.207 6.233 -42.913 1.00 52.94 ? 106 PHE C CZ 1 ATOM 3255 N N . VAL C 3 74 ? 39.936 1.351 -43.273 1.00 54.45 ? 107 VAL C N 1 ATOM 3256 C CA . VAL C 3 74 ? 41.334 1.117 -43.647 1.00 55.44 ? 107 VAL C CA 1 ATOM 3257 C C . VAL C 3 74 ? 42.010 2.309 -44.332 1.00 56.05 ? 107 VAL C C 1 ATOM 3258 O O . VAL C 3 74 ? 41.640 2.694 -45.440 1.00 55.83 ? 107 VAL C O 1 ATOM 3259 C CB . VAL C 3 74 ? 41.481 -0.127 -44.559 1.00 55.19 ? 107 VAL C CB 1 ATOM 3260 C CG1 . VAL C 3 74 ? 42.945 -0.528 -44.665 1.00 54.80 ? 107 VAL C CG1 1 ATOM 3261 C CG2 . VAL C 3 74 ? 40.656 -1.283 -44.024 1.00 54.26 ? 107 VAL C CG2 1 ATOM 3262 N N . VAL C 3 75 ? 43.010 2.876 -43.664 1.00 56.93 ? 108 VAL C N 1 ATOM 3263 C CA . VAL C 3 75 ? 43.764 3.996 -44.213 1.00 58.72 ? 108 VAL C CA 1 ATOM 3264 C C . VAL C 3 75 ? 45.081 3.537 -44.803 1.00 60.58 ? 108 VAL C C 1 ATOM 3265 O O . VAL C 3 75 ? 45.676 2.570 -44.335 1.00 60.55 ? 108 VAL C O 1 ATOM 3266 C CB . VAL C 3 75 ? 44.087 5.067 -43.154 1.00 58.02 ? 108 VAL C CB 1 ATOM 3267 C CG1 . VAL C 3 75 ? 42.825 5.755 -42.703 1.00 58.16 ? 108 VAL C CG1 1 ATOM 3268 C CG2 . VAL C 3 75 ? 44.832 4.455 -41.978 1.00 57.12 ? 108 VAL C CG2 1 ATOM 3269 N N . GLN C 3 76 ? 45.535 4.257 -45.824 1.00 63.23 ? 109 GLN C N 1 ATOM 3270 C CA . GLN C 3 76 ? 46.801 3.972 -46.477 1.00 65.54 ? 109 GLN C CA 1 ATOM 3271 C C . GLN C 3 76 ? 47.620 5.248 -46.589 1.00 66.67 ? 109 GLN C C 1 ATOM 3272 O O . GLN C 3 76 ? 47.174 6.248 -47.150 1.00 66.24 ? 109 GLN C O 1 ATOM 3273 C CB . GLN C 3 76 ? 46.566 3.369 -47.863 1.00 66.24 ? 109 GLN C CB 1 ATOM 3274 C CG . GLN C 3 76 ? 47.844 2.907 -48.566 1.00 68.43 ? 109 GLN C CG 1 ATOM 3275 C CD . GLN C 3 76 ? 47.575 2.375 -49.974 1.00 69.81 ? 109 GLN C CD 1 ATOM 3276 O OE1 . GLN C 3 76 ? 47.079 3.103 -50.862 1.00 70.04 ? 109 GLN C OE1 1 ATOM 3277 N NE2 . GLN C 3 76 ? 47.908 1.098 -50.186 1.00 69.83 ? 109 GLN C NE2 1 ATOM 3278 N N . LEU C 3 77 ? 48.825 5.201 -46.041 1.00 68.88 ? 110 LEU C N 1 ATOM 3279 C CA . LEU C 3 77 ? 49.725 6.335 -46.072 1.00 71.44 ? 110 LEU C CA 1 ATOM 3280 C C . LEU C 3 77 ? 50.817 6.060 -47.102 1.00 73.40 ? 110 LEU C C 1 ATOM 3281 O O . LEU C 3 77 ? 51.776 5.342 -46.824 1.00 73.88 ? 110 LEU C O 1 ATOM 3282 C CB . LEU C 3 77 ? 50.333 6.529 -44.688 1.00 71.10 ? 110 LEU C CB 1 ATOM 3283 C CG . LEU C 3 77 ? 50.857 7.916 -44.335 1.00 71.32 ? 110 LEU C CG 1 ATOM 3284 C CD1 . LEU C 3 77 ? 49.719 8.919 -44.351 1.00 71.43 ? 110 LEU C CD1 1 ATOM 3285 C CD2 . LEU C 3 77 ? 51.506 7.869 -42.964 1.00 71.70 ? 110 LEU C CD2 1 ATOM 3286 N N . GLN C 3 78 ? 50.659 6.633 -48.294 1.00 75.73 ? 111 GLN C N 1 ATOM 3287 C CA . GLN C 3 78 ? 51.593 6.416 -49.398 1.00 77.48 ? 111 GLN C CA 1 ATOM 3288 C C . GLN C 3 78 ? 52.636 7.536 -49.511 1.00 78.43 ? 111 GLN C C 1 ATOM 3289 O O . GLN C 3 78 ? 52.414 8.651 -49.034 1.00 78.59 ? 111 GLN C O 1 ATOM 3290 C CB . GLN C 3 78 ? 50.802 6.288 -50.708 1.00 77.75 ? 111 GLN C CB 1 ATOM 3291 C CG . GLN C 3 78 ? 51.621 5.884 -51.926 1.00 78.66 ? 111 GLN C CG 1 ATOM 3292 C CD . GLN C 3 78 ? 52.028 4.424 -51.906 1.00 79.57 ? 111 GLN C CD 1 ATOM 3293 O OE1 . GLN C 3 78 ? 51.187 3.531 -52.017 1.00 80.51 ? 111 GLN C OE1 1 ATOM 3294 N NE2 . GLN C 3 78 ? 53.325 4.172 -51.770 1.00 79.47 ? 111 GLN C NE2 1 ATOM 3295 N N . ASP C 3 79 ? 53.776 7.218 -50.134 1.00 79.63 ? 112 ASP C N 1 ATOM 3296 C CA . ASP C 3 79 ? 54.828 8.200 -50.426 1.00 80.66 ? 112 ASP C CA 1 ATOM 3297 C C . ASP C 3 79 ? 55.090 8.192 -51.940 1.00 81.29 ? 112 ASP C C 1 ATOM 3298 O O . ASP C 3 79 ? 55.566 7.199 -52.484 1.00 81.48 ? 112 ASP C O 1 ATOM 3299 C CB . ASP C 3 79 ? 56.112 7.850 -49.660 1.00 80.68 ? 112 ASP C CB 1 ATOM 3300 C CG . ASP C 3 79 ? 57.256 8.825 -49.938 1.00 80.54 ? 112 ASP C CG 1 ATOM 3301 O OD1 . ASP C 3 79 ? 57.085 9.766 -50.746 1.00 79.79 ? 112 ASP C OD1 1 ATOM 3302 O OD2 . ASP C 3 79 ? 58.336 8.646 -49.340 1.00 80.53 ? 112 ASP C OD2 1 ATOM 3303 N N . PRO C 3 80 ? 54.800 9.307 -52.634 1.00 81.72 ? 113 PRO C N 1 ATOM 3304 C CA . PRO C 3 80 ? 54.955 9.323 -54.096 1.00 82.07 ? 113 PRO C CA 1 ATOM 3305 C C . PRO C 3 80 ? 56.379 9.012 -54.564 1.00 82.47 ? 113 PRO C C 1 ATOM 3306 O O . PRO C 3 80 ? 56.573 8.413 -55.625 1.00 82.25 ? 113 PRO C O 1 ATOM 3307 C CB . PRO C 3 80 ? 54.539 10.747 -54.472 1.00 82.00 ? 113 PRO C CB 1 ATOM 3308 C CG . PRO C 3 80 ? 54.891 11.547 -53.268 1.00 81.95 ? 113 PRO C CG 1 ATOM 3309 C CD . PRO C 3 80 ? 54.471 10.650 -52.125 1.00 81.94 ? 113 PRO C CD 1 ATOM 3310 N N . ARG C 3 81 ? 57.362 9.414 -53.764 1.00 82.80 ? 114 ARG C N 1 ATOM 3311 C CA . ARG C 3 81 ? 58.766 9.178 -54.074 1.00 83.16 ? 114 ARG C CA 1 ATOM 3312 C C . ARG C 3 81 ? 59.153 7.719 -53.890 1.00 82.85 ? 114 ARG C C 1 ATOM 3313 O O . ARG C 3 81 ? 60.282 7.325 -54.176 1.00 83.16 ? 114 ARG C O 1 ATOM 3314 C CB . ARG C 3 81 ? 59.642 10.087 -53.215 1.00 83.80 ? 114 ARG C CB 1 ATOM 3315 C CG . ARG C 3 81 ? 59.473 11.529 -53.614 1.00 85.33 ? 114 ARG C CG 1 ATOM 3316 C CD . ARG C 3 81 ? 60.268 12.489 -52.763 1.00 87.55 ? 114 ARG C CD 1 ATOM 3317 N NE . ARG C 3 81 ? 60.295 13.799 -53.490 1.00 89.94 ? 114 ARG C NE 1 ATOM 3318 C CZ . ARG C 3 81 ? 60.792 14.910 -52.955 1.00 91.28 ? 114 ARG C CZ 1 ATOM 3319 N NH1 . ARG C 3 81 ? 61.310 14.887 -51.667 1.00 92.30 ? 114 ARG C NH1 1 ATOM 3320 N NH2 . ARG C 3 81 ? 60.763 16.050 -53.711 1.00 91.60 ? 114 ARG C NH2 1 ATOM 3321 N N . GLU C 3 82 ? 58.200 6.923 -53.415 1.00 82.66 ? 115 GLU C N 1 ATOM 3322 C CA . GLU C 3 82 ? 58.394 5.492 -53.222 1.00 82.41 ? 115 GLU C CA 1 ATOM 3323 C C . GLU C 3 82 ? 57.051 4.772 -53.309 1.00 82.00 ? 115 GLU C C 1 ATOM 3324 O O . GLU C 3 82 ? 56.238 4.828 -52.373 1.00 81.91 ? 115 GLU C O 1 ATOM 3325 C CB . GLU C 3 82 ? 59.060 5.212 -51.873 1.00 82.26 ? 115 GLU C CB 1 ATOM 3326 C CG . GLU C 3 82 ? 60.564 5.456 -51.839 1.00 82.57 ? 115 GLU C CG 1 ATOM 3327 C CD . GLU C 3 82 ? 61.039 5.941 -50.481 1.00 82.85 ? 115 GLU C CD 1 ATOM 3328 O OE1 . GLU C 3 82 ? 60.146 6.334 -49.643 1.00 83.32 ? 115 GLU C OE1 1 ATOM 3329 O OE2 . GLU C 3 82 ? 62.304 5.941 -50.254 1.00 82.61 ? 115 GLU C OE2 1 ATOM 3330 N N . PRO C 3 83 ? 56.803 4.095 -54.447 1.00 81.53 ? 116 PRO C N 1 ATOM 3331 C CA . PRO C 3 83 ? 55.551 3.353 -54.588 1.00 81.47 ? 116 PRO C CA 1 ATOM 3332 C C . PRO C 3 83 ? 55.464 2.095 -53.707 1.00 81.48 ? 116 PRO C C 1 ATOM 3333 O O . PRO C 3 83 ? 54.365 1.586 -53.461 1.00 81.73 ? 116 PRO C O 1 ATOM 3334 C CB . PRO C 3 83 ? 55.513 3.015 -56.088 1.00 81.17 ? 116 PRO C CB 1 ATOM 3335 C CG . PRO C 3 83 ? 56.376 4.093 -56.720 1.00 80.65 ? 116 PRO C CG 1 ATOM 3336 C CD . PRO C 3 83 ? 57.519 4.180 -55.732 1.00 81.05 ? 116 PRO C CD 1 ATOM 3337 N N . ARG C 3 84 ? 56.611 1.614 -53.227 1.00 81.10 ? 117 ARG C N 1 ATOM 3338 C CA . ARG C 3 84 ? 56.662 0.421 -52.377 1.00 80.78 ? 117 ARG C CA 1 ATOM 3339 C C . ARG C 3 84 ? 56.861 0.757 -50.894 1.00 80.05 ? 117 ARG C C 1 ATOM 3340 O O . ARG C 3 84 ? 56.756 -0.121 -50.022 1.00 80.22 ? 117 ARG C O 1 ATOM 3341 C CB . ARG C 3 84 ? 57.758 -0.537 -52.864 1.00 81.40 ? 117 ARG C CB 1 ATOM 3342 C CG . ARG C 3 84 ? 57.868 -1.844 -52.045 1.00 82.33 ? 117 ARG C CG 1 ATOM 3343 C CD . ARG C 3 84 ? 59.012 -2.722 -52.546 1.00 83.80 ? 117 ARG C CD 1 ATOM 3344 N NE . ARG C 3 84 ? 60.282 -1.994 -52.683 1.00 85.40 ? 117 ARG C NE 1 ATOM 3345 C CZ . ARG C 3 84 ? 61.121 -1.721 -51.680 1.00 85.93 ? 117 ARG C CZ 1 ATOM 3346 N NH1 . ARG C 3 84 ? 60.844 -2.110 -50.437 1.00 85.99 ? 117 ARG C NH1 1 ATOM 3347 N NH2 . ARG C 3 84 ? 62.246 -1.054 -51.922 1.00 86.59 ? 117 ARG C NH2 1 ATOM 3348 N N . ARG C 3 85 ? 57.157 2.025 -50.606 1.00 78.85 ? 118 ARG C N 1 ATOM 3349 C CA . ARG C 3 85 ? 57.292 2.443 -49.212 1.00 77.57 ? 118 ARG C CA 1 ATOM 3350 C C . ARG C 3 85 ? 55.992 3.068 -48.704 1.00 77.40 ? 118 ARG C C 1 ATOM 3351 O O . ARG C 3 85 ? 55.705 4.246 -48.939 1.00 77.65 ? 118 ARG C O 1 ATOM 3352 C CB . ARG C 3 85 ? 58.450 3.419 -49.030 1.00 76.67 ? 118 ARG C CB 1 ATOM 3353 C CG . ARG C 3 85 ? 58.228 4.337 -47.862 1.00 75.49 ? 118 ARG C CG 1 ATOM 3354 C CD . ARG C 3 85 ? 59.508 4.915 -47.357 1.00 74.58 ? 118 ARG C CD 1 ATOM 3355 N NE . ARG C 3 85 ? 59.237 6.208 -46.738 1.00 73.82 ? 118 ARG C NE 1 ATOM 3356 C CZ . ARG C 3 85 ? 59.395 6.470 -45.448 1.00 73.31 ? 118 ARG C CZ 1 ATOM 3357 N NH1 . ARG C 3 85 ? 59.829 5.525 -44.629 1.00 73.95 ? 118 ARG C NH1 1 ATOM 3358 N NH2 . ARG C 3 85 ? 59.138 7.686 -44.984 1.00 72.05 ? 118 ARG C NH2 1 ATOM 3359 N N . GLN C 3 86 ? 55.212 2.263 -47.992 1.00 76.61 ? 119 GLN C N 1 ATOM 3360 C CA . GLN C 3 86 ? 53.936 2.708 -47.444 1.00 75.48 ? 119 GLN C CA 1 ATOM 3361 C C . GLN C 3 86 ? 53.468 1.782 -46.323 1.00 74.19 ? 119 GLN C C 1 ATOM 3362 O O . GLN C 3 86 ? 54.013 0.696 -46.150 1.00 74.09 ? 119 GLN C O 1 ATOM 3363 C CB . GLN C 3 86 ? 52.880 2.796 -48.564 1.00 75.92 ? 119 GLN C CB 1 ATOM 3364 C CG . GLN C 3 86 ? 52.749 1.546 -49.440 1.00 76.06 ? 119 GLN C CG 1 ATOM 3365 C CD . GLN C 3 86 ? 52.278 0.331 -48.664 1.00 76.45 ? 119 GLN C CD 1 ATOM 3366 O OE1 . GLN C 3 86 ? 51.189 0.332 -48.074 1.00 76.40 ? 119 GLN C OE1 1 ATOM 3367 N NE2 . GLN C 3 86 ? 53.107 -0.713 -48.649 1.00 76.36 ? 119 GLN C NE2 1 ATOM 3368 N N . ALA C 3 87 ? 52.469 2.221 -45.559 1.00 72.82 ? 120 ALA C N 1 ATOM 3369 C CA . ALA C 3 87 ? 51.874 1.379 -44.521 1.00 71.40 ? 120 ALA C CA 1 ATOM 3370 C C . ALA C 3 87 ? 50.346 1.422 -44.574 1.00 70.17 ? 120 ALA C C 1 ATOM 3371 O O . ALA C 3 87 ? 49.741 2.494 -44.669 1.00 70.16 ? 120 ALA C O 1 ATOM 3372 C CB . ALA C 3 87 ? 52.374 1.787 -43.133 1.00 71.10 ? 120 ALA C CB 1 ATOM 3373 N N . THR C 3 88 ? 49.735 0.241 -44.529 1.00 68.39 ? 121 THR C N 1 ATOM 3374 C CA . THR C 3 88 ? 48.284 0.102 -44.534 1.00 66.07 ? 121 THR C CA 1 ATOM 3375 C C . THR C 3 88 ? 47.830 -0.082 -43.089 1.00 64.56 ? 121 THR C C 1 ATOM 3376 O O . THR C 3 88 ? 48.549 -0.668 -42.277 1.00 64.77 ? 121 THR C O 1 ATOM 3377 C CB . THR C 3 88 ? 47.848 -1.108 -45.398 1.00 66.33 ? 121 THR C CB 1 ATOM 3378 O OG1 . THR C 3 88 ? 46.422 -1.196 -45.420 1.00 66.11 ? 121 THR C OG1 1 ATOM 3379 C CG2 . THR C 3 88 ? 48.428 -2.416 -44.856 1.00 66.58 ? 121 THR C CG2 1 ATOM 3380 N N . GLN C 3 89 ? 46.640 0.413 -42.764 1.00 62.53 ? 122 GLN C N 1 ATOM 3381 C CA . GLN C 3 89 ? 46.142 0.341 -41.390 1.00 60.32 ? 122 GLN C CA 1 ATOM 3382 C C . GLN C 3 89 ? 44.605 0.284 -41.288 1.00 58.69 ? 122 GLN C C 1 ATOM 3383 O O . GLN C 3 89 ? 43.900 0.975 -42.027 1.00 58.50 ? 122 GLN C O 1 ATOM 3384 C CB . GLN C 3 89 ? 46.686 1.539 -40.610 1.00 59.90 ? 122 GLN C CB 1 ATOM 3385 C CG . GLN C 3 89 ? 46.518 1.453 -39.110 1.00 59.85 ? 122 GLN C CG 1 ATOM 3386 C CD . GLN C 3 89 ? 47.131 2.640 -38.398 1.00 60.66 ? 122 GLN C CD 1 ATOM 3387 O OE1 . GLN C 3 89 ? 47.157 2.684 -37.169 1.00 61.94 ? 122 GLN C OE1 1 ATOM 3388 N NE2 . GLN C 3 89 ? 47.632 3.609 -39.164 1.00 59.76 ? 122 GLN C NE2 1 ATOM 3389 N N . MET C 3 90 ? 44.089 -0.534 -40.370 1.00 56.49 ? 123 MET C N 1 ATOM 3390 C CA . MET C 3 90 ? 42.638 -0.638 -40.195 1.00 54.35 ? 123 MET C CA 1 ATOM 3391 C C . MET C 3 90 ? 42.140 -0.233 -38.807 1.00 51.56 ? 123 MET C C 1 ATOM 3392 O O . MET C 3 90 ? 42.684 -0.655 -37.788 1.00 51.04 ? 123 MET C O 1 ATOM 3393 C CB . MET C 3 90 ? 42.133 -2.039 -40.570 1.00 55.33 ? 123 MET C CB 1 ATOM 3394 C CG . MET C 3 90 ? 42.694 -3.180 -39.749 1.00 56.50 ? 123 MET C CG 1 ATOM 3395 S SD . MET C 3 90 ? 42.588 -4.717 -40.687 1.00 59.25 ? 123 MET C SD 1 ATOM 3396 C CE . MET C 3 90 ? 40.811 -4.943 -40.814 1.00 58.28 ? 123 MET C CE 1 ATOM 3397 N N . LEU C 3 91 ? 41.086 0.579 -38.795 1.00 48.34 ? 124 LEU C N 1 ATOM 3398 C CA . LEU C 3 91 ? 40.523 1.125 -37.566 1.00 44.88 ? 124 LEU C CA 1 ATOM 3399 C C . LEU C 3 91 ? 39.050 0.796 -37.350 1.00 43.35 ? 124 LEU C C 1 ATOM 3400 O O . LEU C 3 91 ? 38.314 0.466 -38.292 1.00 42.53 ? 124 LEU C O 1 ATOM 3401 C CB . LEU C 3 91 ? 40.688 2.647 -37.554 1.00 44.03 ? 124 LEU C CB 1 ATOM 3402 C CG . LEU C 3 91 ? 42.095 3.212 -37.758 1.00 43.16 ? 124 LEU C CG 1 ATOM 3403 C CD1 . LEU C 3 91 ? 42.032 4.700 -38.048 1.00 42.02 ? 124 LEU C CD1 1 ATOM 3404 C CD2 . LEU C 3 91 ? 42.945 2.944 -36.537 1.00 43.97 ? 124 LEU C CD2 1 ATOM 3405 N N . LYS C 3 92 ? 38.645 0.886 -36.082 1.00 41.75 ? 125 LYS C N 1 ATOM 3406 C CA . LYS C 3 92 ? 37.256 0.732 -35.676 1.00 40.22 ? 125 LYS C CA 1 ATOM 3407 C C . LYS C 3 92 ? 36.816 2.125 -35.247 1.00 38.62 ? 125 LYS C C 1 ATOM 3408 O O . LYS C 3 92 ? 36.871 2.470 -34.066 1.00 38.14 ? 125 LYS C O 1 ATOM 3409 C CB . LYS C 3 92 ? 37.132 -0.249 -34.508 1.00 40.89 ? 125 LYS C CB 1 ATOM 3410 C CG . LYS C 3 92 ? 37.284 -1.729 -34.879 1.00 42.78 ? 125 LYS C CG 1 ATOM 3411 C CD . LYS C 3 92 ? 37.419 -2.579 -33.603 1.00 45.35 ? 125 LYS C CD 1 ATOM 3412 C CE . LYS C 3 92 ? 37.433 -4.091 -33.875 1.00 46.35 ? 125 LYS C CE 1 ATOM 3413 N NZ . LYS C 3 92 ? 36.142 -4.612 -34.431 1.00 46.96 ? 125 LYS C NZ 1 ATOM 3414 N N . LEU C 3 93 ? 36.396 2.926 -36.225 1.00 37.01 ? 126 LEU C N 1 ATOM 3415 C CA . LEU C 3 93 ? 35.997 4.316 -35.999 1.00 35.72 ? 126 LEU C CA 1 ATOM 3416 C C . LEU C 3 93 ? 35.080 4.557 -34.798 1.00 34.95 ? 126 LEU C C 1 ATOM 3417 O O . LEU C 3 93 ? 35.232 5.543 -34.057 1.00 33.71 ? 126 LEU C O 1 ATOM 3418 C CB . LEU C 3 93 ? 35.343 4.863 -37.258 1.00 34.70 ? 126 LEU C CB 1 ATOM 3419 C CG . LEU C 3 93 ? 36.286 4.887 -38.451 1.00 34.81 ? 126 LEU C CG 1 ATOM 3420 C CD1 . LEU C 3 93 ? 35.577 5.511 -39.634 1.00 35.93 ? 126 LEU C CD1 1 ATOM 3421 C CD2 . LEU C 3 93 ? 37.583 5.643 -38.131 1.00 33.89 ? 126 LEU C CD2 1 ATOM 3422 N N . GLN C 3 94 ? 34.120 3.658 -34.623 1.00 33.73 ? 127 GLN C N 1 ATOM 3423 C CA . GLN C 3 94 ? 33.202 3.724 -33.504 1.00 32.97 ? 127 GLN C CA 1 ATOM 3424 C C . GLN C 3 94 ? 33.898 3.995 -32.170 1.00 31.94 ? 127 GLN C C 1 ATOM 3425 O O . GLN C 3 94 ? 33.304 4.590 -31.274 1.00 31.50 ? 127 GLN C O 1 ATOM 3426 C CB . GLN C 3 94 ? 32.438 2.417 -33.413 1.00 33.64 ? 127 GLN C CB 1 ATOM 3427 C CG . GLN C 3 94 ? 33.337 1.217 -33.532 1.00 35.10 ? 127 GLN C CG 1 ATOM 3428 C CD . GLN C 3 94 ? 32.586 -0.044 -33.254 1.00 37.73 ? 127 GLN C CD 1 ATOM 3429 O OE1 . GLN C 3 94 ? 32.049 -0.224 -32.161 1.00 40.11 ? 127 GLN C OE1 1 ATOM 3430 N NE2 . GLN C 3 94 ? 32.526 -0.931 -34.243 1.00 38.28 ? 127 GLN C NE2 1 ATOM 3431 N N . ASN C 3 95 ? 35.151 3.567 -32.037 1.00 30.62 ? 128 ASN C N 1 ATOM 3432 C CA . ASN C 3 95 ? 35.873 3.768 -30.790 1.00 30.35 ? 128 ASN C CA 1 ATOM 3433 C C . ASN C 3 95 ? 36.726 5.029 -30.775 1.00 30.65 ? 128 ASN C C 1 ATOM 3434 O O . ASN C 3 95 ? 37.439 5.287 -29.805 1.00 30.62 ? 128 ASN C O 1 ATOM 3435 C CB . ASN C 3 95 ? 36.733 2.545 -30.473 1.00 30.37 ? 128 ASN C CB 1 ATOM 3436 C CG . ASN C 3 95 ? 35.905 1.280 -30.334 1.00 31.42 ? 128 ASN C CG 1 ATOM 3437 O OD1 . ASN C 3 95 ? 34.729 1.332 -29.975 1.00 34.14 ? 128 ASN C OD1 1 ATOM 3438 N ND2 . ASN C 3 95 ? 36.513 0.138 -30.618 1.00 30.62 ? 128 ASN C ND2 1 ATOM 3439 N N . LEU C 3 96 ? 36.629 5.837 -31.828 1.00 30.49 ? 129 LEU C N 1 ATOM 3440 C CA . LEU C 3 96 ? 37.468 7.024 -31.939 1.00 29.47 ? 129 LEU C CA 1 ATOM 3441 C C . LEU C 3 96 ? 36.668 8.313 -31.955 1.00 29.50 ? 129 LEU C C 1 ATOM 3442 O O . LEU C 3 96 ? 37.189 9.377 -32.280 1.00 29.32 ? 129 LEU C O 1 ATOM 3443 C CB . LEU C 3 96 ? 38.338 6.922 -33.193 1.00 28.75 ? 129 LEU C CB 1 ATOM 3444 C CG . LEU C 3 96 ? 39.214 5.669 -33.270 1.00 26.90 ? 129 LEU C CG 1 ATOM 3445 C CD1 . LEU C 3 96 ? 39.767 5.493 -34.658 1.00 25.93 ? 129 LEU C CD1 1 ATOM 3446 C CD2 . LEU C 3 96 ? 40.329 5.739 -32.243 1.00 25.20 ? 129 LEU C CD2 1 ATOM 3447 N N . VAL C 3 97 ? 35.398 8.212 -31.589 1.00 29.73 ? 130 VAL C N 1 ATOM 3448 C CA . VAL C 3 97 ? 34.516 9.370 -31.560 1.00 29.97 ? 130 VAL C CA 1 ATOM 3449 C C . VAL C 3 97 ? 34.842 10.288 -30.387 1.00 30.87 ? 130 VAL C C 1 ATOM 3450 O O . VAL C 3 97 ? 35.320 9.829 -29.356 1.00 32.05 ? 130 VAL C O 1 ATOM 3451 C CB . VAL C 3 97 ? 33.064 8.917 -31.481 1.00 29.11 ? 130 VAL C CB 1 ATOM 3452 C CG1 . VAL C 3 97 ? 32.131 10.108 -31.548 1.00 29.77 ? 130 VAL C CG1 1 ATOM 3453 C CG2 . VAL C 3 97 ? 32.786 7.948 -32.606 1.00 27.96 ? 130 VAL C CG2 1 ATOM 3454 N N . ILE C 3 98 ? 34.611 11.586 -30.566 1.00 31.72 ? 131 ILE C N 1 ATOM 3455 C CA . ILE C 3 98 ? 34.814 12.573 -29.513 1.00 32.49 ? 131 ILE C CA 1 ATOM 3456 C C . ILE C 3 98 ? 33.733 13.636 -29.631 1.00 33.26 ? 131 ILE C C 1 ATOM 3457 O O . ILE C 3 98 ? 33.810 14.517 -30.479 1.00 33.49 ? 131 ILE C O 1 ATOM 3458 C CB . ILE C 3 98 ? 36.170 13.265 -29.629 1.00 32.48 ? 131 ILE C CB 1 ATOM 3459 C CG1 . ILE C 3 98 ? 37.296 12.238 -29.533 1.00 33.92 ? 131 ILE C CG1 1 ATOM 3460 C CG2 . ILE C 3 98 ? 36.304 14.324 -28.547 1.00 31.27 ? 131 ILE C CG2 1 ATOM 3461 C CD1 . ILE C 3 98 ? 38.668 12.837 -29.649 1.00 35.22 ? 131 ILE C CD1 1 ATOM 3462 N N . PRO C 3 99 ? 32.715 13.566 -28.769 1.00 34.08 ? 132 PRO C N 1 ATOM 3463 C CA . PRO C 3 99 ? 31.605 14.511 -28.821 1.00 35.15 ? 132 PRO C CA 1 ATOM 3464 C C . PRO C 3 99 ? 32.023 15.944 -28.508 1.00 36.01 ? 132 PRO C C 1 ATOM 3465 O O . PRO C 3 99 ? 33.067 16.166 -27.896 1.00 36.25 ? 132 PRO C O 1 ATOM 3466 C CB . PRO C 3 99 ? 30.654 13.971 -27.753 1.00 35.31 ? 132 PRO C CB 1 ATOM 3467 C CG . PRO C 3 99 ? 31.558 13.339 -26.774 1.00 34.67 ? 132 PRO C CG 1 ATOM 3468 C CD . PRO C 3 99 ? 32.581 12.649 -27.628 1.00 34.22 ? 132 PRO C CD 1 ATOM 3469 N N . TRP C 3 100 ? 31.213 16.905 -28.945 1.00 36.66 ? 133 TRP C N 1 ATOM 3470 C CA . TRP C 3 100 ? 31.446 18.311 -28.633 1.00 37.22 ? 133 TRP C CA 1 ATOM 3471 C C . TRP C 3 100 ? 31.163 18.482 -27.158 1.00 38.51 ? 133 TRP C C 1 ATOM 3472 O O . TRP C 3 100 ? 30.441 17.679 -26.567 1.00 38.60 ? 133 TRP C O 1 ATOM 3473 C CB . TRP C 3 100 ? 30.497 19.215 -29.419 1.00 36.76 ? 133 TRP C CB 1 ATOM 3474 C CG . TRP C 3 100 ? 30.732 19.222 -30.887 1.00 36.01 ? 133 TRP C CG 1 ATOM 3475 C CD1 . TRP C 3 100 ? 29.791 19.133 -31.869 1.00 34.60 ? 133 TRP C CD1 1 ATOM 3476 C CD2 . TRP C 3 100 ? 31.996 19.320 -31.546 1.00 35.84 ? 133 TRP C CD2 1 ATOM 3477 N NE1 . TRP C 3 100 ? 30.393 19.166 -33.105 1.00 34.99 ? 133 TRP C NE1 1 ATOM 3478 C CE2 . TRP C 3 100 ? 31.747 19.280 -32.933 1.00 35.56 ? 133 TRP C CE2 1 ATOM 3479 C CE3 . TRP C 3 100 ? 33.318 19.432 -31.098 1.00 36.40 ? 133 TRP C CE3 1 ATOM 3480 C CZ2 . TRP C 3 100 ? 32.770 19.349 -33.876 1.00 37.12 ? 133 TRP C CZ2 1 ATOM 3481 C CZ3 . TRP C 3 100 ? 34.332 19.502 -32.031 1.00 36.91 ? 133 TRP C CZ3 1 ATOM 3482 C CH2 . TRP C 3 100 ? 34.056 19.456 -33.405 1.00 37.70 ? 133 TRP C CH2 1 ATOM 3483 N N . ALA C 3 101 ? 31.732 19.518 -26.561 1.00 39.77 ? 134 ALA C N 1 ATOM 3484 C CA . ALA C 3 101 ? 31.476 19.791 -25.160 1.00 41.55 ? 134 ALA C CA 1 ATOM 3485 C C . ALA C 3 101 ? 29.994 20.140 -24.997 1.00 42.70 ? 134 ALA C C 1 ATOM 3486 O O . ALA C 3 101 ? 29.426 20.827 -25.838 1.00 42.65 ? 134 ALA C O 1 ATOM 3487 C CB . ALA C 3 101 ? 32.350 20.936 -24.688 1.00 41.32 ? 134 ALA C CB 1 ATOM 3488 N N . PRO C 3 102 ? 29.348 19.648 -23.929 1.00 44.36 ? 135 PRO C N 1 ATOM 3489 C CA . PRO C 3 102 ? 27.939 19.970 -23.701 1.00 45.66 ? 135 PRO C CA 1 ATOM 3490 C C . PRO C 3 102 ? 27.745 21.477 -23.620 1.00 46.91 ? 135 PRO C C 1 ATOM 3491 O O . PRO C 3 102 ? 28.674 22.187 -23.262 1.00 47.45 ? 135 PRO C O 1 ATOM 3492 C CB . PRO C 3 102 ? 27.657 19.307 -22.357 1.00 45.93 ? 135 PRO C CB 1 ATOM 3493 C CG . PRO C 3 102 ? 28.587 18.140 -22.351 1.00 44.97 ? 135 PRO C CG 1 ATOM 3494 C CD . PRO C 3 102 ? 29.852 18.722 -22.902 1.00 44.48 ? 135 PRO C CD 1 ATOM 3495 N N . GLU C 3 103 ? 26.552 21.964 -23.945 1.00 48.87 ? 136 GLU C N 1 ATOM 3496 C CA . GLU C 3 103 ? 26.288 23.407 -23.930 1.00 51.14 ? 136 GLU C CA 1 ATOM 3497 C C . GLU C 3 103 ? 24.928 23.763 -23.318 1.00 52.21 ? 136 GLU C C 1 ATOM 3498 O O . GLU C 3 103 ? 24.125 22.881 -23.023 1.00 52.66 ? 136 GLU C O 1 ATOM 3499 C CB . GLU C 3 103 ? 26.394 23.962 -25.353 1.00 51.80 ? 136 GLU C CB 1 ATOM 3500 C CG . GLU C 3 103 ? 25.482 23.256 -26.360 1.00 53.86 ? 136 GLU C CG 1 ATOM 3501 C CD . GLU C 3 103 ? 25.796 23.622 -27.802 1.00 55.99 ? 136 GLU C CD 1 ATOM 3502 O OE1 . GLU C 3 103 ? 25.491 24.763 -28.219 1.00 55.88 ? 136 GLU C OE1 1 ATOM 3503 O OE2 . GLU C 3 103 ? 26.347 22.760 -28.521 1.00 57.42 ? 136 GLU C OE2 1 ATOM 3504 N N . ASN C 3 104 ? 24.680 25.055 -23.118 1.00 53.62 ? 137 ASN C N 1 ATOM 3505 C CA . ASN C 3 104 ? 23.403 25.517 -22.577 1.00 55.10 ? 137 ASN C CA 1 ATOM 3506 C C . ASN C 3 104 ? 23.092 24.912 -21.213 1.00 54.08 ? 137 ASN C C 1 ATOM 3507 O O . ASN C 3 104 ? 21.991 24.401 -20.983 1.00 54.12 ? 137 ASN C O 1 ATOM 3508 C CB . ASN C 3 104 ? 22.261 25.197 -23.552 1.00 58.19 ? 137 ASN C CB 1 ATOM 3509 C CG . ASN C 3 104 ? 22.492 25.778 -24.928 1.00 63.82 ? 137 ASN C CG 1 ATOM 3510 O OD1 . ASN C 3 104 ? 23.586 25.655 -25.474 1.00 66.43 ? 137 ASN C OD1 1 ATOM 3511 N ND2 . ASN C 3 104 ? 21.469 26.426 -25.493 1.00 69.87 ? 137 ASN C ND2 1 ATOM 3512 N N . LEU C 3 105 ? 24.066 24.961 -20.312 1.00 52.51 ? 138 LEU C N 1 ATOM 3513 C CA . LEU C 3 105 ? 23.870 24.426 -18.974 1.00 50.85 ? 138 LEU C CA 1 ATOM 3514 C C . LEU C 3 105 ? 22.925 25.340 -18.221 1.00 50.86 ? 138 LEU C C 1 ATOM 3515 O O . LEU C 3 105 ? 23.059 26.558 -18.278 1.00 51.34 ? 138 LEU C O 1 ATOM 3516 C CB . LEU C 3 105 ? 25.202 24.321 -18.229 1.00 49.70 ? 138 LEU C CB 1 ATOM 3517 C CG . LEU C 3 105 ? 26.129 23.144 -18.562 1.00 48.77 ? 138 LEU C CG 1 ATOM 3518 C CD1 . LEU C 3 105 ? 26.492 23.094 -20.048 1.00 47.86 ? 138 LEU C CD1 1 ATOM 3519 C CD2 . LEU C 3 105 ? 27.386 23.211 -17.707 1.00 47.58 ? 138 LEU C CD2 1 ATOM 3520 N N . THR C 3 106 ? 21.956 24.746 -17.536 1.00 51.11 ? 139 THR C N 1 ATOM 3521 C CA . THR C 3 106 ? 20.998 25.499 -16.731 1.00 50.98 ? 139 THR C CA 1 ATOM 3522 C C . THR C 3 106 ? 21.133 25.090 -15.261 1.00 50.85 ? 139 THR C C 1 ATOM 3523 O O . THR C 3 106 ? 21.757 24.074 -14.943 1.00 50.14 ? 139 THR C O 1 ATOM 3524 C CB . THR C 3 106 ? 19.543 25.239 -17.191 1.00 51.01 ? 139 THR C CB 1 ATOM 3525 O OG1 . THR C 3 106 ? 19.104 23.963 -16.694 1.00 51.63 ? 139 THR C OG1 1 ATOM 3526 C CG2 . THR C 3 106 ? 19.445 25.245 -18.726 1.00 50.13 ? 139 THR C CG2 1 ATOM 3527 N N . LEU C 3 107 ? 20.543 25.881 -14.368 1.00 51.01 ? 140 LEU C N 1 ATOM 3528 C CA . LEU C 3 107 ? 20.547 25.554 -12.945 1.00 51.13 ? 140 LEU C CA 1 ATOM 3529 C C . LEU C 3 107 ? 19.298 26.063 -12.274 1.00 52.52 ? 140 LEU C C 1 ATOM 3530 O O . LEU C 3 107 ? 19.166 27.268 -12.052 1.00 53.65 ? 140 LEU C O 1 ATOM 3531 C CB . LEU C 3 107 ? 21.752 26.175 -12.247 1.00 49.24 ? 140 LEU C CB 1 ATOM 3532 C CG . LEU C 3 107 ? 22.959 25.270 -12.077 1.00 48.23 ? 140 LEU C CG 1 ATOM 3533 C CD1 . LEU C 3 107 ? 24.171 26.112 -11.767 1.00 47.48 ? 140 LEU C CD1 1 ATOM 3534 C CD2 . LEU C 3 107 ? 22.685 24.279 -10.962 1.00 48.57 ? 140 LEU C CD2 1 ATOM 3535 N N . HIS C 3 108 ? 18.377 25.166 -11.945 1.00 53.26 ? 141 HIS C N 1 ATOM 3536 C CA . HIS C 3 108 ? 17.184 25.599 -11.238 1.00 54.67 ? 141 HIS C CA 1 ATOM 3537 C C . HIS C 3 108 ? 16.915 24.764 -10.001 1.00 54.94 ? 141 HIS C C 1 ATOM 3538 O O . HIS C 3 108 ? 17.491 23.701 -9.831 1.00 54.62 ? 141 HIS C O 1 ATOM 3539 C CB . HIS C 3 108 ? 15.966 25.622 -12.167 1.00 55.27 ? 141 HIS C CB 1 ATOM 3540 C CG . HIS C 3 108 ? 15.615 24.287 -12.742 1.00 56.97 ? 141 HIS C CG 1 ATOM 3541 N ND1 . HIS C 3 108 ? 15.135 23.247 -11.974 1.00 57.50 ? 141 HIS C ND1 1 ATOM 3542 C CD2 . HIS C 3 108 ? 15.662 23.826 -14.014 1.00 57.70 ? 141 HIS C CD2 1 ATOM 3543 C CE1 . HIS C 3 108 ? 14.903 22.202 -12.748 1.00 57.57 ? 141 HIS C CE1 1 ATOM 3544 N NE2 . HIS C 3 108 ? 15.216 22.527 -13.991 1.00 57.78 ? 141 HIS C NE2 1 ATOM 3545 N N . LYS C 3 109 ? 16.053 25.281 -9.130 1.00 56.41 ? 142 LYS C N 1 ATOM 3546 C CA . LYS C 3 109 ? 15.642 24.581 -7.921 1.00 57.42 ? 142 LYS C CA 1 ATOM 3547 C C . LYS C 3 109 ? 14.426 23.724 -8.229 1.00 58.11 ? 142 LYS C C 1 ATOM 3548 O O . LYS C 3 109 ? 13.444 24.203 -8.809 1.00 57.76 ? 142 LYS C O 1 ATOM 3549 C CB . LYS C 3 109 ? 15.289 25.577 -6.809 1.00 57.26 ? 142 LYS C CB 1 ATOM 3550 C CG . LYS C 3 109 ? 16.466 26.063 -5.967 1.00 57.77 ? 142 LYS C CG 1 ATOM 3551 C CD . LYS C 3 109 ? 16.937 24.998 -4.973 1.00 58.26 ? 142 LYS C CD 1 ATOM 3552 C CE . LYS C 3 109 ? 18.029 25.530 -4.040 1.00 58.13 ? 142 LYS C CE 1 ATOM 3553 N NZ . LYS C 3 109 ? 18.745 24.426 -3.303 1.00 56.89 ? 142 LYS C NZ 1 ATOM 3554 N N . LEU C 3 110 ? 14.497 22.456 -7.842 1.00 58.50 ? 143 LEU C N 1 ATOM 3555 C CA . LEU C 3 110 ? 13.372 21.556 -8.010 1.00 59.09 ? 143 LEU C CA 1 ATOM 3556 C C . LEU C 3 110 ? 12.602 21.506 -6.684 1.00 59.53 ? 143 LEU C C 1 ATOM 3557 O O . LEU C 3 110 ? 11.425 21.162 -6.646 1.00 58.97 ? 143 LEU C O 1 ATOM 3558 C CB . LEU C 3 110 ? 13.884 20.173 -8.415 1.00 59.22 ? 143 LEU C CB 1 ATOM 3559 C CG . LEU C 3 110 ? 13.091 19.358 -9.445 1.00 59.53 ? 143 LEU C CG 1 ATOM 3560 C CD1 . LEU C 3 110 ? 13.053 20.040 -10.810 1.00 58.65 ? 143 LEU C CD1 1 ATOM 3561 C CD2 . LEU C 3 110 ? 13.729 17.991 -9.568 1.00 59.72 ? 143 LEU C CD2 1 ATOM 3562 N N . SER C 3 111 ? 13.289 21.879 -5.606 1.00 60.75 ? 144 SER C N 1 ATOM 3563 C CA . SER C 3 111 ? 12.751 21.858 -4.246 1.00 61.23 ? 144 SER C CA 1 ATOM 3564 C C . SER C 3 111 ? 13.538 22.847 -3.376 1.00 61.49 ? 144 SER C C 1 ATOM 3565 O O . SER C 3 111 ? 14.351 23.619 -3.892 1.00 61.44 ? 144 SER C O 1 ATOM 3566 C CB . SER C 3 111 ? 12.846 20.438 -3.672 1.00 61.64 ? 144 SER C CB 1 ATOM 3567 O OG . SER C 3 111 ? 12.516 20.400 -2.294 1.00 62.77 ? 144 SER C OG 1 ATOM 3568 N N . GLU C 3 112 ? 13.298 22.819 -2.065 1.00 61.62 ? 145 GLU C N 1 ATOM 3569 C CA . GLU C 3 112 ? 13.990 23.700 -1.120 1.00 61.95 ? 145 GLU C CA 1 ATOM 3570 C C . GLU C 3 112 ? 15.524 23.579 -1.139 1.00 62.15 ? 145 GLU C C 1 ATOM 3571 O O . GLU C 3 112 ? 16.226 24.559 -0.889 1.00 62.36 ? 145 GLU C O 1 ATOM 3572 C CB . GLU C 3 112 ? 13.468 23.629 0.263 0.00 78.33 ? 145 GLU C CB 1 ATOM 3573 C CG . GLU C 3 112 ? 11.978 23.916 0.388 0.00 78.62 ? 145 GLU C CG 1 ATOM 3574 C CD . GLU C 3 112 ? 11.469 23.752 1.807 0.00 78.76 ? 145 GLU C CD 1 ATOM 3575 O OE1 . GLU C 3 112 ? 12.228 23.239 2.656 0.00 78.84 ? 145 GLU C OE1 1 ATOM 3576 O OE2 . GLU C 3 112 ? 10.308 24.128 2.070 0.00 78.84 ? 145 GLU C OE2 1 ATOM 3577 N N . SER C 3 113 ? 16.044 22.387 -1.426 1.00 61.89 ? 146 SER C N 1 ATOM 3578 C CA . SER C 3 113 ? 17.500 22.175 -1.466 1.00 61.79 ? 146 SER C CA 1 ATOM 3579 C C . SER C 3 113 ? 17.904 21.233 -2.601 1.00 61.11 ? 146 SER C C 1 ATOM 3580 O O . SER C 3 113 ? 19.085 20.887 -2.746 1.00 61.43 ? 146 SER C O 1 ATOM 3581 C CB . SER C 3 113 ? 18.031 21.648 -0.114 1.00 62.23 ? 146 SER C CB 1 ATOM 3582 O OG . SER C 3 113 ? 19.454 21.521 -0.123 1.00 61.71 ? 146 SER C OG 1 ATOM 3583 N N . GLN C 3 114 ? 16.918 20.818 -3.398 1.00 59.29 ? 147 GLN C N 1 ATOM 3584 C CA . GLN C 3 114 ? 17.200 20.004 -4.578 1.00 57.51 ? 147 GLN C CA 1 ATOM 3585 C C . GLN C 3 114 ? 17.629 20.915 -5.738 1.00 56.64 ? 147 GLN C C 1 ATOM 3586 O O . GLN C 3 114 ? 16.781 21.549 -6.394 1.00 56.17 ? 147 GLN C O 1 ATOM 3587 C CB . GLN C 3 114 ? 15.969 19.177 -4.968 1.00 56.73 ? 147 GLN C CB 1 ATOM 3588 C CG . GLN C 3 114 ? 16.172 18.289 -6.193 1.00 54.43 ? 147 GLN C CG 1 ATOM 3589 C CD . GLN C 3 114 ? 16.685 16.909 -5.848 1.00 51.57 ? 147 GLN C CD 1 ATOM 3590 O OE1 . GLN C 3 114 ? 17.651 16.759 -5.101 1.00 50.14 ? 147 GLN C OE1 1 ATOM 3591 N NE2 . GLN C 3 114 ? 16.043 15.891 -6.401 1.00 49.99 ? 147 GLN C NE2 1 ATOM 3592 N N . LEU C 3 115 ? 18.941 20.990 -5.975 1.00 54.65 ? 148 LEU C N 1 ATOM 3593 C CA . LEU C 3 115 ? 19.465 21.823 -7.056 1.00 53.38 ? 148 LEU C CA 1 ATOM 3594 C C . LEU C 3 115 ? 19.852 20.976 -8.262 1.00 52.07 ? 148 LEU C C 1 ATOM 3595 O O . LEU C 3 115 ? 20.873 20.291 -8.240 1.00 52.36 ? 148 LEU C O 1 ATOM 3596 C CB . LEU C 3 115 ? 20.670 22.643 -6.585 1.00 53.12 ? 148 LEU C CB 1 ATOM 3597 C CG . LEU C 3 115 ? 21.241 23.607 -7.632 1.00 52.47 ? 148 LEU C CG 1 ATOM 3598 C CD1 . LEU C 3 115 ? 20.187 24.613 -8.073 1.00 52.13 ? 148 LEU C CD1 1 ATOM 3599 C CD2 . LEU C 3 115 ? 22.474 24.321 -7.110 1.00 51.70 ? 148 LEU C CD2 1 ATOM 3600 N N . GLU C 3 116 ? 19.040 21.037 -9.314 1.00 50.52 ? 149 GLU C N 1 ATOM 3601 C CA . GLU C 3 116 ? 19.252 20.207 -10.493 1.00 50.01 ? 149 GLU C CA 1 ATOM 3602 C C . GLU C 3 116 ? 19.966 20.921 -11.634 1.00 49.75 ? 149 GLU C C 1 ATOM 3603 O O . GLU C 3 116 ? 19.531 21.977 -12.093 1.00 50.47 ? 149 GLU C O 1 ATOM 3604 C CB . GLU C 3 116 ? 17.916 19.648 -10.990 1.00 50.05 ? 149 GLU C CB 1 ATOM 3605 C CG . GLU C 3 116 ? 17.990 18.948 -12.340 1.00 50.29 ? 149 GLU C CG 1 ATOM 3606 C CD . GLU C 3 116 ? 16.652 18.374 -12.788 1.00 51.55 ? 149 GLU C CD 1 ATOM 3607 O OE1 . GLU C 3 116 ? 16.160 17.413 -12.146 1.00 50.57 ? 149 GLU C OE1 1 ATOM 3608 O OE2 . GLU C 3 116 ? 16.101 18.877 -13.794 1.00 51.83 ? 149 GLU C OE2 1 ATOM 3609 N N . LEU C 3 117 ? 21.060 20.318 -12.092 1.00 48.68 ? 150 LEU C N 1 ATOM 3610 C CA . LEU C 3 117 ? 21.813 20.811 -13.235 1.00 46.91 ? 150 LEU C CA 1 ATOM 3611 C C . LEU C 3 117 ? 21.284 20.135 -14.491 1.00 47.25 ? 150 LEU C C 1 ATOM 3612 O O . LEU C 3 117 ? 20.972 18.948 -14.476 1.00 46.15 ? 150 LEU C O 1 ATOM 3613 C CB . LEU C 3 117 ? 23.290 20.474 -13.061 1.00 45.70 ? 150 LEU C CB 1 ATOM 3614 C CG . LEU C 3 117 ? 24.231 20.783 -14.223 1.00 43.98 ? 150 LEU C CG 1 ATOM 3615 C CD1 . LEU C 3 117 ? 24.230 22.267 -14.507 1.00 43.85 ? 150 LEU C CD1 1 ATOM 3616 C CD2 . LEU C 3 117 ? 25.628 20.308 -13.886 1.00 42.78 ? 150 LEU C CD2 1 ATOM 3617 N N . ASN C 3 118 ? 21.165 20.892 -15.574 1.00 48.51 ? 151 ASN C N 1 ATOM 3618 C CA . ASN C 3 118 ? 20.759 20.309 -16.849 1.00 50.17 ? 151 ASN C CA 1 ATOM 3619 C C . ASN C 3 118 ? 21.680 20.755 -17.964 1.00 50.56 ? 151 ASN C C 1 ATOM 3620 O O . ASN C 3 118 ? 22.454 21.694 -17.801 1.00 50.08 ? 151 ASN C O 1 ATOM 3621 C CB . ASN C 3 118 ? 19.317 20.683 -17.198 1.00 51.73 ? 151 ASN C CB 1 ATOM 3622 C CG . ASN C 3 118 ? 18.310 20.039 -16.274 1.00 54.51 ? 151 ASN C CG 1 ATOM 3623 O OD1 . ASN C 3 118 ? 18.461 18.880 -15.893 1.00 57.25 ? 151 ASN C OD1 1 ATOM 3624 N ND2 . ASN C 3 118 ? 17.274 20.789 -15.908 1.00 57.19 ? 151 ASN C ND2 1 ATOM 3625 N N . TRP C 3 119 ? 21.593 20.066 -19.097 1.00 51.63 ? 152 TRP C N 1 ATOM 3626 C CA . TRP C 3 119 ? 22.362 20.421 -20.280 1.00 52.61 ? 152 TRP C CA 1 ATOM 3627 C C . TRP C 3 119 ? 21.917 19.563 -21.445 1.00 53.88 ? 152 TRP C C 1 ATOM 3628 O O . TRP C 3 119 ? 21.267 18.533 -21.253 1.00 54.05 ? 152 TRP C O 1 ATOM 3629 C CB . TRP C 3 119 ? 23.854 20.208 -20.035 1.00 51.75 ? 152 TRP C CB 1 ATOM 3630 C CG . TRP C 3 119 ? 24.236 18.773 -19.869 1.00 50.82 ? 152 TRP C CG 1 ATOM 3631 C CD1 . TRP C 3 119 ? 24.465 17.856 -20.862 1.00 50.43 ? 152 TRP C CD1 1 ATOM 3632 C CD2 . TRP C 3 119 ? 24.431 18.085 -18.635 1.00 49.94 ? 152 TRP C CD2 1 ATOM 3633 N NE1 . TRP C 3 119 ? 24.792 16.640 -20.317 1.00 49.36 ? 152 TRP C NE1 1 ATOM 3634 C CE2 . TRP C 3 119 ? 24.782 16.752 -18.952 1.00 49.74 ? 152 TRP C CE2 1 ATOM 3635 C CE3 . TRP C 3 119 ? 24.348 18.464 -17.290 1.00 49.41 ? 152 TRP C CE3 1 ATOM 3636 C CZ2 . TRP C 3 119 ? 25.049 15.799 -17.971 1.00 49.53 ? 152 TRP C CZ2 1 ATOM 3637 C CZ3 . TRP C 3 119 ? 24.612 17.515 -16.315 1.00 49.33 ? 152 TRP C CZ3 1 ATOM 3638 C CH2 . TRP C 3 119 ? 24.956 16.198 -16.662 1.00 50.33 ? 152 TRP C CH2 1 ATOM 3639 N N . ASN C 3 120 ? 22.279 19.989 -22.651 1.00 55.60 ? 153 ASN C N 1 ATOM 3640 C CA . ASN C 3 120 ? 21.976 19.232 -23.856 1.00 57.53 ? 153 ASN C CA 1 ATOM 3641 C C . ASN C 3 120 ? 23.242 18.930 -24.632 1.00 57.94 ? 153 ASN C C 1 ATOM 3642 O O . ASN C 3 120 ? 24.279 19.557 -24.413 1.00 57.20 ? 153 ASN C O 1 ATOM 3643 C CB . ASN C 3 120 ? 20.985 19.993 -24.737 1.00 58.94 ? 153 ASN C CB 1 ATOM 3644 C CG . ASN C 3 120 ? 21.319 21.467 -24.851 1.00 61.48 ? 153 ASN C CG 1 ATOM 3645 O OD1 . ASN C 3 120 ? 21.178 22.228 -23.890 1.00 63.61 ? 153 ASN C OD1 1 ATOM 3646 N ND2 . ASN C 3 120 ? 21.761 21.881 -26.032 1.00 63.75 ? 153 ASN C ND2 1 ATOM 3647 N N . ASN C 3 121 ? 23.149 17.961 -25.536 1.00 59.30 ? 154 ASN C N 1 ATOM 3648 C CA . ASN C 3 121 ? 24.290 17.545 -26.338 1.00 60.98 ? 154 ASN C CA 1 ATOM 3649 C C . ASN C 3 121 ? 24.024 17.685 -27.829 1.00 62.84 ? 154 ASN C C 1 ATOM 3650 O O . ASN C 3 121 ? 23.017 18.260 -28.236 1.00 63.00 ? 154 ASN C O 1 ATOM 3651 C CB . ASN C 3 121 ? 24.684 16.111 -25.978 1.00 59.82 ? 154 ASN C CB 1 ATOM 3652 C CG . ASN C 3 121 ? 25.319 16.018 -24.599 1.00 58.94 ? 154 ASN C CG 1 ATOM 3653 O OD1 . ASN C 3 121 ? 26.531 16.198 -24.447 1.00 56.60 ? 154 ASN C OD1 1 ATOM 3654 N ND2 . ASN C 3 121 ? 24.497 15.751 -23.584 1.00 57.94 ? 154 ASN C ND2 1 ATOM 3655 N N . ARG C 3 122 ? 24.926 17.143 -28.639 1.00 65.45 ? 155 ARG C N 1 ATOM 3656 C CA . ARG C 3 122 ? 24.867 17.303 -30.088 1.00 67.50 ? 155 ARG C CA 1 ATOM 3657 C C . ARG C 3 122 ? 24.518 16.004 -30.826 1.00 68.38 ? 155 ARG C C 1 ATOM 3658 O O . ARG C 3 122 ? 25.406 15.253 -31.234 1.00 68.99 ? 155 ARG C O 1 ATOM 3659 C CB . ARG C 3 122 ? 26.215 17.835 -30.582 1.00 68.72 ? 155 ARG C CB 1 ATOM 3660 C CG . ARG C 3 122 ? 26.837 18.919 -29.684 1.00 71.03 ? 155 ARG C CG 1 ATOM 3661 C CD . ARG C 3 122 ? 26.489 20.336 -30.148 1.00 72.52 ? 155 ARG C CD 1 ATOM 3662 N NE . ARG C 3 122 ? 26.864 20.549 -31.547 1.00 73.79 ? 155 ARG C NE 1 ATOM 3663 C CZ . ARG C 3 122 ? 27.230 21.724 -32.072 1.00 73.68 ? 155 ARG C CZ 1 ATOM 3664 N NH1 . ARG C 3 122 ? 27.285 22.821 -31.320 1.00 73.38 ? 155 ARG C NH1 1 ATOM 3665 N NH2 . ARG C 3 122 ? 27.545 21.798 -33.360 1.00 73.30 ? 155 ARG C NH2 1 ATOM 3666 N N . PHE C 3 123 ? 23.220 15.744 -30.981 1.00 69.16 ? 156 PHE C N 1 ATOM 3667 C CA . PHE C 3 123 ? 22.707 14.576 -31.725 1.00 69.25 ? 156 PHE C CA 1 ATOM 3668 C C . PHE C 3 123 ? 23.059 13.163 -31.188 1.00 67.80 ? 156 PHE C C 1 ATOM 3669 O O . PHE C 3 123 ? 22.712 12.157 -31.815 1.00 67.92 ? 156 PHE C O 1 ATOM 3670 C CB . PHE C 3 123 ? 23.081 14.696 -33.221 1.00 70.54 ? 156 PHE C CB 1 ATOM 3671 C CG . PHE C 3 123 ? 22.565 13.557 -34.084 1.00 73.48 ? 156 PHE C CG 1 ATOM 3672 C CD1 . PHE C 3 123 ? 21.196 13.399 -34.328 1.00 74.93 ? 156 PHE C CD1 1 ATOM 3673 C CD2 . PHE C 3 123 ? 23.453 12.621 -34.629 1.00 75.09 ? 156 PHE C CD2 1 ATOM 3674 C CE1 . PHE C 3 123 ? 20.721 12.321 -35.096 1.00 76.07 ? 156 PHE C CE1 1 ATOM 3675 C CE2 . PHE C 3 123 ? 22.990 11.540 -35.400 1.00 76.13 ? 156 PHE C CE2 1 ATOM 3676 C CZ . PHE C 3 123 ? 21.621 11.390 -35.633 1.00 76.62 ? 156 PHE C CZ 1 ATOM 3677 N N . LEU C 3 124 ? 23.707 13.056 -30.034 1.00 65.48 ? 157 LEU C N 1 ATOM 3678 C CA . LEU C 3 124 ? 24.069 11.721 -29.560 1.00 63.80 ? 157 LEU C CA 1 ATOM 3679 C C . LEU C 3 124 ? 23.600 11.444 -28.127 1.00 62.18 ? 157 LEU C C 1 ATOM 3680 O O . LEU C 3 124 ? 24.370 10.977 -27.281 1.00 62.89 ? 157 LEU C O 1 ATOM 3681 C CB . LEU C 3 124 ? 25.582 11.495 -29.710 1.00 64.05 ? 157 LEU C CB 1 ATOM 3682 C CG . LEU C 3 124 ? 26.185 11.707 -31.108 1.00 63.41 ? 157 LEU C CG 1 ATOM 3683 C CD1 . LEU C 3 124 ? 27.696 11.738 -31.040 1.00 62.96 ? 157 LEU C CD1 1 ATOM 3684 C CD2 . LEU C 3 124 ? 25.724 10.623 -32.072 1.00 63.81 ? 157 LEU C CD2 1 ATOM 3685 N N . ASN C 3 125 ? 22.325 11.706 -27.870 1.00 59.31 ? 158 ASN C N 1 ATOM 3686 C CA . ASN C 3 125 ? 21.790 11.621 -26.518 1.00 57.03 ? 158 ASN C CA 1 ATOM 3687 C C . ASN C 3 125 ? 22.027 10.283 -25.825 1.00 54.57 ? 158 ASN C C 1 ATOM 3688 O O . ASN C 3 125 ? 22.558 10.231 -24.717 1.00 54.43 ? 158 ASN C O 1 ATOM 3689 C CB . ASN C 3 125 ? 20.289 11.955 -26.523 1.00 58.88 ? 158 ASN C CB 1 ATOM 3690 C CG . ASN C 3 125 ? 19.898 12.944 -25.429 1.00 60.72 ? 158 ASN C CG 1 ATOM 3691 O OD1 . ASN C 3 125 ? 20.395 14.074 -25.392 1.00 61.17 ? 158 ASN C OD1 1 ATOM 3692 N ND2 . ASN C 3 125 ? 18.987 12.528 -24.544 1.00 61.83 ? 158 ASN C ND2 1 ATOM 3693 N N . HIS C 3 126 ? 21.655 9.199 -26.493 1.00 51.43 ? 159 HIS C N 1 ATOM 3694 C CA . HIS C 3 126 ? 21.713 7.878 -25.880 1.00 48.15 ? 159 HIS C CA 1 ATOM 3695 C C . HIS C 3 126 ? 23.046 7.142 -26.063 1.00 45.67 ? 159 HIS C C 1 ATOM 3696 O O . HIS C 3 126 ? 23.203 6.004 -25.599 1.00 45.33 ? 159 HIS C O 1 ATOM 3697 C CB . HIS C 3 126 ? 20.557 7.027 -26.405 1.00 49.53 ? 159 HIS C CB 1 ATOM 3698 C CG . HIS C 3 126 ? 20.538 6.894 -27.898 1.00 50.56 ? 159 HIS C CG 1 ATOM 3699 N ND1 . HIS C 3 126 ? 20.374 7.970 -28.748 1.00 50.14 ? 159 HIS C ND1 1 ATOM 3700 C CD2 . HIS C 3 126 ? 20.661 5.804 -28.692 1.00 50.30 ? 159 HIS C CD2 1 ATOM 3701 C CE1 . HIS C 3 126 ? 20.395 7.546 -29.998 1.00 49.32 ? 159 HIS C CE1 1 ATOM 3702 N NE2 . HIS C 3 126 ? 20.571 6.237 -29.991 1.00 49.66 ? 159 HIS C NE2 1 ATOM 3703 N N . CYS C 3 127 ? 24.001 7.784 -26.729 1.00 42.01 ? 160 CYS C N 1 ATOM 3704 C CA . CYS C 3 127 ? 25.320 7.193 -26.930 1.00 39.05 ? 160 CYS C CA 1 ATOM 3705 C C . CYS C 3 127 ? 26.350 7.801 -26.000 1.00 37.09 ? 160 CYS C C 1 ATOM 3706 O O . CYS C 3 127 ? 27.499 7.350 -25.945 1.00 36.13 ? 160 CYS C O 1 ATOM 3707 C CB . CYS C 3 127 ? 25.786 7.397 -28.364 1.00 39.02 ? 160 CYS C CB 1 ATOM 3708 S SG . CYS C 3 127 ? 24.955 6.363 -29.597 1.00 40.44 ? 160 CYS C SG 1 ATOM 3709 N N . LEU C 3 128 ? 25.932 8.819 -25.263 1.00 35.45 ? 161 LEU C N 1 ATOM 3710 C CA . LEU C 3 128 ? 26.849 9.540 -24.403 1.00 34.74 ? 161 LEU C CA 1 ATOM 3711 C C . LEU C 3 128 ? 26.822 9.123 -22.949 1.00 34.20 ? 161 LEU C C 1 ATOM 3712 O O . LEU C 3 128 ? 25.873 8.523 -22.462 1.00 34.18 ? 161 LEU C O 1 ATOM 3713 C CB . LEU C 3 128 ? 26.607 11.041 -24.520 1.00 34.76 ? 161 LEU C CB 1 ATOM 3714 C CG . LEU C 3 128 ? 26.985 11.638 -25.875 1.00 34.16 ? 161 LEU C CG 1 ATOM 3715 C CD1 . LEU C 3 128 ? 26.575 13.083 -25.913 1.00 34.23 ? 161 LEU C CD1 1 ATOM 3716 C CD2 . LEU C 3 128 ? 28.490 11.497 -26.115 1.00 35.27 ? 161 LEU C CD2 1 ATOM 3717 N N . GLU C 3 129 ? 27.906 9.455 -22.272 1.00 33.98 ? 162 GLU C N 1 ATOM 3718 C CA . GLU C 3 129 ? 28.127 9.125 -20.880 1.00 33.75 ? 162 GLU C CA 1 ATOM 3719 C C . GLU C 3 129 ? 28.663 10.461 -20.378 1.00 33.82 ? 162 GLU C C 1 ATOM 3720 O O . GLU C 3 129 ? 29.365 11.154 -21.122 1.00 33.50 ? 162 GLU C O 1 ATOM 3721 C CB . GLU C 3 129 ? 29.198 8.045 -20.815 1.00 33.74 ? 162 GLU C CB 1 ATOM 3722 C CG . GLU C 3 129 ? 29.400 7.385 -19.486 1.00 36.63 ? 162 GLU C CG 1 ATOM 3723 C CD . GLU C 3 129 ? 30.361 6.206 -19.585 1.00 40.02 ? 162 GLU C CD 1 ATOM 3724 O OE1 . GLU C 3 129 ? 31.562 6.423 -19.905 1.00 38.98 ? 162 GLU C OE1 1 ATOM 3725 O OE2 . GLU C 3 129 ? 29.906 5.060 -19.346 1.00 42.18 ? 162 GLU C OE2 1 ATOM 3726 N N . HIS C 3 130 ? 28.335 10.843 -19.149 1.00 33.30 ? 163 HIS C N 1 ATOM 3727 C CA . HIS C 3 130 ? 28.785 12.143 -18.665 1.00 32.27 ? 163 HIS C CA 1 ATOM 3728 C C . HIS C 3 130 ? 29.469 12.129 -17.323 1.00 32.97 ? 163 HIS C C 1 ATOM 3729 O O . HIS C 3 130 ? 29.203 11.261 -16.486 1.00 33.05 ? 163 HIS C O 1 ATOM 3730 C CB . HIS C 3 130 ? 27.612 13.097 -18.599 1.00 31.01 ? 163 HIS C CB 1 ATOM 3731 C CG . HIS C 3 130 ? 26.860 13.190 -19.878 1.00 28.90 ? 163 HIS C CG 1 ATOM 3732 N ND1 . HIS C 3 130 ? 25.857 12.307 -20.212 1.00 28.97 ? 163 HIS C ND1 1 ATOM 3733 C CD2 . HIS C 3 130 ? 26.992 14.031 -20.927 1.00 28.60 ? 163 HIS C CD2 1 ATOM 3734 C CE1 . HIS C 3 130 ? 25.390 12.610 -21.410 1.00 29.10 ? 163 HIS C CE1 1 ATOM 3735 N NE2 . HIS C 3 130 ? 26.064 13.652 -21.866 1.00 28.96 ? 163 HIS C NE2 1 ATOM 3736 N N . LEU C 3 131 ? 30.344 13.115 -17.137 1.00 33.68 ? 164 LEU C N 1 ATOM 3737 C CA . LEU C 3 131 ? 31.078 13.322 -15.897 1.00 34.93 ? 164 LEU C CA 1 ATOM 3738 C C . LEU C 3 131 ? 30.849 14.752 -15.424 1.00 34.51 ? 164 LEU C C 1 ATOM 3739 O O . LEU C 3 131 ? 31.315 15.703 -16.046 1.00 34.46 ? 164 LEU C O 1 ATOM 3740 C CB . LEU C 3 131 ? 32.570 13.077 -16.118 1.00 36.22 ? 164 LEU C CB 1 ATOM 3741 C CG . LEU C 3 131 ? 33.515 13.376 -14.949 1.00 39.45 ? 164 LEU C CG 1 ATOM 3742 C CD1 . LEU C 3 131 ? 33.061 12.637 -13.683 1.00 41.21 ? 164 LEU C CD1 1 ATOM 3743 C CD2 . LEU C 3 131 ? 34.957 13.002 -15.317 1.00 40.66 ? 164 LEU C CD2 1 ATOM 3744 N N . VAL C 3 132 ? 30.119 14.897 -14.327 1.00 34.97 ? 165 VAL C N 1 ATOM 3745 C CA . VAL C 3 132 ? 29.793 16.219 -13.791 1.00 35.14 ? 165 VAL C CA 1 ATOM 3746 C C . VAL C 3 132 ? 30.810 16.596 -12.731 1.00 35.48 ? 165 VAL C C 1 ATOM 3747 O O . VAL C 3 132 ? 31.275 15.742 -11.979 1.00 35.67 ? 165 VAL C O 1 ATOM 3748 C CB . VAL C 3 132 ? 28.375 16.243 -13.164 1.00 34.94 ? 165 VAL C CB 1 ATOM 3749 C CG1 . VAL C 3 132 ? 28.119 17.571 -12.473 1.00 33.64 ? 165 VAL C CG1 1 ATOM 3750 C CG2 . VAL C 3 132 ? 27.308 15.978 -14.233 1.00 33.43 ? 165 VAL C CG2 1 ATOM 3751 N N . GLN C 3 133 ? 31.142 17.879 -12.666 1.00 36.64 ? 166 GLN C N 1 ATOM 3752 C CA . GLN C 3 133 ? 32.162 18.352 -11.744 1.00 37.75 ? 166 GLN C CA 1 ATOM 3753 C C . GLN C 3 133 ? 31.744 19.651 -11.058 1.00 37.77 ? 166 GLN C C 1 ATOM 3754 O O . GLN C 3 133 ? 31.266 20.569 -11.708 1.00 37.09 ? 166 GLN C O 1 ATOM 3755 C CB . GLN C 3 133 ? 33.447 18.577 -12.527 1.00 38.52 ? 166 GLN C CB 1 ATOM 3756 C CG . GLN C 3 133 ? 34.682 18.141 -11.802 1.00 41.06 ? 166 GLN C CG 1 ATOM 3757 C CD . GLN C 3 133 ? 35.917 18.267 -12.662 1.00 42.38 ? 166 GLN C CD 1 ATOM 3758 O OE1 . GLN C 3 133 ? 36.283 19.369 -13.088 1.00 43.23 ? 166 GLN C OE1 1 ATOM 3759 N NE2 . GLN C 3 133 ? 36.575 17.137 -12.921 1.00 41.06 ? 166 GLN C NE2 1 ATOM 3760 N N . TYR C 3 134 ? 31.934 19.725 -9.746 1.00 38.27 ? 167 TYR C N 1 ATOM 3761 C CA . TYR C 3 134 ? 31.555 20.912 -8.986 1.00 38.27 ? 167 TYR C CA 1 ATOM 3762 C C . TYR C 3 134 ? 32.467 21.183 -7.798 1.00 38.79 ? 167 TYR C C 1 ATOM 3763 O O . TYR C 3 134 ? 33.225 20.311 -7.364 1.00 39.74 ? 167 TYR C O 1 ATOM 3764 C CB . TYR C 3 134 ? 30.114 20.797 -8.484 1.00 38.22 ? 167 TYR C CB 1 ATOM 3765 C CG . TYR C 3 134 ? 29.877 19.696 -7.467 1.00 37.72 ? 167 TYR C CG 1 ATOM 3766 C CD1 . TYR C 3 134 ? 29.636 18.389 -7.882 1.00 37.80 ? 167 TYR C CD1 1 ATOM 3767 C CD2 . TYR C 3 134 ? 29.871 19.963 -6.093 1.00 36.40 ? 167 TYR C CD2 1 ATOM 3768 C CE1 . TYR C 3 134 ? 29.394 17.373 -6.964 1.00 39.26 ? 167 TYR C CE1 1 ATOM 3769 C CE2 . TYR C 3 134 ? 29.635 18.944 -5.153 1.00 37.05 ? 167 TYR C CE2 1 ATOM 3770 C CZ . TYR C 3 134 ? 29.398 17.647 -5.601 1.00 39.42 ? 167 TYR C CZ 1 ATOM 3771 O OH . TYR C 3 134 ? 29.149 16.607 -4.717 1.00 39.87 ? 167 TYR C OH 1 ATOM 3772 N N . ARG C 3 135 ? 32.362 22.406 -7.277 1.00 41.34 ? 168 ARG C N 1 ATOM 3773 C CA . ARG C 3 135 ? 33.128 22.876 -6.127 1.00 42.45 ? 168 ARG C CA 1 ATOM 3774 C C . ARG C 3 135 ? 32.649 24.253 -5.714 1.00 43.71 ? 168 ARG C C 1 ATOM 3775 O O . ARG C 3 135 ? 31.874 24.902 -6.427 1.00 43.19 ? 168 ARG C O 1 ATOM 3776 C CB . ARG C 3 135 ? 34.615 22.968 -6.451 1.00 42.97 ? 168 ARG C CB 1 ATOM 3777 C CG . ARG C 3 135 ? 34.998 24.075 -7.433 1.00 44.74 ? 168 ARG C CG 1 ATOM 3778 C CD . ARG C 3 135 ? 36.496 23.968 -7.709 1.00 48.53 ? 168 ARG C CD 1 ATOM 3779 N NE . ARG C 3 135 ? 37.076 25.074 -8.476 1.00 49.00 ? 168 ARG C NE 1 ATOM 3780 C CZ . ARG C 3 135 ? 37.650 26.150 -7.936 1.00 49.50 ? 168 ARG C CZ 1 ATOM 3781 N NH1 . ARG C 3 135 ? 37.726 26.304 -6.612 1.00 47.83 ? 168 ARG C NH1 1 ATOM 3782 N NH2 . ARG C 3 135 ? 38.155 27.081 -8.730 1.00 51.19 ? 168 ARG C NH2 1 ATOM 3783 N N . THR C 3 136 ? 33.138 24.682 -4.555 1.00 43.85 ? 169 THR C N 1 ATOM 3784 C CA . THR C 3 136 ? 32.854 25.995 -3.996 1.00 45.68 ? 169 THR C CA 1 ATOM 3785 C C . THR C 3 136 ? 34.102 26.832 -4.199 1.00 46.32 ? 169 THR C C 1 ATOM 3786 O O . THR C 3 136 ? 35.185 26.289 -4.431 1.00 45.97 ? 169 THR C O 1 ATOM 3787 C CB . THR C 3 136 ? 32.564 25.917 -2.482 1.00 46.26 ? 169 THR C CB 1 ATOM 3788 O OG1 . THR C 3 136 ? 33.712 25.395 -1.797 1.00 45.56 ? 169 THR C OG1 1 ATOM 3789 C CG2 . THR C 3 136 ? 31.362 25.023 -2.207 1.00 45.40 ? 169 THR C CG2 1 ATOM 3790 N N . ASP C 3 137 ? 33.957 28.148 -4.093 1.00 47.40 ? 170 ASP C N 1 ATOM 3791 C CA . ASP C 3 137 ? 35.083 29.043 -4.313 1.00 49.02 ? 170 ASP C CA 1 ATOM 3792 C C . ASP C 3 137 ? 36.200 28.870 -3.297 1.00 48.92 ? 170 ASP C C 1 ATOM 3793 O O . ASP C 3 137 ? 37.230 29.529 -3.387 1.00 49.25 ? 170 ASP C O 1 ATOM 3794 C CB . ASP C 3 137 ? 34.610 30.496 -4.382 1.00 49.24 ? 170 ASP C CB 1 ATOM 3795 C CG . ASP C 3 137 ? 33.888 30.806 -5.689 1.00 51.86 ? 170 ASP C CG 1 ATOM 3796 O OD1 . ASP C 3 137 ? 32.951 30.056 -6.036 1.00 54.91 ? 170 ASP C OD1 1 ATOM 3797 O OD2 . ASP C 3 137 ? 34.257 31.783 -6.380 1.00 52.51 ? 170 ASP C OD2 1 ATOM 3798 N N . TRP C 3 138 ? 36.010 27.959 -2.353 1.00 50.35 ? 171 TRP C N 1 ATOM 3799 C CA . TRP C 3 138 ? 37.016 27.714 -1.331 1.00 52.12 ? 171 TRP C CA 1 ATOM 3800 C C . TRP C 3 138 ? 37.774 26.411 -1.558 1.00 52.73 ? 171 TRP C C 1 ATOM 3801 O O . TRP C 3 138 ? 38.891 26.240 -1.071 1.00 52.34 ? 171 TRP C O 1 ATOM 3802 C CB . TRP C 3 138 ? 36.364 27.730 0.054 1.00 53.10 ? 171 TRP C CB 1 ATOM 3803 C CG . TRP C 3 138 ? 35.803 29.081 0.396 1.00 54.65 ? 171 TRP C CG 1 ATOM 3804 C CD1 . TRP C 3 138 ? 34.483 29.420 0.532 1.00 55.11 ? 171 TRP C CD1 1 ATOM 3805 C CD2 . TRP C 3 138 ? 36.551 30.288 0.594 1.00 54.73 ? 171 TRP C CD2 1 ATOM 3806 N NE1 . TRP C 3 138 ? 34.366 30.763 0.811 1.00 55.14 ? 171 TRP C NE1 1 ATOM 3807 C CE2 . TRP C 3 138 ? 35.620 31.319 0.852 1.00 55.07 ? 171 TRP C CE2 1 ATOM 3808 C CE3 . TRP C 3 138 ? 37.918 30.597 0.580 1.00 54.41 ? 171 TRP C CE3 1 ATOM 3809 C CZ2 . TRP C 3 138 ? 36.013 32.639 1.094 1.00 55.44 ? 171 TRP C CZ2 1 ATOM 3810 C CZ3 . TRP C 3 138 ? 38.306 31.907 0.818 1.00 55.25 ? 171 TRP C CZ3 1 ATOM 3811 C CH2 . TRP C 3 138 ? 37.356 32.912 1.071 1.00 55.68 ? 171 TRP C CH2 1 ATOM 3812 N N . ASP C 3 139 ? 37.158 25.506 -2.314 1.00 53.55 ? 172 ASP C N 1 ATOM 3813 C CA . ASP C 3 139 ? 37.729 24.196 -2.602 1.00 53.64 ? 172 ASP C CA 1 ATOM 3814 C C . ASP C 3 139 ? 38.993 24.300 -3.425 1.00 53.03 ? 172 ASP C C 1 ATOM 3815 O O . ASP C 3 139 ? 39.061 25.079 -4.371 1.00 53.02 ? 172 ASP C O 1 ATOM 3816 C CB . ASP C 3 139 ? 36.718 23.344 -3.366 1.00 54.63 ? 172 ASP C CB 1 ATOM 3817 C CG . ASP C 3 139 ? 35.500 23.012 -2.536 1.00 56.42 ? 172 ASP C CG 1 ATOM 3818 O OD1 . ASP C 3 139 ? 35.663 22.742 -1.327 1.00 57.79 ? 172 ASP C OD1 1 ATOM 3819 O OD2 . ASP C 3 139 ? 34.378 23.016 -3.089 1.00 57.92 ? 172 ASP C OD2 1 ATOM 3820 N N . HIS C 3 140 ? 39.990 23.503 -3.067 1.00 52.57 ? 173 HIS C N 1 ATOM 3821 C CA . HIS C 3 140 ? 41.242 23.493 -3.808 1.00 52.54 ? 173 HIS C CA 1 ATOM 3822 C C . HIS C 3 140 ? 41.232 22.482 -4.946 1.00 52.48 ? 173 HIS C C 1 ATOM 3823 O O . HIS C 3 140 ? 42.145 22.459 -5.779 1.00 52.59 ? 173 HIS C O 1 ATOM 3824 C CB . HIS C 3 140 ? 42.412 23.234 -2.867 1.00 53.10 ? 173 HIS C CB 1 ATOM 3825 C CG . HIS C 3 140 ? 42.953 24.475 -2.236 1.00 53.39 ? 173 HIS C CG 1 ATOM 3826 N ND1 . HIS C 3 140 ? 42.178 25.318 -1.472 1.00 53.53 ? 173 HIS C ND1 1 ATOM 3827 C CD2 . HIS C 3 140 ? 44.189 25.022 -2.266 1.00 53.32 ? 173 HIS C CD2 1 ATOM 3828 C CE1 . HIS C 3 140 ? 42.914 26.332 -1.056 1.00 53.39 ? 173 HIS C CE1 1 ATOM 3829 N NE2 . HIS C 3 140 ? 44.138 26.176 -1.526 1.00 53.85 ? 173 HIS C NE2 1 ATOM 3830 N N . SER C 3 141 ? 40.185 21.661 -4.984 1.00 52.13 ? 174 SER C N 1 ATOM 3831 C CA . SER C 3 141 ? 40.012 20.671 -6.039 1.00 50.99 ? 174 SER C CA 1 ATOM 3832 C C . SER C 3 141 ? 38.539 20.365 -6.275 1.00 50.66 ? 174 SER C C 1 ATOM 3833 O O . SER C 3 141 ? 37.725 20.378 -5.339 1.00 50.23 ? 174 SER C O 1 ATOM 3834 C CB . SER C 3 141 ? 40.721 19.382 -5.656 1.00 50.62 ? 174 SER C CB 1 ATOM 3835 O OG . SER C 3 141 ? 40.097 18.814 -4.519 1.00 50.81 ? 174 SER C OG 1 ATOM 3836 N N . TRP C 3 142 ? 38.207 20.073 -7.530 1.00 50.36 ? 175 TRP C N 1 ATOM 3837 C CA . TRP C 3 142 ? 36.844 19.702 -7.912 1.00 49.43 ? 175 TRP C CA 1 ATOM 3838 C C . TRP C 3 142 ? 36.466 18.318 -7.385 1.00 48.41 ? 175 TRP C C 1 ATOM 3839 O O . TRP C 3 142 ? 37.337 17.496 -7.071 1.00 48.41 ? 175 TRP C O 1 ATOM 3840 C CB . TRP C 3 142 ? 36.702 19.674 -9.430 1.00 49.21 ? 175 TRP C CB 1 ATOM 3841 C CG . TRP C 3 142 ? 36.942 20.970 -10.105 1.00 49.99 ? 175 TRP C CG 1 ATOM 3842 C CD1 . TRP C 3 142 ? 38.150 21.551 -10.368 1.00 49.94 ? 175 TRP C CD1 1 ATOM 3843 C CD2 . TRP C 3 142 ? 35.946 21.849 -10.641 1.00 50.79 ? 175 TRP C CD2 1 ATOM 3844 N NE1 . TRP C 3 142 ? 37.967 22.743 -11.030 1.00 50.11 ? 175 TRP C NE1 1 ATOM 3845 C CE2 . TRP C 3 142 ? 36.623 22.949 -11.213 1.00 50.33 ? 175 TRP C CE2 1 ATOM 3846 C CE3 . TRP C 3 142 ? 34.542 21.813 -10.693 1.00 50.62 ? 175 TRP C CE3 1 ATOM 3847 C CZ2 . TRP C 3 142 ? 35.947 24.005 -11.829 1.00 49.69 ? 175 TRP C CZ2 1 ATOM 3848 C CZ3 . TRP C 3 142 ? 33.869 22.864 -11.308 1.00 49.83 ? 175 TRP C CZ3 1 ATOM 3849 C CH2 . TRP C 3 142 ? 34.575 23.944 -11.867 1.00 49.82 ? 175 TRP C CH2 1 ATOM 3850 N N . THR C 3 143 ? 35.163 18.071 -7.286 1.00 46.61 ? 176 THR C N 1 ATOM 3851 C CA . THR C 3 143 ? 34.662 16.740 -6.951 1.00 45.10 ? 176 THR C CA 1 ATOM 3852 C C . THR C 3 143 ? 33.775 16.298 -8.124 1.00 44.25 ? 176 THR C C 1 ATOM 3853 O O . THR C 3 143 ? 32.941 17.066 -8.611 1.00 43.77 ? 176 THR C O 1 ATOM 3854 C CB . THR C 3 143 ? 33.879 16.719 -5.607 1.00 44.21 ? 176 THR C CB 1 ATOM 3855 O OG1 . THR C 3 143 ? 32.513 17.104 -5.824 1.00 43.01 ? 176 THR C OG1 1 ATOM 3856 C CG2 . THR C 3 143 ? 34.520 17.668 -4.606 1.00 43.35 ? 176 THR C CG2 1 ATOM 3857 N N . GLU C 3 144 ? 33.972 15.074 -8.600 1.00 42.73 ? 177 GLU C N 1 ATOM 3858 C CA . GLU C 3 144 ? 33.208 14.625 -9.750 1.00 41.34 ? 177 GLU C CA 1 ATOM 3859 C C . GLU C 3 144 ? 32.343 13.409 -9.502 1.00 38.65 ? 177 GLU C C 1 ATOM 3860 O O . GLU C 3 144 ? 32.721 12.476 -8.804 1.00 37.05 ? 177 GLU C O 1 ATOM 3861 C CB . GLU C 3 144 ? 34.119 14.397 -10.962 1.00 42.96 ? 177 GLU C CB 1 ATOM 3862 C CG . GLU C 3 144 ? 35.330 13.525 -10.693 1.00 47.09 ? 177 GLU C CG 1 ATOM 3863 C CD . GLU C 3 144 ? 36.117 13.215 -11.955 1.00 51.24 ? 177 GLU C CD 1 ATOM 3864 O OE1 . GLU C 3 144 ? 36.428 14.161 -12.719 1.00 52.84 ? 177 GLU C OE1 1 ATOM 3865 O OE2 . GLU C 3 144 ? 36.430 12.022 -12.174 1.00 52.38 ? 177 GLU C OE2 1 ATOM 3866 N N . GLN C 3 145 ? 31.154 13.459 -10.077 1.00 36.96 ? 178 GLN C N 1 ATOM 3867 C CA . GLN C 3 145 ? 30.231 12.350 -10.043 1.00 36.56 ? 178 GLN C CA 1 ATOM 3868 C C . GLN C 3 145 ? 29.870 12.020 -11.491 1.00 36.94 ? 178 GLN C C 1 ATOM 3869 O O . GLN C 3 145 ? 29.781 12.911 -12.347 1.00 36.77 ? 178 GLN C O 1 ATOM 3870 C CB . GLN C 3 145 ? 28.984 12.727 -9.252 1.00 36.07 ? 178 GLN C CB 1 ATOM 3871 C CG . GLN C 3 145 ? 29.265 13.380 -7.909 1.00 35.16 ? 178 GLN C CG 1 ATOM 3872 C CD . GLN C 3 145 ? 29.959 12.451 -6.934 1.00 34.93 ? 178 GLN C CD 1 ATOM 3873 O OE1 . GLN C 3 145 ? 30.371 11.340 -7.292 1.00 35.33 ? 178 GLN C OE1 1 ATOM 3874 N NE2 . GLN C 3 145 ? 30.101 12.904 -5.689 1.00 33.16 ? 178 GLN C NE2 1 ATOM 3875 N N . SER C 3 146 ? 29.662 10.736 -11.762 1.00 36.90 ? 179 SER C N 1 ATOM 3876 C CA . SER C 3 146 ? 29.292 10.285 -13.098 1.00 36.81 ? 179 SER C CA 1 ATOM 3877 C C . SER C 3 146 ? 27.805 9.957 -13.177 1.00 37.19 ? 179 SER C C 1 ATOM 3878 O O . SER C 3 146 ? 27.320 9.060 -12.487 1.00 35.22 ? 179 SER C O 1 ATOM 3879 C CB . SER C 3 146 ? 30.122 9.064 -13.500 1.00 36.84 ? 179 SER C CB 1 ATOM 3880 O OG . SER C 3 146 ? 30.163 8.108 -12.455 1.00 34.62 ? 179 SER C OG 1 ATOM 3881 N N . VAL C 3 147 ? 27.087 10.689 -14.023 1.00 38.68 ? 180 VAL C N 1 ATOM 3882 C CA . VAL C 3 147 ? 25.959 10.127 -14.756 1.00 41.76 ? 180 VAL C CA 1 ATOM 3883 C C . VAL C 3 147 ? 26.431 9.320 -15.961 1.00 44.84 ? 180 VAL C C 1 ATOM 3884 O O . VAL C 3 147 ? 27.279 9.773 -16.729 1.00 46.12 ? 180 VAL C O 1 ATOM 3885 C CB . VAL C 3 147 ? 24.992 11.226 -15.232 1.00 40.63 ? 180 VAL C CB 1 ATOM 3886 C CG1 . VAL C 3 147 ? 23.558 10.717 -15.210 1.00 41.89 ? 180 VAL C CG1 1 ATOM 3887 C CG2 . VAL C 3 147 ? 25.137 12.471 -14.370 1.00 41.01 ? 180 VAL C CG2 1 ATOM 3888 N N . ASP C 3 148 ? 25.876 8.123 -16.119 1.00 48.18 ? 181 ASP C N 1 ATOM 3889 C CA . ASP C 3 148 ? 25.523 7.611 -17.438 1.00 51.48 ? 181 ASP C CA 1 ATOM 3890 C C . ASP C 3 148 ? 24.643 8.599 -18.196 1.00 52.40 ? 181 ASP C C 1 ATOM 3891 O O . ASP C 3 148 ? 24.276 9.649 -17.669 1.00 53.56 ? 181 ASP C O 1 ATOM 3892 C CB . ASP C 3 148 ? 24.813 6.261 -17.316 1.00 53.96 ? 181 ASP C CB 1 ATOM 3893 C CG . ASP C 3 148 ? 25.715 5.176 -16.761 1.00 56.92 ? 181 ASP C CG 1 ATOM 3894 O OD1 . ASP C 3 148 ? 26.946 5.269 -16.952 1.00 58.62 ? 181 ASP C OD1 1 ATOM 3895 O OD2 . ASP C 3 148 ? 25.194 4.230 -16.134 1.00 58.38 ? 181 ASP C OD2 1 ATOM 3896 N N . TYR C 3 149 ? 24.308 8.255 -19.435 1.00 53.06 ? 182 TYR C N 1 ATOM 3897 C CA . TYR C 3 149 ? 23.449 9.098 -20.258 1.00 53.61 ? 182 TYR C CA 1 ATOM 3898 C C . TYR C 3 149 ? 22.165 9.010 -19.440 1.00 53.51 ? 182 TYR C C 1 ATOM 3899 O O . TYR C 3 149 ? 21.226 8.308 -19.813 1.00 52.66 ? 182 TYR C O 1 ATOM 3900 C CB . TYR C 3 149 ? 23.253 8.474 -21.641 1.00 54.53 ? 182 TYR C CB 1 ATOM 3901 C CG . TYR C 3 149 ? 22.044 7.571 -21.740 1.00 56.37 ? 182 TYR C CG 1 ATOM 3902 C CD1 . TYR C 3 149 ? 20.833 8.050 -22.222 1.00 57.17 ? 182 TYR C CD1 1 ATOM 3903 C CD2 . TYR C 3 149 ? 22.114 6.240 -21.352 1.00 57.81 ? 182 TYR C CD2 1 ATOM 3904 C CE1 . TYR C 3 149 ? 19.725 7.228 -22.314 1.00 56.82 ? 182 TYR C CE1 1 ATOM 3905 C CE2 . TYR C 3 149 ? 21.012 5.411 -21.441 1.00 57.35 ? 182 TYR C CE2 1 ATOM 3906 C CZ . TYR C 3 149 ? 19.820 5.910 -21.922 1.00 57.27 ? 182 TYR C CZ 1 ATOM 3907 O OH . TYR C 3 149 ? 18.720 5.088 -22.012 1.00 55.59 ? 182 TYR C OH 1 ATOM 3908 N N . ARG C 3 150 ? 22.143 9.740 -18.318 1.00 54.70 ? 183 ARG C N 1 ATOM 3909 C CA . ARG C 3 150 ? 21.456 10.955 -17.897 1.00 56.93 ? 183 ARG C CA 1 ATOM 3910 C C . ARG C 3 150 ? 22.228 12.195 -18.335 1.00 58.23 ? 183 ARG C C 1 ATOM 3911 O O . ARG C 3 150 ? 23.458 12.218 -18.294 1.00 59.55 ? 183 ARG C O 1 ATOM 3912 C CB . ARG C 3 150 ? 21.273 10.960 -16.378 1.00 56.87 ? 183 ARG C CB 1 ATOM 3913 C CG . ARG C 3 150 ? 20.189 10.016 -15.881 1.00 56.09 ? 183 ARG C CG 1 ATOM 3914 C CD . ARG C 3 150 ? 20.491 9.521 -14.475 1.00 53.80 ? 183 ARG C CD 1 ATOM 3915 N NE . ARG C 3 150 ? 19.367 8.786 -13.902 1.00 52.86 ? 183 ARG C NE 1 ATOM 3916 C CZ . ARG C 3 150 ? 19.420 7.511 -13.529 1.00 52.30 ? 183 ARG C CZ 1 ATOM 3917 N NH1 . ARG C 3 150 ? 20.545 6.824 -13.670 1.00 51.63 ? 183 ARG C NH1 1 ATOM 3918 N NH2 . ARG C 3 150 ? 18.348 6.923 -13.016 1.00 53.45 ? 183 ARG C NH2 1 ATOM 3919 N N . HIS C 3 151 ? 21.498 13.223 -18.754 1.00 59.11 ? 184 HIS C N 1 ATOM 3920 C CA . HIS C 3 151 ? 22.003 14.590 -18.709 1.00 59.37 ? 184 HIS C CA 1 ATOM 3921 C C . HIS C 3 151 ? 21.286 15.408 -17.641 1.00 57.85 ? 184 HIS C C 1 ATOM 3922 O O . HIS C 3 151 ? 20.740 16.474 -17.924 1.00 57.19 ? 184 HIS C O 1 ATOM 3923 C CB . HIS C 3 151 ? 21.852 15.262 -20.076 1.00 60.78 ? 184 HIS C CB 1 ATOM 3924 C CG . HIS C 3 151 ? 20.548 14.971 -20.751 1.00 63.43 ? 184 HIS C CG 1 ATOM 3925 N ND1 . HIS C 3 151 ? 19.899 13.761 -20.628 1.00 65.37 ? 184 HIS C ND1 1 ATOM 3926 C CD2 . HIS C 3 151 ? 19.772 15.733 -21.558 1.00 65.18 ? 184 HIS C CD2 1 ATOM 3927 C CE1 . HIS C 3 151 ? 18.780 13.791 -21.328 1.00 66.27 ? 184 HIS C CE1 1 ATOM 3928 N NE2 . HIS C 3 151 ? 18.679 14.976 -21.902 1.00 66.30 ? 184 HIS C NE2 1 ATOM 3929 N N . LYS C 3 152 ? 21.292 14.902 -16.412 1.00 56.21 ? 185 LYS C N 1 ATOM 3930 C CA . LYS C 3 152 ? 20.592 15.555 -15.310 1.00 54.57 ? 185 LYS C CA 1 ATOM 3931 C C . LYS C 3 152 ? 21.186 15.197 -13.933 1.00 52.98 ? 185 LYS C C 1 ATOM 3932 O O . LYS C 3 152 ? 20.770 14.248 -13.266 1.00 52.60 ? 185 LYS C O 1 ATOM 3933 C CB . LYS C 3 152 ? 19.101 15.192 -15.378 1.00 54.17 ? 185 LYS C CB 1 ATOM 3934 C CG . LYS C 3 152 ? 18.226 15.831 -14.310 1.00 54.56 ? 185 LYS C CG 1 ATOM 3935 C CD . LYS C 3 152 ? 16.748 15.592 -14.577 1.00 56.28 ? 185 LYS C CD 1 ATOM 3936 C CE . LYS C 3 152 ? 16.292 16.318 -15.850 1.00 57.72 ? 185 LYS C CE 1 ATOM 3937 N NZ . LYS C 3 152 ? 14.807 16.315 -16.030 1.00 58.09 ? 185 LYS C NZ 1 ATOM 3938 N N . PHE C 3 153 ? 22.169 15.981 -13.525 1.00 51.29 ? 186 PHE C N 1 ATOM 3939 C CA . PHE C 3 153 ? 22.795 15.831 -12.224 1.00 49.77 ? 186 PHE C CA 1 ATOM 3940 C C . PHE C 3 153 ? 21.968 16.590 -11.192 1.00 49.43 ? 186 PHE C C 1 ATOM 3941 O O . PHE C 3 153 ? 21.098 17.394 -11.548 1.00 49.32 ? 186 PHE C O 1 ATOM 3942 C CB . PHE C 3 153 ? 24.223 16.392 -12.278 1.00 49.29 ? 186 PHE C CB 1 ATOM 3943 C CG . PHE C 3 153 ? 24.965 16.296 -10.978 1.00 48.16 ? 186 PHE C CG 1 ATOM 3944 C CD1 . PHE C 3 153 ? 25.072 17.397 -10.144 1.00 48.03 ? 186 PHE C CD1 1 ATOM 3945 C CD2 . PHE C 3 153 ? 25.544 15.097 -10.581 1.00 47.85 ? 186 PHE C CD2 1 ATOM 3946 C CE1 . PHE C 3 153 ? 25.743 17.299 -8.930 1.00 49.06 ? 186 PHE C CE1 1 ATOM 3947 C CE2 . PHE C 3 153 ? 26.218 14.995 -9.373 1.00 48.02 ? 186 PHE C CE2 1 ATOM 3948 C CZ . PHE C 3 153 ? 26.320 16.094 -8.546 1.00 47.95 ? 186 PHE C CZ 1 ATOM 3949 N N . SER C 3 154 ? 22.251 16.346 -9.915 1.00 48.73 ? 187 SER C N 1 ATOM 3950 C CA . SER C 3 154 ? 21.523 17.003 -8.853 1.00 47.63 ? 187 SER C CA 1 ATOM 3951 C C . SER C 3 154 ? 22.245 16.904 -7.516 1.00 46.75 ? 187 SER C C 1 ATOM 3952 O O . SER C 3 154 ? 22.444 15.811 -6.994 1.00 47.39 ? 187 SER C O 1 ATOM 3953 C CB . SER C 3 154 ? 20.140 16.370 -8.746 1.00 47.85 ? 187 SER C CB 1 ATOM 3954 O OG . SER C 3 154 ? 19.445 16.889 -7.633 1.00 50.76 ? 187 SER C OG 1 ATOM 3955 N N . LEU C 3 155 ? 22.638 18.046 -6.963 1.00 45.85 ? 188 LEU C N 1 ATOM 3956 C CA . LEU C 3 155 ? 23.242 18.083 -5.637 1.00 45.83 ? 188 LEU C CA 1 ATOM 3957 C C . LEU C 3 155 ? 22.157 18.004 -4.585 1.00 46.41 ? 188 LEU C C 1 ATOM 3958 O O . LEU C 3 155 ? 21.283 18.870 -4.525 1.00 47.11 ? 188 LEU C O 1 ATOM 3959 C CB . LEU C 3 155 ? 24.018 19.376 -5.420 1.00 45.79 ? 188 LEU C CB 1 ATOM 3960 C CG . LEU C 3 155 ? 25.520 19.383 -5.669 1.00 45.01 ? 188 LEU C CG 1 ATOM 3961 C CD1 . LEU C 3 155 ? 26.001 20.801 -5.516 1.00 46.14 ? 188 LEU C CD1 1 ATOM 3962 C CD2 . LEU C 3 155 ? 26.226 18.489 -4.681 1.00 45.23 ? 188 LEU C CD2 1 ATOM 3963 N N . PRO C 3 156 ? 22.211 16.974 -3.731 1.00 46.95 ? 189 PRO C N 1 ATOM 3964 C CA . PRO C 3 156 ? 21.219 16.801 -2.677 1.00 47.19 ? 189 PRO C CA 1 ATOM 3965 C C . PRO C 3 156 ? 21.420 17.729 -1.481 1.00 48.20 ? 189 PRO C C 1 ATOM 3966 O O . PRO C 3 156 ? 20.485 17.953 -0.722 1.00 48.74 ? 189 PRO C O 1 ATOM 3967 C CB . PRO C 3 156 ? 21.404 15.350 -2.282 1.00 46.68 ? 189 PRO C CB 1 ATOM 3968 C CG . PRO C 3 156 ? 22.877 15.137 -2.476 1.00 47.01 ? 189 PRO C CG 1 ATOM 3969 C CD . PRO C 3 156 ? 23.201 15.880 -3.732 1.00 46.70 ? 189 PRO C CD 1 ATOM 3970 N N . SER C 3 157 ? 22.624 18.261 -1.305 1.00 49.49 ? 190 SER C N 1 ATOM 3971 C CA . SER C 3 157 ? 22.892 19.168 -0.190 1.00 51.31 ? 190 SER C CA 1 ATOM 3972 C C . SER C 3 157 ? 23.583 20.434 -0.665 1.00 52.55 ? 190 SER C C 1 ATOM 3973 O O . SER C 3 157 ? 24.765 20.403 -1.026 1.00 52.92 ? 190 SER C O 1 ATOM 3974 C CB . SER C 3 157 ? 23.752 18.482 0.873 1.00 51.53 ? 190 SER C CB 1 ATOM 3975 O OG . SER C 3 157 ? 24.004 19.347 1.969 1.00 51.38 ? 190 SER C OG 1 ATOM 3976 N N . VAL C 3 158 ? 22.846 21.545 -0.652 1.00 53.99 ? 191 VAL C N 1 ATOM 3977 C CA . VAL C 3 158 ? 23.381 22.836 -1.095 1.00 55.18 ? 191 VAL C CA 1 ATOM 3978 C C . VAL C 3 158 ? 23.531 23.826 0.063 1.00 56.05 ? 191 VAL C C 1 ATOM 3979 O O . VAL C 3 158 ? 22.648 23.949 0.908 1.00 56.27 ? 191 VAL C O 1 ATOM 3980 C CB . VAL C 3 158 ? 22.480 23.480 -2.172 1.00 54.69 ? 191 VAL C CB 1 ATOM 3981 C CG1 . VAL C 3 158 ? 23.219 24.599 -2.874 1.00 53.79 ? 191 VAL C CG1 1 ATOM 3982 C CG2 . VAL C 3 158 ? 22.036 22.443 -3.179 1.00 55.64 ? 191 VAL C CG2 1 ATOM 3983 N N . ASP C 3 159 ? 24.650 24.540 0.078 1.00 57.03 ? 192 ASP C N 1 ATOM 3984 C CA . ASP C 3 159 ? 24.940 25.538 1.105 1.00 57.81 ? 192 ASP C CA 1 ATOM 3985 C C . ASP C 3 159 ? 24.756 26.968 0.569 1.00 58.42 ? 192 ASP C C 1 ATOM 3986 O O . ASP C 3 159 ? 25.486 27.406 -0.319 1.00 58.95 ? 192 ASP C O 1 ATOM 3987 C CB . ASP C 3 159 ? 26.376 25.336 1.591 1.00 57.43 ? 192 ASP C CB 1 ATOM 3988 C CG . ASP C 3 159 ? 26.736 26.226 2.751 1.00 57.26 ? 192 ASP C CG 1 ATOM 3989 O OD1 . ASP C 3 159 ? 25.925 27.110 3.110 1.00 56.53 ? 192 ASP C OD1 1 ATOM 3990 O OD2 . ASP C 3 159 ? 27.842 26.030 3.303 1.00 56.97 ? 192 ASP C OD2 1 ATOM 3991 N N . GLY C 3 160 ? 23.789 27.696 1.120 1.00 59.01 ? 193 GLY C N 1 ATOM 3992 C CA . GLY C 3 160 ? 23.525 29.069 0.690 1.00 60.06 ? 193 GLY C CA 1 ATOM 3993 C C . GLY C 3 160 ? 24.687 30.044 0.818 1.00 60.86 ? 193 GLY C C 1 ATOM 3994 O O . GLY C 3 160 ? 24.830 30.961 0.003 1.00 61.25 ? 193 GLY C O 1 ATOM 3995 N N . GLN C 3 161 ? 25.523 29.848 1.834 1.00 61.05 ? 194 GLN C N 1 ATOM 3996 C CA . GLN C 3 161 ? 26.646 30.752 2.095 1.00 61.49 ? 194 GLN C CA 1 ATOM 3997 C C . GLN C 3 161 ? 27.881 30.392 1.271 1.00 60.63 ? 194 GLN C C 1 ATOM 3998 O O . GLN C 3 161 ? 29.017 30.539 1.739 1.00 60.59 ? 194 GLN C O 1 ATOM 3999 C CB . GLN C 3 161 ? 27.004 30.731 3.584 1.00 63.10 ? 194 GLN C CB 1 ATOM 4000 C CG . GLN C 3 161 ? 27.513 29.375 4.076 1.00 66.13 ? 194 GLN C CG 1 ATOM 4001 C CD . GLN C 3 161 ? 27.750 29.343 5.573 1.00 68.62 ? 194 GLN C CD 1 ATOM 4002 O OE1 . GLN C 3 161 ? 27.784 30.394 6.224 1.00 70.52 ? 194 GLN C OE1 1 ATOM 4003 N NE2 . GLN C 3 161 ? 27.919 28.131 6.131 1.00 68.28 ? 194 GLN C NE2 1 ATOM 4004 N N . LYS C 3 162 ? 27.660 29.930 0.045 1.00 59.53 ? 195 LYS C N 1 ATOM 4005 C CA . LYS C 3 162 ? 28.753 29.462 -0.800 1.00 58.15 ? 195 LYS C CA 1 ATOM 4006 C C . LYS C 3 162 ? 28.415 29.597 -2.281 1.00 57.22 ? 195 LYS C C 1 ATOM 4007 O O . LYS C 3 162 ? 27.280 29.338 -2.696 1.00 56.68 ? 195 LYS C O 1 ATOM 4008 C CB . LYS C 3 162 ? 29.059 27.991 -0.492 1.00 58.46 ? 195 LYS C CB 1 ATOM 4009 C CG . LYS C 3 162 ? 29.656 27.700 0.882 1.00 57.87 ? 195 LYS C CG 1 ATOM 4010 C CD . LYS C 3 162 ? 31.166 27.865 0.875 1.00 58.43 ? 195 LYS C CD 1 ATOM 4011 C CE . LYS C 3 162 ? 31.795 27.236 2.108 1.00 58.49 ? 195 LYS C CE 1 ATOM 4012 N NZ . LYS C 3 162 ? 31.733 25.749 2.069 1.00 58.40 ? 195 LYS C NZ 1 ATOM 4013 N N . ARG C 3 163 ? 29.412 29.996 -3.070 1.00 55.99 ? 196 ARG C N 1 ATOM 4014 C CA . ARG C 3 163 ? 29.247 30.124 -4.509 1.00 55.03 ? 196 ARG C CA 1 ATOM 4015 C C . ARG C 3 163 ? 29.646 28.808 -5.156 1.00 54.83 ? 196 ARG C C 1 ATOM 4016 O O . ARG C 3 163 ? 30.745 28.293 -4.921 1.00 55.30 ? 196 ARG C O 1 ATOM 4017 C CB . ARG C 3 163 ? 30.124 31.248 -5.053 1.00 55.14 ? 196 ARG C CB 1 ATOM 4018 C CG . ARG C 3 163 ? 29.992 31.453 -6.558 1.00 55.05 ? 196 ARG C CG 1 ATOM 4019 C CD . ARG C 3 163 ? 31.138 32.284 -7.094 1.00 54.46 ? 196 ARG C CD 1 ATOM 4020 N NE . ARG C 3 163 ? 30.985 32.647 -8.500 1.00 55.47 ? 196 ARG C NE 1 ATOM 4021 C CZ . ARG C 3 163 ? 29.994 33.401 -8.984 1.00 56.47 ? 196 ARG C CZ 1 ATOM 4022 N NH1 . ARG C 3 163 ? 29.037 33.857 -8.181 1.00 56.58 ? 196 ARG C NH1 1 ATOM 4023 N NH2 . ARG C 3 163 ? 29.962 33.703 -10.276 1.00 55.92 ? 196 ARG C NH2 1 ATOM 4024 N N . TYR C 3 164 ? 28.750 28.260 -5.968 1.00 53.68 ? 197 TYR C N 1 ATOM 4025 C CA . TYR C 3 164 ? 29.013 26.990 -6.620 1.00 52.76 ? 197 TYR C CA 1 ATOM 4026 C C . TYR C 3 164 ? 29.310 27.189 -8.087 1.00 52.28 ? 197 TYR C C 1 ATOM 4027 O O . TYR C 3 164 ? 28.828 28.134 -8.708 1.00 52.39 ? 197 TYR C O 1 ATOM 4028 C CB . TYR C 3 164 ? 27.821 26.051 -6.469 1.00 52.50 ? 197 TYR C CB 1 ATOM 4029 C CG . TYR C 3 164 ? 27.663 25.440 -5.093 1.00 52.17 ? 197 TYR C CG 1 ATOM 4030 C CD1 . TYR C 3 164 ? 28.326 24.253 -4.746 1.00 52.22 ? 197 TYR C CD1 1 ATOM 4031 C CD2 . TYR C 3 164 ? 26.834 26.039 -4.140 1.00 51.93 ? 197 TYR C CD2 1 ATOM 4032 C CE1 . TYR C 3 164 ? 28.168 23.684 -3.480 1.00 51.99 ? 197 TYR C CE1 1 ATOM 4033 C CE2 . TYR C 3 164 ? 26.671 25.484 -2.876 1.00 51.41 ? 197 TYR C CE2 1 ATOM 4034 C CZ . TYR C 3 164 ? 27.335 24.312 -2.552 1.00 52.21 ? 197 TYR C CZ 1 ATOM 4035 O OH . TYR C 3 164 ? 27.149 23.768 -1.304 1.00 52.43 ? 197 TYR C OH 1 ATOM 4036 N N . THR C 3 165 ? 30.115 26.282 -8.629 1.00 51.64 ? 198 THR C N 1 ATOM 4037 C CA . THR C 3 165 ? 30.485 26.294 -10.037 1.00 49.75 ? 198 THR C CA 1 ATOM 4038 C C . THR C 3 165 ? 30.396 24.867 -10.546 1.00 48.15 ? 198 THR C C 1 ATOM 4039 O O . THR C 3 165 ? 30.849 23.943 -9.878 1.00 48.17 ? 198 THR C O 1 ATOM 4040 C CB . THR C 3 165 ? 31.909 26.805 -10.230 1.00 49.84 ? 198 THR C CB 1 ATOM 4041 O OG1 . THR C 3 165 ? 32.003 28.129 -9.697 1.00 49.99 ? 198 THR C OG1 1 ATOM 4042 C CG2 . THR C 3 165 ? 32.266 26.830 -11.703 1.00 49.59 ? 198 THR C CG2 1 ATOM 4043 N N . PHE C 3 166 ? 29.812 24.696 -11.726 1.00 46.52 ? 199 PHE C N 1 ATOM 4044 C CA . PHE C 3 166 ? 29.613 23.372 -12.297 1.00 44.99 ? 199 PHE C CA 1 ATOM 4045 C C . PHE C 3 166 ? 30.119 23.273 -13.721 1.00 43.78 ? 199 PHE C C 1 ATOM 4046 O O . PHE C 3 166 ? 30.097 24.248 -14.466 1.00 43.85 ? 199 PHE C O 1 ATOM 4047 C CB . PHE C 3 166 ? 28.128 23.003 -12.287 1.00 44.73 ? 199 PHE C CB 1 ATOM 4048 C CG . PHE C 3 166 ? 27.523 22.966 -10.920 1.00 45.24 ? 199 PHE C CG 1 ATOM 4049 C CD1 . PHE C 3 166 ? 27.437 21.772 -10.217 1.00 45.07 ? 199 PHE C CD1 1 ATOM 4050 C CD2 . PHE C 3 166 ? 27.048 24.136 -10.322 1.00 44.95 ? 199 PHE C CD2 1 ATOM 4051 C CE1 . PHE C 3 166 ? 26.884 21.746 -8.935 1.00 45.19 ? 199 PHE C CE1 1 ATOM 4052 C CE2 . PHE C 3 166 ? 26.494 24.118 -9.049 1.00 43.50 ? 199 PHE C CE2 1 ATOM 4053 C CZ . PHE C 3 166 ? 26.411 22.926 -8.353 1.00 44.13 ? 199 PHE C CZ 1 ATOM 4054 N N . ARG C 3 167 ? 30.570 22.076 -14.090 1.00 42.84 ? 200 ARG C N 1 ATOM 4055 C CA . ARG C 3 167 ? 30.927 21.802 -15.474 1.00 41.76 ? 200 ARG C CA 1 ATOM 4056 C C . ARG C 3 167 ? 30.843 20.307 -15.787 1.00 39.62 ? 200 ARG C C 1 ATOM 4057 O O . ARG C 3 167 ? 30.996 19.467 -14.897 1.00 38.59 ? 200 ARG C O 1 ATOM 4058 C CB . ARG C 3 167 ? 32.312 22.363 -15.805 1.00 42.10 ? 200 ARG C CB 1 ATOM 4059 C CG . ARG C 3 167 ? 33.447 21.683 -15.098 1.00 44.34 ? 200 ARG C CG 1 ATOM 4060 C CD . ARG C 3 167 ? 34.756 22.230 -15.607 1.00 46.48 ? 200 ARG C CD 1 ATOM 4061 N NE . ARG C 3 167 ? 35.896 21.522 -15.043 1.00 48.51 ? 200 ARG C NE 1 ATOM 4062 C CZ . ARG C 3 167 ? 37.158 21.888 -15.229 1.00 49.81 ? 200 ARG C CZ 1 ATOM 4063 N NH1 . ARG C 3 167 ? 37.443 22.960 -15.969 1.00 49.20 ? 200 ARG C NH1 1 ATOM 4064 N NH2 . ARG C 3 167 ? 38.135 21.177 -14.675 1.00 50.79 ? 200 ARG C NH2 1 ATOM 4065 N N . VAL C 3 168 ? 30.582 19.987 -17.051 1.00 37.82 ? 201 VAL C N 1 ATOM 4066 C CA . VAL C 3 168 ? 30.496 18.601 -17.487 1.00 36.88 ? 201 VAL C CA 1 ATOM 4067 C C . VAL C 3 168 ? 31.137 18.348 -18.849 1.00 35.68 ? 201 VAL C C 1 ATOM 4068 O O . VAL C 3 168 ? 31.371 19.272 -19.634 1.00 34.67 ? 201 VAL C O 1 ATOM 4069 C CB . VAL C 3 168 ? 29.022 18.113 -17.559 1.00 37.48 ? 201 VAL C CB 1 ATOM 4070 C CG1 . VAL C 3 168 ? 28.310 18.390 -16.257 1.00 39.18 ? 201 VAL C CG1 1 ATOM 4071 C CG2 . VAL C 3 168 ? 28.281 18.799 -18.705 1.00 37.52 ? 201 VAL C CG2 1 ATOM 4072 N N . ARG C 3 169 ? 31.400 17.072 -19.117 1.00 34.58 ? 202 ARG C N 1 ATOM 4073 C CA . ARG C 3 169 ? 31.891 16.635 -20.414 1.00 33.49 ? 202 ARG C CA 1 ATOM 4074 C C . ARG C 3 169 ? 31.268 15.286 -20.722 1.00 32.07 ? 202 ARG C C 1 ATOM 4075 O O . ARG C 3 169 ? 30.876 14.566 -19.809 1.00 32.65 ? 202 ARG C O 1 ATOM 4076 C CB . ARG C 3 169 ? 33.403 16.523 -20.416 1.00 33.39 ? 202 ARG C CB 1 ATOM 4077 C CG . ARG C 3 169 ? 33.934 15.528 -19.457 1.00 33.88 ? 202 ARG C CG 1 ATOM 4078 C CD . ARG C 3 169 ? 35.419 15.589 -19.521 1.00 36.20 ? 202 ARG C CD 1 ATOM 4079 N NE . ARG C 3 169 ? 36.040 14.705 -18.549 1.00 38.62 ? 202 ARG C NE 1 ATOM 4080 C CZ . ARG C 3 169 ? 37.318 14.774 -18.207 1.00 38.89 ? 202 ARG C CZ 1 ATOM 4081 N NH1 . ARG C 3 169 ? 38.105 15.690 -18.767 1.00 39.02 ? 202 ARG C NH1 1 ATOM 4082 N NH2 . ARG C 3 169 ? 37.802 13.935 -17.304 1.00 38.52 ? 202 ARG C NH2 1 ATOM 4083 N N . SER C 3 170 ? 31.182 14.949 -22.005 1.00 30.29 ? 203 SER C N 1 ATOM 4084 C CA . SER C 3 170 ? 30.520 13.734 -22.421 1.00 29.35 ? 203 SER C CA 1 ATOM 4085 C C . SER C 3 170 ? 31.467 12.760 -23.075 1.00 29.69 ? 203 SER C C 1 ATOM 4086 O O . SER C 3 170 ? 32.539 13.131 -23.529 1.00 30.05 ? 203 SER C O 1 ATOM 4087 C CB . SER C 3 170 ? 29.402 14.068 -23.398 1.00 29.53 ? 203 SER C CB 1 ATOM 4088 O OG . SER C 3 170 ? 28.568 15.082 -22.869 1.00 30.11 ? 203 SER C OG 1 ATOM 4089 N N . ARG C 3 171 ? 31.061 11.500 -23.119 1.00 30.30 ? 204 ARG C N 1 ATOM 4090 C CA . ARG C 3 171 ? 31.865 10.481 -23.748 1.00 30.37 ? 204 ARG C CA 1 ATOM 4091 C C . ARG C 3 171 ? 30.992 9.460 -24.464 1.00 30.36 ? 204 ARG C C 1 ATOM 4092 O O . ARG C 3 171 ? 29.964 9.012 -23.961 1.00 30.59 ? 204 ARG C O 1 ATOM 4093 C CB . ARG C 3 171 ? 32.769 9.789 -22.729 1.00 30.96 ? 204 ARG C CB 1 ATOM 4094 C CG . ARG C 3 171 ? 33.536 8.623 -23.331 1.00 33.07 ? 204 ARG C CG 1 ATOM 4095 C CD . ARG C 3 171 ? 34.703 8.214 -22.480 1.00 33.78 ? 204 ARG C CD 1 ATOM 4096 N NE . ARG C 3 171 ? 34.282 7.626 -21.215 1.00 35.27 ? 204 ARG C NE 1 ATOM 4097 C CZ . ARG C 3 171 ? 35.111 7.009 -20.384 1.00 35.22 ? 204 ARG C CZ 1 ATOM 4098 N NH1 . ARG C 3 171 ? 36.401 6.903 -20.693 1.00 34.13 ? 204 ARG C NH1 1 ATOM 4099 N NH2 . ARG C 3 171 ? 34.653 6.499 -19.251 1.00 36.16 ? 204 ARG C NH2 1 ATOM 4100 N N . PHE C 3 172 ? 31.428 9.108 -25.660 1.00 30.56 ? 205 PHE C N 1 ATOM 4101 C CA . PHE C 3 172 ? 30.729 8.178 -26.511 1.00 30.49 ? 205 PHE C CA 1 ATOM 4102 C C . PHE C 3 172 ? 31.145 6.795 -26.043 1.00 31.94 ? 205 PHE C C 1 ATOM 4103 O O . PHE C 3 172 ? 32.037 6.184 -26.636 1.00 32.85 ? 205 PHE C O 1 ATOM 4104 C CB . PHE C 3 172 ? 31.179 8.441 -27.953 1.00 28.65 ? 205 PHE C CB 1 ATOM 4105 C CG . PHE C 3 172 ? 30.441 7.659 -28.985 1.00 24.88 ? 205 PHE C CG 1 ATOM 4106 C CD1 . PHE C 3 172 ? 30.927 6.440 -29.422 1.00 23.33 ? 205 PHE C CD1 1 ATOM 4107 C CD2 . PHE C 3 172 ? 29.277 8.155 -29.541 1.00 23.55 ? 205 PHE C CD2 1 ATOM 4108 C CE1 . PHE C 3 172 ? 30.255 5.711 -30.399 1.00 24.67 ? 205 PHE C CE1 1 ATOM 4109 C CE2 . PHE C 3 172 ? 28.591 7.437 -30.509 1.00 24.11 ? 205 PHE C CE2 1 ATOM 4110 C CZ . PHE C 3 172 ? 29.078 6.211 -30.942 1.00 24.39 ? 205 PHE C CZ 1 ATOM 4111 N N . ASN C 3 173 ? 30.517 6.313 -24.967 1.00 32.89 ? 206 ASN C N 1 ATOM 4112 C CA . ASN C 3 173 ? 30.835 4.991 -24.406 1.00 33.16 ? 206 ASN C CA 1 ATOM 4113 C C . ASN C 3 173 ? 29.778 4.590 -23.380 1.00 32.40 ? 206 ASN C C 1 ATOM 4114 O O . ASN C 3 173 ? 29.113 5.460 -22.812 1.00 32.88 ? 206 ASN C O 1 ATOM 4115 C CB . ASN C 3 173 ? 32.213 5.044 -23.741 1.00 34.50 ? 206 ASN C CB 1 ATOM 4116 C CG . ASN C 3 173 ? 32.717 3.673 -23.291 1.00 36.71 ? 206 ASN C CG 1 ATOM 4117 O OD1 . ASN C 3 173 ? 33.071 2.820 -24.113 1.00 36.84 ? 206 ASN C OD1 1 ATOM 4118 N ND2 . ASN C 3 173 ? 32.763 3.465 -21.975 1.00 37.72 ? 206 ASN C ND2 1 ATOM 4119 N N . PRO C 3 174 ? 29.604 3.275 -23.127 1.00 32.02 ? 207 PRO C N 1 ATOM 4120 C CA . PRO C 3 174 ? 30.112 2.040 -23.736 1.00 31.81 ? 207 PRO C CA 1 ATOM 4121 C C . PRO C 3 174 ? 29.118 1.257 -24.608 1.00 31.45 ? 207 PRO C C 1 ATOM 4122 O O . PRO C 3 174 ? 29.454 0.177 -25.120 1.00 30.62 ? 207 PRO C O 1 ATOM 4123 C CB . PRO C 3 174 ? 30.494 1.215 -22.509 1.00 31.25 ? 207 PRO C CB 1 ATOM 4124 C CG . PRO C 3 174 ? 29.407 1.521 -21.582 1.00 30.75 ? 207 PRO C CG 1 ATOM 4125 C CD . PRO C 3 174 ? 29.120 2.997 -21.761 1.00 31.56 ? 207 PRO C CD 1 ATOM 4126 N N . LEU C 3 175 ? 27.908 1.787 -24.771 1.00 30.49 ? 208 LEU C N 1 ATOM 4127 C CA . LEU C 3 175 ? 26.877 1.101 -25.544 1.00 29.37 ? 208 LEU C CA 1 ATOM 4128 C C . LEU C 3 175 ? 26.989 1.258 -27.054 1.00 29.38 ? 208 LEU C C 1 ATOM 4129 O O . LEU C 3 175 ? 26.727 0.313 -27.784 1.00 29.64 ? 208 LEU C O 1 ATOM 4130 C CB . LEU C 3 175 ? 25.494 1.557 -25.106 1.00 29.02 ? 208 LEU C CB 1 ATOM 4131 C CG . LEU C 3 175 ? 25.075 1.204 -23.687 1.00 28.91 ? 208 LEU C CG 1 ATOM 4132 C CD1 . LEU C 3 175 ? 23.653 1.657 -23.494 1.00 27.30 ? 208 LEU C CD1 1 ATOM 4133 C CD2 . LEU C 3 175 ? 25.195 -0.289 -23.428 1.00 29.01 ? 208 LEU C CD2 1 ATOM 4134 N N . CYS C 3 176 ? 27.345 2.448 -27.529 1.00 29.85 ? 209 CYS C N 1 ATOM 4135 C CA . CYS C 3 176 ? 27.454 2.669 -28.967 1.00 30.40 ? 209 CYS C CA 1 ATOM 4136 C C . CYS C 3 176 ? 28.883 2.470 -29.457 1.00 29.24 ? 209 CYS C C 1 ATOM 4137 O O . CYS C 3 176 ? 29.112 2.217 -30.643 1.00 29.53 ? 209 CYS C O 1 ATOM 4138 C CB . CYS C 3 176 ? 26.968 4.069 -29.359 1.00 32.51 ? 209 CYS C CB 1 ATOM 4139 S SG . CYS C 3 176 ? 25.244 4.448 -28.934 1.00 37.75 ? 209 CYS C SG 1 ATOM 4140 N N . GLY C 3 177 ? 29.841 2.587 -28.550 1.00 27.67 ? 210 GLY C N 1 ATOM 4141 C CA . GLY C 3 177 ? 31.225 2.377 -28.919 1.00 27.80 ? 210 GLY C CA 1 ATOM 4142 C C . GLY C 3 177 ? 32.126 2.577 -27.729 1.00 28.53 ? 210 GLY C C 1 ATOM 4143 O O . GLY C 3 177 ? 31.736 3.215 -26.752 1.00 28.67 ? 210 GLY C O 1 ATOM 4144 N N . SER C 3 178 ? 33.334 2.039 -27.796 1.00 29.77 ? 211 SER C N 1 ATOM 4145 C CA . SER C 3 178 ? 34.248 2.172 -26.670 1.00 31.90 ? 211 SER C CA 1 ATOM 4146 C C . SER C 3 178 ? 35.305 3.223 -26.912 1.00 32.88 ? 211 SER C C 1 ATOM 4147 O O . SER C 3 178 ? 36.473 2.909 -27.103 1.00 33.34 ? 211 SER C O 1 ATOM 4148 C CB . SER C 3 178 ? 34.894 0.831 -26.348 1.00 31.86 ? 211 SER C CB 1 ATOM 4149 O OG . SER C 3 178 ? 33.927 -0.049 -25.802 1.00 32.78 ? 211 SER C OG 1 ATOM 4150 N N . ALA C 3 179 ? 34.890 4.479 -26.905 1.00 35.10 ? 212 ALA C N 1 ATOM 4151 C CA . ALA C 3 179 ? 35.818 5.568 -27.142 1.00 37.59 ? 212 ALA C CA 1 ATOM 4152 C C . ALA C 3 179 ? 36.482 5.949 -25.831 1.00 39.06 ? 212 ALA C C 1 ATOM 4153 O O . ALA C 3 179 ? 35.797 6.265 -24.856 1.00 39.08 ? 212 ALA C O 1 ATOM 4154 C CB . ALA C 3 179 ? 35.088 6.774 -27.755 1.00 37.65 ? 212 ALA C CB 1 ATOM 4155 N N . GLN C 3 180 ? 37.813 5.922 -25.814 1.00 40.53 ? 213 GLN C N 1 ATOM 4156 C CA . GLN C 3 180 ? 38.571 6.280 -24.618 1.00 43.30 ? 213 GLN C CA 1 ATOM 4157 C C . GLN C 3 180 ? 38.513 7.757 -24.209 1.00 43.86 ? 213 GLN C C 1 ATOM 4158 O O . GLN C 3 180 ? 38.375 8.072 -23.019 1.00 43.78 ? 213 GLN C O 1 ATOM 4159 C CB . GLN C 3 180 ? 40.033 5.859 -24.767 1.00 44.83 ? 213 GLN C CB 1 ATOM 4160 C CG . GLN C 3 180 ? 40.347 4.478 -24.200 1.00 48.01 ? 213 GLN C CG 1 ATOM 4161 C CD . GLN C 3 180 ? 41.846 4.237 -24.053 1.00 50.65 ? 213 GLN C CD 1 ATOM 4162 O OE1 . GLN C 3 180 ? 42.519 4.890 -23.244 1.00 51.02 ? 213 GLN C OE1 1 ATOM 4163 N NE2 . GLN C 3 180 ? 42.374 3.295 -24.837 1.00 50.73 ? 213 GLN C NE2 1 ATOM 4164 N N . HIS C 3 181 ? 38.603 8.657 -25.188 1.00 43.98 ? 214 HIS C N 1 ATOM 4165 C CA . HIS C 3 181 ? 38.674 10.102 -24.907 1.00 44.53 ? 214 HIS C CA 1 ATOM 4166 C C . HIS C 3 181 ? 37.375 10.865 -24.624 1.00 43.32 ? 214 HIS C C 1 ATOM 4167 O O . HIS C 3 181 ? 36.377 10.691 -25.315 1.00 43.73 ? 214 HIS C O 1 ATOM 4168 C CB . HIS C 3 181 ? 39.435 10.812 -26.032 1.00 45.36 ? 214 HIS C CB 1 ATOM 4169 C CG . HIS C 3 181 ? 40.827 10.304 -26.222 1.00 46.87 ? 214 HIS C CG 1 ATOM 4170 N ND1 . HIS C 3 181 ? 41.686 10.083 -25.166 1.00 47.11 ? 214 HIS C ND1 1 ATOM 4171 C CD2 . HIS C 3 181 ? 41.513 9.978 -27.343 1.00 48.32 ? 214 HIS C CD2 1 ATOM 4172 C CE1 . HIS C 3 181 ? 42.840 9.636 -25.627 1.00 48.59 ? 214 HIS C CE1 1 ATOM 4173 N NE2 . HIS C 3 181 ? 42.763 9.562 -26.945 1.00 49.51 ? 214 HIS C NE2 1 ATOM 4174 N N . TRP C 3 182 ? 37.415 11.731 -23.615 1.00 42.25 ? 215 TRP C N 1 ATOM 4175 C CA . TRP C 3 182 ? 36.281 12.594 -23.280 1.00 41.98 ? 215 TRP C CA 1 ATOM 4176 C C . TRP C 3 182 ? 36.247 13.792 -24.218 1.00 41.86 ? 215 TRP C C 1 ATOM 4177 O O . TRP C 3 182 ? 37.122 13.957 -25.076 1.00 42.03 ? 215 TRP C O 1 ATOM 4178 C CB . TRP C 3 182 ? 36.377 13.108 -21.840 1.00 41.68 ? 215 TRP C CB 1 ATOM 4179 C CG . TRP C 3 182 ? 36.259 12.042 -20.825 1.00 41.77 ? 215 TRP C CG 1 ATOM 4180 C CD1 . TRP C 3 182 ? 37.261 11.258 -20.344 1.00 41.64 ? 215 TRP C CD1 1 ATOM 4181 C CD2 . TRP C 3 182 ? 35.059 11.601 -20.187 1.00 42.09 ? 215 TRP C CD2 1 ATOM 4182 N NE1 . TRP C 3 182 ? 36.762 10.351 -19.443 1.00 41.92 ? 215 TRP C NE1 1 ATOM 4183 C CE2 . TRP C 3 182 ? 35.412 10.541 -19.326 1.00 41.63 ? 215 TRP C CE2 1 ATOM 4184 C CE3 . TRP C 3 182 ? 33.720 12.000 -20.257 1.00 42.76 ? 215 TRP C CE3 1 ATOM 4185 C CZ2 . TRP C 3 182 ? 34.478 9.873 -18.541 1.00 41.97 ? 215 TRP C CZ2 1 ATOM 4186 C CZ3 . TRP C 3 182 ? 32.786 11.331 -19.474 1.00 43.62 ? 215 TRP C CZ3 1 ATOM 4187 C CH2 . TRP C 3 182 ? 33.173 10.280 -18.626 1.00 43.42 ? 215 TRP C CH2 1 ATOM 4188 N N . SER C 3 183 ? 35.228 14.626 -24.040 1.00 41.19 ? 216 SER C N 1 ATOM 4189 C CA . SER C 3 183 ? 35.097 15.863 -24.793 1.00 41.63 ? 216 SER C CA 1 ATOM 4190 C C . SER C 3 183 ? 35.678 16.980 -23.934 1.00 42.10 ? 216 SER C C 1 ATOM 4191 O O . SER C 3 183 ? 35.990 16.764 -22.765 1.00 42.10 ? 216 SER C O 1 ATOM 4192 C CB . SER C 3 183 ? 33.624 16.145 -25.090 1.00 41.53 ? 216 SER C CB 1 ATOM 4193 O OG . SER C 3 183 ? 32.918 16.456 -23.902 1.00 40.64 ? 216 SER C OG 1 ATOM 4194 N N . GLU C 3 184 ? 35.828 18.171 -24.500 1.00 42.82 ? 217 GLU C N 1 ATOM 4195 C CA . GLU C 3 184 ? 36.319 19.303 -23.713 1.00 43.70 ? 217 GLU C CA 1 ATOM 4196 C C . GLU C 3 184 ? 35.274 19.740 -22.681 1.00 42.76 ? 217 GLU C C 1 ATOM 4197 O O . GLU C 3 184 ? 34.074 19.657 -22.941 1.00 42.75 ? 217 GLU C O 1 ATOM 4198 C CB . GLU C 3 184 ? 36.702 20.474 -24.630 1.00 44.86 ? 217 GLU C CB 1 ATOM 4199 C CG . GLU C 3 184 ? 38.099 20.353 -25.262 1.00 48.03 ? 217 GLU C CG 1 ATOM 4200 C CD . GLU C 3 184 ? 39.227 20.341 -24.222 1.00 50.98 ? 217 GLU C CD 1 ATOM 4201 O OE1 . GLU C 3 184 ? 39.137 21.120 -23.247 1.00 52.72 ? 217 GLU C OE1 1 ATOM 4202 O OE2 . GLU C 3 184 ? 40.201 19.564 -24.378 1.00 50.66 ? 217 GLU C OE2 1 ATOM 4203 N N . TRP C 3 185 ? 35.723 20.187 -21.510 1.00 41.46 ? 218 TRP C N 1 ATOM 4204 C CA . TRP C 3 185 ? 34.797 20.648 -20.475 1.00 40.58 ? 218 TRP C CA 1 ATOM 4205 C C . TRP C 3 185 ? 33.892 21.734 -21.042 1.00 40.91 ? 218 TRP C C 1 ATOM 4206 O O . TRP C 3 185 ? 34.326 22.548 -21.845 1.00 40.29 ? 218 TRP C O 1 ATOM 4207 C CB . TRP C 3 185 ? 35.540 21.227 -19.267 1.00 39.37 ? 218 TRP C CB 1 ATOM 4208 C CG . TRP C 3 185 ? 36.250 20.238 -18.382 1.00 37.26 ? 218 TRP C CG 1 ATOM 4209 C CD1 . TRP C 3 185 ? 37.597 20.166 -18.157 1.00 36.16 ? 218 TRP C CD1 1 ATOM 4210 C CD2 . TRP C 3 185 ? 35.655 19.216 -17.573 1.00 35.81 ? 218 TRP C CD2 1 ATOM 4211 N NE1 . TRP C 3 185 ? 37.877 19.163 -17.264 1.00 35.05 ? 218 TRP C NE1 1 ATOM 4212 C CE2 . TRP C 3 185 ? 36.705 18.561 -16.890 1.00 34.96 ? 218 TRP C CE2 1 ATOM 4213 C CE3 . TRP C 3 185 ? 34.340 18.783 -17.365 1.00 36.05 ? 218 TRP C CE3 1 ATOM 4214 C CZ2 . TRP C 3 185 ? 36.481 17.496 -16.009 1.00 34.23 ? 218 TRP C CZ2 1 ATOM 4215 C CZ3 . TRP C 3 185 ? 34.116 17.717 -16.485 1.00 36.01 ? 218 TRP C CZ3 1 ATOM 4216 C CH2 . TRP C 3 185 ? 35.184 17.089 -15.820 1.00 35.18 ? 218 TRP C CH2 1 ATOM 4217 N N . SER C 3 186 ? 32.634 21.739 -20.618 1.00 42.38 ? 219 SER C N 1 ATOM 4218 C CA . SER C 3 186 ? 31.686 22.760 -21.036 1.00 43.61 ? 219 SER C CA 1 ATOM 4219 C C . SER C 3 186 ? 32.028 24.041 -20.290 1.00 44.62 ? 219 SER C C 1 ATOM 4220 O O . SER C 3 186 ? 32.624 23.984 -19.219 1.00 45.35 ? 219 SER C O 1 ATOM 4221 C CB . SER C 3 186 ? 30.275 22.344 -20.638 1.00 43.74 ? 219 SER C CB 1 ATOM 4222 O OG . SER C 3 186 ? 30.077 22.557 -19.248 1.00 43.11 ? 219 SER C OG 1 ATOM 4223 N N . HIS C 3 187 ? 31.643 25.192 -20.833 1.00 45.13 ? 220 HIS C N 1 ATOM 4224 C CA . HIS C 3 187 ? 31.819 26.447 -20.112 1.00 45.94 ? 220 HIS C CA 1 ATOM 4225 C C . HIS C 3 187 ? 31.221 26.308 -18.707 1.00 45.44 ? 220 HIS C C 1 ATOM 4226 O O . HIS C 3 187 ? 30.204 25.642 -18.526 1.00 45.48 ? 220 HIS C O 1 ATOM 4227 C CB . HIS C 3 187 ? 31.137 27.602 -20.859 1.00 48.17 ? 220 HIS C CB 1 ATOM 4228 C CG . HIS C 3 187 ? 31.706 27.868 -22.221 1.00 50.67 ? 220 HIS C CG 1 ATOM 4229 N ND1 . HIS C 3 187 ? 33.041 28.146 -22.430 1.00 52.85 ? 220 HIS C ND1 1 ATOM 4230 C CD2 . HIS C 3 187 ? 31.120 27.905 -23.441 1.00 51.34 ? 220 HIS C CD2 1 ATOM 4231 C CE1 . HIS C 3 187 ? 33.254 28.332 -23.721 1.00 52.78 ? 220 HIS C CE1 1 ATOM 4232 N NE2 . HIS C 3 187 ? 32.104 28.193 -24.356 1.00 52.01 ? 220 HIS C NE2 1 ATOM 4233 N N . PRO C 3 188 ? 31.849 26.935 -17.697 1.00 44.69 ? 221 PRO C N 1 ATOM 4234 C CA . PRO C 3 188 ? 31.368 26.845 -16.316 1.00 44.41 ? 221 PRO C CA 1 ATOM 4235 C C . PRO C 3 188 ? 29.985 27.456 -16.160 1.00 45.17 ? 221 PRO C C 1 ATOM 4236 O O . PRO C 3 188 ? 29.432 28.025 -17.111 1.00 45.83 ? 221 PRO C O 1 ATOM 4237 C CB . PRO C 3 188 ? 32.387 27.674 -15.535 1.00 43.65 ? 221 PRO C CB 1 ATOM 4238 C CG . PRO C 3 188 ? 33.597 27.663 -16.389 1.00 44.23 ? 221 PRO C CG 1 ATOM 4239 C CD . PRO C 3 188 ? 33.067 27.758 -17.777 1.00 44.46 ? 221 PRO C CD 1 ATOM 4240 N N . ILE C 3 189 ? 29.439 27.327 -14.954 1.00 44.95 ? 222 ILE C N 1 ATOM 4241 C CA . ILE C 3 189 ? 28.153 27.910 -14.610 1.00 44.62 ? 222 ILE C CA 1 ATOM 4242 C C . ILE C 3 189 ? 28.170 28.077 -13.106 1.00 45.14 ? 222 ILE C C 1 ATOM 4243 O O . ILE C 3 189 ? 28.786 27.289 -12.394 1.00 44.01 ? 222 ILE C O 1 ATOM 4244 C CB . ILE C 3 189 ? 26.960 27.033 -15.068 1.00 44.17 ? 222 ILE C CB 1 ATOM 4245 C CG1 . ILE C 3 189 ? 25.637 27.773 -14.817 1.00 43.71 ? 222 ILE C CG1 1 ATOM 4246 C CG2 . ILE C 3 189 ? 26.986 25.673 -14.372 1.00 44.98 ? 222 ILE C CG2 1 ATOM 4247 C CD1 . ILE C 3 189 ? 24.399 27.083 -15.386 1.00 41.44 ? 222 ILE C CD1 1 ATOM 4248 N N . HIS C 3 190 ? 27.507 29.120 -12.627 1.00 46.57 ? 223 HIS C N 1 ATOM 4249 C CA . HIS C 3 190 ? 27.550 29.448 -11.216 1.00 47.78 ? 223 HIS C CA 1 ATOM 4250 C C . HIS C 3 190 ? 26.173 29.459 -10.576 1.00 48.25 ? 223 HIS C C 1 ATOM 4251 O O . HIS C 3 190 ? 25.161 29.447 -11.274 1.00 48.35 ? 223 HIS C O 1 ATOM 4252 C CB . HIS C 3 190 ? 28.220 30.803 -11.052 1.00 48.20 ? 223 HIS C CB 1 ATOM 4253 C CG . HIS C 3 190 ? 29.607 30.857 -11.611 1.00 49.62 ? 223 HIS C CG 1 ATOM 4254 N ND1 . HIS C 3 190 ? 30.726 30.578 -10.851 1.00 50.45 ? 223 HIS C ND1 1 ATOM 4255 C CD2 . HIS C 3 190 ? 30.057 31.151 -12.856 1.00 50.71 ? 223 HIS C CD2 1 ATOM 4256 C CE1 . HIS C 3 190 ? 31.807 30.704 -11.602 1.00 50.99 ? 223 HIS C CE1 1 ATOM 4257 N NE2 . HIS C 3 190 ? 31.428 31.050 -12.823 1.00 51.52 ? 223 HIS C NE2 1 ATOM 4258 N N . TRP C 3 191 ? 26.149 29.472 -9.245 1.00 48.83 ? 224 TRP C N 1 ATOM 4259 C CA . TRP C 3 191 ? 24.900 29.502 -8.491 1.00 49.99 ? 224 TRP C CA 1 ATOM 4260 C C . TRP C 3 191 ? 25.057 30.128 -7.107 1.00 52.41 ? 224 TRP C C 1 ATOM 4261 O O . TRP C 3 191 ? 26.085 29.956 -6.436 1.00 52.60 ? 224 TRP C O 1 ATOM 4262 C CB . TRP C 3 191 ? 24.321 28.092 -8.348 1.00 48.07 ? 224 TRP C CB 1 ATOM 4263 C CG . TRP C 3 191 ? 23.111 28.032 -7.450 1.00 45.22 ? 224 TRP C CG 1 ATOM 4264 C CD1 . TRP C 3 191 ? 23.097 27.817 -6.095 1.00 43.97 ? 224 TRP C CD1 1 ATOM 4265 C CD2 . TRP C 3 191 ? 21.746 28.226 -7.840 1.00 42.79 ? 224 TRP C CD2 1 ATOM 4266 N NE1 . TRP C 3 191 ? 21.806 27.867 -5.623 1.00 42.52 ? 224 TRP C NE1 1 ATOM 4267 C CE2 . TRP C 3 191 ? 20.958 28.118 -6.671 1.00 41.60 ? 224 TRP C CE2 1 ATOM 4268 C CE3 . TRP C 3 191 ? 21.112 28.486 -9.064 1.00 42.68 ? 224 TRP C CE3 1 ATOM 4269 C CZ2 . TRP C 3 191 ? 19.569 28.259 -6.690 1.00 41.27 ? 224 TRP C CZ2 1 ATOM 4270 C CZ3 . TRP C 3 191 ? 19.728 28.626 -9.084 1.00 41.62 ? 224 TRP C CZ3 1 ATOM 4271 C CH2 . TRP C 3 191 ? 18.972 28.510 -7.902 1.00 41.64 ? 224 TRP C CH2 1 ATOM 4272 N N . GLY C 3 192 ? 24.011 30.842 -6.690 1.00 54.86 ? 225 GLY C N 1 ATOM 4273 C CA . GLY C 3 192 ? 23.984 31.489 -5.389 1.00 57.54 ? 225 GLY C CA 1 ATOM 4274 C C . GLY C 3 192 ? 25.157 32.432 -5.258 1.00 59.77 ? 225 GLY C C 1 ATOM 4275 O O . GLY C 3 192 ? 25.830 32.731 -6.249 1.00 60.42 ? 225 GLY C O 1 ATOM 4276 N N . SER C 3 193 ? 25.415 32.898 -4.042 1.00 61.42 ? 226 SER C N 1 ATOM 4277 C CA . SER C 3 193 ? 26.520 33.821 -3.827 1.00 63.11 ? 226 SER C CA 1 ATOM 4278 C C . SER C 3 193 ? 27.288 33.555 -2.539 1.00 63.81 ? 226 SER C C 1 ATOM 4279 O O . SER C 3 193 ? 26.896 32.707 -1.724 1.00 63.79 ? 226 SER C O 1 ATOM 4280 C CB . SER C 3 193 ? 26.021 35.279 -3.873 1.00 63.52 ? 226 SER C CB 1 ATOM 4281 O OG . SER C 3 193 ? 24.938 35.487 -2.976 1.00 65.26 ? 226 SER C OG 1 ATOM 4282 N N . ASN C 3 194 ? 28.387 34.296 -2.384 1.00 64.96 ? 227 ASN C N 1 ATOM 4283 C CA . ASN C 3 194 ? 29.299 34.210 -1.238 1.00 66.00 ? 227 ASN C CA 1 ATOM 4284 C C . ASN C 3 194 ? 30.416 33.184 -1.456 1.00 65.95 ? 227 ASN C C 1 ATOM 4285 O O . ASN C 3 194 ? 30.686 32.341 -0.580 1.00 65.72 ? 227 ASN C O 1 ATOM 4286 C CB . ASN C 3 194 ? 28.532 33.935 0.069 1.00 66.99 ? 227 ASN C CB 1 ATOM 4287 C CG . ASN C 3 194 ? 27.658 35.110 0.496 1.00 67.68 ? 227 ASN C CG 1 ATOM 4288 O OD1 . ASN C 3 194 ? 28.140 36.243 0.608 1.00 68.26 ? 227 ASN C OD1 1 ATOM 4289 N ND2 . ASN C 3 194 ? 26.369 34.838 0.738 1.00 67.72 ? 227 ASN C ND2 1 HETATM 4290 C C1 . NAG D 4 . ? 29.761 -5.048 2.425 1.00 46.60 ? 901 NAG B C1 1 HETATM 4291 C C2 . NAG D 4 . ? 29.009 -5.869 1.371 1.00 48.65 ? 901 NAG B C2 1 HETATM 4292 C C3 . NAG D 4 . ? 29.722 -7.208 1.186 1.00 50.99 ? 901 NAG B C3 1 HETATM 4293 C C4 . NAG D 4 . ? 31.188 -7.000 0.787 1.00 53.13 ? 901 NAG B C4 1 HETATM 4294 C C5 . NAG D 4 . ? 31.901 -6.039 1.756 1.00 51.06 ? 901 NAG B C5 1 HETATM 4295 C C6 . NAG D 4 . ? 33.241 -5.602 1.164 1.00 49.38 ? 901 NAG B C6 1 HETATM 4296 C C7 . NAG D 4 . ? 26.587 -5.504 1.117 1.00 47.34 ? 901 NAG B C7 1 HETATM 4297 C C8 . NAG D 4 . ? 25.341 -5.266 1.953 1.00 46.09 ? 901 NAG B C8 1 HETATM 4298 N N2 . NAG D 4 . ? 27.620 -6.073 1.756 1.00 47.84 ? 901 NAG B N2 1 HETATM 4299 O O3 . NAG D 4 . ? 29.071 -7.964 0.187 1.00 51.01 ? 901 NAG B O3 1 HETATM 4300 O O4 . NAG D 4 . ? 31.871 -8.267 0.727 1.00 58.15 ? 901 NAG B O4 1 HETATM 4301 O O5 . NAG D 4 . ? 31.117 -4.845 1.992 1.00 49.82 ? 901 NAG B O5 1 HETATM 4302 O O6 . NAG D 4 . ? 34.312 -5.810 2.070 1.00 46.21 ? 901 NAG B O6 1 HETATM 4303 O O7 . NAG D 4 . ? 26.592 -5.184 -0.081 1.00 45.22 ? 901 NAG B O7 1 HETATM 4304 C C1 . NAG E 4 . ? 32.414 -8.548 -0.555 1.00 62.86 ? 902 NAG B C1 1 HETATM 4305 C C2 . NAG E 4 . ? 33.403 -9.735 -0.538 1.00 65.04 ? 902 NAG B C2 1 HETATM 4306 C C3 . NAG E 4 . ? 33.889 -10.012 -1.969 1.00 65.77 ? 902 NAG B C3 1 HETATM 4307 C C4 . NAG E 4 . ? 32.711 -10.150 -2.932 1.00 65.45 ? 902 NAG B C4 1 HETATM 4308 C C5 . NAG E 4 . ? 31.842 -8.888 -2.836 1.00 64.74 ? 902 NAG B C5 1 HETATM 4309 C C6 . NAG E 4 . ? 30.638 -8.880 -3.782 1.00 65.74 ? 902 NAG B C6 1 HETATM 4310 C C7 . NAG E 4 . ? 35.523 -8.609 0.037 1.00 68.24 ? 902 NAG B C7 1 HETATM 4311 C C8 . NAG E 4 . ? 36.810 -9.140 -0.576 1.00 66.50 ? 902 NAG B C8 1 HETATM 4312 N N2 . NAG E 4 . ? 34.549 -9.489 0.333 1.00 67.21 ? 902 NAG B N2 1 HETATM 4313 O O3 . NAG E 4 . ? 34.724 -11.157 -2.034 1.00 65.92 ? 902 NAG B O3 1 HETATM 4314 O O4 . NAG E 4 . ? 33.215 -10.344 -4.240 1.00 66.40 ? 902 NAG B O4 1 HETATM 4315 O O5 . NAG E 4 . ? 31.365 -8.781 -1.493 1.00 63.58 ? 902 NAG B O5 1 HETATM 4316 O O6 . NAG E 4 . ? 29.521 -9.547 -3.201 1.00 67.82 ? 902 NAG B O6 1 HETATM 4317 O O7 . NAG E 4 . ? 35.412 -7.398 0.255 1.00 69.14 ? 902 NAG B O7 1 HETATM 4318 C C1 . NAG F 4 . ? 6.631 2.460 -14.134 1.00 57.34 ? 911 NAG B C1 1 HETATM 4319 C C2 . NAG F 4 . ? 6.047 2.751 -15.527 1.00 65.02 ? 911 NAG B C2 1 HETATM 4320 C C3 . NAG F 4 . ? 4.663 3.410 -15.458 1.00 69.43 ? 911 NAG B C3 1 HETATM 4321 C C4 . NAG F 4 . ? 3.751 2.841 -14.352 1.00 72.48 ? 911 NAG B C4 1 HETATM 4322 C C5 . NAG F 4 . ? 4.528 2.699 -13.042 1.00 69.58 ? 911 NAG B C5 1 HETATM 4323 C C6 . NAG F 4 . ? 3.673 2.107 -11.935 1.00 71.47 ? 911 NAG B C6 1 HETATM 4324 C C7 . NAG F 4 . ? 7.475 3.317 -17.437 1.00 66.72 ? 911 NAG B C7 1 HETATM 4325 C C8 . NAG F 4 . ? 8.593 4.203 -17.946 1.00 66.11 ? 911 NAG B C8 1 HETATM 4326 N N2 . NAG F 4 . ? 6.922 3.655 -16.267 1.00 65.92 ? 911 NAG B N2 1 HETATM 4327 O O3 . NAG F 4 . ? 4.026 3.286 -16.723 1.00 69.62 ? 911 NAG B O3 1 HETATM 4328 O O4 . NAG F 4 . ? 2.629 3.697 -14.103 1.00 80.26 ? 911 NAG B O4 1 HETATM 4329 O O5 . NAG F 4 . ? 5.677 1.875 -13.247 1.00 62.92 ? 911 NAG B O5 1 HETATM 4330 O O6 . NAG F 4 . ? 3.076 0.886 -12.387 1.00 75.90 ? 911 NAG B O6 1 HETATM 4331 O O7 . NAG F 4 . ? 7.125 2.338 -18.100 1.00 67.01 ? 911 NAG B O7 1 HETATM 4332 C C1 . NAG G 4 . ? 1.967 4.184 -15.257 1.00 87.61 ? 912 NAG B C1 1 HETATM 4333 C C2 . NAG G 4 . ? 0.528 4.548 -14.892 1.00 90.80 ? 912 NAG B C2 1 HETATM 4334 C C3 . NAG G 4 . ? -0.192 5.241 -16.067 1.00 92.08 ? 912 NAG B C3 1 HETATM 4335 C C4 . NAG G 4 . ? 0.669 6.290 -16.798 1.00 91.68 ? 912 NAG B C4 1 HETATM 4336 C C5 . NAG G 4 . ? 2.114 5.812 -17.011 1.00 91.17 ? 912 NAG B C5 1 HETATM 4337 C C6 . NAG G 4 . ? 3.031 6.929 -17.508 1.00 91.29 ? 912 NAG B C6 1 HETATM 4338 C C7 . NAG G 4 . ? -0.840 3.288 -13.322 1.00 94.10 ? 912 NAG B C7 1 HETATM 4339 C C8 . NAG G 4 . ? -1.625 2.003 -13.045 1.00 94.17 ? 912 NAG B C8 1 HETATM 4340 N N2 . NAG G 4 . ? -0.185 3.341 -14.489 1.00 92.36 ? 912 NAG B N2 1 HETATM 4341 O O3 . NAG G 4 . ? -1.376 5.863 -15.595 1.00 93.32 ? 912 NAG B O3 1 HETATM 4342 O O4 . NAG G 4 . ? 0.071 6.593 -18.049 1.00 91.82 ? 912 NAG B O4 1 HETATM 4343 O O5 . NAG G 4 . ? 2.654 5.324 -15.779 1.00 89.76 ? 912 NAG B O5 1 HETATM 4344 O O6 . NAG G 4 . ? 4.308 6.385 -17.882 1.00 91.56 ? 912 NAG B O6 1 HETATM 4345 O O7 . NAG G 4 . ? -0.827 4.228 -12.487 1.00 95.24 ? 912 NAG B O7 1 HETATM 4346 C C1 . FUC H 5 . ? 2.773 0.003 -11.303 1.00 78.58 ? 913 FUC B C1 1 HETATM 4347 C C2 . FUC H 5 . ? 2.823 -1.484 -11.744 1.00 79.58 ? 913 FUC B C2 1 HETATM 4348 C C3 . FUC H 5 . ? 3.319 -2.423 -10.623 1.00 80.23 ? 913 FUC B C3 1 HETATM 4349 C C4 . FUC H 5 . ? 4.566 -1.921 -9.866 1.00 79.92 ? 913 FUC B C4 1 HETATM 4350 C C5 . FUC H 5 . ? 4.814 -0.427 -10.088 1.00 79.25 ? 913 FUC B C5 1 HETATM 4351 C C6 . FUC H 5 . ? 5.658 0.215 -8.991 1.00 77.97 ? 913 FUC B C6 1 HETATM 4352 O O2 . FUC H 5 . ? 3.609 -1.678 -12.923 1.00 79.48 ? 913 FUC B O2 1 HETATM 4353 O O3 . FUC H 5 . ? 2.259 -2.614 -9.701 1.00 81.55 ? 913 FUC B O3 1 HETATM 4354 O O4 . FUC H 5 . ? 4.398 -2.153 -8.477 1.00 80.39 ? 913 FUC B O4 1 HETATM 4355 O O5 . FUC H 5 . ? 3.556 0.249 -10.130 1.00 79.72 ? 913 FUC B O5 1 HETATM 4356 C C1 . NAG I 4 . ? 41.053 19.134 -37.987 1.00 54.13 ? 921 NAG C C1 1 HETATM 4357 C C2 . NAG I 4 . ? 40.965 19.678 -36.565 1.00 54.31 ? 921 NAG C C2 1 HETATM 4358 C C3 . NAG I 4 . ? 40.747 21.200 -36.588 1.00 55.06 ? 921 NAG C C3 1 HETATM 4359 C C4 . NAG I 4 . ? 41.871 21.865 -37.384 1.00 55.04 ? 921 NAG C C4 1 HETATM 4360 C C5 . NAG I 4 . ? 41.858 21.254 -38.780 1.00 55.39 ? 921 NAG C C5 1 HETATM 4361 C C6 . NAG I 4 . ? 42.930 21.854 -39.668 1.00 55.77 ? 921 NAG C C6 1 HETATM 4362 C C7 . NAG I 4 . ? 39.813 18.991 -34.542 1.00 52.81 ? 921 NAG C C7 1 HETATM 4363 C C8 . NAG I 4 . ? 41.067 18.670 -33.734 1.00 51.24 ? 921 NAG C C8 1 HETATM 4364 N N2 . NAG I 4 . ? 39.898 18.990 -35.872 1.00 53.30 ? 921 NAG C N2 1 HETATM 4365 O O3 . NAG I 4 . ? 40.739 21.701 -35.266 1.00 56.16 ? 921 NAG C O3 1 HETATM 4366 O O4 . NAG I 4 . ? 41.724 23.276 -37.445 1.00 53.64 ? 921 NAG C O4 1 HETATM 4367 O O5 . NAG I 4 . ? 42.095 19.841 -38.667 1.00 56.44 ? 921 NAG C O5 1 HETATM 4368 O O6 . NAG I 4 . ? 44.201 21.444 -39.193 1.00 57.05 ? 921 NAG C O6 1 HETATM 4369 O O7 . NAG I 4 . ? 38.741 19.238 -33.977 1.00 51.90 ? 921 NAG C O7 1 HETATM 4370 C C1 . NAG J 4 . ? 53.518 19.475 -51.903 1.00 81.67 ? 931 NAG C C1 1 HETATM 4371 C C2 . NAG J 4 . ? 54.424 20.004 -53.017 1.00 81.75 ? 931 NAG C C2 1 HETATM 4372 C C3 . NAG J 4 . ? 54.584 21.520 -52.864 1.00 82.73 ? 931 NAG C C3 1 HETATM 4373 C C4 . NAG J 4 . ? 53.220 22.220 -52.760 1.00 83.06 ? 931 NAG C C4 1 HETATM 4374 C C5 . NAG J 4 . ? 52.298 21.517 -51.751 1.00 82.48 ? 931 NAG C C5 1 HETATM 4375 C C6 . NAG J 4 . ? 50.874 22.037 -51.838 1.00 82.41 ? 931 NAG C C6 1 HETATM 4376 C C7 . NAG J 4 . ? 56.416 19.085 -51.920 1.00 78.63 ? 931 NAG C C7 1 HETATM 4377 C C8 . NAG J 4 . ? 57.014 17.700 -51.813 1.00 78.39 ? 931 NAG C C8 1 HETATM 4378 N N2 . NAG J 4 . ? 55.719 19.341 -53.028 1.00 79.87 ? 931 NAG C N2 1 HETATM 4379 O O3 . NAG J 4 . ? 55.291 22.036 -53.977 1.00 83.09 ? 931 NAG C O3 1 HETATM 4380 O O4 . NAG J 4 . ? 53.405 23.575 -52.385 1.00 83.31 ? 931 NAG C O4 1 HETATM 4381 O O5 . NAG J 4 . ? 52.250 20.109 -52.005 1.00 81.89 ? 931 NAG C O5 1 HETATM 4382 O O6 . NAG J 4 . ? 50.248 21.547 -53.012 1.00 82.52 ? 931 NAG C O6 1 HETATM 4383 O O7 . NAG J 4 . ? 56.585 19.903 -51.012 1.00 77.98 ? 931 NAG C O7 1 HETATM 4384 C C1 . NAG K 4 . ? 20.992 25.949 -26.788 1.00 76.03 ? 941 NAG C C1 1 HETATM 4385 C C2 . NAG K 4 . ? 20.717 27.054 -27.834 1.00 78.68 ? 941 NAG C C2 1 HETATM 4386 C C3 . NAG K 4 . ? 20.160 26.443 -29.135 1.00 79.30 ? 941 NAG C C3 1 HETATM 4387 C C4 . NAG K 4 . ? 21.094 25.331 -29.616 1.00 79.10 ? 941 NAG C C4 1 HETATM 4388 C C5 . NAG K 4 . ? 21.218 24.275 -28.515 1.00 78.73 ? 941 NAG C C5 1 HETATM 4389 C C6 . NAG K 4 . ? 22.093 23.097 -28.921 1.00 78.74 ? 941 NAG C C6 1 HETATM 4390 C C7 . NAG K 4 . ? 19.643 29.240 -27.760 1.00 80.76 ? 941 NAG C C7 1 HETATM 4391 C C8 . NAG K 4 . ? 18.324 29.592 -28.431 1.00 80.58 ? 941 NAG C C8 1 HETATM 4392 N N2 . NAG K 4 . ? 19.759 28.001 -27.285 1.00 79.68 ? 941 NAG C N2 1 HETATM 4393 O O3 . NAG K 4 . ? 20.007 27.424 -30.155 1.00 80.01 ? 941 NAG C O3 1 HETATM 4394 O O4 . NAG K 4 . ? 20.582 24.766 -30.810 1.00 79.55 ? 941 NAG C O4 1 HETATM 4395 O O5 . NAG K 4 . ? 21.770 24.867 -27.329 1.00 77.49 ? 941 NAG C O5 1 HETATM 4396 O O6 . NAG K 4 . ? 21.395 21.881 -28.710 1.00 77.77 ? 941 NAG C O6 1 HETATM 4397 O O7 . NAG K 4 . ? 20.550 30.073 -27.669 1.00 80.68 ? 941 NAG C O7 1 HETATM 4398 O O . HOH L 6 . ? 22.041 -10.880 -22.979 1.00 8.90 ? 130 HOH A O 1 HETATM 4399 O O . HOH L 6 . ? 14.690 -3.366 -32.240 1.00 18.56 ? 131 HOH A O 1 HETATM 4400 O O . HOH L 6 . ? 29.659 -2.776 -21.284 1.00 16.60 ? 132 HOH A O 1 HETATM 4401 O O . HOH L 6 . ? 23.988 -23.887 -35.467 1.00 31.54 ? 133 HOH A O 1 HETATM 4402 O O . HOH L 6 . ? 34.954 -3.904 -23.750 1.00 13.39 ? 134 HOH A O 1 HETATM 4403 O O . HOH L 6 . ? 27.775 0.704 -41.203 1.00 43.41 ? 135 HOH A O 1 HETATM 4404 O O . HOH L 6 . ? 26.191 -29.369 -21.545 1.00 29.75 ? 136 HOH A O 1 HETATM 4405 O O . HOH L 6 . ? 26.619 -10.524 -18.928 1.00 15.73 ? 137 HOH A O 1 HETATM 4406 O O . HOH L 6 . ? 34.767 -14.620 -19.310 1.00 4.48 ? 138 HOH A O 1 HETATM 4407 O O . HOH L 6 . ? 39.653 -19.770 -19.110 1.00 27.52 ? 139 HOH A O 1 HETATM 4408 O O . HOH L 6 . ? 40.075 -5.816 -25.236 1.00 29.49 ? 140 HOH A O 1 HETATM 4409 O O . HOH L 6 . ? 29.859 -4.930 -19.406 1.00 8.36 ? 141 HOH A O 1 HETATM 4410 O O . HOH L 6 . ? 30.482 -7.715 -16.282 1.00 34.19 ? 142 HOH A O 1 HETATM 4411 O O . HOH L 6 . ? 27.830 -29.576 -30.492 1.00 19.24 ? 143 HOH A O 1 HETATM 4412 O O . HOH L 6 . ? 23.437 -16.949 -18.106 1.00 36.91 ? 144 HOH A O 1 HETATM 4413 O O . HOH L 6 . ? 24.884 -2.354 -15.201 1.00 21.63 ? 145 HOH A O 1 HETATM 4414 O O . HOH L 6 . ? 15.921 -2.778 -26.834 1.00 6.83 ? 146 HOH A O 1 HETATM 4415 O O . HOH L 6 . ? 28.786 -29.590 -23.237 1.00 23.88 ? 147 HOH A O 1 HETATM 4416 O O . HOH L 6 . ? 17.827 -19.077 -40.299 1.00 54.81 ? 148 HOH A O 1 HETATM 4417 O O . HOH L 6 . ? 35.907 -31.763 -18.544 1.00 6.12 ? 149 HOH A O 1 HETATM 4418 O O . HOH L 6 . ? 18.672 7.895 -33.248 1.00 30.99 ? 150 HOH A O 1 HETATM 4419 O O . HOH L 6 . ? 22.934 -16.720 -41.809 1.00 42.86 ? 151 HOH A O 1 HETATM 4420 O O . HOH L 6 . ? 17.025 4.805 -26.433 1.00 38.31 ? 152 HOH A O 1 HETATM 4421 O O . HOH L 6 . ? 25.643 -14.764 -12.795 1.00 33.83 ? 153 HOH A O 1 HETATM 4422 O O . HOH L 6 . ? 14.017 3.891 -25.953 1.00 19.67 ? 154 HOH A O 1 HETATM 4423 O O . HOH M 6 . ? -5.091 -32.461 -11.488 1.00 8.21 ? 914 HOH B O 1 HETATM 4424 O O . HOH M 6 . ? 5.067 -25.967 -14.535 1.00 4.36 ? 915 HOH B O 1 HETATM 4425 O O . HOH M 6 . ? 16.363 -10.173 -3.061 1.00 3.89 ? 916 HOH B O 1 HETATM 4426 O O . HOH M 6 . ? 13.498 -7.872 -3.877 1.00 21.32 ? 917 HOH B O 1 HETATM 4427 O O . HOH M 6 . ? -3.533 -20.190 9.411 1.00 14.29 ? 918 HOH B O 1 HETATM 4428 O O . HOH M 6 . ? 6.310 -31.018 -7.741 1.00 15.07 ? 919 HOH B O 1 HETATM 4429 O O . HOH M 6 . ? 29.784 -0.224 -4.512 1.00 34.06 ? 920 HOH B O 1 HETATM 4430 O O . HOH M 6 . ? 9.755 -0.957 -2.055 1.00 30.28 ? 921 HOH B O 1 HETATM 4431 O O . HOH M 6 . ? 26.328 2.149 -7.672 1.00 14.70 ? 922 HOH B O 1 HETATM 4432 O O . HOH M 6 . ? 14.786 -4.340 -0.925 1.00 14.43 ? 923 HOH B O 1 HETATM 4433 O O . HOH M 6 . ? 22.487 -9.432 -14.620 1.00 8.12 ? 924 HOH B O 1 HETATM 4434 O O . HOH M 6 . ? 2.744 -22.434 5.899 1.00 6.39 ? 925 HOH B O 1 HETATM 4435 O O . HOH M 6 . ? 11.915 1.964 0.673 1.00 27.06 ? 926 HOH B O 1 HETATM 4436 O O . HOH M 6 . ? 4.524 -12.723 -18.439 1.00 24.73 ? 927 HOH B O 1 HETATM 4437 O O . HOH M 6 . ? 31.388 1.689 -2.714 1.00 12.40 ? 928 HOH B O 1 HETATM 4438 O O . HOH M 6 . ? 20.804 -3.152 -18.697 1.00 16.71 ? 929 HOH B O 1 HETATM 4439 O O . HOH M 6 . ? 22.109 -20.092 -9.684 1.00 15.94 ? 930 HOH B O 1 HETATM 4440 O O . HOH M 6 . ? 10.904 -18.382 -25.183 1.00 10.27 ? 931 HOH B O 1 HETATM 4441 O O . HOH M 6 . ? 4.859 -10.304 -15.696 1.00 4.25 ? 932 HOH B O 1 HETATM 4442 O O . HOH M 6 . ? 8.989 -20.008 -0.233 1.00 14.63 ? 933 HOH B O 1 HETATM 4443 O O . HOH M 6 . ? 20.786 -6.306 0.766 1.00 24.71 ? 934 HOH B O 1 HETATM 4444 O O . HOH M 6 . ? 12.571 -8.793 -26.194 1.00 22.06 ? 935 HOH B O 1 HETATM 4445 O O . HOH M 6 . ? 25.405 -3.495 5.924 1.00 33.62 ? 936 HOH B O 1 HETATM 4446 O O . HOH M 6 . ? 31.571 1.759 2.832 1.00 9.23 ? 937 HOH B O 1 HETATM 4447 O O . HOH M 6 . ? 7.337 -28.492 4.211 1.00 7.78 ? 938 HOH B O 1 HETATM 4448 O O . HOH M 6 . ? -0.010 -29.505 -2.559 1.00 5.90 ? 939 HOH B O 1 HETATM 4449 O O . HOH M 6 . ? 27.249 -5.000 -16.516 1.00 30.10 ? 940 HOH B O 1 HETATM 4450 O O . HOH M 6 . ? 36.566 -9.082 2.855 1.00 29.32 ? 941 HOH B O 1 HETATM 4451 O O . HOH M 6 . ? 1.677 -12.567 -11.772 1.00 2.61 ? 942 HOH B O 1 HETATM 4452 O O . HOH M 6 . ? 35.338 -11.142 -5.067 1.00 17.64 ? 943 HOH B O 1 HETATM 4453 O O . HOH M 6 . ? 35.105 -3.729 0.730 1.00 25.26 ? 944 HOH B O 1 HETATM 4454 O O . HOH M 6 . ? 11.393 9.517 7.765 1.00 14.89 ? 945 HOH B O 1 HETATM 4455 O O . HOH M 6 . ? 17.655 -19.609 -15.371 1.00 5.13 ? 946 HOH B O 1 HETATM 4456 O O . HOH M 6 . ? 17.281 16.629 10.249 1.00 32.84 ? 947 HOH B O 1 HETATM 4457 O O . HOH M 6 . ? 2.165 -10.679 -14.929 1.00 9.30 ? 948 HOH B O 1 HETATM 4458 O O . HOH M 6 . ? 3.117 -10.384 -11.980 1.00 22.85 ? 949 HOH B O 1 HETATM 4459 O O . HOH M 6 . ? 9.357 -29.325 -10.045 1.00 2.00 ? 950 HOH B O 1 HETATM 4460 O O . HOH M 6 . ? 16.091 -21.569 -12.621 1.00 5.74 ? 951 HOH B O 1 HETATM 4461 O O . HOH M 6 . ? 20.624 -10.826 -13.626 1.00 15.57 ? 952 HOH B O 1 HETATM 4462 O O . HOH M 6 . ? -7.298 -29.201 -2.700 1.00 10.44 ? 953 HOH B O 1 HETATM 4463 O O . HOH M 6 . ? 3.757 -27.143 -17.240 1.00 35.29 ? 954 HOH B O 1 HETATM 4464 O O . HOH M 6 . ? 8.346 2.655 -8.901 1.00 23.98 ? 955 HOH B O 1 HETATM 4465 O O . HOH M 6 . ? 13.583 15.161 3.920 1.00 29.26 ? 956 HOH B O 1 HETATM 4466 O O . HOH M 6 . ? 37.861 8.285 3.311 1.00 35.97 ? 957 HOH B O 1 HETATM 4467 O O . HOH M 6 . ? 12.707 -23.144 -16.094 1.00 8.26 ? 958 HOH B O 1 HETATM 4468 O O . HOH M 6 . ? -4.186 -12.636 -3.691 1.00 34.42 ? 959 HOH B O 1 HETATM 4469 O O . HOH M 6 . ? 0.626 -12.590 1.680 1.00 17.96 ? 960 HOH B O 1 HETATM 4470 O O . HOH M 6 . ? 0.846 1.953 -18.059 1.00 28.56 ? 961 HOH B O 1 HETATM 4471 O O . HOH M 6 . ? 24.380 -23.148 -13.698 1.00 9.80 ? 962 HOH B O 1 HETATM 4472 O O . HOH M 6 . ? -8.745 -25.995 -3.412 1.00 12.53 ? 963 HOH B O 1 HETATM 4473 O O . HOH M 6 . ? 4.703 -9.146 -4.303 1.00 23.59 ? 964 HOH B O 1 HETATM 4474 O O . HOH M 6 . ? 5.461 -20.528 7.537 1.00 12.35 ? 965 HOH B O 1 HETATM 4475 O O . HOH M 6 . ? 30.703 -12.313 -4.333 1.00 47.08 ? 966 HOH B O 1 HETATM 4476 O O . HOH M 6 . ? 12.422 -10.562 -4.093 1.00 22.27 ? 967 HOH B O 1 HETATM 4477 O O . HOH M 6 . ? 17.431 8.979 -6.867 1.00 28.37 ? 968 HOH B O 1 HETATM 4478 O O . HOH M 6 . ? 31.039 22.625 11.755 1.00 38.06 ? 969 HOH B O 1 HETATM 4479 O O . HOH M 6 . ? -0.285 -10.073 -2.976 1.00 14.38 ? 970 HOH B O 1 HETATM 4480 O O . HOH M 6 . ? 1.942 -26.447 10.294 1.00 33.99 ? 971 HOH B O 1 HETATM 4481 O O . HOH M 6 . ? 34.163 9.009 -2.353 1.00 23.14 ? 972 HOH B O 1 HETATM 4482 O O . HOH M 6 . ? 28.441 -10.324 0.338 1.00 11.11 ? 973 HOH B O 1 HETATM 4483 O O . HOH M 6 . ? 13.073 -23.796 -5.726 1.00 2.00 ? 974 HOH B O 1 HETATM 4484 O O . HOH M 6 . ? 10.999 -17.872 8.046 1.00 9.64 ? 975 HOH B O 1 HETATM 4485 O O . HOH M 6 . ? 12.628 -10.841 -17.487 1.00 14.51 ? 976 HOH B O 1 HETATM 4486 O O . HOH M 6 . ? 17.553 15.863 -1.852 1.00 16.46 ? 977 HOH B O 1 HETATM 4487 O O . HOH M 6 . ? -7.078 -29.550 -11.939 1.00 7.70 ? 978 HOH B O 1 HETATM 4488 O O . HOH M 6 . ? -7.107 -9.504 -9.560 1.00 34.83 ? 979 HOH B O 1 HETATM 4489 O O . HOH M 6 . ? -8.284 -20.820 -6.346 1.00 22.18 ? 980 HOH B O 1 HETATM 4490 O O . HOH M 6 . ? 13.099 -1.585 4.808 1.00 20.61 ? 981 HOH B O 1 HETATM 4491 O O . HOH M 6 . ? 27.827 -8.060 -17.688 1.00 13.15 ? 982 HOH B O 1 HETATM 4492 O O . HOH M 6 . ? 12.488 -21.894 -4.746 1.00 2.00 ? 983 HOH B O 1 HETATM 4493 O O . HOH M 6 . ? -1.202 -34.293 -7.482 1.00 48.03 ? 984 HOH B O 1 HETATM 4494 O O . HOH M 6 . ? 33.390 -5.750 5.114 1.00 31.40 ? 985 HOH B O 1 HETATM 4495 O O . HOH M 6 . ? 27.115 -8.490 -1.247 1.00 2.00 ? 986 HOH B O 1 HETATM 4496 O O . HOH M 6 . ? 12.989 8.234 -1.979 1.00 31.42 ? 987 HOH B O 1 HETATM 4497 O O . HOH M 6 . ? 31.805 6.612 -4.816 1.00 35.32 ? 988 HOH B O 1 HETATM 4498 O O . HOH M 6 . ? 10.280 -15.529 -23.284 1.00 7.22 ? 989 HOH B O 1 HETATM 4499 O O . HOH M 6 . ? 15.322 -16.124 -15.563 1.00 16.19 ? 990 HOH B O 1 HETATM 4500 O O . HOH M 6 . ? 12.204 -8.629 -23.313 1.00 31.50 ? 991 HOH B O 1 HETATM 4501 O O . HOH M 6 . ? 2.003 -25.150 -17.174 1.00 23.80 ? 992 HOH B O 1 HETATM 4502 O O . HOH M 6 . ? 4.639 -23.652 -14.900 1.00 34.32 ? 993 HOH B O 1 HETATM 4503 O O . HOH M 6 . ? 17.682 18.776 19.304 1.00 35.70 ? 994 HOH B O 1 HETATM 4504 O O . HOH M 6 . ? 12.879 -27.594 -7.166 1.00 3.74 ? 995 HOH B O 1 HETATM 4505 O O . HOH M 6 . ? 21.510 13.814 15.951 1.00 77.02 ? 996 HOH B O 1 HETATM 4506 O O . HOH M 6 . ? 14.939 20.388 9.217 1.00 50.36 ? 997 HOH B O 1 HETATM 4507 O O . HOH M 6 . ? 31.369 1.900 -0.033 1.00 34.67 ? 998 HOH B O 1 HETATM 4508 O O . HOH M 6 . ? 28.091 -6.049 -2.809 1.00 26.96 ? 999 HOH B O 1 HETATM 4509 O O . HOH M 6 . ? 2.567 -31.777 1.779 1.00 37.36 ? 1000 HOH B O 1 HETATM 4510 O O . HOH M 6 . ? 26.346 -10.695 -2.686 1.00 45.44 ? 1001 HOH B O 1 HETATM 4511 O O . HOH N 6 . ? 61.626 2.200 -45.114 1.00 27.68 ? 942 HOH C O 1 HETATM 4512 O O . HOH N 6 . ? 31.657 -2.800 -31.629 1.00 14.58 ? 943 HOH C O 1 HETATM 4513 O O . HOH N 6 . ? 30.468 5.360 -12.128 1.00 34.33 ? 944 HOH C O 1 HETATM 4514 O O . HOH N 6 . ? 33.779 -5.383 -35.978 1.00 19.23 ? 945 HOH C O 1 HETATM 4515 O O . HOH N 6 . ? 46.593 12.033 -53.767 1.00 24.97 ? 946 HOH C O 1 HETATM 4516 O O . HOH N 6 . ? 26.866 33.628 -9.845 1.00 39.80 ? 947 HOH C O 1 HETATM 4517 O O . HOH N 6 . ? 22.777 12.696 -22.667 1.00 35.14 ? 948 HOH C O 1 HETATM 4518 O O . HOH N 6 . ? 20.372 29.239 -32.013 1.00 26.26 ? 949 HOH C O 1 HETATM 4519 O O . HOH N 6 . ? 26.169 4.880 -23.990 1.00 4.13 ? 950 HOH C O 1 HETATM 4520 O O . HOH N 6 . ? 40.753 19.659 -21.024 1.00 10.77 ? 951 HOH C O 1 HETATM 4521 O O . HOH N 6 . ? 33.618 32.207 -13.829 1.00 36.25 ? 952 HOH C O 1 HETATM 4522 O O . HOH N 6 . ? 22.203 32.043 -8.330 1.00 27.12 ? 953 HOH C O 1 HETATM 4523 O O . HOH N 6 . ? 22.246 26.179 -32.226 1.00 47.39 ? 954 HOH C O 1 HETATM 4524 O O . HOH N 6 . ? 33.896 9.564 -26.530 1.00 36.44 ? 955 HOH C O 1 HETATM 4525 O O . HOH N 6 . ? 35.670 1.973 -49.159 1.00 36.75 ? 956 HOH C O 1 HETATM 4526 O O . HOH N 6 . ? 42.564 25.944 -37.897 1.00 40.04 ? 957 HOH C O 1 HETATM 4527 O O . HOH N 6 . ? 28.336 4.503 -25.682 1.00 38.51 ? 958 HOH C O 1 HETATM 4528 O O . HOH N 6 . ? 38.720 21.305 -20.764 1.00 29.15 ? 959 HOH C O 1 HETATM 4529 O O . HOH N 6 . ? 36.288 20.983 -40.297 1.00 65.84 ? 960 HOH C O 1 HETATM 4530 O O . HOH N 6 . ? 38.170 16.453 -4.603 1.00 25.97 ? 961 HOH C O 1 HETATM 4531 O O . HOH N 6 . ? 15.219 20.249 -0.596 1.00 23.95 ? 962 HOH C O 1 HETATM 4532 O O . HOH N 6 . ? 16.000 4.712 -23.384 1.00 20.16 ? 963 HOH C O 1 HETATM 4533 O O . HOH N 6 . ? 18.995 3.066 -20.304 1.00 19.58 ? 964 HOH C O 1 HETATM 4534 O O . HOH N 6 . ? 27.273 34.610 4.060 1.00 26.80 ? 965 HOH C O 1 # 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.ndb_seq_num _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 _pdbx_poly_seq_scheme.hetero A 1 1 HIS 1 1 ? ? ? A . n A 1 2 LYS 2 2 ? ? ? A . n A 1 3 CYS 3 3 3 CYS CYS A . n A 1 4 ASP 4 4 4 ASP ASP A . n A 1 5 ILE 5 5 5 ILE ILE A . n A 1 6 THR 6 6 6 THR THR A . n A 1 7 LEU 7 7 7 LEU LEU A . n A 1 8 GLN 8 8 8 GLN GLN A . n A 1 9 GLU 9 9 9 GLU GLU A . n A 1 10 ILE 10 10 10 ILE ILE A . n A 1 11 ILE 11 11 11 ILE ILE A . n A 1 12 LYS 12 12 12 LYS LYS A . n A 1 13 THR 13 13 13 THR THR A . n A 1 14 LEU 14 14 14 LEU LEU A . n A 1 15 ASN 15 15 15 ASN ASN A . n A 1 16 SER 16 16 16 SER SER A . n A 1 17 LEU 17 17 17 LEU LEU A . n A 1 18 THR 18 18 18 THR THR A . n A 1 19 GLU 19 19 19 GLU GLU A . n A 1 20 GLN 20 20 20 GLN GLN A . n A 1 21 LYS 21 21 21 LYS LYS A . n A 1 22 THR 22 22 22 THR THR A . n A 1 23 LEU 23 23 23 LEU LEU A . n A 1 24 CYS 24 24 24 CYS CYS A . n A 1 25 THR 25 25 25 THR THR A . n A 1 26 GLU 26 26 26 GLU GLU A . n A 1 27 LEU 27 27 27 LEU LEU A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 VAL 29 29 29 VAL VAL A . n A 1 30 THR 30 30 30 THR THR A . n A 1 31 ASP 31 31 31 ASP ASP A . n A 1 32 ILE 32 32 32 ILE ILE A . n A 1 33 PHE 33 33 33 PHE PHE A . n A 1 34 ALA 34 34 34 ALA ALA A . n A 1 35 ALA 35 35 35 ALA ALA A . n A 1 36 SER 36 36 36 SER SER A . n A 1 37 LYS 37 37 37 LYS LYS A . n A 1 38 ASN 38 38 38 ASN ASN A . n A 1 39 THR 39 39 39 THR THR A . n A 1 40 THR 40 40 40 THR THR A . n A 1 41 GLU 41 41 41 GLU GLU A . n A 1 42 LYS 42 42 42 LYS LYS A . n A 1 43 GLU 43 43 43 GLU GLU A . n A 1 44 THR 44 44 44 THR THR A . n A 1 45 PHE 45 45 45 PHE PHE A . n A 1 46 CYS 46 46 46 CYS CYS A . n A 1 47 ARG 47 47 47 ARG ARG A . n A 1 48 ALA 48 48 48 ALA ALA A . n A 1 49 ALA 49 49 49 ALA ALA A . n A 1 50 THR 50 50 50 THR THR A . n A 1 51 VAL 51 51 51 VAL VAL A . n A 1 52 LEU 52 52 52 LEU LEU A . n A 1 53 ARG 53 53 53 ARG ARG A . n A 1 54 GLN 54 54 54 GLN GLN A . n A 1 55 PHE 55 55 55 PHE PHE A . n A 1 56 TYR 56 56 56 TYR TYR A . n A 1 57 SER 57 57 57 SER SER A . n A 1 58 HIS 58 58 58 HIS HIS A . n A 1 59 HIS 59 59 59 HIS HIS A . n A 1 60 GLU 60 60 60 GLU GLU A . n A 1 61 LYS 61 61 61 LYS LYS A . n A 1 62 ASP 62 62 62 ASP ASP A . n A 1 63 THR 63 63 63 THR THR A . n A 1 64 ARG 64 64 64 ARG ARG A . n A 1 65 CYS 65 65 65 CYS CYS A . n A 1 66 LEU 66 66 66 LEU LEU A . n A 1 67 GLY 67 67 67 GLY GLY A . n A 1 68 ALA 68 68 68 ALA ALA A . n A 1 69 THR 69 69 69 THR THR A . n A 1 70 ALA 70 70 70 ALA ALA A . n A 1 71 GLN 71 71 71 GLN GLN A . n A 1 72 GLN 72 72 72 GLN GLN A . n A 1 73 PHE 73 73 73 PHE PHE A . n A 1 74 HIS 74 74 74 HIS HIS A . n A 1 75 ARG 75 75 75 ARG ARG A . n A 1 76 HIS 76 76 76 HIS HIS A . n A 1 77 LYS 77 77 77 LYS LYS A . n A 1 78 GLN 78 78 78 GLN GLN A . n A 1 79 LEU 79 79 79 LEU LEU A . n A 1 80 ILE 80 80 80 ILE ILE A . n A 1 81 ARG 81 81 81 ARG ARG A . n A 1 82 PHE 82 82 82 PHE PHE A . n A 1 83 LEU 83 83 83 LEU LEU A . n A 1 84 LYS 84 84 84 LYS LYS A . n A 1 85 ARG 85 85 85 ARG ARG A . n A 1 86 LEU 86 86 86 LEU LEU A . n A 1 87 ASP 87 87 87 ASP ASP A . n A 1 88 ARG 88 88 88 ARG ARG A . n A 1 89 ASN 89 89 89 ASN ASN A . n A 1 90 LEU 90 90 90 LEU LEU A . n A 1 91 TRP 91 91 91 TRP TRP A . n A 1 92 GLY 92 92 92 GLY GLY A . n A 1 93 LEU 93 93 93 LEU LEU A . n A 1 94 ALA 94 94 94 ALA ALA A . n A 1 95 GLY 95 95 95 GLY GLY A . n A 1 96 LEU 96 96 96 LEU LEU A . n A 1 97 ASN 97 97 97 ASN ASN A . n A 1 98 SER 98 98 98 SER SER A . n A 1 99 CYS 99 99 99 CYS CYS A . n A 1 100 PRO 100 100 100 PRO PRO A . n A 1 101 VAL 101 101 101 VAL VAL A . n A 1 102 LYS 102 102 102 LYS LYS A . n A 1 103 GLU 103 103 103 GLU GLU A . n A 1 104 ALA 104 104 104 ALA ALA A . n A 1 105 ASN 105 105 105 ASN ASN A . n A 1 106 GLN 106 106 106 GLN GLN A . n A 1 107 SER 107 107 107 SER SER A . n A 1 108 THR 108 108 108 THR THR A . n A 1 109 LEU 109 109 109 LEU LEU A . n A 1 110 GLU 110 110 110 GLU GLU A . n A 1 111 ASN 111 111 111 ASN ASN A . n A 1 112 PHE 112 112 112 PHE PHE A . n A 1 113 LEU 113 113 113 LEU LEU A . n A 1 114 GLU 114 114 114 GLU GLU A . n A 1 115 ARG 115 115 115 ARG ARG A . n A 1 116 LEU 116 116 116 LEU LEU A . n A 1 117 LYS 117 117 117 LYS LYS A . n A 1 118 THR 118 118 118 THR THR A . n A 1 119 ILE 119 119 119 ILE ILE A . n A 1 120 MET 120 120 120 MET MET A . n A 1 121 ARG 121 121 121 ARG ARG A . n A 1 122 GLU 122 122 122 GLU GLU A . n A 1 123 LYS 123 123 123 LYS LYS A . n A 1 124 TYR 124 124 124 TYR TYR A . n A 1 125 SER 125 125 125 SER SER A . n A 1 126 LYS 126 126 126 LYS LYS A . n A 1 127 CYS 127 127 127 CYS CYS A . n A 1 128 SER 128 128 128 SER SER A . n A 1 129 SER 129 129 ? ? ? A . n B 2 1 ALA 1 -2 -2 ALA ALA B . n B 2 2 ASP 2 -1 -1 ASP ASP B . n B 2 3 PRO 3 0 0 PRO PRO B . n B 2 4 PHE 4 1 1 PHE PHE B . n B 2 5 LYS 5 2 2 LYS LYS B . n B 2 6 VAL 6 3 3 VAL VAL B . n B 2 7 LEU 7 4 4 LEU LEU B . n B 2 8 GLN 8 5 5 GLN GLN B . n B 2 9 GLU 9 6 6 GLU GLU B . n B 2 10 PRO 10 7 7 PRO PRO B . n B 2 11 THR 11 8 8 THR THR B . n B 2 12 CYS 12 9 9 CYS CYS B . n B 2 13 VAL 13 10 10 VAL VAL B . n B 2 14 SER 14 11 11 SER SER B . n B 2 15 ASP 15 12 12 ASP ASP B . n B 2 16 TYR 16 13 13 TYR TYR B . n B 2 17 MET 17 14 14 MET MET B . n B 2 18 SER 18 15 15 SER SER B . n B 2 19 ILE 19 16 16 ILE ILE B . n B 2 20 SER 20 17 17 SER SER B . n B 2 21 THR 21 18 18 THR THR B . n B 2 22 CYS 22 19 19 CYS CYS B . n B 2 23 GLU 23 20 20 GLU GLU B . n B 2 24 TRP 24 21 21 TRP TRP B . n B 2 25 LYS 25 22 22 LYS LYS B . n B 2 26 MET 26 23 23 MET MET B . n B 2 27 ASN 27 24 24 ASN ASN B . n B 2 28 GLY 28 25 25 GLY GLY B . n B 2 29 PRO 29 26 26 PRO PRO B . n B 2 30 THR 30 27 27 THR THR B . n B 2 31 GLN 31 28 28 GLN GLN B . n B 2 32 CYS 32 29 29 CYS CYS B . n B 2 33 SER 33 30 30 SER SER B . n B 2 34 THR 34 31 31 THR THR B . n B 2 35 GLU 35 32 32 GLU GLU B . n B 2 36 LEU 36 33 33 LEU LEU B . n B 2 37 ARG 37 34 34 ARG ARG B . n B 2 38 LEU 38 35 35 LEU LEU B . n B 2 39 LEU 39 36 36 LEU LEU B . n B 2 40 TYR 40 37 37 TYR TYR B . n B 2 41 GLN 41 38 38 GLN GLN B . n B 2 42 LEU 42 39 39 LEU LEU B . n B 2 43 VAL 43 40 40 VAL VAL B . n B 2 44 PHE 44 41 41 PHE PHE B . n B 2 45 LEU 45 42 42 LEU LEU B . n B 2 46 LEU 46 43 43 LEU LEU B . n B 2 47 SER 47 44 44 SER SER B . n B 2 48 GLU 48 45 45 GLU GLU B . n B 2 49 ALA 49 46 46 ALA ALA B . n B 2 50 HIS 50 47 47 HIS HIS B . n B 2 51 THR 51 48 48 THR THR B . n B 2 52 CYS 52 49 49 CYS CYS B . n B 2 53 ILE 53 50 50 ILE ILE B . n B 2 54 PRO 54 51 51 PRO PRO B . n B 2 55 GLU 55 52 52 GLU GLU B . n B 2 56 ASN 56 53 53 ASN ASN B . n B 2 57 ASN 57 54 54 ASN ASN B . n B 2 58 GLY 58 55 55 GLY GLY B . n B 2 59 GLY 59 56 56 GLY GLY B . n B 2 60 ALA 60 57 57 ALA ALA B . n B 2 61 GLY 61 58 58 GLY GLY B . n B 2 62 CYS 62 59 59 CYS CYS B . n B 2 63 VAL 63 60 60 VAL VAL B . n B 2 64 CYS 64 61 61 CYS CYS B . n B 2 65 HIS 65 62 62 HIS HIS B . n B 2 66 LEU 66 63 63 LEU LEU B . n B 2 67 LEU 67 64 64 LEU LEU B . n B 2 68 MET 68 65 65 MET MET B . n B 2 69 ASP 69 66 66 ASP ASP B . n B 2 70 ASP 70 67 67 ASP ASP B . n B 2 71 VAL 71 68 68 VAL VAL B . n B 2 72 VAL 72 69 69 VAL VAL B . n B 2 73 SER 73 70 70 SER SER B . n B 2 74 ALA 74 71 71 ALA ALA B . n B 2 75 ASP 75 72 72 ASP ASP B . n B 2 76 GLN 76 73 73 GLN GLN B . n B 2 77 TYR 77 74 74 TYR TYR B . n B 2 78 THR 78 75 75 THR THR B . n B 2 79 LEU 79 76 76 LEU LEU B . n B 2 80 ASP 80 77 77 ASP ASP B . n B 2 81 LEU 81 78 78 LEU LEU B . n B 2 82 TRP 82 79 79 TRP TRP B . n B 2 83 ALA 83 80 80 ALA ALA B . n B 2 84 GLY 84 81 81 GLY GLY B . n B 2 85 GLN 85 82 82 GLN GLN B . n B 2 86 GLN 86 83 83 GLN GLN B . n B 2 87 LEU 87 84 84 LEU LEU B . n B 2 88 LEU 88 85 85 LEU LEU B . n B 2 89 TRP 89 86 86 TRP TRP B . n B 2 90 LYS 90 87 87 LYS LYS B . n B 2 91 GLY 91 88 88 GLY GLY B . n B 2 92 SER 92 89 89 SER SER B . n B 2 93 PHE 93 90 90 PHE PHE B . n B 2 94 LYS 94 91 91 LYS LYS B . n B 2 95 PRO 95 92 92 PRO PRO B . n B 2 96 SER 96 93 93 SER SER B . n B 2 97 GLU 97 94 94 GLU GLU B . n B 2 98 HIS 98 95 95 HIS HIS B . n B 2 99 VAL 99 96 96 VAL VAL B . n B 2 100 LYS 100 97 97 LYS LYS B . n B 2 101 PRO 101 98 98 PRO PRO B . n B 2 102 ARG 102 99 99 ARG ARG B . n B 2 103 ALA 103 100 100 ALA ALA B . n B 2 104 PRO 104 101 101 PRO PRO B . n B 2 105 GLY 105 102 102 GLY GLY B . n B 2 106 ASN 106 103 103 ASN ASN B . n B 2 107 LEU 107 104 104 LEU LEU B . n B 2 108 THR 108 105 105 THR THR B . n B 2 109 VAL 109 106 106 VAL VAL B . n B 2 110 HIS 110 107 107 HIS HIS B . n B 2 111 THR 111 108 108 THR THR B . n B 2 112 GLN 112 109 109 GLN GLN B . n B 2 113 VAL 113 110 110 VAL VAL B . n B 2 114 SER 114 111 111 SER SER B . n B 2 115 ASP 115 112 112 ASP ASP B . n B 2 116 THR 116 113 113 THR THR B . n B 2 117 LEU 117 114 114 LEU LEU B . n B 2 118 LEU 118 115 115 LEU LEU B . n B 2 119 LEU 119 116 116 LEU LEU B . n B 2 120 THR 120 117 117 THR THR B . n B 2 121 TRP 121 118 118 TRP TRP B . n B 2 122 SER 122 119 119 SER SER B . n B 2 123 ASN 123 120 120 ASN ASN B . n B 2 124 PRO 124 121 121 PRO PRO B . n B 2 125 TYR 125 122 122 TYR TYR B . n B 2 126 PRO 126 123 123 PRO PRO B . n B 2 127 PRO 127 124 124 PRO PRO B . n B 2 128 ASP 128 125 125 ASP ASP B . n B 2 129 ASN 129 126 126 ASN ASN B . n B 2 130 TYR 130 127 127 TYR TYR B . n B 2 131 LEU 131 128 128 LEU LEU B . n B 2 132 TYR 132 129 129 TYR TYR B . n B 2 133 ASN 133 130 130 ASN ASN B . n B 2 134 HIS 134 131 131 HIS HIS B . n B 2 135 LEU 135 132 132 LEU LEU B . n B 2 136 THR 136 133 133 THR THR B . n B 2 137 TYR 137 134 134 TYR TYR B . n B 2 138 ALA 138 135 135 ALA ALA B . n B 2 139 VAL 139 136 136 VAL VAL B . n B 2 140 ASN 140 137 137 ASN ASN B . n B 2 141 ILE 141 138 138 ILE ILE B . n B 2 142 TRP 142 139 139 TRP TRP B . n B 2 143 SER 143 140 140 SER SER B . n B 2 144 GLU 144 141 141 GLU GLU B . n B 2 145 ASN 145 142 142 ASN ASN B . n B 2 146 ASP 146 143 143 ASP ASP B . n B 2 147 PRO 147 144 144 PRO PRO B . n B 2 148 ALA 148 145 145 ALA ALA B . n B 2 149 ASP 149 146 146 ASP ASP B . n B 2 150 PHE 150 147 147 PHE PHE B . n B 2 151 ARG 151 148 148 ARG ARG B . n B 2 152 ILE 152 149 149 ILE ILE B . n B 2 153 TYR 153 150 150 TYR TYR B . n B 2 154 GLN 154 151 151 GLN GLN B . n B 2 155 VAL 155 152 152 VAL VAL B . n B 2 156 THR 156 153 153 THR THR B . n B 2 157 TYR 157 154 154 TYR TYR B . n B 2 158 LEU 158 155 155 LEU LEU B . n B 2 159 GLU 159 156 156 GLU GLU B . n B 2 160 PRO 160 157 157 PRO PRO B . n B 2 161 SER 161 158 158 SER SER B . n B 2 162 LEU 162 159 159 LEU LEU B . n B 2 163 ARG 163 160 160 ARG ARG B . n B 2 164 ILE 164 161 161 ILE ILE B . n B 2 165 ALA 165 162 162 ALA ALA B . n B 2 166 ALA 166 163 163 ALA ALA B . n B 2 167 SER 167 164 164 SER SER B . n B 2 168 THR 168 165 165 THR THR B . n B 2 169 LEU 169 166 166 LEU LEU B . n B 2 170 LYS 170 167 167 LYS LYS B . n B 2 171 SER 171 168 168 SER SER B . n B 2 172 GLY 172 169 169 GLY GLY B . n B 2 173 ILE 173 170 170 ILE ILE B . n B 2 174 SER 174 171 171 SER SER B . n B 2 175 TYR 175 172 172 TYR TYR B . n B 2 176 ARG 176 173 173 ARG ARG B . n B 2 177 ALA 177 174 174 ALA ALA B . n B 2 178 ARG 178 175 175 ARG ARG B . n B 2 179 VAL 179 176 176 VAL VAL B . n B 2 180 ARG 180 177 177 ARG ARG B . n B 2 181 ALA 181 178 178 ALA ALA B . n B 2 182 TRP 182 179 179 TRP TRP B . n B 2 183 ALA 183 180 180 ALA ALA B . n B 2 184 GLN 184 181 181 GLN GLN B . n B 2 185 CYS 185 182 182 CYS ALA B . n B 2 186 TYR 186 183 183 TYR TYR B . n B 2 187 ASN 187 184 184 ASN ASN B . n B 2 188 THR 188 185 185 THR THR B . n B 2 189 THR 189 186 186 THR THR B . n B 2 190 TRP 190 187 187 TRP TRP B . n B 2 191 SER 191 188 188 SER SER B . n B 2 192 GLU 192 189 189 GLU GLU B . n B 2 193 TRP 193 190 190 TRP TRP B . n B 2 194 SER 194 191 191 SER SER B . n B 2 195 PRO 195 192 192 PRO PRO B . n B 2 196 SER 196 193 193 SER SER B . n B 2 197 THR 197 194 194 THR THR B . n B 2 198 LYS 198 195 195 LYS LYS B . n B 2 199 TRP 199 196 196 TRP TRP B . n B 2 200 HIS 200 197 197 HIS HIS B . n B 2 201 ASN 201 198 198 ASN ASN B . n B 2 202 SER 202 199 199 SER SER B . n B 2 203 TYR 203 200 ? ? ? B . n B 2 204 ARG 204 201 ? ? ? B . n B 2 205 GLU 205 202 ? ? ? B . n C 3 1 PRO 1 34 34 PRO PRO C . n C 3 2 LEU 2 35 35 LEU LEU C . n C 3 3 PRO 3 36 36 PRO PRO C . n C 3 4 GLU 4 37 37 GLU GLU C . n C 3 5 VAL 5 38 38 VAL VAL C . n C 3 6 GLN 6 39 39 GLN GLN C . n C 3 7 CYS 7 40 40 CYS CYS C . n C 3 8 PHE 8 41 41 PHE PHE C . n C 3 9 VAL 9 42 42 VAL VAL C . n C 3 10 PHE 10 43 43 PHE PHE C . n C 3 11 ASN 11 44 44 ASN ASN C . n C 3 12 VAL 12 45 45 VAL VAL C . n C 3 13 GLU 13 46 46 GLU GLU C . n C 3 14 TYR 14 47 47 TYR TYR C . n C 3 15 MET 15 48 48 MET MET C . n C 3 16 ASN 16 49 49 ASN ASN C . n C 3 17 CYS 17 50 50 CYS CYS C . n C 3 18 THR 18 51 51 THR THR C . n C 3 19 TRP 19 52 52 TRP TRP C . n C 3 20 GLN 20 53 53 GLN GLN C . n C 3 21 SER 21 54 54 SER SER C . n C 3 22 SER 22 55 55 SER SER C . n C 3 23 SER 23 56 56 SER SER C . n C 3 24 GLU 24 57 57 GLU GLU C . n C 3 25 PRO 25 58 58 PRO PRO C . n C 3 26 GLN 26 59 59 GLN GLN C . n C 3 27 PRO 27 60 60 PRO PRO C . n C 3 28 THR 28 61 61 THR THR C . n C 3 29 ASN 29 62 62 ASN ASN C . n C 3 30 LEU 30 63 63 LEU LEU C . n C 3 31 THR 31 64 64 THR THR C . n C 3 32 LEU 32 65 65 LEU LEU C . n C 3 33 HIS 33 66 66 HIS HIS C . n C 3 34 TYR 34 67 67 TYR TYR C . n C 3 35 TRP 35 68 68 TRP TRP C . n C 3 36 TYR 36 69 69 TYR TYR C . n C 3 37 LYS 37 70 70 LYS LYS C . n C 3 38 ASN 38 71 71 ASN ASN C . n C 3 39 SER 39 72 72 SER SER C . n C 3 40 ASP 40 73 73 ASP ASP C . n C 3 41 ASN 41 74 74 ASN ASN C . n C 3 42 ASP 42 75 75 ASP ASP C . n C 3 43 LYS 43 76 76 LYS LYS C . n C 3 44 VAL 44 77 77 VAL VAL C . n C 3 45 GLN 45 78 78 GLN GLN C . n C 3 46 LYS 46 79 79 LYS LYS C . n C 3 47 CYS 47 80 80 CYS CYS C . n C 3 48 SER 48 81 81 SER SER C . n C 3 49 HIS 49 82 82 HIS HIS C . n C 3 50 TYR 50 83 83 TYR TYR C . n C 3 51 LEU 51 84 84 LEU LEU C . n C 3 52 PHE 52 85 85 PHE PHE C . n C 3 53 SER 53 86 86 SER SER C . n C 3 54 GLU 54 87 87 GLU GLU C . n C 3 55 GLU 55 88 88 GLU GLU C . n C 3 56 ILE 56 89 89 ILE ILE C . n C 3 57 THR 57 90 90 THR THR C . n C 3 58 SER 58 91 91 SER SER C . n C 3 59 GLY 59 92 92 GLY GLY C . n C 3 60 CYS 60 93 93 CYS CYS C . n C 3 61 GLN 61 94 94 GLN GLN C . n C 3 62 LEU 62 95 95 LEU LEU C . n C 3 63 GLN 63 96 96 GLN GLN C . n C 3 64 LYS 64 97 97 LYS LYS C . n C 3 65 LYS 65 98 98 LYS LYS C . n C 3 66 GLU 66 99 99 GLU GLU C . n C 3 67 ILE 67 100 100 ILE ILE C . n C 3 68 HIS 68 101 101 HIS HIS C . n C 3 69 LEU 69 102 102 LEU LEU C . n C 3 70 TYR 70 103 103 TYR TYR C . n C 3 71 GLN 71 104 104 GLN GLN C . n C 3 72 THR 72 105 105 THR THR C . n C 3 73 PHE 73 106 106 PHE PHE C . n C 3 74 VAL 74 107 107 VAL VAL C . n C 3 75 VAL 75 108 108 VAL VAL C . n C 3 76 GLN 76 109 109 GLN GLN C . n C 3 77 LEU 77 110 110 LEU LEU C . n C 3 78 GLN 78 111 111 GLN GLN C . n C 3 79 ASP 79 112 112 ASP ASP C . n C 3 80 PRO 80 113 113 PRO PRO C . n C 3 81 ARG 81 114 114 ARG ARG C . n C 3 82 GLU 82 115 115 GLU GLU C . n C 3 83 PRO 83 116 116 PRO PRO C . n C 3 84 ARG 84 117 117 ARG ARG C . n C 3 85 ARG 85 118 118 ARG ARG C . n C 3 86 GLN 86 119 119 GLN GLN C . n C 3 87 ALA 87 120 120 ALA ALA C . n C 3 88 THR 88 121 121 THR THR C . n C 3 89 GLN 89 122 122 GLN GLN C . n C 3 90 MET 90 123 123 MET MET C . n C 3 91 LEU 91 124 124 LEU LEU C . n C 3 92 LYS 92 125 125 LYS LYS C . n C 3 93 LEU 93 126 126 LEU LEU C . n C 3 94 GLN 94 127 127 GLN GLN C . n C 3 95 ASN 95 128 128 ASN ASN C . n C 3 96 LEU 96 129 129 LEU LEU C . n C 3 97 VAL 97 130 130 VAL VAL C . n C 3 98 ILE 98 131 131 ILE ILE C . n C 3 99 PRO 99 132 132 PRO PRO C . n C 3 100 TRP 100 133 133 TRP TRP C . n C 3 101 ALA 101 134 134 ALA ALA C . n C 3 102 PRO 102 135 135 PRO PRO C . n C 3 103 GLU 103 136 136 GLU GLU C . n C 3 104 ASN 104 137 137 ASN ASN C . n C 3 105 LEU 105 138 138 LEU LEU C . n C 3 106 THR 106 139 139 THR THR C . n C 3 107 LEU 107 140 140 LEU LEU C . n C 3 108 HIS 108 141 141 HIS HIS C . n C 3 109 LYS 109 142 142 LYS LYS C . n C 3 110 LEU 110 143 143 LEU LEU C . n C 3 111 SER 111 144 144 SER SER C . n C 3 112 GLU 112 145 145 GLU GLU C . n C 3 113 SER 113 146 146 SER SER C . n C 3 114 GLN 114 147 147 GLN GLN C . n C 3 115 LEU 115 148 148 LEU LEU C . n C 3 116 GLU 116 149 149 GLU GLU C . n C 3 117 LEU 117 150 150 LEU LEU C . n C 3 118 ASN 118 151 151 ASN ASN C . n C 3 119 TRP 119 152 152 TRP TRP C . n C 3 120 ASN 120 153 153 ASN ASN C . n C 3 121 ASN 121 154 154 ASN ASN C . n C 3 122 ARG 122 155 155 ARG ARG C . n C 3 123 PHE 123 156 156 PHE PHE C . n C 3 124 LEU 124 157 157 LEU LEU C . n C 3 125 ASN 125 158 158 ASN ASN C . n C 3 126 HIS 126 159 159 HIS HIS C . n C 3 127 CYS 127 160 160 CYS CYS C . n C 3 128 LEU 128 161 161 LEU LEU C . n C 3 129 GLU 129 162 162 GLU GLU C . n C 3 130 HIS 130 163 163 HIS HIS C . n C 3 131 LEU 131 164 164 LEU LEU C . n C 3 132 VAL 132 165 165 VAL VAL C . n C 3 133 GLN 133 166 166 GLN GLN C . n C 3 134 TYR 134 167 167 TYR TYR C . n C 3 135 ARG 135 168 168 ARG ARG C . n C 3 136 THR 136 169 169 THR THR C . n C 3 137 ASP 137 170 170 ASP ASP C . n C 3 138 TRP 138 171 171 TRP TRP C . n C 3 139 ASP 139 172 172 ASP ASP C . n C 3 140 HIS 140 173 173 HIS HIS C . n C 3 141 SER 141 174 174 SER SER C . n C 3 142 TRP 142 175 175 TRP TRP C . n C 3 143 THR 143 176 176 THR THR C . n C 3 144 GLU 144 177 177 GLU GLU C . n C 3 145 GLN 145 178 178 GLN GLN C . n C 3 146 SER 146 179 179 SER SER C . n C 3 147 VAL 147 180 180 VAL VAL C . n C 3 148 ASP 148 181 181 ASP ASP C . n C 3 149 TYR 149 182 182 TYR TYR C . n C 3 150 ARG 150 183 183 ARG ARG C . n C 3 151 HIS 151 184 184 HIS HIS C . n C 3 152 LYS 152 185 185 LYS LYS C . n C 3 153 PHE 153 186 186 PHE PHE C . n C 3 154 SER 154 187 187 SER SER C . n C 3 155 LEU 155 188 188 LEU LEU C . n C 3 156 PRO 156 189 189 PRO PRO C . n C 3 157 SER 157 190 190 SER SER C . n C 3 158 VAL 158 191 191 VAL VAL C . n C 3 159 ASP 159 192 192 ASP ASP C . n C 3 160 GLY 160 193 193 GLY GLY C . n C 3 161 GLN 161 194 194 GLN GLN C . n C 3 162 LYS 162 195 195 LYS LYS C . n C 3 163 ARG 163 196 196 ARG ARG C . n C 3 164 TYR 164 197 197 TYR TYR C . n C 3 165 THR 165 198 198 THR THR C . n C 3 166 PHE 166 199 199 PHE PHE C . n C 3 167 ARG 167 200 200 ARG ARG C . n C 3 168 VAL 168 201 201 VAL VAL C . n C 3 169 ARG 169 202 202 ARG ARG C . n C 3 170 SER 170 203 203 SER SER C . n C 3 171 ARG 171 204 204 ARG ARG C . n C 3 172 PHE 172 205 205 PHE PHE C . n C 3 173 ASN 173 206 206 ASN ASN C . n C 3 174 PRO 174 207 207 PRO PRO C . n C 3 175 LEU 175 208 208 LEU LEU C . n C 3 176 CYS 176 209 209 CYS CYS C . n C 3 177 GLY 177 210 210 GLY GLY C . n C 3 178 SER 178 211 211 SER SER C . n C 3 179 ALA 179 212 212 ALA ALA C . n C 3 180 GLN 180 213 213 GLN GLN C . n C 3 181 HIS 181 214 214 HIS HIS C . n C 3 182 TRP 182 215 215 TRP TRP C . n C 3 183 SER 183 216 216 SER SER C . n C 3 184 GLU 184 217 217 GLU GLU C . n C 3 185 TRP 185 218 218 TRP TRP C . n C 3 186 SER 186 219 219 SER SER C . n C 3 187 HIS 187 220 220 HIS HIS C . n C 3 188 PRO 188 221 221 PRO PRO C . n C 3 189 ILE 189 222 222 ILE ILE C . n C 3 190 HIS 190 223 223 HIS HIS C . n C 3 191 TRP 191 224 224 TRP TRP C . n C 3 192 GLY 192 225 225 GLY GLY C . n C 3 193 SER 193 226 226 SER SER C . n C 3 194 ASN 194 227 227 ASN ASN C . n C 3 195 THR 195 228 ? ? ? C . n C 3 196 SER 196 229 ? ? ? C . n C 3 197 LYS 197 230 ? ? ? C . n C 3 198 GLU 198 231 ? ? ? C . n C 3 199 ASN 199 232 ? ? ? C . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code D 4 NAG 1 901 901 NAG NAG B . E 4 NAG 2 902 902 NAG NAG B . F 4 NAG 1 911 911 NAG NAG B . G 4 NAG 2 912 912 NAG NAG B . H 5 FUC 3 913 913 FUC FUC B . I 4 NAG 1 921 921 NAG NAG C . J 4 NAG 1 931 931 NAG NAG C . K 4 NAG 1 941 941 NAG NAG C . L 6 HOH 1 130 9 HOH HOH A . L 6 HOH 2 131 14 HOH HOH A . L 6 HOH 3 132 16 HOH HOH A . L 6 HOH 4 133 24 HOH HOH A . L 6 HOH 5 134 25 HOH HOH A . L 6 HOH 6 135 40 HOH HOH A . L 6 HOH 7 136 49 HOH HOH A . L 6 HOH 8 137 57 HOH HOH A . L 6 HOH 9 138 58 HOH HOH A . L 6 HOH 10 139 62 HOH HOH A . L 6 HOH 11 140 64 HOH HOH A . L 6 HOH 12 141 66 HOH HOH A . L 6 HOH 13 142 69 HOH HOH A . L 6 HOH 14 143 75 HOH HOH A . L 6 HOH 15 144 93 HOH HOH A . L 6 HOH 16 145 111 HOH HOH A . L 6 HOH 17 146 115 HOH HOH A . L 6 HOH 18 147 116 HOH HOH A . L 6 HOH 19 148 121 HOH HOH A . L 6 HOH 20 149 123 HOH HOH A . L 6 HOH 21 150 127 HOH HOH A . L 6 HOH 22 151 134 HOH HOH A . L 6 HOH 23 152 138 HOH HOH A . L 6 HOH 24 153 142 HOH HOH A . L 6 HOH 25 154 144 HOH HOH A . M 6 HOH 1 914 1 HOH HOH B . M 6 HOH 2 915 2 HOH HOH B . M 6 HOH 3 916 3 HOH HOH B . M 6 HOH 4 917 4 HOH HOH B . M 6 HOH 5 918 5 HOH HOH B . M 6 HOH 6 919 6 HOH HOH B . M 6 HOH 7 920 7 HOH HOH B . M 6 HOH 8 921 8 HOH HOH B . M 6 HOH 9 922 10 HOH HOH B . M 6 HOH 10 923 12 HOH HOH B . M 6 HOH 11 924 17 HOH HOH B . M 6 HOH 12 925 18 HOH HOH B . M 6 HOH 13 926 19 HOH HOH B . M 6 HOH 14 927 20 HOH HOH B . M 6 HOH 15 928 21 HOH HOH B . M 6 HOH 16 929 22 HOH HOH B . M 6 HOH 17 930 23 HOH HOH B . M 6 HOH 18 931 26 HOH HOH B . M 6 HOH 19 932 27 HOH HOH B . M 6 HOH 20 933 28 HOH HOH B . M 6 HOH 21 934 29 HOH HOH B . M 6 HOH 22 935 31 HOH HOH B . M 6 HOH 23 936 32 HOH HOH B . M 6 HOH 24 937 33 HOH HOH B . M 6 HOH 25 938 34 HOH HOH B . M 6 HOH 26 939 35 HOH HOH B . M 6 HOH 27 940 37 HOH HOH B . M 6 HOH 28 941 39 HOH HOH B . M 6 HOH 29 942 41 HOH HOH B . M 6 HOH 30 943 43 HOH HOH B . M 6 HOH 31 944 44 HOH HOH B . M 6 HOH 32 945 45 HOH HOH B . M 6 HOH 33 946 46 HOH HOH B . M 6 HOH 34 947 50 HOH HOH B . M 6 HOH 35 948 52 HOH HOH B . M 6 HOH 36 949 53 HOH HOH B . M 6 HOH 37 950 54 HOH HOH B . M 6 HOH 38 951 55 HOH HOH B . M 6 HOH 39 952 56 HOH HOH B . M 6 HOH 40 953 60 HOH HOH B . M 6 HOH 41 954 61 HOH HOH B . M 6 HOH 42 955 63 HOH HOH B . M 6 HOH 43 956 65 HOH HOH B . M 6 HOH 44 957 67 HOH HOH B . M 6 HOH 45 958 70 HOH HOH B . M 6 HOH 46 959 72 HOH HOH B . M 6 HOH 47 960 73 HOH HOH B . M 6 HOH 48 961 76 HOH HOH B . M 6 HOH 49 962 77 HOH HOH B . M 6 HOH 50 963 78 HOH HOH B . M 6 HOH 51 964 79 HOH HOH B . M 6 HOH 52 965 80 HOH HOH B . M 6 HOH 53 966 81 HOH HOH B . M 6 HOH 54 967 82 HOH HOH B . M 6 HOH 55 968 83 HOH HOH B . M 6 HOH 56 969 84 HOH HOH B . M 6 HOH 57 970 85 HOH HOH B . M 6 HOH 58 971 86 HOH HOH B . M 6 HOH 59 972 87 HOH HOH B . M 6 HOH 60 973 88 HOH HOH B . M 6 HOH 61 974 89 HOH HOH B . M 6 HOH 62 975 90 HOH HOH B . M 6 HOH 63 976 91 HOH HOH B . M 6 HOH 64 977 92 HOH HOH B . M 6 HOH 65 978 95 HOH HOH B . M 6 HOH 66 979 96 HOH HOH B . M 6 HOH 67 980 97 HOH HOH B . M 6 HOH 68 981 98 HOH HOH B . M 6 HOH 69 982 99 HOH HOH B . M 6 HOH 70 983 101 HOH HOH B . M 6 HOH 71 984 102 HOH HOH B . M 6 HOH 72 985 103 HOH HOH B . M 6 HOH 73 986 105 HOH HOH B . M 6 HOH 74 987 112 HOH HOH B . M 6 HOH 75 988 113 HOH HOH B . M 6 HOH 76 989 114 HOH HOH B . M 6 HOH 77 990 118 HOH HOH B . M 6 HOH 78 991 122 HOH HOH B . M 6 HOH 79 992 128 HOH HOH B . M 6 HOH 80 993 129 HOH HOH B . M 6 HOH 81 994 130 HOH HOH B . M 6 HOH 82 995 132 HOH HOH B . M 6 HOH 83 996 133 HOH HOH B . M 6 HOH 84 997 135 HOH HOH B . M 6 HOH 85 998 136 HOH HOH B . M 6 HOH 86 999 137 HOH HOH B . M 6 HOH 87 1000 140 HOH HOH B . M 6 HOH 88 1001 141 HOH HOH B . N 6 HOH 1 942 11 HOH HOH C . N 6 HOH 2 943 13 HOH HOH C . N 6 HOH 3 944 15 HOH HOH C . N 6 HOH 4 945 30 HOH HOH C . N 6 HOH 5 946 36 HOH HOH C . N 6 HOH 6 947 38 HOH HOH C . N 6 HOH 7 948 42 HOH HOH C . N 6 HOH 8 949 48 HOH HOH C . N 6 HOH 9 950 51 HOH HOH C . N 6 HOH 10 951 59 HOH HOH C . N 6 HOH 11 952 68 HOH HOH C . N 6 HOH 12 953 71 HOH HOH C . N 6 HOH 13 954 74 HOH HOH C . N 6 HOH 14 955 94 HOH HOH C . N 6 HOH 15 956 100 HOH HOH C . N 6 HOH 16 957 104 HOH HOH C . N 6 HOH 17 958 117 HOH HOH C . N 6 HOH 18 959 119 HOH HOH C . N 6 HOH 19 960 120 HOH HOH C . N 6 HOH 20 961 124 HOH HOH C . N 6 HOH 21 962 125 HOH HOH C . N 6 HOH 22 963 131 HOH HOH C . N 6 HOH 23 964 139 HOH HOH C . N 6 HOH 24 965 143 HOH HOH C . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 B ASN 106 B ASN 103 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 187 B ASN 184 ? ASN 'GLYCOSYLATION SITE' 3 C ASN 16 C ASN 49 ? ASN 'GLYCOSYLATION SITE' 4 C ASN 29 C ASN 62 ? ASN 'GLYCOSYLATION SITE' 5 C ASN 104 C ASN 137 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N # _pdbx_struct_assembly_prop.biol_id 1 _pdbx_struct_assembly_prop.type 'ABSA (A^2)' _pdbx_struct_assembly_prop.value 5330 _pdbx_struct_assembly_prop.details ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # 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 2008-02-05 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # 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' Advisory 2 2 'Structure model' 'Version format compliance' # loop_ _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.pdbx_refine_id 1 ? refined 27.1978 -15.0147 -28.8314 -0.0491 0.0095 -0.0434 -0.0105 0.0151 -0.0098 2.5042 1.2680 1.3906 -0.8490 0.8868 -0.6138 0.0709 0.2268 -0.0400 -0.1601 -0.0300 -0.0742 0.0471 0.0372 -0.0409 'X-RAY DIFFRACTION' 2 ? refined 4.4649 -19.2360 -7.5233 -0.0447 -0.0207 0.0435 0.0272 -0.0098 0.0019 2.1908 0.7153 1.3778 0.9748 -1.2266 -0.7107 0.0250 0.0630 -0.0175 -0.0417 0.0597 -0.0058 -0.0384 -0.0781 -0.0848 'X-RAY DIFFRACTION' 3 ? refined 21.9896 6.3173 1.5042 0.0052 -0.0568 -0.0363 -0.0112 0.0020 -0.0373 1.2506 2.5349 2.0926 0.4393 0.7265 1.6954 -0.0863 -0.1319 0.1287 -0.0105 0.1939 -0.0690 -0.1062 0.1231 -0.1076 'X-RAY DIFFRACTION' 4 ? refined 44.3492 8.8345 -44.1824 -0.0466 0.0069 -0.1747 0.0854 0.1384 0.1915 5.4667 4.6915 3.7120 0.1597 -2.1116 -1.2207 -0.1683 0.0888 0.0735 -0.5249 -0.2051 -0.4155 0.3172 0.3620 0.3734 'X-RAY DIFFRACTION' 5 ? refined 28.2708 17.9579 -15.8535 -0.0187 -0.1791 -0.0044 -0.0432 0.0566 0.0600 0.7907 2.4103 4.4954 -0.5558 -1.0101 1.8681 0.0863 0.1569 0.1853 0.0035 0.0140 -0.0180 -0.2147 0.0389 -0.1003 'X-RAY DIFFRACTION' # loop_ _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.selection_details 1 1 A 3 A 3 A 128 A 128 ? 'X-RAY DIFFRACTION' ? 2 2 B -2 B 1 B 93 B 96 ? 'X-RAY DIFFRACTION' ? 3 3 B 94 B 97 B 199 B 202 ? 'X-RAY DIFFRACTION' ? 4 4 C 34 C 1 C 126 C 93 ? 'X-RAY DIFFRACTION' ? 5 5 C 127 C 94 C 227 C 194 ? 'X-RAY DIFFRACTION' ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.2.0019 ? 1 HKL-2000 'data collection' . ? 2 HKL-2000 'data reduction' . ? 3 SCALEPACK 'data scaling' . ? 4 PHASER phasing . ? 5 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 GLU A 19 ? ? -51.77 -71.97 2 1 LYS A 37 ? ? -92.78 39.54 3 1 VAL A 101 ? ? -102.08 60.97 4 1 MET B 14 ? ? -134.49 -74.41 5 1 HIS B 95 ? ? -141.38 56.47 6 1 ASP B 143 ? ? -116.62 65.43 7 1 SER B 164 ? ? -64.82 8.03 8 1 LYS B 167 ? ? -54.70 108.11 9 1 SER C 55 ? ? -77.60 22.41 10 1 ASN C 71 ? ? 37.92 42.48 11 1 ASN C 74 ? ? 69.20 70.88 12 1 LYS C 76 ? ? -39.38 129.58 13 1 GLN C 104 ? ? -168.33 110.64 14 1 ASP C 181 ? ? -53.37 177.30 15 1 TYR C 182 ? ? -64.86 75.88 16 1 HIS C 184 ? ? -109.33 54.43 17 1 LYS C 185 ? ? -155.33 88.49 18 1 SER C 187 ? ? -163.52 117.20 19 1 GLN C 194 ? ? -85.01 35.51 20 1 SER C 211 ? ? -102.64 70.82 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 SER C 179 ? ? VAL C 180 ? ? 145.82 2 1 VAL C 180 ? ? ASP C 181 ? ? 141.03 3 1 TYR C 182 ? ? ARG C 183 ? ? 108.14 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 B CYS 182 ? SG ? B CYS 185 SG 2 1 Y 0 C GLU 145 ? CB ? C GLU 112 CB 3 1 Y 0 C GLU 145 ? CG ? C GLU 112 CG 4 1 Y 0 C GLU 145 ? CD ? C GLU 112 CD 5 1 Y 0 C GLU 145 ? OE1 ? C GLU 112 OE1 6 1 Y 0 C GLU 145 ? OE2 ? C GLU 112 OE2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A HIS 1 ? A HIS 1 2 1 Y 1 A LYS 2 ? A LYS 2 3 1 Y 1 A SER 129 ? A SER 129 4 1 Y 1 B TYR 200 ? B TYR 203 5 1 Y 1 B ARG 201 ? B ARG 204 6 1 Y 1 B GLU 202 ? B GLU 205 7 1 Y 1 C THR 228 ? C THR 195 8 1 Y 1 C SER 229 ? C SER 196 9 1 Y 1 C LYS 230 ? C LYS 197 10 1 Y 1 C GLU 231 ? C GLU 198 11 1 Y 1 C ASN 232 ? C ASN 199 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 N-ACETYL-D-GLUCOSAMINE NAG 5 ALPHA-L-FUCOSE FUC 6 water HOH #