data_5DK2 # _entry.id 5DK2 # _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 5DK2 WWPDB D_1000213328 # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB . 5DI8 unspecified PDB . 5DJ0 unspecified PDB . 5DJ2 unspecified PDB . 5DJ6 unspecified PDB . 5DJ8 unspecified PDB . 5DJA unspecified PDB . 5DJC unspecified PDB . 5DJD unspecified PDB . 5DJX unspecified PDB . 5DJY unspecified PDB . 5DJZ unspecified PDB . 5DK0 unspecified PDB . 5DVK unspecified PDB . 5DVL unspecified PDB . 5DVM unspecified PDB . 5DVN unspecified PDB . 5DVO unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5DK2 _pdbx_database_status.recvd_initial_deposition_date 2015-09-02 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Atwell, S.' 1 'Leaver-Fay, A.' 2 'Froning, K.J.' 3 'Aldaz, H.' 4 'Pustilnik, A.' 5 'Lu, F.' 6 'Huang, F.' 7 'Yuan, R.' 8 'Dhanani, S.H.' 9 'Chamberlain, A.K.' 10 'Fitchett, J.R.' 11 'Gutierrez, B.' 12 'Hendle, J.' 13 'Demarest, S.J.' 14 'Kuhlman, B.' 15 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country UK _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Structure _citation.journal_id_ASTM STRUE6 _citation.journal_id_CSD 2005 _citation.journal_id_ISSN 0969-2126 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 24 _citation.language ? _citation.page_first 641 _citation.page_last 651 _citation.title 'Computationally Designed Bispecific Antibodies using Negative State Repertoires.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1016/j.str.2016.02.013 _citation.pdbx_database_id_PubMed 26996964 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Leaver-Fay, A.' 1 primary 'Froning, K.J.' 2 primary 'Atwell, S.' 3 primary 'Aldaz, H.' 4 primary 'Pustilnik, A.' 5 primary 'Lu, F.' 6 primary 'Huang, F.' 7 primary 'Yuan, R.' 8 primary 'Hassanali, S.' 9 primary 'Chamberlain, A.K.' 10 primary 'Fitchett, J.R.' 11 primary 'Demarest, S.J.' 12 primary 'Kuhlman, B.' 13 # _cell.entry_id 5DK2 _cell.length_a 64.857 _cell.length_b 60.565 _cell.length_c 159.448 _cell.angle_alpha 90.00 _cell.angle_beta 97.81 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5DK2 _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 # 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 'Ig gamma-1 chain C region' 25627.176 2 ? 'E356K, D399K' 'UNP residues 104-330' ? 2 polymer man 'Ig gamma-1 chain C region' 26954.121 2 ? 'K392D, K409D' 'UNP residues 104-330' ? 3 polymer syn 'Fc-III peptide' 1533.749 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 9 ? ? ? ? 5 non-polymer man BETA-D-MANNOSE 180.156 3 ? ? ? ? 6 non-polymer man ALPHA-D-MANNOSE 180.156 6 ? ? ? ? 7 non-polymer man BETA-D-GALACTOSE 180.156 3 ? ? ? ? 8 non-polymer man ALPHA-L-FUCOSE 164.156 2 ? ? ? ? 9 water nat water 18.015 105 ? ? ? ? # 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 ;DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTY RVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRKEMTKNQVSLTCLVKGFYPSDIAVE WESNGQPENNYKTTPPVLKSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK ; ;DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTY RVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRKEMTKNQVSLTCLVKGFYPSDIAVE WESNGQPENNYKTTPPVLKSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK ; A,D ? 2 'polypeptide(L)' no no ;HHHHHHHHSGSGSDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLEASRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNA KTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTC LVKGFYPSDIAVEWESNGQPENNYDTTPPVLDSDGSFFLYSDLTVDKSRWQQGNVFSCSVMHEALHNAYTQKSLSLSPGK ; ;HHHHHHHHSGSGSDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLEASRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNA KTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTC LVKGFYPSDIAVEWESNGQPENNYDTTPPVLDSDGSFFLYSDLTVDKSRWQQGNVFSCSVMHEALHNAYTQKSLSLSPGK ; B,E ? 3 'polypeptide(L)' no no DCAWHLGELVWCT DCAWHLGELVWCT C ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ASP n 1 2 LYS n 1 3 THR n 1 4 HIS n 1 5 THR n 1 6 CYS n 1 7 PRO n 1 8 PRO n 1 9 CYS n 1 10 PRO n 1 11 ALA n 1 12 PRO n 1 13 GLU n 1 14 LEU n 1 15 LEU n 1 16 GLY n 1 17 GLY n 1 18 PRO n 1 19 SER n 1 20 VAL n 1 21 PHE n 1 22 LEU n 1 23 PHE n 1 24 PRO n 1 25 PRO n 1 26 LYS n 1 27 PRO n 1 28 LYS n 1 29 ASP n 1 30 THR n 1 31 LEU n 1 32 MET n 1 33 ILE n 1 34 SER n 1 35 ARG n 1 36 THR n 1 37 PRO n 1 38 GLU n 1 39 VAL n 1 40 THR n 1 41 CYS n 1 42 VAL n 1 43 VAL n 1 44 VAL n 1 45 ASP n 1 46 VAL n 1 47 SER n 1 48 HIS n 1 49 GLU n 1 50 ASP n 1 51 PRO n 1 52 GLU n 1 53 VAL n 1 54 LYS n 1 55 PHE n 1 56 ASN n 1 57 TRP n 1 58 TYR n 1 59 VAL n 1 60 ASP n 1 61 GLY n 1 62 VAL n 1 63 GLU n 1 64 VAL n 1 65 HIS n 1 66 ASN n 1 67 ALA n 1 68 LYS n 1 69 THR n 1 70 LYS n 1 71 PRO n 1 72 ARG n 1 73 GLU n 1 74 GLU n 1 75 GLN n 1 76 TYR n 1 77 ASN n 1 78 SER n 1 79 THR n 1 80 TYR n 1 81 ARG n 1 82 VAL n 1 83 VAL n 1 84 SER n 1 85 VAL n 1 86 LEU n 1 87 THR n 1 88 VAL n 1 89 LEU n 1 90 HIS n 1 91 GLN n 1 92 ASP n 1 93 TRP n 1 94 LEU n 1 95 ASN n 1 96 GLY n 1 97 LYS n 1 98 GLU n 1 99 TYR n 1 100 LYS n 1 101 CYS n 1 102 LYS n 1 103 VAL n 1 104 SER n 1 105 ASN n 1 106 LYS n 1 107 ALA n 1 108 LEU n 1 109 PRO n 1 110 ALA n 1 111 PRO n 1 112 ILE n 1 113 GLU n 1 114 LYS n 1 115 THR n 1 116 ILE n 1 117 SER n 1 118 LYS n 1 119 ALA n 1 120 LYS n 1 121 GLY n 1 122 GLN n 1 123 PRO n 1 124 ARG n 1 125 GLU n 1 126 PRO n 1 127 GLN n 1 128 VAL n 1 129 TYR n 1 130 THR n 1 131 LEU n 1 132 PRO n 1 133 PRO n 1 134 SER n 1 135 ARG n 1 136 LYS n 1 137 GLU n 1 138 MET n 1 139 THR n 1 140 LYS n 1 141 ASN n 1 142 GLN n 1 143 VAL n 1 144 SER n 1 145 LEU n 1 146 THR n 1 147 CYS n 1 148 LEU n 1 149 VAL n 1 150 LYS n 1 151 GLY n 1 152 PHE n 1 153 TYR n 1 154 PRO n 1 155 SER n 1 156 ASP n 1 157 ILE n 1 158 ALA n 1 159 VAL n 1 160 GLU n 1 161 TRP n 1 162 GLU n 1 163 SER n 1 164 ASN n 1 165 GLY n 1 166 GLN n 1 167 PRO n 1 168 GLU n 1 169 ASN n 1 170 ASN n 1 171 TYR n 1 172 LYS n 1 173 THR n 1 174 THR n 1 175 PRO n 1 176 PRO n 1 177 VAL n 1 178 LEU n 1 179 LYS n 1 180 SER n 1 181 ASP n 1 182 GLY n 1 183 SER n 1 184 PHE n 1 185 PHE n 1 186 LEU n 1 187 TYR n 1 188 SER n 1 189 LYS n 1 190 LEU n 1 191 THR n 1 192 VAL n 1 193 ASP n 1 194 LYS n 1 195 SER n 1 196 ARG n 1 197 TRP n 1 198 GLN n 1 199 GLN n 1 200 GLY n 1 201 ASN n 1 202 VAL n 1 203 PHE n 1 204 SER n 1 205 CYS n 1 206 SER n 1 207 VAL n 1 208 MET n 1 209 HIS n 1 210 GLU n 1 211 ALA n 1 212 LEU n 1 213 HIS n 1 214 ASN n 1 215 HIS n 1 216 TYR n 1 217 THR n 1 218 GLN n 1 219 LYS n 1 220 SER n 1 221 LEU n 1 222 SER n 1 223 LEU n 1 224 SER n 1 225 PRO n 1 226 GLY n 1 227 LYS n 2 1 HIS n 2 2 HIS n 2 3 HIS n 2 4 HIS n 2 5 HIS n 2 6 HIS n 2 7 HIS n 2 8 HIS n 2 9 SER n 2 10 GLY n 2 11 SER n 2 12 GLY n 2 13 SER n 2 14 ASP n 2 15 LYS n 2 16 THR n 2 17 HIS n 2 18 THR n 2 19 CYS n 2 20 PRO n 2 21 PRO n 2 22 CYS n 2 23 PRO n 2 24 ALA n 2 25 PRO n 2 26 GLU n 2 27 LEU n 2 28 LEU n 2 29 GLY n 2 30 GLY n 2 31 PRO n 2 32 SER n 2 33 VAL n 2 34 PHE n 2 35 LEU n 2 36 PHE n 2 37 PRO n 2 38 PRO n 2 39 LYS n 2 40 PRO n 2 41 LYS n 2 42 ASP n 2 43 THR n 2 44 LEU n 2 45 GLU n 2 46 ALA n 2 47 SER n 2 48 ARG n 2 49 THR n 2 50 PRO n 2 51 GLU n 2 52 VAL n 2 53 THR n 2 54 CYS n 2 55 VAL n 2 56 VAL n 2 57 VAL n 2 58 ASP n 2 59 VAL n 2 60 SER n 2 61 HIS n 2 62 GLU n 2 63 ASP n 2 64 PRO n 2 65 GLU n 2 66 VAL n 2 67 LYS n 2 68 PHE n 2 69 ASN n 2 70 TRP n 2 71 TYR n 2 72 VAL n 2 73 ASP n 2 74 GLY n 2 75 VAL n 2 76 GLU n 2 77 VAL n 2 78 HIS n 2 79 ASN n 2 80 ALA n 2 81 LYS n 2 82 THR n 2 83 LYS n 2 84 PRO n 2 85 ARG n 2 86 GLU n 2 87 GLU n 2 88 GLN n 2 89 TYR n 2 90 ASN n 2 91 SER n 2 92 THR n 2 93 TYR n 2 94 ARG n 2 95 VAL n 2 96 VAL n 2 97 SER n 2 98 VAL n 2 99 LEU n 2 100 THR n 2 101 VAL n 2 102 LEU n 2 103 HIS n 2 104 GLN n 2 105 ASP n 2 106 TRP n 2 107 LEU n 2 108 ASN n 2 109 GLY n 2 110 LYS n 2 111 GLU n 2 112 TYR n 2 113 LYS n 2 114 CYS n 2 115 LYS n 2 116 VAL n 2 117 SER n 2 118 ASN n 2 119 LYS n 2 120 ALA n 2 121 LEU n 2 122 PRO n 2 123 ALA n 2 124 PRO n 2 125 ILE n 2 126 GLU n 2 127 LYS n 2 128 THR n 2 129 ILE n 2 130 SER n 2 131 LYS n 2 132 ALA n 2 133 LYS n 2 134 GLY n 2 135 GLN n 2 136 PRO n 2 137 ARG n 2 138 GLU n 2 139 PRO n 2 140 GLN n 2 141 VAL n 2 142 TYR n 2 143 THR n 2 144 LEU n 2 145 PRO n 2 146 PRO n 2 147 SER n 2 148 ARG n 2 149 GLU n 2 150 GLU n 2 151 MET n 2 152 THR n 2 153 LYS n 2 154 ASN n 2 155 GLN n 2 156 VAL n 2 157 SER n 2 158 LEU n 2 159 THR n 2 160 CYS n 2 161 LEU n 2 162 VAL n 2 163 LYS n 2 164 GLY n 2 165 PHE n 2 166 TYR n 2 167 PRO n 2 168 SER n 2 169 ASP n 2 170 ILE n 2 171 ALA n 2 172 VAL n 2 173 GLU n 2 174 TRP n 2 175 GLU n 2 176 SER n 2 177 ASN n 2 178 GLY n 2 179 GLN n 2 180 PRO n 2 181 GLU n 2 182 ASN n 2 183 ASN n 2 184 TYR n 2 185 ASP n 2 186 THR n 2 187 THR n 2 188 PRO n 2 189 PRO n 2 190 VAL n 2 191 LEU n 2 192 ASP n 2 193 SER n 2 194 ASP n 2 195 GLY n 2 196 SER n 2 197 PHE n 2 198 PHE n 2 199 LEU n 2 200 TYR n 2 201 SER n 2 202 ASP n 2 203 LEU n 2 204 THR n 2 205 VAL n 2 206 ASP n 2 207 LYS n 2 208 SER n 2 209 ARG n 2 210 TRP n 2 211 GLN n 2 212 GLN n 2 213 GLY n 2 214 ASN n 2 215 VAL n 2 216 PHE n 2 217 SER n 2 218 CYS n 2 219 SER n 2 220 VAL n 2 221 MET n 2 222 HIS n 2 223 GLU n 2 224 ALA n 2 225 LEU n 2 226 HIS n 2 227 ASN n 2 228 ALA n 2 229 TYR n 2 230 THR n 2 231 GLN n 2 232 LYS n 2 233 SER n 2 234 LEU n 2 235 SER n 2 236 LEU n 2 237 SER n 2 238 PRO n 2 239 GLY n 2 240 LYS n 3 1 ASP n 3 2 CYS n 3 3 ALA n 3 4 TRP n 3 5 HIS n 3 6 LEU n 3 7 GLY n 3 8 GLU n 3 9 LEU n 3 10 VAL n 3 11 TRP n 3 12 CYS n 3 13 THR 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 'Biological sequence' 1 227 Human ? IGHG1 ? ? ? ? 'transient expression' ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293 ? ? ? ? ? plasmid ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 240 Human ? IGHG1 ? ? ? ? 'transient expression' ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? HEK293 ? ? ? ? ? plasmid ? ? ? ? ? ? # _pdbx_entity_src_syn.entity_id 3 _pdbx_entity_src_syn.pdbx_src_id 1 _pdbx_entity_src_syn.pdbx_alt_source_flag sample _pdbx_entity_src_syn.pdbx_beg_seq_num 1 _pdbx_entity_src_syn.pdbx_end_seq_num 13 _pdbx_entity_src_syn.organism_scientific 'synthetic construct' _pdbx_entity_src_syn.organism_common_name ? _pdbx_entity_src_syn.ncbi_taxonomy_id 32630 _pdbx_entity_src_syn.details 'CPC Scientific Inc., Sunnyvale CA' # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP IGHG1_HUMAN P01857 ? 1 ;DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTY RVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVE WESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK ; 104 2 UNP IGHG1_HUMAN P01857 ? 2 ;DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTY RVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVE WESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK ; 104 3 PDB 5DK2 5DK2 ? 3 ? 1 # 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 5DK2 A 1 ? 227 ? P01857 104 ? 330 ? 221 447 2 2 5DK2 B 14 ? 240 ? P01857 104 ? 330 ? 221 447 3 3 5DK2 C 1 ? 13 ? 5DK2 1 ? 13 ? 1 13 4 1 5DK2 D 1 ? 227 ? P01857 104 ? 330 ? 221 447 5 2 5DK2 E 14 ? 240 ? P01857 104 ? 330 ? 221 447 # 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 1 5DK2 LYS A 136 ? UNP P01857 ASP 239 variant 356 1 1 5DK2 MET A 138 ? UNP P01857 LEU 241 variant 358 2 1 5DK2 LYS A 179 ? UNP P01857 ASP 282 'engineered mutation' 399 3 2 5DK2 HIS B 1 ? UNP P01857 ? ? 'expression tag' 208 4 2 5DK2 HIS B 2 ? UNP P01857 ? ? 'expression tag' 209 5 2 5DK2 HIS B 3 ? UNP P01857 ? ? 'expression tag' 210 6 2 5DK2 HIS B 4 ? UNP P01857 ? ? 'expression tag' 211 7 2 5DK2 HIS B 5 ? UNP P01857 ? ? 'expression tag' 212 8 2 5DK2 HIS B 6 ? UNP P01857 ? ? 'expression tag' 213 9 2 5DK2 HIS B 7 ? UNP P01857 ? ? 'expression tag' 214 10 2 5DK2 HIS B 8 ? UNP P01857 ? ? 'expression tag' 215 11 2 5DK2 SER B 9 ? UNP P01857 ? ? 'expression tag' 216 12 2 5DK2 GLY B 10 ? UNP P01857 ? ? 'expression tag' 217 13 2 5DK2 SER B 11 ? UNP P01857 ? ? 'expression tag' 218 14 2 5DK2 GLY B 12 ? UNP P01857 ? ? 'expression tag' 219 15 2 5DK2 SER B 13 ? UNP P01857 ? ? 'expression tag' 220 16 2 5DK2 GLU B 45 ? UNP P01857 MET 135 'engineered mutation' 252 17 2 5DK2 ALA B 46 ? UNP P01857 ILE 136 'engineered mutation' 253 18 2 5DK2 GLU B 149 ? UNP P01857 ASP 239 variant 356 19 2 5DK2 MET B 151 ? UNP P01857 LEU 241 variant 358 20 2 5DK2 ASP B 185 ? UNP P01857 LYS 275 'engineered mutation' 392 21 2 5DK2 ASP B 202 ? UNP P01857 LYS 292 'engineered mutation' 409 22 2 5DK2 ALA B 228 ? UNP P01857 HIS 318 'engineered mutation' 435 23 4 5DK2 LYS D 136 ? UNP P01857 ASP 239 variant 356 24 4 5DK2 MET D 138 ? UNP P01857 LEU 241 variant 358 25 4 5DK2 LYS D 179 ? UNP P01857 ASP 282 'engineered mutation' 399 26 5 5DK2 HIS E 1 ? UNP P01857 ? ? 'expression tag' 208 27 5 5DK2 HIS E 2 ? UNP P01857 ? ? 'expression tag' 209 28 5 5DK2 HIS E 3 ? UNP P01857 ? ? 'expression tag' 210 29 5 5DK2 HIS E 4 ? UNP P01857 ? ? 'expression tag' 211 30 5 5DK2 HIS E 5 ? UNP P01857 ? ? 'expression tag' 212 31 5 5DK2 HIS E 6 ? UNP P01857 ? ? 'expression tag' 213 32 5 5DK2 HIS E 7 ? UNP P01857 ? ? 'expression tag' 214 33 5 5DK2 HIS E 8 ? UNP P01857 ? ? 'expression tag' 215 34 5 5DK2 SER E 9 ? UNP P01857 ? ? 'expression tag' 216 35 5 5DK2 GLY E 10 ? UNP P01857 ? ? 'expression tag' 217 36 5 5DK2 SER E 11 ? UNP P01857 ? ? 'expression tag' 218 37 5 5DK2 GLY E 12 ? UNP P01857 ? ? 'expression tag' 219 38 5 5DK2 SER E 13 ? UNP P01857 ? ? 'expression tag' 220 39 5 5DK2 GLU E 45 ? UNP P01857 MET 135 'engineered mutation' 252 40 5 5DK2 ALA E 46 ? UNP P01857 ILE 136 'engineered mutation' 253 41 5 5DK2 GLU E 149 ? UNP P01857 ASP 239 variant 356 42 5 5DK2 MET E 151 ? UNP P01857 LEU 241 variant 358 43 5 5DK2 ASP E 185 ? UNP P01857 LYS 275 'engineered mutation' 392 44 5 5DK2 ASP E 202 ? UNP P01857 LYS 292 'engineered mutation' 409 45 5 5DK2 ALA E 228 ? UNP P01857 HIS 318 'engineered mutation' 435 46 # 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 GAL D-saccharide . BETA-D-GALACTOSE ? 'C6 H12 O6' 180.156 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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 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.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5DK2 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.91 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 57.70 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 294 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '100mM MES pH 6.5 + 12% PEG 8K + 200mM Sodium Acetate' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 193 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details 'Diamond (111)' _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'RAYONIX MX-225' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-08-13 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # loop_ _diffrn_radiation_wavelength.id _diffrn_radiation_wavelength.wavelength _diffrn_radiation_wavelength.wt 1 0.9793 1.0 2 0.97931 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'APS BEAMLINE 31-ID' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97931 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 31-ID _diffrn_source.pdbx_synchrotron_site APS # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5DK2 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.600 _reflns.d_resolution_low 30.0 _reflns.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.number_all ? _reflns.number_obs 37058 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 97.200 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.400 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.073 _reflns.pdbx_netI_over_av_sigmaI 9.744 _reflns.pdbx_netI_over_sigmaI 11.100 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all 0.103 _reflns.pdbx_Rpim_I_all 0.055 _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all 126900 _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.meanI_over_sigI_all _reflns_shell.meanI_over_sigI_obs _reflns_shell.number_measured_all _reflns_shell.number_measured_obs _reflns_shell.number_possible _reflns_shell.number_unique_all _reflns_shell.number_unique_obs _reflns_shell.percent_possible_all _reflns_shell.percent_possible_obs _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_gt _reflns_shell.meanI_over_uI_all _reflns_shell.meanI_over_uI_gt _reflns_shell.number_measured_gt _reflns_shell.number_unique_gt _reflns_shell.percent_possible_gt _reflns_shell.Rmerge_F_gt _reflns_shell.Rmerge_I_gt _reflns_shell.pdbx_redundancy _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_netI_over_sigmaI_all _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_rejects _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_CC_half _reflns_shell.pdbx_R_split 2.600 2.740 ? 1.300 16418 ? ? 5194 ? 95.000 ? ? ? ? 0.609 ? ? ? ? ? ? ? ? 3.200 0.609 ? ? 1.800 ? 0.440 0 1 1 ? ? 2.740 2.910 ? 1.900 16577 ? ? 5091 ? 97.100 ? ? ? ? 0.407 ? ? ? ? ? ? ? ? 3.300 0.407 ? ? 2.700 ? 0.292 0 2 1 ? ? 2.910 3.110 ? 3.100 16504 ? ? 4864 ? 98.800 ? ? ? ? 0.249 ? ? ? ? ? ? ? ? 3.400 0.249 ? ? 4.200 ? 0.182 0 3 1 ? ? 3.110 3.360 ? 5.800 15900 ? ? 4546 ? 99.200 ? ? ? ? 0.134 ? ? ? ? ? ? ? ? 3.500 0.134 ? ? 7.500 ? 0.097 0 4 1 ? ? 3.360 3.680 ? 9.100 15032 ? ? 4201 ? 99.400 ? ? ? ? 0.084 ? ? ? ? ? ? ? ? 3.600 0.084 ? ? 11.800 ? 0.060 0 5 1 ? ? 3.680 4.110 ? 12.800 13662 ? ? 3805 ? 98.900 ? ? ? ? 0.058 ? ? ? ? ? ? ? ? 3.600 0.058 ? ? 16.100 ? 0.042 0 6 1 ? ? 4.110 4.750 ? 15.900 11612 ? ? 3259 ? 95.700 ? ? ? ? 0.043 ? ? ? ? ? ? ? ? 3.600 0.043 ? ? 21.200 ? 0.031 0 7 1 ? ? 4.750 5.810 ? 16.500 9728 ? ? 2750 ? 95.400 ? ? ? ? 0.041 ? ? ? ? ? ? ? ? 3.500 0.041 ? ? 23.300 ? 0.029 0 8 1 ? ? 5.810 8.220 ? 16.700 7557 ? ? 2166 ? 95.600 ? ? ? ? 0.038 ? ? ? ? ? ? ? ? 3.500 0.038 ? ? 24.700 ? 0.027 0 9 1 ? ? 8.220 78.984 ? 20.800 3910 ? ? 1182 ? 92.200 ? ? ? ? 0.031 ? ? ? ? ? ? ? ? 3.300 0.031 ? ? 29.100 ? 0.023 0 10 1 ? ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5DK2 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 35183 _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 30.00 _refine.ls_d_res_high 2.60 _refine.ls_percent_reflns_obs 97.12 _refine.ls_R_factor_obs 0.22825 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.22518 _refine.ls_R_factor_R_free 0.28866 _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 1848 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.920 _refine.correlation_coeff_Fo_to_Fc_free 0.855 _refine.B_iso_mean 52.122 _refine.aniso_B[1][1] -1.62 _refine.aniso_B[2][2] 0.53 _refine.aniso_B[3][3] 1.04 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.18 _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 ? _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 0.354 _refine.pdbx_overall_ESU_R_Free 0.294 _refine.overall_SU_ML 0.219 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 10.317 _refine.overall_SU_R_Cruickshank_DPI ? _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 4726 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 278 _refine_hist.number_atoms_solvent 105 _refine_hist.number_atoms_total 5109 _refine_hist.d_res_high 2.60 _refine_hist.d_res_low 30.00 # 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 0.008 0.020 ? 5172 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.313 2.016 ? 7113 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.061 5.000 ? 599 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.329 24.928 ? 207 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 16.449 15.000 ? 737 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 13.536 15.000 ? 13 'X-RAY DIFFRACTION' ? r_chiral_restr 0.084 0.200 ? 859 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.005 0.022 ? 3784 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? '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 ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? '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 ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_other ? ? ? ? '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_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.600 _refine_ls_shell.d_res_low 2.667 _refine_ls_shell.number_reflns_R_work 2457 _refine_ls_shell.R_factor_R_work 0.379 _refine_ls_shell.percent_reflns_obs 93.88 _refine_ls_shell.R_factor_R_free 0.415 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 106 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _struct.entry_id 5DK2 _struct.title 'Fc Heterodimer E356K/D399K + K392D/K409D' _struct.pdbx_descriptor 'Ig gamma-1 chain C region, Fc-III peptide' _struct.pdbx_model_details 'Design XXX' _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5DK2 _struct_keywords.text 'Heterodimer, Immunoglobulin, CH3, Fc, Bispecific Antibody, IMMUNE SYSTEM' _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' # 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 1 ? E N N 2 ? F N N 4 ? G N N 4 ? H N N 5 ? I N N 6 ? J N N 4 ? K N N 7 ? L N N 6 ? M N N 8 ? N N N 4 ? O N N 4 ? P N N 5 ? Q N N 6 ? R N N 4 ? S N N 7 ? T N N 6 ? U N N 8 ? V N N 5 ? W N N 6 ? X N N 4 ? Y N N 7 ? Z N N 6 ? AA N N 4 ? BA N N 4 ? CA N N 9 ? DA N N 9 ? EA N N 9 ? # 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 AA1 LYS A 26 ? MET A 32 ? LYS A 246 MET A 252 1 ? 7 HELX_P HELX_P2 AA2 LEU A 89 ? ASN A 95 ? LEU A 309 ASN A 315 1 ? 7 HELX_P HELX_P3 AA3 SER A 134 ? MET A 138 ? SER A 354 MET A 358 5 ? 5 HELX_P HELX_P4 AA4 LYS A 194 ? GLN A 199 ? LYS A 414 GLN A 419 1 ? 6 HELX_P HELX_P5 AA5 LEU A 212 ? TYR A 216 ? LEU A 432 TYR A 436 5 ? 5 HELX_P HELX_P6 AA6 LYS B 39 ? GLU B 45 ? LYS B 246 GLU B 252 1 ? 7 HELX_P HELX_P7 AA7 LEU B 102 ? ASN B 108 ? LEU B 309 ASN B 315 1 ? 7 HELX_P HELX_P8 AA8 SER B 147 ? LYS B 153 ? SER B 354 LYS B 360 5 ? 7 HELX_P HELX_P9 AA9 LYS B 207 ? GLY B 213 ? LYS B 414 GLY B 420 1 ? 7 HELX_P HELX_P10 AB1 LEU B 225 ? ASN B 227 ? LEU B 432 ASN B 434 5 ? 3 HELX_P HELX_P11 AB2 LYS E 39 ? GLU E 45 ? LYS E 246 GLU E 252 1 ? 7 HELX_P HELX_P12 AB3 LEU E 102 ? ASN E 108 ? LEU E 309 ASN E 315 1 ? 7 HELX_P HELX_P13 AB4 LEU E 225 ? TYR E 229 ? LEU E 432 TYR E 436 5 ? 5 # _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 41 SG ? ? ? 1_555 A CYS 101 SG ? ? A CYS 261 A CYS 321 1_555 ? ? ? ? ? ? ? 2.019 ? disulf2 disulf ? ? A CYS 147 SG ? ? ? 1_555 A CYS 205 SG ? ? A CYS 367 A CYS 425 1_555 ? ? ? ? ? ? ? 2.038 ? disulf3 disulf ? ? B CYS 54 SG ? ? ? 1_555 B CYS 114 SG ? ? B CYS 261 B CYS 321 1_555 ? ? ? ? ? ? ? 2.024 ? disulf4 disulf ? ? B CYS 160 SG ? ? ? 1_555 B CYS 218 SG ? ? B CYS 367 B CYS 425 1_555 ? ? ? ? ? ? ? 2.002 ? disulf5 disulf ? ? C CYS 2 SG ? ? ? 1_555 C CYS 12 SG ? ? C CYS 2 C CYS 12 1_555 ? ? ? ? ? ? ? 2.044 ? disulf6 disulf ? ? E CYS 54 SG ? ? ? 1_555 E CYS 114 SG ? ? E CYS 261 E CYS 321 1_555 ? ? ? ? ? ? ? 2.042 ? disulf7 disulf ? ? E CYS 160 SG ? ? ? 1_555 E CYS 218 SG ? ? E CYS 367 E CYS 425 1_555 ? ? ? ? ? ? ? 2.036 ? covale1 covale one ? A ASN 77 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 297 A NAG 501 1_555 ? ? ? ? ? ? ? 1.448 ? covale2 covale one ? B ASN 90 ND2 ? ? ? 1_555 N NAG . C1 ? ? B ASN 297 B NAG 501 1_555 ? ? ? ? ? ? ? 1.439 ? covale3 covale one ? E ASN 90 ND2 ? ? ? 1_555 AA NAG . C1 ? ? E ASN 297 E NAG 506 1_555 ? ? ? ? ? ? ? 1.443 ? covale4 covale both ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.428 ? covale5 covale one ? F NAG . O6 ? ? ? 1_555 M FUC . C1 ? ? A NAG 501 A FUC 508 1_555 ? ? ? ? ? ? ? 1.427 ? covale6 covale both ? G NAG . O4 ? ? ? 1_555 H BMA . C1 ? ? A NAG 502 A BMA 503 1_555 ? ? ? ? ? ? ? 1.449 ? covale7 covale one ? H BMA . O3 ? ? ? 1_555 L MAN . C1 ? ? A BMA 503 A MAN 507 1_555 ? ? ? ? ? ? ? 1.450 ? covale8 covale one ? H BMA . O6 ? ? ? 1_555 I MAN . C1 ? ? A BMA 503 A MAN 504 1_555 ? ? ? ? ? ? ? 1.439 ? covale9 covale one ? I MAN . O2 ? ? ? 1_555 J NAG . C1 ? ? A MAN 504 A NAG 505 1_555 ? ? ? ? ? ? ? 1.442 ? covale10 covale both ? J NAG . O4 ? ? ? 1_555 K GAL . C1 ? ? A NAG 505 A GAL 506 1_555 ? ? ? ? ? ? ? 1.463 ? covale11 covale both ? N NAG . O4 ? ? ? 1_555 O NAG . C1 ? ? B NAG 501 B NAG 502 1_555 ? ? ? ? ? ? ? 1.440 ? covale12 covale one ? N NAG . O6 ? ? ? 1_555 U FUC . C1 ? ? B NAG 501 B FUC 508 1_555 ? ? ? ? ? ? ? 1.456 ? covale13 covale both ? O NAG . O4 ? ? ? 1_555 P BMA . C1 ? ? B NAG 502 B BMA 503 1_555 ? ? ? ? ? ? ? 1.441 ? covale14 covale one ? P BMA . O3 ? ? ? 1_555 T MAN . C1 ? ? B BMA 503 B MAN 507 1_555 ? ? ? ? ? ? ? 1.437 ? covale15 covale one ? P BMA . O6 ? ? ? 1_555 Q MAN . C1 ? ? B BMA 503 B MAN 504 1_555 ? ? ? ? ? ? ? 1.429 ? covale16 covale one ? Q MAN . O2 ? ? ? 1_555 R NAG . C1 ? ? B MAN 504 B NAG 505 1_555 ? ? ? ? ? ? ? 1.438 ? covale17 covale both ? R NAG . O4 ? ? ? 1_555 S GAL . C1 ? ? B NAG 505 B GAL 506 1_555 ? ? ? ? ? ? ? 1.444 ? covale18 covale both ? V BMA . C1 ? ? ? 1_555 BA NAG . O4 ? ? E BMA 501 E NAG 507 1_555 ? ? ? ? ? ? ? 1.442 ? covale19 covale one ? V BMA . O3 ? ? ? 1_555 Z MAN . C1 ? ? E BMA 501 E MAN 505 1_555 ? ? ? ? ? ? ? 1.450 ? covale20 covale one ? V BMA . O6 ? ? ? 1_555 W MAN . C1 ? ? E BMA 501 E MAN 502 1_555 ? ? ? ? ? ? ? 1.440 ? covale21 covale one ? W MAN . O2 ? ? ? 1_555 X NAG . C1 ? ? E MAN 502 E NAG 503 1_555 ? ? ? ? ? ? ? 1.440 ? covale22 covale both ? X NAG . O4 ? ? ? 1_555 Y GAL . C1 ? ? E NAG 503 E GAL 504 1_555 ? ? ? ? ? ? ? 1.447 ? covale23 covale both ? AA NAG . O4 ? ? ? 1_555 BA NAG . C1 ? ? E NAG 506 E NAG 507 1_555 ? ? ? ? ? ? ? 1.439 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TYR 153 A . ? TYR 373 A PRO 154 A ? PRO 374 A 1 -3.11 2 TYR 166 B . ? TYR 373 B PRO 167 B ? PRO 374 B 1 -3.06 3 TYR 89 E . ? TYR 296 E ASN 90 E ? ASN 297 E 1 19.46 4 TYR 166 E . ? TYR 373 E PRO 167 E ? PRO 374 E 1 -4.61 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 4 ? AA3 ? 4 ? AA4 ? 4 ? AA5 ? 4 ? AA6 ? 4 ? AA7 ? 4 ? AA8 ? 4 ? AA9 ? 4 ? AB1 ? 4 ? AB2 ? 4 ? AB3 ? 4 ? AB4 ? 2 ? AB5 ? 3 ? AB6 ? 4 ? AB7 ? 4 ? AB8 ? 4 ? AB9 ? 4 ? AC1 ? 2 ? # 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 AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA6 3 4 ? anti-parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel AB2 1 2 ? anti-parallel AB2 2 3 ? anti-parallel AB2 3 4 ? anti-parallel AB3 1 2 ? anti-parallel AB3 2 3 ? anti-parallel AB3 3 4 ? anti-parallel AB4 1 2 ? anti-parallel AB5 1 2 ? anti-parallel AB5 2 3 ? anti-parallel AB6 1 2 ? anti-parallel AB6 2 3 ? anti-parallel AB6 3 4 ? anti-parallel AB7 1 2 ? anti-parallel AB7 2 3 ? anti-parallel AB7 3 4 ? anti-parallel AB8 1 2 ? anti-parallel AB8 2 3 ? anti-parallel AB8 3 4 ? anti-parallel AB9 1 2 ? anti-parallel AB9 2 3 ? anti-parallel AB9 3 4 ? anti-parallel AC1 1 2 ? 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 AA1 1 SER A 19 ? PHE A 23 ? SER A 239 PHE A 243 AA1 2 GLU A 38 ? VAL A 46 ? GLU A 258 VAL A 266 AA1 3 TYR A 80 ? THR A 87 ? TYR A 300 THR A 307 AA1 4 LYS A 68 ? THR A 69 ? LYS A 288 THR A 289 AA2 1 SER A 19 ? PHE A 23 ? SER A 239 PHE A 243 AA2 2 GLU A 38 ? VAL A 46 ? GLU A 258 VAL A 266 AA2 3 TYR A 80 ? THR A 87 ? TYR A 300 THR A 307 AA2 4 GLU A 73 ? GLU A 74 ? GLU A 293 GLU A 294 AA3 1 VAL A 62 ? VAL A 64 ? VAL A 282 VAL A 284 AA3 2 LYS A 54 ? VAL A 59 ? LYS A 274 VAL A 279 AA3 3 TYR A 99 ? SER A 104 ? TYR A 319 SER A 324 AA3 4 ILE A 112 ? ILE A 116 ? ILE A 332 ILE A 336 AA4 1 GLN A 127 ? LEU A 131 ? GLN A 347 LEU A 351 AA4 2 GLN A 142 ? PHE A 152 ? GLN A 362 PHE A 372 AA4 3 PHE A 184 ? ASP A 193 ? PHE A 404 ASP A 413 AA4 4 TYR A 171 ? THR A 173 ? TYR A 391 THR A 393 AA5 1 GLN A 127 ? LEU A 131 ? GLN A 347 LEU A 351 AA5 2 GLN A 142 ? PHE A 152 ? GLN A 362 PHE A 372 AA5 3 PHE A 184 ? ASP A 193 ? PHE A 404 ASP A 413 AA5 4 VAL A 177 ? LEU A 178 ? VAL A 397 LEU A 398 AA6 1 GLN A 166 ? PRO A 167 ? GLN A 386 PRO A 387 AA6 2 ALA A 158 ? SER A 163 ? ALA A 378 SER A 383 AA6 3 PHE A 203 ? MET A 208 ? PHE A 423 MET A 428 AA6 4 THR A 217 ? LEU A 221 ? THR A 437 LEU A 441 AA7 1 SER B 32 ? PHE B 36 ? SER B 239 PHE B 243 AA7 2 GLU B 51 ? VAL B 59 ? GLU B 258 VAL B 266 AA7 3 TYR B 93 ? THR B 100 ? TYR B 300 THR B 307 AA7 4 LYS B 81 ? THR B 82 ? LYS B 288 THR B 289 AA8 1 SER B 32 ? PHE B 36 ? SER B 239 PHE B 243 AA8 2 GLU B 51 ? VAL B 59 ? GLU B 258 VAL B 266 AA8 3 TYR B 93 ? THR B 100 ? TYR B 300 THR B 307 AA8 4 GLU B 86 ? GLU B 87 ? GLU B 293 GLU B 294 AA9 1 VAL B 75 ? VAL B 77 ? VAL B 282 VAL B 284 AA9 2 LYS B 67 ? VAL B 72 ? LYS B 274 VAL B 279 AA9 3 TYR B 112 ? SER B 117 ? TYR B 319 SER B 324 AA9 4 ILE B 125 ? ILE B 129 ? ILE B 332 ILE B 336 AB1 1 GLN B 140 ? LEU B 144 ? GLN B 347 LEU B 351 AB1 2 GLN B 155 ? PHE B 165 ? GLN B 362 PHE B 372 AB1 3 PHE B 197 ? ASP B 206 ? PHE B 404 ASP B 413 AB1 4 TYR B 184 ? THR B 186 ? TYR B 391 THR B 393 AB2 1 GLN B 140 ? LEU B 144 ? GLN B 347 LEU B 351 AB2 2 GLN B 155 ? PHE B 165 ? GLN B 362 PHE B 372 AB2 3 PHE B 197 ? ASP B 206 ? PHE B 404 ASP B 413 AB2 4 VAL B 190 ? LEU B 191 ? VAL B 397 LEU B 398 AB3 1 GLN B 179 ? PRO B 180 ? GLN B 386 PRO B 387 AB3 2 ALA B 171 ? SER B 176 ? ALA B 378 SER B 383 AB3 3 PHE B 216 ? MET B 221 ? PHE B 423 MET B 428 AB3 4 TYR B 229 ? LEU B 234 ? TYR B 436 LEU B 441 AB4 1 CYS C 2 ? HIS C 5 ? CYS C 2 HIS C 5 AB4 2 GLU C 8 ? CYS C 12 ? GLU C 8 CYS C 12 AB5 1 VAL D 149 ? LYS D 150 ? VAL D 369 LYS D 370 AB5 2 PHE D 184 ? LEU D 186 ? PHE D 404 LEU D 406 AB5 3 VAL D 177 ? LEU D 178 ? VAL D 397 LEU D 398 AB6 1 SER E 32 ? PHE E 36 ? SER E 239 PHE E 243 AB6 2 GLU E 51 ? VAL E 59 ? GLU E 258 VAL E 266 AB6 3 TYR E 93 ? THR E 100 ? TYR E 300 THR E 307 AB6 4 LYS E 81 ? THR E 82 ? LYS E 288 THR E 289 AB7 1 SER E 32 ? PHE E 36 ? SER E 239 PHE E 243 AB7 2 GLU E 51 ? VAL E 59 ? GLU E 258 VAL E 266 AB7 3 TYR E 93 ? THR E 100 ? TYR E 300 THR E 307 AB7 4 GLU E 86 ? GLU E 87 ? GLU E 293 GLU E 294 AB8 1 VAL E 75 ? VAL E 77 ? VAL E 282 VAL E 284 AB8 2 LYS E 67 ? VAL E 72 ? LYS E 274 VAL E 279 AB8 3 TYR E 112 ? SER E 117 ? TYR E 319 SER E 324 AB8 4 ILE E 125 ? ILE E 129 ? ILE E 332 ILE E 336 AB9 1 GLN E 140 ? TYR E 142 ? GLN E 347 TYR E 349 AB9 2 LEU E 161 ? PHE E 165 ? LEU E 368 PHE E 372 AB9 3 PHE E 197 ? LEU E 199 ? PHE E 404 LEU E 406 AB9 4 VAL E 190 ? LEU E 191 ? VAL E 397 LEU E 398 AC1 1 ALA E 171 ? GLU E 173 ? ALA E 378 GLU E 380 AC1 2 SER E 219 ? MET E 221 ? SER E 426 MET E 428 # 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 AA1 1 2 N PHE A 21 ? N PHE A 241 O VAL A 42 ? O VAL A 262 AA1 2 3 N VAL A 43 ? N VAL A 263 O VAL A 82 ? O VAL A 302 AA1 3 4 O VAL A 85 ? O VAL A 305 N LYS A 68 ? N LYS A 288 AA2 1 2 N PHE A 21 ? N PHE A 241 O VAL A 42 ? O VAL A 262 AA2 2 3 N VAL A 43 ? N VAL A 263 O VAL A 82 ? O VAL A 302 AA2 3 4 O ARG A 81 ? O ARG A 301 N GLU A 73 ? N GLU A 293 AA3 1 2 O VAL A 62 ? O VAL A 282 N VAL A 59 ? N VAL A 279 AA3 2 3 N ASN A 56 ? N ASN A 276 O LYS A 102 ? O LYS A 322 AA3 3 4 N TYR A 99 ? N TYR A 319 O ILE A 116 ? O ILE A 336 AA4 1 2 N LEU A 131 ? N LEU A 351 O THR A 146 ? O THR A 366 AA4 2 3 N LEU A 145 ? N LEU A 365 O LEU A 190 ? O LEU A 410 AA4 3 4 O LYS A 189 ? O LYS A 409 N LYS A 172 ? N LYS A 392 AA5 1 2 N LEU A 131 ? N LEU A 351 O THR A 146 ? O THR A 366 AA5 2 3 N LEU A 145 ? N LEU A 365 O LEU A 190 ? O LEU A 410 AA5 3 4 O PHE A 185 ? O PHE A 405 N VAL A 177 ? N VAL A 397 AA6 1 2 O GLN A 166 ? O GLN A 386 N SER A 163 ? N SER A 383 AA6 2 3 N GLU A 160 ? N GLU A 380 O SER A 206 ? O SER A 426 AA6 3 4 N PHE A 203 ? N PHE A 423 O LEU A 221 ? O LEU A 441 AA7 1 2 N PHE B 36 ? N PHE B 243 O THR B 53 ? O THR B 260 AA7 2 3 N VAL B 52 ? N VAL B 259 O LEU B 99 ? O LEU B 306 AA7 3 4 O VAL B 98 ? O VAL B 305 N LYS B 81 ? N LYS B 288 AA8 1 2 N PHE B 36 ? N PHE B 243 O THR B 53 ? O THR B 260 AA8 2 3 N VAL B 52 ? N VAL B 259 O LEU B 99 ? O LEU B 306 AA8 3 4 O ARG B 94 ? O ARG B 301 N GLU B 86 ? N GLU B 293 AA9 1 2 O VAL B 77 ? O VAL B 284 N TRP B 70 ? N TRP B 277 AA9 2 3 N ASN B 69 ? N ASN B 276 O LYS B 115 ? O LYS B 322 AA9 3 4 N CYS B 114 ? N CYS B 321 O LYS B 127 ? O LYS B 334 AB1 1 2 N TYR B 142 ? N TYR B 349 O LEU B 161 ? O LEU B 368 AB1 2 3 N LEU B 158 ? N LEU B 365 O LEU B 203 ? O LEU B 410 AB1 3 4 O ASP B 202 ? O ASP B 409 N ASP B 185 ? N ASP B 392 AB2 1 2 N TYR B 142 ? N TYR B 349 O LEU B 161 ? O LEU B 368 AB2 2 3 N LEU B 158 ? N LEU B 365 O LEU B 203 ? O LEU B 410 AB2 3 4 O PHE B 198 ? O PHE B 405 N VAL B 190 ? N VAL B 397 AB3 1 2 O GLN B 179 ? O GLN B 386 N SER B 176 ? N SER B 383 AB3 2 3 N GLU B 175 ? N GLU B 382 O SER B 217 ? O SER B 424 AB3 3 4 N PHE B 216 ? N PHE B 423 O LEU B 234 ? O LEU B 441 AB4 1 2 N HIS C 5 ? N HIS C 5 O GLU C 8 ? O GLU C 8 AB5 1 2 N VAL D 149 ? N VAL D 369 O LEU D 186 ? O LEU D 406 AB5 2 3 O PHE D 185 ? O PHE D 405 N VAL D 177 ? N VAL D 397 AB6 1 2 N SER E 32 ? N SER E 239 O VAL E 57 ? O VAL E 264 AB6 2 3 N CYS E 54 ? N CYS E 261 O SER E 97 ? O SER E 304 AB6 3 4 O VAL E 98 ? O VAL E 305 N LYS E 81 ? N LYS E 288 AB7 1 2 N SER E 32 ? N SER E 239 O VAL E 57 ? O VAL E 264 AB7 2 3 N CYS E 54 ? N CYS E 261 O SER E 97 ? O SER E 304 AB7 3 4 O ARG E 94 ? O ARG E 301 N GLU E 86 ? N GLU E 293 AB8 1 2 O VAL E 75 ? O VAL E 282 N VAL E 72 ? N VAL E 279 AB8 2 3 N TYR E 71 ? N TYR E 278 O LYS E 113 ? O LYS E 320 AB8 3 4 N TYR E 112 ? N TYR E 319 O ILE E 129 ? O ILE E 336 AB9 1 2 N GLN E 140 ? N GLN E 347 O LYS E 163 ? O LYS E 370 AB9 2 3 N VAL E 162 ? N VAL E 369 O LEU E 199 ? O LEU E 406 AB9 3 4 O PHE E 198 ? O PHE E 405 N VAL E 190 ? N VAL E 397 AC1 1 2 N GLU E 173 ? N GLU E 380 O SER E 219 ? O SER E 426 # 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 A ASN 297 ? 14 'binding site for Poly-Saccharide residues NAG A 501 through FUC A 508 bound to ASN A 297' AC2 Software B ASN 297 ? 12 'binding site for Poly-Saccharide residues NAG B 501 through FUC B 508 bound to ASN B 297' AC3 Software E ASN 297 ? 12 'binding site for Poly-Saccharide residues BMA E 501 through NAG E 507 bound to ASN E 297' # 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 14 PHE A 21 ? PHE A 241 . ? 1_555 ? 2 AC1 14 PHE A 23 ? PHE A 243 . ? 1_555 ? 3 AC1 14 PRO A 24 ? PRO A 244 . ? 1_555 ? 4 AC1 14 LYS A 26 ? LYS A 246 . ? 1_555 ? 5 AC1 14 GLU A 38 ? GLU A 258 . ? 1_555 ? 6 AC1 14 THR A 40 ? THR A 260 . ? 1_555 ? 7 AC1 14 VAL A 44 ? VAL A 264 . ? 1_555 ? 8 AC1 14 ASP A 45 ? ASP A 265 . ? 1_555 ? 9 AC1 14 GLN A 75 ? GLN A 295 . ? 1_555 ? 10 AC1 14 ASN A 77 ? ASN A 297 . ? 1_555 ? 11 AC1 14 ARG A 81 ? ARG A 301 . ? 1_555 ? 12 AC1 14 HOH CA . ? HOH A 602 . ? 1_555 ? 13 AC1 14 HOH CA . ? HOH A 603 . ? 1_555 ? 14 AC1 14 HOH CA . ? HOH A 632 . ? 1_555 ? 15 AC2 12 PHE B 36 ? PHE B 243 . ? 1_555 ? 16 AC2 12 PRO B 37 ? PRO B 244 . ? 1_555 ? 17 AC2 12 LYS B 39 ? LYS B 246 . ? 1_555 ? 18 AC2 12 GLU B 51 ? GLU B 258 . ? 1_555 ? 19 AC2 12 THR B 53 ? THR B 260 . ? 1_555 ? 20 AC2 12 VAL B 57 ? VAL B 264 . ? 1_555 ? 21 AC2 12 ASP B 58 ? ASP B 265 . ? 1_555 ? 22 AC2 12 GLN B 88 ? GLN B 295 . ? 1_555 ? 23 AC2 12 ASN B 90 ? ASN B 297 . ? 1_555 ? 24 AC2 12 THR B 92 ? THR B 299 . ? 1_555 ? 25 AC2 12 ARG B 94 ? ARG B 301 . ? 1_555 ? 26 AC2 12 HOH DA . ? HOH B 601 . ? 1_555 ? 27 AC3 12 PHE E 34 ? PHE E 241 . ? 1_555 ? 28 AC3 12 PHE E 36 ? PHE E 243 . ? 1_555 ? 29 AC3 12 PRO E 37 ? PRO E 244 . ? 1_555 ? 30 AC3 12 LYS E 39 ? LYS E 246 . ? 1_555 ? 31 AC3 12 GLU E 51 ? GLU E 258 . ? 1_555 ? 32 AC3 12 THR E 53 ? THR E 260 . ? 1_555 ? 33 AC3 12 VAL E 57 ? VAL E 264 . ? 1_555 ? 34 AC3 12 ASP E 58 ? ASP E 265 . ? 1_555 ? 35 AC3 12 GLN E 88 ? GLN E 295 . ? 1_555 ? 36 AC3 12 ASN E 90 ? ASN E 297 . ? 1_555 ? 37 AC3 12 ARG E 94 ? ARG E 301 . ? 1_555 ? 38 AC3 12 HOH EA . ? HOH E 601 . ? 1_555 ? # _atom_sites.entry_id 5DK2 _atom_sites.fract_transf_matrix[1][1] 0.015419 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.002116 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.016511 _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] 0.006330 _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 . GLY A 1 17 ? 15.874 13.496 -15.626 1.00 59.92 ? 237 GLY A N 1 ATOM 2 C CA . GLY A 1 17 ? 16.236 12.050 -15.654 1.00 51.65 ? 237 GLY A CA 1 ATOM 3 C C . GLY A 1 17 ? 17.019 11.597 -14.429 1.00 48.14 ? 237 GLY A C 1 ATOM 4 O O . GLY A 1 17 ? 16.632 11.898 -13.291 1.00 38.57 ? 237 GLY A O 1 ATOM 5 N N . PRO A 1 18 ? 18.125 10.855 -14.651 1.00 44.29 ? 238 PRO A N 1 ATOM 6 C CA . PRO A 1 18 ? 18.921 10.339 -13.536 1.00 43.20 ? 238 PRO A CA 1 ATOM 7 C C . PRO A 1 18 ? 19.612 11.424 -12.725 1.00 41.81 ? 238 PRO A C 1 ATOM 8 O O . PRO A 1 18 ? 19.903 12.505 -13.248 1.00 43.23 ? 238 PRO A O 1 ATOM 9 C CB . PRO A 1 18 ? 19.960 9.435 -14.211 1.00 40.35 ? 238 PRO A CB 1 ATOM 10 C CG . PRO A 1 18 ? 19.943 9.814 -15.644 1.00 41.14 ? 238 PRO A CG 1 ATOM 11 C CD . PRO A 1 18 ? 18.570 10.311 -15.944 1.00 39.10 ? 238 PRO A CD 1 ATOM 12 N N . SER A 1 19 ? 19.831 11.128 -11.445 1.00 37.66 ? 239 SER A N 1 ATOM 13 C CA . SER A 1 19 ? 20.617 11.968 -10.543 1.00 34.24 ? 239 SER A CA 1 ATOM 14 C C . SER A 1 19 ? 21.854 11.196 -10.135 1.00 39.44 ? 239 SER A C 1 ATOM 15 O O . SER A 1 19 ? 21.819 9.954 -10.055 1.00 34.36 ? 239 SER A O 1 ATOM 16 C CB . SER A 1 19 ? 19.829 12.305 -9.289 1.00 31.92 ? 239 SER A CB 1 ATOM 17 O OG . SER A 1 19 ? 18.719 13.118 -9.592 1.00 44.12 ? 239 SER A OG 1 ATOM 18 N N . VAL A 1 20 ? 22.939 11.928 -9.873 1.00 36.43 ? 240 VAL A N 1 ATOM 19 C CA . VAL A 1 20 ? 24.214 11.318 -9.491 1.00 33.11 ? 240 VAL A CA 1 ATOM 20 C C . VAL A 1 20 ? 24.649 11.773 -8.082 1.00 39.28 ? 240 VAL A C 1 ATOM 21 O O . VAL A 1 20 ? 24.632 12.965 -7.767 1.00 38.84 ? 240 VAL A O 1 ATOM 22 C CB . VAL A 1 20 ? 25.315 11.619 -10.538 1.00 31.31 ? 240 VAL A CB 1 ATOM 23 C CG1 . VAL A 1 20 ? 26.592 10.852 -10.234 1.00 34.90 ? 240 VAL A CG1 1 ATOM 24 C CG2 . VAL A 1 20 ? 24.843 11.261 -11.941 1.00 39.54 ? 240 VAL A CG2 1 ATOM 25 N N . PHE A 1 21 ? 25.024 10.818 -7.234 1.00 35.26 ? 241 PHE A N 1 ATOM 26 C CA . PHE A 1 21 ? 25.648 11.139 -5.954 1.00 32.21 ? 241 PHE A CA 1 ATOM 27 C C . PHE A 1 21 ? 27.001 10.444 -5.818 1.00 32.99 ? 241 PHE A C 1 ATOM 28 O O . PHE A 1 21 ? 27.140 9.271 -6.170 1.00 35.66 ? 241 PHE A O 1 ATOM 29 C CB . PHE A 1 21 ? 24.712 10.782 -4.801 1.00 38.05 ? 241 PHE A CB 1 ATOM 30 C CG . PHE A 1 21 ? 23.398 11.492 -4.870 1.00 37.08 ? 241 PHE A CG 1 ATOM 31 C CD1 . PHE A 1 21 ? 23.271 12.791 -4.394 1.00 34.13 ? 241 PHE A CD1 1 ATOM 32 C CD2 . PHE A 1 21 ? 22.292 10.882 -5.457 1.00 36.86 ? 241 PHE A CD2 1 ATOM 33 C CE1 . PHE A 1 21 ? 22.058 13.461 -4.483 1.00 40.11 ? 241 PHE A CE1 1 ATOM 34 C CE2 . PHE A 1 21 ? 21.081 11.551 -5.559 1.00 33.94 ? 241 PHE A CE2 1 ATOM 35 C CZ . PHE A 1 21 ? 20.960 12.838 -5.067 1.00 33.82 ? 241 PHE A CZ 1 ATOM 36 N N . LEU A 1 22 ? 27.994 11.183 -5.324 1.00 35.85 ? 242 LEU A N 1 ATOM 37 C CA . LEU A 1 22 ? 29.361 10.677 -5.143 1.00 34.33 ? 242 LEU A CA 1 ATOM 38 C C . LEU A 1 22 ? 29.682 10.571 -3.649 1.00 35.80 ? 242 LEU A C 1 ATOM 39 O O . LEU A 1 22 ? 29.567 11.561 -2.918 1.00 36.29 ? 242 LEU A O 1 ATOM 40 C CB . LEU A 1 22 ? 30.371 11.595 -5.856 1.00 26.96 ? 242 LEU A CB 1 ATOM 41 C CG . LEU A 1 22 ? 31.765 11.052 -6.219 1.00 28.39 ? 242 LEU A CG 1 ATOM 42 C CD1 . LEU A 1 22 ? 31.692 9.609 -6.717 1.00 25.67 ? 242 LEU A CD1 1 ATOM 43 C CD2 . LEU A 1 22 ? 32.462 11.934 -7.255 1.00 24.32 ? 242 LEU A CD2 1 ATOM 44 N N . PHE A 1 23 ? 30.084 9.382 -3.198 1.00 32.97 ? 243 PHE A N 1 ATOM 45 C CA . PHE A 1 23 ? 30.320 9.138 -1.772 1.00 30.13 ? 243 PHE A CA 1 ATOM 46 C C . PHE A 1 23 ? 31.768 8.768 -1.484 1.00 34.29 ? 243 PHE A C 1 ATOM 47 O O . PHE A 1 23 ? 32.368 8.002 -2.239 1.00 31.60 ? 243 PHE A O 1 ATOM 48 C CB . PHE A 1 23 ? 29.388 8.047 -1.244 1.00 28.68 ? 243 PHE A CB 1 ATOM 49 C CG . PHE A 1 23 ? 27.935 8.430 -1.279 1.00 38.12 ? 243 PHE A CG 1 ATOM 50 C CD1 . PHE A 1 23 ? 27.384 9.243 -0.282 1.00 34.70 ? 243 PHE A CD1 1 ATOM 51 C CD2 . PHE A 1 23 ? 27.110 7.990 -2.318 1.00 36.98 ? 243 PHE A CD2 1 ATOM 52 C CE1 . PHE A 1 23 ? 26.040 9.599 -0.319 1.00 40.80 ? 243 PHE A CE1 1 ATOM 53 C CE2 . PHE A 1 23 ? 25.768 8.345 -2.360 1.00 35.35 ? 243 PHE A CE2 1 ATOM 54 C CZ . PHE A 1 23 ? 25.230 9.149 -1.359 1.00 37.57 ? 243 PHE A CZ 1 ATOM 55 N N . PRO A 1 24 ? 32.327 9.295 -0.371 1.00 37.61 ? 244 PRO A N 1 ATOM 56 C CA . PRO A 1 24 ? 33.727 9.096 -0.008 1.00 37.34 ? 244 PRO A CA 1 ATOM 57 C C . PRO A 1 24 ? 33.968 7.691 0.560 1.00 36.38 ? 244 PRO A C 1 ATOM 58 O O . PRO A 1 24 ? 33.016 6.961 0.804 1.00 34.76 ? 244 PRO A O 1 ATOM 59 C CB . PRO A 1 24 ? 33.931 10.143 1.086 1.00 34.88 ? 244 PRO A CB 1 ATOM 60 C CG . PRO A 1 24 ? 32.619 10.154 1.788 1.00 25.72 ? 244 PRO A CG 1 ATOM 61 C CD . PRO A 1 24 ? 31.615 10.060 0.673 1.00 30.48 ? 244 PRO A CD 1 ATOM 62 N N . PRO A 1 25 ? 35.239 7.309 0.765 1.00 36.82 ? 245 PRO A N 1 ATOM 63 C CA . PRO A 1 25 ? 35.483 6.041 1.456 1.00 28.64 ? 245 PRO A CA 1 ATOM 64 C C . PRO A 1 25 ? 35.285 6.211 2.951 1.00 29.95 ? 245 PRO A C 1 ATOM 65 O O . PRO A 1 25 ? 35.223 7.347 3.442 1.00 29.31 ? 245 PRO A O 1 ATOM 66 C CB . PRO A 1 25 ? 36.944 5.747 1.151 1.00 29.86 ? 245 PRO A CB 1 ATOM 67 C CG . PRO A 1 25 ? 37.544 7.066 0.816 1.00 38.49 ? 245 PRO A CG 1 ATOM 68 C CD . PRO A 1 25 ? 36.470 7.931 0.250 1.00 32.18 ? 245 PRO A CD 1 ATOM 69 N N . LYS A 1 26 ? 35.164 5.095 3.662 1.00 27.87 ? 246 LYS A N 1 ATOM 70 C CA . LYS A 1 26 ? 35.090 5.115 5.112 1.00 33.18 ? 246 LYS A CA 1 ATOM 71 C C . LYS A 1 26 ? 36.416 5.644 5.692 1.00 36.28 ? 246 LYS A C 1 ATOM 72 O O . LYS A 1 26 ? 37.483 5.369 5.137 1.00 34.90 ? 246 LYS A O 1 ATOM 73 C CB . LYS A 1 26 ? 34.780 3.707 5.639 1.00 35.58 ? 246 LYS A CB 1 ATOM 74 C CG . LYS A 1 26 ? 33.345 3.232 5.390 1.00 46.67 ? 246 LYS A CG 1 ATOM 75 C CD . LYS A 1 26 ? 32.309 4.091 6.138 1.00 65.98 ? 246 LYS A CD 1 ATOM 76 C CE . LYS A 1 26 ? 30.861 3.634 5.936 1.00 56.92 ? 246 LYS A CE 1 ATOM 77 N NZ . LYS A 1 26 ? 30.327 3.932 4.570 1.00 50.29 ? 246 LYS A NZ 1 ATOM 78 N N . PRO A 1 27 ? 36.355 6.412 6.799 1.00 34.45 ? 247 PRO A N 1 ATOM 79 C CA . PRO A 1 27 ? 37.588 6.888 7.431 1.00 33.50 ? 247 PRO A CA 1 ATOM 80 C C . PRO A 1 27 ? 38.632 5.801 7.667 1.00 35.65 ? 247 PRO A C 1 ATOM 81 O O . PRO A 1 27 ? 39.759 5.935 7.178 1.00 40.40 ? 247 PRO A O 1 ATOM 82 C CB . PRO A 1 27 ? 37.090 7.476 8.749 1.00 37.37 ? 247 PRO A CB 1 ATOM 83 C CG . PRO A 1 27 ? 35.738 8.017 8.381 1.00 30.00 ? 247 PRO A CG 1 ATOM 84 C CD . PRO A 1 27 ? 35.162 6.960 7.476 1.00 30.67 ? 247 PRO A CD 1 ATOM 85 N N . LYS A 1 28 ? 38.265 4.726 8.369 1.00 34.93 ? 248 LYS A N 1 ATOM 86 C CA . LYS A 1 28 ? 39.212 3.629 8.666 1.00 36.09 ? 248 LYS A CA 1 ATOM 87 C C . LYS A 1 28 ? 39.877 3.051 7.413 1.00 40.86 ? 248 LYS A C 1 ATOM 88 O O . LYS A 1 28 ? 41.082 2.746 7.418 1.00 42.82 ? 248 LYS A O 1 ATOM 89 C CB . LYS A 1 28 ? 38.555 2.500 9.468 1.00 32.08 ? 248 LYS A CB 1 ATOM 90 C CG . LYS A 1 28 ? 38.526 2.712 10.971 1.00 33.96 ? 248 LYS A CG 1 ATOM 91 C CD . LYS A 1 28 ? 37.842 1.556 11.706 1.00 39.13 ? 248 LYS A CD 1 ATOM 92 C CE . LYS A 1 28 ? 38.853 0.527 12.195 1.00 49.10 ? 248 LYS A CE 1 ATOM 93 N NZ . LYS A 1 28 ? 38.405 -0.210 13.413 1.00 48.28 ? 248 LYS A NZ 1 ATOM 94 N N . ASP A 1 29 ? 39.101 2.925 6.340 1.00 34.39 ? 249 ASP A N 1 ATOM 95 C CA . ASP A 1 29 ? 39.611 2.347 5.106 1.00 34.72 ? 249 ASP A CA 1 ATOM 96 C C . ASP A 1 29 ? 40.729 3.171 4.495 1.00 33.38 ? 249 ASP A C 1 ATOM 97 O O . ASP A 1 29 ? 41.593 2.647 3.787 1.00 29.32 ? 249 ASP A O 1 ATOM 98 C CB . ASP A 1 29 ? 38.480 2.139 4.105 1.00 43.52 ? 249 ASP A CB 1 ATOM 99 C CG . ASP A 1 29 ? 37.505 1.052 4.542 1.00 50.66 ? 249 ASP A CG 1 ATOM 100 O OD1 . ASP A 1 29 ? 37.658 0.501 5.660 1.00 61.63 ? 249 ASP A OD1 1 ATOM 101 O OD2 . ASP A 1 29 ? 36.578 0.755 3.764 1.00 55.21 ? 249 ASP A OD2 1 ATOM 102 N N . THR A 1 30 ? 40.721 4.464 4.783 1.00 36.37 ? 250 THR A N 1 ATOM 103 C CA . THR A 1 30 ? 41.739 5.362 4.248 1.00 36.77 ? 250 THR A CA 1 ATOM 104 C C . THR A 1 30 ? 42.963 5.376 5.157 1.00 34.24 ? 250 THR A C 1 ATOM 105 O O . THR A 1 30 ? 44.059 5.724 4.721 1.00 29.62 ? 250 THR A O 1 ATOM 106 C CB . THR A 1 30 ? 41.218 6.806 4.145 1.00 34.54 ? 250 THR A CB 1 ATOM 107 O OG1 . THR A 1 30 ? 40.734 7.225 5.427 1.00 37.80 ? 250 THR A OG1 1 ATOM 108 C CG2 . THR A 1 30 ? 40.105 6.900 3.141 1.00 35.61 ? 250 THR A CG2 1 ATOM 109 N N . LEU A 1 31 ? 42.760 5.002 6.420 1.00 30.59 ? 251 LEU A N 1 ATOM 110 C CA . LEU A 1 31 ? 43.782 5.167 7.443 1.00 27.02 ? 251 LEU A CA 1 ATOM 111 C C . LEU A 1 31 ? 44.593 3.886 7.664 1.00 28.73 ? 251 LEU A C 1 ATOM 112 O O . LEU A 1 31 ? 45.772 3.947 7.967 1.00 31.91 ? 251 LEU A O 1 ATOM 113 C CB . LEU A 1 31 ? 43.154 5.681 8.750 1.00 25.89 ? 251 LEU A CB 1 ATOM 114 C CG . LEU A 1 31 ? 42.483 7.072 8.761 1.00 24.33 ? 251 LEU A CG 1 ATOM 115 C CD1 . LEU A 1 31 ? 41.820 7.380 10.095 1.00 22.83 ? 251 LEU A CD1 1 ATOM 116 C CD2 . LEU A 1 31 ? 43.476 8.169 8.432 1.00 24.61 ? 251 LEU A CD2 1 ATOM 117 N N . MET A 1 32 ? 43.951 2.738 7.485 1.00 27.02 ? 252 MET A N 1 ATOM 118 C CA . MET A 1 32 ? 44.583 1.445 7.644 1.00 25.49 ? 252 MET A CA 1 ATOM 119 C C . MET A 1 32 ? 45.018 0.917 6.284 1.00 27.91 ? 252 MET A C 1 ATOM 120 O O . MET A 1 32 ? 44.195 0.536 5.429 1.00 25.32 ? 252 MET A O 1 ATOM 121 C CB . MET A 1 32 ? 43.624 0.441 8.322 1.00 28.60 ? 252 MET A CB 1 ATOM 122 C CG . MET A 1 32 ? 43.159 0.841 9.719 1.00 28.63 ? 252 MET A CG 1 ATOM 123 S SD . MET A 1 32 ? 42.012 -0.310 10.527 1.00 39.37 ? 252 MET A SD 1 ATOM 124 C CE . MET A 1 32 ? 43.083 -1.660 11.012 1.00 28.65 ? 252 MET A CE 1 ATOM 125 N N . ILE A 1 33 ? 46.333 0.886 6.108 1.00 35.03 ? 253 ILE A N 1 ATOM 126 C CA . ILE A 1 33 ? 46.993 0.322 4.923 1.00 32.42 ? 253 ILE A CA 1 ATOM 127 C C . ILE A 1 33 ? 46.603 -1.129 4.620 1.00 28.35 ? 253 ILE A C 1 ATOM 128 O O . ILE A 1 33 ? 46.703 -1.577 3.489 1.00 35.49 ? 253 ILE A O 1 ATOM 129 C CB . ILE A 1 33 ? 48.540 0.462 5.022 1.00 30.83 ? 253 ILE A CB 1 ATOM 130 C CG1 . ILE A 1 33 ? 49.182 0.327 3.639 1.00 27.58 ? 253 ILE A CG1 1 ATOM 131 C CG2 . ILE A 1 33 ? 49.130 -0.537 6.014 1.00 26.82 ? 253 ILE A CG2 1 ATOM 132 C CD1 . ILE A 1 33 ? 48.859 1.462 2.688 1.00 24.93 ? 253 ILE A CD1 1 ATOM 133 N N . SER A 1 34 ? 46.156 -1.861 5.629 1.00 25.30 ? 254 SER A N 1 ATOM 134 C CA . SER A 1 34 ? 45.674 -3.214 5.414 1.00 21.98 ? 254 SER A CA 1 ATOM 135 C C . SER A 1 34 ? 44.208 -3.267 4.963 1.00 27.31 ? 254 SER A C 1 ATOM 136 O O . SER A 1 34 ? 43.626 -4.341 4.923 1.00 39.07 ? 254 SER A O 1 ATOM 137 C CB . SER A 1 34 ? 45.851 -4.023 6.699 1.00 25.15 ? 254 SER A CB 1 ATOM 138 O OG . SER A 1 34 ? 45.055 -3.538 7.774 1.00 26.85 ? 254 SER A OG 1 ATOM 139 N N . ARG A 1 35 ? 43.600 -2.115 4.664 1.00 31.83 ? 255 ARG A N 1 ATOM 140 C CA . ARG A 1 35 ? 42.205 -2.052 4.176 1.00 31.34 ? 255 ARG A CA 1 ATOM 141 C C . ARG A 1 35 ? 42.124 -1.344 2.831 1.00 34.97 ? 255 ARG A C 1 ATOM 142 O O . ARG A 1 35 ? 43.049 -0.616 2.448 1.00 40.47 ? 255 ARG A O 1 ATOM 143 C CB . ARG A 1 35 ? 41.293 -1.322 5.158 1.00 29.08 ? 255 ARG A CB 1 ATOM 144 C CG . ARG A 1 35 ? 41.230 -1.964 6.516 1.00 30.02 ? 255 ARG A CG 1 ATOM 145 C CD . ARG A 1 35 ? 40.047 -1.491 7.332 1.00 33.70 ? 255 ARG A CD 1 ATOM 146 N NE . ARG A 1 35 ? 40.012 -2.297 8.547 1.00 57.80 ? 255 ARG A NE 1 ATOM 147 C CZ . ARG A 1 35 ? 39.084 -2.241 9.496 1.00 60.55 ? 255 ARG A CZ 1 ATOM 148 N NH1 . ARG A 1 35 ? 38.059 -1.401 9.401 1.00 61.35 ? 255 ARG A NH1 1 ATOM 149 N NH2 . ARG A 1 35 ? 39.198 -3.042 10.548 1.00 53.27 ? 255 ARG A NH2 1 ATOM 150 N N . THR A 1 36 ? 41.007 -1.521 2.136 1.00 31.39 ? 256 THR A N 1 ATOM 151 C CA . THR A 1 36 ? 40.866 -0.962 0.797 1.00 38.05 ? 256 THR A CA 1 ATOM 152 C C . THR A 1 36 ? 39.768 0.101 0.690 1.00 40.54 ? 256 THR A C 1 ATOM 153 O O . THR A 1 36 ? 38.577 -0.210 0.726 1.00 52.64 ? 256 THR A O 1 ATOM 154 C CB . THR A 1 36 ? 40.722 -2.069 -0.258 1.00 41.60 ? 256 THR A CB 1 ATOM 155 O OG1 . THR A 1 36 ? 41.899 -2.877 -0.208 1.00 42.83 ? 256 THR A OG1 1 ATOM 156 C CG2 . THR A 1 36 ? 40.587 -1.482 -1.658 1.00 38.26 ? 256 THR A CG2 1 ATOM 157 N N . PRO A 1 37 ? 40.183 1.369 0.566 1.00 41.16 ? 257 PRO A N 1 ATOM 158 C CA . PRO A 1 37 ? 39.239 2.471 0.461 1.00 39.39 ? 257 PRO A CA 1 ATOM 159 C C . PRO A 1 37 ? 38.702 2.626 -0.976 1.00 37.13 ? 257 PRO A C 1 ATOM 160 O O . PRO A 1 37 ? 39.413 2.337 -1.946 1.00 33.90 ? 257 PRO A O 1 ATOM 161 C CB . PRO A 1 37 ? 40.092 3.672 0.861 1.00 38.94 ? 257 PRO A CB 1 ATOM 162 C CG . PRO A 1 37 ? 41.463 3.322 0.370 1.00 33.29 ? 257 PRO A CG 1 ATOM 163 C CD . PRO A 1 37 ? 41.588 1.830 0.501 1.00 31.50 ? 257 PRO A CD 1 ATOM 164 N N . GLU A 1 38 ? 37.456 3.082 -1.100 1.00 37.04 ? 258 GLU A N 1 ATOM 165 C CA . GLU A 1 38 ? 36.813 3.257 -2.412 1.00 38.44 ? 258 GLU A CA 1 ATOM 166 C C . GLU A 1 38 ? 35.811 4.405 -2.451 1.00 39.18 ? 258 GLU A C 1 ATOM 167 O O . GLU A 1 38 ? 35.078 4.632 -1.482 1.00 34.71 ? 258 GLU A O 1 ATOM 168 C CB . GLU A 1 38 ? 36.134 1.966 -2.873 1.00 40.43 ? 258 GLU A CB 1 ATOM 169 C CG . GLU A 1 38 ? 35.647 1.084 -1.740 1.00 41.30 ? 258 GLU A CG 1 ATOM 170 C CD . GLU A 1 38 ? 34.786 -0.049 -2.228 1.00 46.14 ? 258 GLU A CD 1 ATOM 171 O OE1 . GLU A 1 38 ? 33.592 -0.069 -1.844 1.00 47.86 ? 258 GLU A OE1 1 ATOM 172 O OE2 . GLU A 1 38 ? 35.301 -0.895 -3.002 1.00 42.01 ? 258 GLU A OE2 1 ATOM 173 N N . VAL A 1 39 ? 35.810 5.137 -3.569 1.00 34.59 ? 259 VAL A N 1 ATOM 174 C CA . VAL A 1 39 ? 34.780 6.136 -3.828 1.00 27.71 ? 259 VAL A CA 1 ATOM 175 C C . VAL A 1 39 ? 33.662 5.454 -4.596 1.00 28.25 ? 259 VAL A C 1 ATOM 176 O O . VAL A 1 39 ? 33.902 4.539 -5.400 1.00 25.82 ? 259 VAL A O 1 ATOM 177 C CB . VAL A 1 39 ? 35.310 7.371 -4.581 1.00 27.04 ? 259 VAL A CB 1 ATOM 178 C CG1 . VAL A 1 39 ? 36.347 8.087 -3.738 1.00 26.29 ? 259 VAL A CG1 1 ATOM 179 C CG2 . VAL A 1 39 ? 35.929 6.975 -5.906 1.00 28.45 ? 259 VAL A CG2 1 ATOM 180 N N . THR A 1 40 ? 32.437 5.882 -4.326 1.00 32.51 ? 260 THR A N 1 ATOM 181 C CA . THR A 1 40 ? 31.265 5.225 -4.880 1.00 29.31 ? 260 THR A CA 1 ATOM 182 C C . THR A 1 40 ? 30.422 6.234 -5.612 1.00 33.93 ? 260 THR A C 1 ATOM 183 O O . THR A 1 40 ? 30.014 7.253 -5.044 1.00 46.37 ? 260 THR A O 1 ATOM 184 C CB . THR A 1 40 ? 30.439 4.556 -3.780 1.00 31.61 ? 260 THR A CB 1 ATOM 185 O OG1 . THR A 1 40 ? 31.319 3.873 -2.876 1.00 29.50 ? 260 THR A OG1 1 ATOM 186 C CG2 . THR A 1 40 ? 29.462 3.562 -4.381 1.00 32.57 ? 260 THR A CG2 1 ATOM 187 N N . CYS A 1 41 ? 30.190 5.959 -6.888 1.00 31.93 ? 261 CYS A N 1 ATOM 188 C CA . CYS A 1 41 ? 29.368 6.819 -7.721 1.00 33.99 ? 261 CYS A CA 1 ATOM 189 C C . CYS A 1 41 ? 28.011 6.153 -7.931 1.00 36.58 ? 261 CYS A C 1 ATOM 190 O O . CYS A 1 41 ? 27.921 5.087 -8.568 1.00 30.85 ? 261 CYS A O 1 ATOM 191 C CB . CYS A 1 41 ? 30.055 7.073 -9.058 1.00 32.47 ? 261 CYS A CB 1 ATOM 192 S SG . CYS A 1 41 ? 29.300 8.377 -10.046 1.00 32.08 ? 261 CYS A SG 1 ATOM 193 N N . VAL A 1 42 ? 26.976 6.793 -7.383 1.00 31.50 ? 262 VAL A N 1 ATOM 194 C CA . VAL A 1 42 ? 25.625 6.241 -7.317 1.00 31.35 ? 262 VAL A CA 1 ATOM 195 C C . VAL A 1 42 ? 24.682 7.000 -8.246 1.00 28.99 ? 262 VAL A C 1 ATOM 196 O O . VAL A 1 42 ? 24.488 8.210 -8.100 1.00 29.79 ? 262 VAL A O 1 ATOM 197 C CB . VAL A 1 42 ? 25.084 6.290 -5.859 1.00 34.74 ? 262 VAL A CB 1 ATOM 198 C CG1 . VAL A 1 42 ? 23.660 5.752 -5.778 1.00 31.95 ? 262 VAL A CG1 1 ATOM 199 C CG2 . VAL A 1 42 ? 25.994 5.514 -4.914 1.00 27.89 ? 262 VAL A CG2 1 ATOM 200 N N . VAL A 1 43 ? 24.089 6.289 -9.197 1.00 30.91 ? 263 VAL A N 1 ATOM 201 C CA . VAL A 1 43 ? 23.127 6.910 -10.126 1.00 32.28 ? 263 VAL A CA 1 ATOM 202 C C . VAL A 1 43 ? 21.684 6.438 -9.872 1.00 34.01 ? 263 VAL A C 1 ATOM 203 O O . VAL A 1 43 ? 21.384 5.242 -9.979 1.00 33.82 ? 263 VAL A O 1 ATOM 204 C CB . VAL A 1 43 ? 23.510 6.666 -11.600 1.00 31.07 ? 263 VAL A CB 1 ATOM 205 C CG1 . VAL A 1 43 ? 22.905 7.740 -12.483 1.00 35.78 ? 263 VAL A CG1 1 ATOM 206 C CG2 . VAL A 1 43 ? 25.020 6.671 -11.778 1.00 32.06 ? 263 VAL A CG2 1 ATOM 207 N N . VAL A 1 44 ? 20.805 7.379 -9.518 1.00 33.57 ? 264 VAL A N 1 ATOM 208 C CA . VAL A 1 44 ? 19.380 7.082 -9.308 1.00 33.84 ? 264 VAL A CA 1 ATOM 209 C C . VAL A 1 44 ? 18.472 7.677 -10.396 1.00 37.46 ? 264 VAL A C 1 ATOM 210 O O . VAL A 1 44 ? 18.863 8.609 -11.117 1.00 29.67 ? 264 VAL A O 1 ATOM 211 C CB . VAL A 1 44 ? 18.878 7.578 -7.936 1.00 38.80 ? 264 VAL A CB 1 ATOM 212 C CG1 . VAL A 1 44 ? 19.734 7.027 -6.809 1.00 46.41 ? 264 VAL A CG1 1 ATOM 213 C CG2 . VAL A 1 44 ? 18.845 9.093 -7.882 1.00 35.00 ? 264 VAL A CG2 1 ATOM 214 N N . ASP A 1 45 ? 17.247 7.150 -10.475 1.00 39.95 ? 265 ASP A N 1 ATOM 215 C CA . ASP A 1 45 ? 16.228 7.567 -11.458 1.00 34.71 ? 265 ASP A CA 1 ATOM 216 C C . ASP A 1 45 ? 16.663 7.258 -12.888 1.00 41.24 ? 265 ASP A C 1 ATOM 217 O O . ASP A 1 45 ? 16.353 8.008 -13.819 1.00 49.61 ? 265 ASP A O 1 ATOM 218 C CB . ASP A 1 45 ? 15.850 9.048 -11.327 1.00 30.63 ? 265 ASP A CB 1 ATOM 219 C CG . ASP A 1 45 ? 15.143 9.370 -10.020 1.00 40.25 ? 265 ASP A CG 1 ATOM 220 O OD1 . ASP A 1 45 ? 14.427 8.502 -9.460 1.00 36.26 ? 265 ASP A OD1 1 ATOM 221 O OD2 . ASP A 1 45 ? 15.294 10.522 -9.558 1.00 53.97 ? 265 ASP A OD2 1 ATOM 222 N N . VAL A 1 46 ? 17.406 6.166 -13.041 1.00 36.10 ? 266 VAL A N 1 ATOM 223 C CA . VAL A 1 46 ? 17.681 5.578 -14.342 1.00 35.62 ? 266 VAL A CA 1 ATOM 224 C C . VAL A 1 46 ? 16.401 4.862 -14.747 1.00 40.44 ? 266 VAL A C 1 ATOM 225 O O . VAL A 1 46 ? 15.758 4.218 -13.925 1.00 48.16 ? 266 VAL A O 1 ATOM 226 C CB . VAL A 1 46 ? 18.866 4.587 -14.265 1.00 33.13 ? 266 VAL A CB 1 ATOM 227 C CG1 . VAL A 1 46 ? 19.021 3.779 -15.544 1.00 29.11 ? 266 VAL A CG1 1 ATOM 228 C CG2 . VAL A 1 46 ? 20.152 5.334 -13.961 1.00 31.97 ? 266 VAL A CG2 1 ATOM 229 N N . SER A 1 47 ? 16.031 4.997 -16.014 1.00 46.26 ? 267 SER A N 1 ATOM 230 C CA . SER A 1 47 ? 14.732 4.556 -16.500 1.00 41.34 ? 267 SER A CA 1 ATOM 231 C C . SER A 1 47 ? 14.754 3.097 -16.901 1.00 41.76 ? 267 SER A C 1 ATOM 232 O O . SER A 1 47 ? 15.819 2.539 -17.186 1.00 34.32 ? 267 SER A O 1 ATOM 233 C CB . SER A 1 47 ? 14.350 5.377 -17.729 1.00 48.87 ? 267 SER A CB 1 ATOM 234 O OG . SER A 1 47 ? 14.946 4.811 -18.896 1.00 43.73 ? 267 SER A OG 1 ATOM 235 N N . HIS A 1 48 ? 13.559 2.507 -16.969 1.00 45.22 ? 268 HIS A N 1 ATOM 236 C CA . HIS A 1 48 ? 13.367 1.161 -17.505 1.00 47.85 ? 268 HIS A CA 1 ATOM 237 C C . HIS A 1 48 ? 13.688 0.991 -18.969 1.00 54.64 ? 268 HIS A C 1 ATOM 238 O O . HIS A 1 48 ? 14.006 -0.115 -19.410 1.00 63.21 ? 268 HIS A O 1 ATOM 239 C CB . HIS A 1 48 ? 11.950 0.695 -17.229 1.00 53.60 ? 268 HIS A CB 1 ATOM 240 C CG . HIS A 1 48 ? 11.856 -0.276 -16.087 1.00 51.62 ? 268 HIS A CG 1 ATOM 241 N ND1 . HIS A 1 48 ? 11.567 -1.581 -16.268 1.00 42.19 ? 268 HIS A ND1 1 ATOM 242 C CD2 . HIS A 1 48 ? 12.060 -0.099 -14.719 1.00 41.18 ? 268 HIS A CD2 1 ATOM 243 C CE1 . HIS A 1 48 ? 11.573 -2.206 -15.079 1.00 41.63 ? 268 HIS A CE1 1 ATOM 244 N NE2 . HIS A 1 48 ? 11.871 -1.295 -14.129 1.00 43.10 ? 268 HIS A NE2 1 ATOM 245 N N . GLU A 1 49 ? 13.625 2.078 -19.731 1.00 50.74 ? 269 GLU A N 1 ATOM 246 C CA . GLU A 1 49 ? 13.813 2.010 -21.175 1.00 82.40 ? 269 GLU A CA 1 ATOM 247 C C . GLU A 1 49 ? 15.263 2.257 -21.613 1.00 95.20 ? 269 GLU A C 1 ATOM 248 O O . GLU A 1 49 ? 15.782 1.549 -22.477 1.00 118.78 ? 269 GLU A O 1 ATOM 249 C CB . GLU A 1 49 ? 12.852 2.969 -21.889 1.00 93.58 ? 269 GLU A CB 1 ATOM 250 C CG . GLU A 1 49 ? 12.447 2.511 -23.284 1.00 101.16 ? 269 GLU A CG 1 ATOM 251 C CD . GLU A 1 49 ? 11.244 1.580 -23.297 1.00 86.32 ? 269 GLU A CD 1 ATOM 252 O OE1 . GLU A 1 49 ? 11.291 0.553 -24.010 1.00 71.50 ? 269 GLU A OE1 1 ATOM 253 O OE2 . GLU A 1 49 ? 10.248 1.875 -22.602 1.00 80.49 ? 269 GLU A OE2 1 ATOM 254 N N . ASP A 1 50 ? 15.901 3.271 -21.029 1.00 92.85 ? 270 ASP A N 1 ATOM 255 C CA . ASP A 1 50 ? 17.316 3.569 -21.274 1.00 75.16 ? 270 ASP A CA 1 ATOM 256 C C . ASP A 1 50 ? 18.131 3.213 -20.023 1.00 67.88 ? 270 ASP A C 1 ATOM 257 O O . ASP A 1 50 ? 18.536 4.107 -19.268 1.00 67.15 ? 270 ASP A O 1 ATOM 258 C CB . ASP A 1 50 ? 17.511 5.059 -21.611 1.00 71.52 ? 270 ASP A CB 1 ATOM 259 C CG . ASP A 1 50 ? 16.890 5.462 -22.947 1.00 71.76 ? 270 ASP A CG 1 ATOM 260 O OD1 . ASP A 1 50 ? 17.308 4.921 -24.001 1.00 62.64 ? 270 ASP A OD1 1 ATOM 261 O OD2 . ASP A 1 50 ? 16.004 6.348 -22.934 1.00 53.79 ? 270 ASP A OD2 1 ATOM 262 N N . PRO A 1 51 ? 18.378 1.910 -19.789 1.00 56.05 ? 271 PRO A N 1 ATOM 263 C CA . PRO A 1 51 ? 19.012 1.531 -18.533 1.00 60.83 ? 271 PRO A CA 1 ATOM 264 C C . PRO A 1 51 ? 20.542 1.552 -18.605 1.00 51.07 ? 271 PRO A C 1 ATOM 265 O O . PRO A 1 51 ? 21.207 1.374 -17.588 1.00 40.08 ? 271 PRO A O 1 ATOM 266 C CB . PRO A 1 51 ? 18.496 0.103 -18.304 1.00 54.92 ? 271 PRO A CB 1 ATOM 267 C CG . PRO A 1 51 ? 18.031 -0.377 -19.646 1.00 47.64 ? 271 PRO A CG 1 ATOM 268 C CD . PRO A 1 51 ? 18.180 0.734 -20.647 1.00 50.81 ? 271 PRO A CD 1 ATOM 269 N N . GLU A 1 52 ? 21.082 1.788 -19.798 1.00 49.42 ? 272 GLU A N 1 ATOM 270 C CA . GLU A 1 52 ? 22.520 1.828 -19.998 1.00 46.16 ? 272 GLU A CA 1 ATOM 271 C C . GLU A 1 52 ? 23.101 3.095 -19.399 1.00 44.84 ? 272 GLU A C 1 ATOM 272 O O . GLU A 1 52 ? 22.576 4.198 -19.605 1.00 40.18 ? 272 GLU A O 1 ATOM 273 C CB . GLU A 1 52 ? 22.878 1.716 -21.485 1.00 40.35 ? 272 GLU A CB 1 ATOM 274 N N . VAL A 1 53 ? 24.176 2.913 -18.634 1.00 44.49 ? 273 VAL A N 1 ATOM 275 C CA . VAL A 1 53 ? 24.925 4.014 -18.028 1.00 41.75 ? 273 VAL A CA 1 ATOM 276 C C . VAL A 1 53 ? 26.409 3.824 -18.335 1.00 36.76 ? 273 VAL A C 1 ATOM 277 O O . VAL A 1 53 ? 26.929 2.711 -18.253 1.00 33.61 ? 273 VAL A O 1 ATOM 278 C CB . VAL A 1 53 ? 24.726 4.052 -16.503 1.00 36.59 ? 273 VAL A CB 1 ATOM 279 C CG1 . VAL A 1 53 ? 25.557 5.164 -15.879 1.00 42.24 ? 273 VAL A CG1 1 ATOM 280 C CG2 . VAL A 1 53 ? 23.258 4.219 -16.157 1.00 41.30 ? 273 VAL A CG2 1 ATOM 281 N N . LYS A 1 54 ? 27.080 4.904 -18.708 1.00 33.69 ? 274 LYS A N 1 ATOM 282 C CA . LYS A 1 54 ? 28.524 4.853 -18.940 1.00 38.47 ? 274 LYS A CA 1 ATOM 283 C C . LYS A 1 54 ? 29.242 5.734 -17.920 1.00 36.93 ? 274 LYS A C 1 ATOM 284 O O . LYS A 1 54 ? 28.952 6.929 -17.802 1.00 34.34 ? 274 LYS A O 1 ATOM 285 C CB . LYS A 1 54 ? 28.855 5.290 -20.361 1.00 37.32 ? 274 LYS A CB 1 ATOM 286 C CG . LYS A 1 54 ? 30.338 5.355 -20.693 1.00 51.12 ? 274 LYS A CG 1 ATOM 287 C CD . LYS A 1 54 ? 30.562 6.290 -21.879 1.00 58.45 ? 274 LYS A CD 1 ATOM 288 C CE . LYS A 1 54 ? 31.957 6.171 -22.456 1.00 47.57 ? 274 LYS A CE 1 ATOM 289 N NZ . LYS A 1 54 ? 32.145 4.878 -23.166 1.00 56.22 ? 274 LYS A NZ 1 ATOM 290 N N . PHE A 1 55 ? 30.156 5.128 -17.168 1.00 34.38 ? 275 PHE A N 1 ATOM 291 C CA . PHE A 1 55 ? 30.959 5.863 -16.198 1.00 30.20 ? 275 PHE A CA 1 ATOM 292 C C . PHE A 1 55 ? 32.331 6.152 -16.768 1.00 28.96 ? 275 PHE A C 1 ATOM 293 O O . PHE A 1 55 ? 32.968 5.282 -17.383 1.00 23.71 ? 275 PHE A O 1 ATOM 294 C CB . PHE A 1 55 ? 31.146 5.074 -14.899 1.00 27.14 ? 275 PHE A CB 1 ATOM 295 C CG . PHE A 1 55 ? 29.878 4.770 -14.188 1.00 28.16 ? 275 PHE A CG 1 ATOM 296 C CD1 . PHE A 1 55 ? 29.170 3.591 -14.468 1.00 30.59 ? 275 PHE A CD1 1 ATOM 297 C CD2 . PHE A 1 55 ? 29.388 5.636 -13.228 1.00 28.31 ? 275 PHE A CD2 1 ATOM 298 C CE1 . PHE A 1 55 ? 27.989 3.299 -13.807 1.00 25.82 ? 275 PHE A CE1 1 ATOM 299 C CE2 . PHE A 1 55 ? 28.196 5.349 -12.564 1.00 32.54 ? 275 PHE A CE2 1 ATOM 300 C CZ . PHE A 1 55 ? 27.498 4.181 -12.853 1.00 26.69 ? 275 PHE A CZ 1 ATOM 301 N N . ASN A 1 56 ? 32.772 7.383 -16.548 1.00 31.75 ? 276 ASN A N 1 ATOM 302 C CA . ASN A 1 56 ? 34.161 7.786 -16.752 1.00 29.67 ? 276 ASN A CA 1 ATOM 303 C C . ASN A 1 56 ? 34.689 8.345 -15.451 1.00 29.92 ? 276 ASN A C 1 ATOM 304 O O . ASN A 1 56 ? 34.062 9.224 -14.831 1.00 26.66 ? 276 ASN A O 1 ATOM 305 C CB . ASN A 1 56 ? 34.275 8.832 -17.854 1.00 31.03 ? 276 ASN A CB 1 ATOM 306 C CG . ASN A 1 56 ? 34.139 8.231 -19.225 1.00 38.01 ? 276 ASN A CG 1 ATOM 307 O OD1 . ASN A 1 56 ? 33.166 8.486 -19.929 1.00 39.57 ? 276 ASN A OD1 1 ATOM 308 N ND2 . ASN A 1 56 ? 35.108 7.406 -19.608 1.00 35.16 ? 276 ASN A ND2 1 ATOM 309 N N . TRP A 1 57 ? 35.844 7.831 -15.049 1.00 29.90 ? 277 TRP A N 1 ATOM 310 C CA . TRP A 1 57 ? 36.490 8.193 -13.793 1.00 31.73 ? 277 TRP A CA 1 ATOM 311 C C . TRP A 1 57 ? 37.796 8.899 -14.026 1.00 34.81 ? 277 TRP A C 1 ATOM 312 O O . TRP A 1 57 ? 38.632 8.448 -14.831 1.00 38.90 ? 277 TRP A O 1 ATOM 313 C CB . TRP A 1 57 ? 36.775 6.935 -13.015 1.00 30.76 ? 277 TRP A CB 1 ATOM 314 C CG . TRP A 1 57 ? 35.601 6.331 -12.317 1.00 27.59 ? 277 TRP A CG 1 ATOM 315 C CD1 . TRP A 1 57 ? 34.809 5.241 -12.730 1.00 27.22 ? 277 TRP A CD1 1 ATOM 316 C CD2 . TRP A 1 57 ? 35.073 6.729 -11.019 1.00 26.90 ? 277 TRP A CD2 1 ATOM 317 N NE1 . TRP A 1 57 ? 33.842 4.957 -11.792 1.00 27.62 ? 277 TRP A NE1 1 ATOM 318 C CE2 . TRP A 1 57 ? 33.939 5.820 -10.739 1.00 27.92 ? 277 TRP A CE2 1 ATOM 319 C CE3 . TRP A 1 57 ? 35.416 7.699 -10.084 1.00 25.19 ? 277 TRP A CE3 1 ATOM 320 C CZ2 . TRP A 1 57 ? 33.212 5.907 -9.572 1.00 26.03 ? 277 TRP A CZ2 1 ATOM 321 C CZ3 . TRP A 1 57 ? 34.665 7.786 -8.909 1.00 24.27 ? 277 TRP A CZ3 1 ATOM 322 C CH2 . TRP A 1 57 ? 33.588 6.917 -8.663 1.00 30.11 ? 277 TRP A CH2 1 ATOM 323 N N . TYR A 1 58 ? 37.998 9.998 -13.310 1.00 36.35 ? 278 TYR A N 1 ATOM 324 C CA . TYR A 1 58 ? 39.258 10.735 -13.382 1.00 42.51 ? 278 TYR A CA 1 ATOM 325 C C . TYR A 1 58 ? 39.834 10.986 -11.990 1.00 50.12 ? 278 TYR A C 1 ATOM 326 O O . TYR A 1 58 ? 39.092 11.205 -11.019 1.00 43.90 ? 278 TYR A O 1 ATOM 327 C CB . TYR A 1 58 ? 39.091 12.049 -14.146 1.00 44.79 ? 278 TYR A CB 1 ATOM 328 C CG . TYR A 1 58 ? 38.357 11.891 -15.460 1.00 50.17 ? 278 TYR A CG 1 ATOM 329 C CD1 . TYR A 1 58 ? 36.961 11.827 -15.497 1.00 50.11 ? 278 TYR A CD1 1 ATOM 330 C CD2 . TYR A 1 58 ? 39.051 11.807 -16.664 1.00 44.91 ? 278 TYR A CD2 1 ATOM 331 C CE1 . TYR A 1 58 ? 36.282 11.680 -16.691 1.00 46.09 ? 278 TYR A CE1 1 ATOM 332 C CE2 . TYR A 1 58 ? 38.376 11.655 -17.864 1.00 46.35 ? 278 TYR A CE2 1 ATOM 333 C CZ . TYR A 1 58 ? 36.991 11.589 -17.868 1.00 47.42 ? 278 TYR A CZ 1 ATOM 334 O OH . TYR A 1 58 ? 36.306 11.438 -19.048 1.00 46.13 ? 278 TYR A OH 1 ATOM 335 N N . VAL A 1 59 ? 41.164 10.904 -11.908 1.00 54.73 ? 279 VAL A N 1 ATOM 336 C CA . VAL A 1 59 ? 41.920 11.263 -10.711 1.00 43.01 ? 279 VAL A CA 1 ATOM 337 C C . VAL A 1 59 ? 42.738 12.500 -11.044 1.00 42.28 ? 279 VAL A C 1 ATOM 338 O O . VAL A 1 59 ? 43.633 12.447 -11.895 1.00 44.16 ? 279 VAL A O 1 ATOM 339 C CB . VAL A 1 59 ? 42.860 10.138 -10.255 1.00 33.63 ? 279 VAL A CB 1 ATOM 340 C CG1 . VAL A 1 59 ? 43.545 10.542 -8.960 1.00 32.41 ? 279 VAL A CG1 1 ATOM 341 C CG2 . VAL A 1 59 ? 42.084 8.846 -10.059 1.00 32.62 ? 279 VAL A CG2 1 ATOM 342 N N . ASP A 1 60 ? 42.423 13.610 -10.387 1.00 40.47 ? 280 ASP A N 1 ATOM 343 C CA . ASP A 1 60 ? 42.985 14.902 -10.765 1.00 37.95 ? 280 ASP A CA 1 ATOM 344 C C . ASP A 1 60 ? 43.011 15.038 -12.287 1.00 40.37 ? 280 ASP A C 1 ATOM 345 O O . ASP A 1 60 ? 44.072 15.222 -12.887 1.00 55.65 ? 280 ASP A O 1 ATOM 346 C CB . ASP A 1 60 ? 44.388 15.092 -10.167 1.00 36.63 ? 280 ASP A CB 1 ATOM 347 C CG . ASP A 1 60 ? 44.359 15.449 -8.679 1.00 47.10 ? 280 ASP A CG 1 ATOM 348 O OD1 . ASP A 1 60 ? 43.278 15.797 -8.141 1.00 38.68 ? 280 ASP A OD1 1 ATOM 349 O OD2 . ASP A 1 60 ? 45.438 15.393 -8.043 1.00 56.36 ? 280 ASP A OD2 1 ATOM 350 N N . GLY A 1 61 ? 41.843 14.893 -12.910 1.00 36.18 ? 281 GLY A N 1 ATOM 351 C CA . GLY A 1 61 ? 41.679 15.130 -14.352 1.00 31.31 ? 281 GLY A CA 1 ATOM 352 C C . GLY A 1 61 ? 42.354 14.150 -15.294 1.00 33.66 ? 281 GLY A C 1 ATOM 353 O O . GLY A 1 61 ? 42.337 14.362 -16.500 1.00 47.58 ? 281 GLY A O 1 ATOM 354 N N . VAL A 1 62 ? 42.948 13.085 -14.755 1.00 34.21 ? 282 VAL A N 1 ATOM 355 C CA . VAL A 1 62 ? 43.542 12.005 -15.559 1.00 33.23 ? 282 VAL A CA 1 ATOM 356 C C . VAL A 1 62 ? 42.664 10.761 -15.458 1.00 41.67 ? 282 VAL A C 1 ATOM 357 O O . VAL A 1 62 ? 42.348 10.294 -14.353 1.00 41.30 ? 282 VAL A O 1 ATOM 358 C CB . VAL A 1 62 ? 44.974 11.657 -15.081 1.00 33.90 ? 282 VAL A CB 1 ATOM 359 C CG1 . VAL A 1 62 ? 45.494 10.377 -15.725 1.00 31.62 ? 282 VAL A CG1 1 ATOM 360 C CG2 . VAL A 1 62 ? 45.931 12.810 -15.357 1.00 36.24 ? 282 VAL A CG2 1 ATOM 361 N N . GLU A 1 63 ? 42.280 10.222 -16.611 1.00 41.06 ? 283 GLU A N 1 ATOM 362 C CA . GLU A 1 63 ? 41.349 9.100 -16.650 1.00 44.30 ? 283 GLU A CA 1 ATOM 363 C C . GLU A 1 63 ? 41.960 7.810 -16.106 1.00 42.45 ? 283 GLU A C 1 ATOM 364 O O . GLU A 1 63 ? 43.115 7.489 -16.389 1.00 52.16 ? 283 GLU A O 1 ATOM 365 C CB . GLU A 1 63 ? 40.792 8.903 -18.071 1.00 47.44 ? 283 GLU A CB 1 ATOM 366 C CG . GLU A 1 63 ? 39.850 7.713 -18.224 1.00 55.71 ? 283 GLU A CG 1 ATOM 367 C CD . GLU A 1 63 ? 38.757 7.922 -19.263 1.00 62.91 ? 283 GLU A CD 1 ATOM 368 O OE1 . GLU A 1 63 ? 38.624 9.051 -19.790 1.00 58.21 ? 283 GLU A OE1 1 ATOM 369 O OE2 . GLU A 1 63 ? 38.021 6.946 -19.549 1.00 58.74 ? 283 GLU A OE2 1 ATOM 370 N N . VAL A 1 64 ? 41.171 7.092 -15.311 1.00 41.60 ? 284 VAL A N 1 ATOM 371 C CA . VAL A 1 64 ? 41.532 5.749 -14.827 1.00 38.62 ? 284 VAL A CA 1 ATOM 372 C C . VAL A 1 64 ? 40.492 4.710 -15.285 1.00 39.20 ? 284 VAL A C 1 ATOM 373 O O . VAL A 1 64 ? 39.345 5.059 -15.590 1.00 40.73 ? 284 VAL A O 1 ATOM 374 C CB . VAL A 1 64 ? 41.718 5.707 -13.283 1.00 38.82 ? 284 VAL A CB 1 ATOM 375 C CG1 . VAL A 1 64 ? 42.989 6.455 -12.865 1.00 32.15 ? 284 VAL A CG1 1 ATOM 376 C CG2 . VAL A 1 64 ? 40.490 6.258 -12.557 1.00 32.01 ? 284 VAL A CG2 1 ATOM 377 N N . HIS A 1 65 ? 40.893 3.442 -15.322 1.00 38.00 ? 285 HIS A N 1 ATOM 378 C CA . HIS A 1 65 ? 40.083 2.400 -15.938 1.00 36.00 ? 285 HIS A CA 1 ATOM 379 C C . HIS A 1 65 ? 39.859 1.198 -15.068 1.00 40.48 ? 285 HIS A C 1 ATOM 380 O O . HIS A 1 65 ? 39.480 0.141 -15.562 1.00 46.88 ? 285 HIS A O 1 ATOM 381 C CB . HIS A 1 65 ? 40.712 1.998 -17.259 1.00 39.71 ? 285 HIS A CB 1 ATOM 382 C CG . HIS A 1 65 ? 40.954 3.165 -18.173 1.00 50.56 ? 285 HIS A CG 1 ATOM 383 N ND1 . HIS A 1 65 ? 42.153 3.758 -18.282 1.00 52.70 ? 285 HIS A ND1 1 ATOM 384 C CD2 . HIS A 1 65 ? 40.083 3.881 -18.993 1.00 59.03 ? 285 HIS A CD2 1 ATOM 385 C CE1 . HIS A 1 65 ? 42.067 4.786 -19.149 1.00 57.79 ? 285 HIS A CE1 1 ATOM 386 N NE2 . HIS A 1 65 ? 40.798 4.861 -19.580 1.00 59.60 ? 285 HIS A NE2 1 ATOM 387 N N . ASN A 1 66 ? 40.054 1.354 -13.760 1.00 35.17 ? 286 ASN A N 1 ATOM 388 C CA . ASN A 1 66 ? 39.981 0.227 -12.829 1.00 35.22 ? 286 ASN A CA 1 ATOM 389 C C . ASN A 1 66 ? 38.651 0.079 -12.053 1.00 35.31 ? 286 ASN A C 1 ATOM 390 O O . ASN A 1 66 ? 38.494 -0.864 -11.274 1.00 36.33 ? 286 ASN A O 1 ATOM 391 C CB . ASN A 1 66 ? 41.164 0.280 -11.857 1.00 30.14 ? 286 ASN A CB 1 ATOM 392 C CG . ASN A 1 66 ? 41.276 1.623 -11.157 1.00 38.64 ? 286 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 66 ? 41.340 2.686 -11.803 1.00 39.01 ? 286 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 66 ? 41.282 1.590 -9.828 1.00 34.93 ? 286 ASN A ND2 1 ATOM 395 N N . ALA A 1 67 ? 37.701 0.992 -12.261 1.00 33.54 ? 287 ALA A N 1 ATOM 396 C CA . ALA A 1 67 ? 36.375 0.887 -11.604 1.00 36.43 ? 287 ALA A CA 1 ATOM 397 C C . ALA A 1 67 ? 35.553 -0.341 -12.039 1.00 37.61 ? 287 ALA A C 1 ATOM 398 O O . ALA A 1 67 ? 35.730 -0.867 -13.137 1.00 34.25 ? 287 ALA A O 1 ATOM 399 C CB . ALA A 1 67 ? 35.568 2.158 -11.802 1.00 30.99 ? 287 ALA A CB 1 ATOM 400 N N . LYS A 1 68 ? 34.669 -0.799 -11.157 1.00 39.26 ? 288 LYS A N 1 ATOM 401 C CA . LYS A 1 68 ? 33.805 -1.949 -11.429 1.00 34.52 ? 288 LYS A CA 1 ATOM 402 C C . LYS A 1 68 ? 32.372 -1.631 -11.028 1.00 30.71 ? 288 LYS A C 1 ATOM 403 O O . LYS A 1 68 ? 32.127 -1.097 -9.947 1.00 33.69 ? 288 LYS A O 1 ATOM 404 C CB . LYS A 1 68 ? 34.277 -3.177 -10.663 1.00 38.84 ? 288 LYS A CB 1 ATOM 405 C CG . LYS A 1 68 ? 35.671 -3.659 -11.015 1.00 47.35 ? 288 LYS A CG 1 ATOM 406 C CD . LYS A 1 68 ? 36.029 -4.896 -10.198 1.00 47.33 ? 288 LYS A CD 1 ATOM 407 C CE . LYS A 1 68 ? 37.535 -5.137 -10.195 1.00 50.76 ? 288 LYS A CE 1 ATOM 408 N N . THR A 1 69 ? 31.428 -1.956 -11.903 1.00 28.50 ? 289 THR A N 1 ATOM 409 C CA . THR A 1 69 ? 30.004 -1.694 -11.653 1.00 25.42 ? 289 THR A CA 1 ATOM 410 C C . THR A 1 69 ? 29.399 -2.740 -10.741 1.00 25.28 ? 289 THR A C 1 ATOM 411 O O . THR A 1 69 ? 29.544 -3.940 -10.987 1.00 23.86 ? 289 THR A O 1 ATOM 412 C CB . THR A 1 69 ? 29.213 -1.669 -12.974 1.00 27.29 ? 289 THR A CB 1 ATOM 413 O OG1 . THR A 1 69 ? 29.815 -0.732 -13.869 1.00 26.05 ? 289 THR A OG1 1 ATOM 414 C CG2 . THR A 1 69 ? 27.781 -1.263 -12.744 1.00 27.17 ? 289 THR A CG2 1 ATOM 415 N N . LYS A 1 70 ? 28.719 -2.290 -9.690 1.00 31.30 ? 290 LYS A N 1 ATOM 416 C CA . LYS A 1 70 ? 27.984 -3.200 -8.785 1.00 30.76 ? 290 LYS A CA 1 ATOM 417 C C . LYS A 1 70 ? 26.764 -3.723 -9.547 1.00 29.10 ? 290 LYS A C 1 ATOM 418 O O . LYS A 1 70 ? 26.404 -3.139 -10.572 1.00 26.59 ? 290 LYS A O 1 ATOM 419 C CB . LYS A 1 70 ? 27.549 -2.471 -7.494 1.00 32.76 ? 290 LYS A CB 1 ATOM 420 C CG . LYS A 1 70 ? 28.666 -1.995 -6.560 1.00 28.13 ? 290 LYS A CG 1 ATOM 421 N N . PRO A 1 71 ? 26.123 -4.818 -9.072 1.00 31.65 ? 291 PRO A N 1 ATOM 422 C CA . PRO A 1 71 ? 24.931 -5.308 -9.777 1.00 27.74 ? 291 PRO A CA 1 ATOM 423 C C . PRO A 1 71 ? 23.811 -4.282 -9.711 1.00 32.58 ? 291 PRO A C 1 ATOM 424 O O . PRO A 1 71 ? 23.655 -3.587 -8.702 1.00 35.09 ? 291 PRO A O 1 ATOM 425 C CB . PRO A 1 71 ? 24.549 -6.568 -9.004 1.00 31.58 ? 291 PRO A CB 1 ATOM 426 C CG . PRO A 1 71 ? 25.149 -6.392 -7.655 1.00 30.50 ? 291 PRO A CG 1 ATOM 427 C CD . PRO A 1 71 ? 26.421 -5.638 -7.882 1.00 34.74 ? 291 PRO A CD 1 ATOM 428 N N . ARG A 1 72 ? 23.057 -4.165 -10.798 1.00 35.83 ? 292 ARG A N 1 ATOM 429 C CA . ARG A 1 72 ? 22.082 -3.095 -10.933 1.00 33.44 ? 292 ARG A CA 1 ATOM 430 C C . ARG A 1 72 ? 20.853 -3.458 -10.122 1.00 35.40 ? 292 ARG A C 1 ATOM 431 O O . ARG A 1 72 ? 20.481 -4.632 -10.064 1.00 36.51 ? 292 ARG A O 1 ATOM 432 C CB . ARG A 1 72 ? 21.800 -2.857 -12.423 1.00 41.59 ? 292 ARG A CB 1 ATOM 433 C CG . ARG A 1 72 ? 20.402 -2.439 -12.809 1.00 43.89 ? 292 ARG A CG 1 ATOM 434 C CD . ARG A 1 72 ? 19.677 -3.618 -13.439 1.00 60.91 ? 292 ARG A CD 1 ATOM 435 N NE . ARG A 1 72 ? 19.592 -3.513 -14.896 1.00 62.87 ? 292 ARG A NE 1 ATOM 436 C CZ . ARG A 1 72 ? 18.833 -4.293 -15.662 1.00 53.38 ? 292 ARG A CZ 1 ATOM 437 N NH1 . ARG A 1 72 ? 18.818 -4.121 -16.979 1.00 53.91 ? 292 ARG A NH1 1 ATOM 438 N NH2 . ARG A 1 72 ? 18.091 -5.248 -15.119 1.00 49.62 ? 292 ARG A NH2 1 ATOM 439 N N . GLU A 1 73 ? 20.256 -2.482 -9.443 1.00 32.97 ? 293 GLU A N 1 ATOM 440 C CA . GLU A 1 73 ? 19.074 -2.799 -8.653 1.00 35.24 ? 293 GLU A CA 1 ATOM 441 C C . GLU A 1 73 ? 17.816 -1.975 -8.975 1.00 34.91 ? 293 GLU A C 1 ATOM 442 O O . GLU A 1 73 ? 17.853 -0.742 -9.045 1.00 32.44 ? 293 GLU A O 1 ATOM 443 C CB . GLU A 1 73 ? 19.400 -2.895 -7.149 1.00 40.65 ? 293 GLU A CB 1 ATOM 444 C CG . GLU A 1 73 ? 19.080 -1.695 -6.269 1.00 51.40 ? 293 GLU A CG 1 ATOM 445 C CD . GLU A 1 73 ? 19.177 -2.012 -4.775 1.00 55.90 ? 293 GLU A CD 1 ATOM 446 O OE1 . GLU A 1 73 ? 18.932 -1.105 -3.948 1.00 52.66 ? 293 GLU A OE1 1 ATOM 447 O OE2 . GLU A 1 73 ? 19.496 -3.166 -4.418 1.00 64.25 ? 293 GLU A OE2 1 ATOM 448 N N . GLU A 1 74 ? 16.711 -2.688 -9.196 1.00 33.70 ? 294 GLU A N 1 ATOM 449 C CA . GLU A 1 74 ? 15.427 -2.067 -9.487 1.00 30.59 ? 294 GLU A CA 1 ATOM 450 C C . GLU A 1 74 ? 14.778 -1.604 -8.184 1.00 30.13 ? 294 GLU A C 1 ATOM 451 O O . GLU A 1 74 ? 14.706 -2.364 -7.221 1.00 22.93 ? 294 GLU A O 1 ATOM 452 C CB . GLU A 1 74 ? 14.519 -3.055 -10.216 1.00 32.57 ? 294 GLU A CB 1 ATOM 453 C CG . GLU A 1 74 ? 13.194 -2.445 -10.664 1.00 42.98 ? 294 GLU A CG 1 ATOM 454 C CD . GLU A 1 74 ? 12.290 -3.402 -11.438 1.00 49.81 ? 294 GLU A CD 1 ATOM 455 O OE1 . GLU A 1 74 ? 12.492 -4.645 -11.408 1.00 39.82 ? 294 GLU A OE1 1 ATOM 456 O OE2 . GLU A 1 74 ? 11.351 -2.891 -12.083 1.00 53.42 ? 294 GLU A OE2 1 ATOM 457 N N . GLN A 1 75 ? 14.314 -0.356 -8.161 1.00 33.48 ? 295 GLN A N 1 ATOM 458 C CA . GLN A 1 75 ? 13.602 0.196 -6.997 1.00 35.71 ? 295 GLN A CA 1 ATOM 459 C C . GLN A 1 75 ? 12.095 -0.038 -7.106 1.00 40.06 ? 295 GLN A C 1 ATOM 460 O O . GLN A 1 75 ? 11.617 -0.550 -8.116 1.00 43.47 ? 295 GLN A O 1 ATOM 461 C CB . GLN A 1 75 ? 13.892 1.690 -6.846 1.00 32.45 ? 295 GLN A CB 1 ATOM 462 C CG . GLN A 1 75 ? 15.366 2.041 -6.870 1.00 32.38 ? 295 GLN A CG 1 ATOM 463 C CD . GLN A 1 75 ? 16.147 1.317 -5.781 1.00 34.85 ? 295 GLN A CD 1 ATOM 464 O OE1 . GLN A 1 75 ? 15.775 1.357 -4.613 1.00 27.17 ? 295 GLN A OE1 1 ATOM 465 N NE2 . GLN A 1 75 ? 17.229 0.640 -6.168 1.00 35.15 ? 295 GLN A NE2 1 ATOM 466 N N . TYR A 1 76 ? 11.352 0.339 -6.069 1.00 43.86 ? 296 TYR A N 1 ATOM 467 C CA . TYR A 1 76 ? 9.897 0.161 -6.064 1.00 39.32 ? 296 TYR A CA 1 ATOM 468 C C . TYR A 1 76 ? 9.140 1.158 -6.916 1.00 46.51 ? 296 TYR A C 1 ATOM 469 O O . TYR A 1 76 ? 8.072 0.833 -7.431 1.00 56.61 ? 296 TYR A O 1 ATOM 470 C CB . TYR A 1 76 ? 9.349 0.177 -4.651 1.00 34.41 ? 296 TYR A CB 1 ATOM 471 C CG . TYR A 1 76 ? 9.182 -1.210 -4.123 1.00 38.66 ? 296 TYR A CG 1 ATOM 472 C CD1 . TYR A 1 76 ? 10.253 -1.886 -3.581 1.00 39.03 ? 296 TYR A CD1 1 ATOM 473 C CD2 . TYR A 1 76 ? 7.952 -1.866 -4.194 1.00 40.47 ? 296 TYR A CD2 1 ATOM 474 C CE1 . TYR A 1 76 ? 10.115 -3.176 -3.109 1.00 40.88 ? 296 TYR A CE1 1 ATOM 475 C CE2 . TYR A 1 76 ? 7.803 -3.155 -3.714 1.00 36.14 ? 296 TYR A CE2 1 ATOM 476 C CZ . TYR A 1 76 ? 8.900 -3.796 -3.172 1.00 35.58 ? 296 TYR A CZ 1 ATOM 477 O OH . TYR A 1 76 ? 8.811 -5.066 -2.684 1.00 39.16 ? 296 TYR A OH 1 ATOM 478 N N . ASN A 1 77 ? 9.682 2.370 -7.046 1.00 44.41 ? 297 ASN A N 1 ATOM 479 C CA . ASN A 1 77 ? 9.156 3.361 -7.976 1.00 36.04 ? 297 ASN A CA 1 ATOM 480 C C . ASN A 1 77 ? 9.567 2.993 -9.414 1.00 39.11 ? 297 ASN A C 1 ATOM 481 O O . ASN A 1 77 ? 9.509 3.814 -10.336 1.00 37.93 ? 297 ASN A O 1 ATOM 482 C CB . ASN A 1 77 ? 9.622 4.764 -7.579 1.00 35.69 ? 297 ASN A CB 1 ATOM 483 C CG . ASN A 1 77 ? 11.130 4.858 -7.409 1.00 43.59 ? 297 ASN A CG 1 ATOM 484 O OD1 . ASN A 1 77 ? 11.872 3.996 -7.886 1.00 47.32 ? 297 ASN A OD1 1 ATOM 485 N ND2 . ASN A 1 77 ? 11.594 5.913 -6.729 1.00 42.86 ? 297 ASN A ND2 1 ATOM 486 N N . SER A 1 78 ? 9.974 1.731 -9.572 1.00 39.76 ? 298 SER A N 1 ATOM 487 C CA . SER A 1 78 ? 10.476 1.157 -10.833 1.00 47.13 ? 298 SER A CA 1 ATOM 488 C C . SER A 1 78 ? 11.412 2.048 -11.673 1.00 44.95 ? 298 SER A C 1 ATOM 489 O O . SER A 1 78 ? 11.149 2.372 -12.829 1.00 44.22 ? 298 SER A O 1 ATOM 490 C CB . SER A 1 78 ? 9.361 0.487 -11.657 1.00 43.92 ? 298 SER A CB 1 ATOM 491 O OG . SER A 1 78 ? 8.089 1.022 -11.371 1.00 41.08 ? 298 SER A OG 1 ATOM 492 N N . THR A 1 79 ? 12.501 2.448 -11.031 1.00 48.63 ? 299 THR A N 1 ATOM 493 C CA . THR A 1 79 ? 13.672 2.993 -11.684 1.00 40.29 ? 299 THR A CA 1 ATOM 494 C C . THR A 1 79 ? 14.800 2.060 -11.291 1.00 36.76 ? 299 THR A C 1 ATOM 495 O O . THR A 1 79 ? 14.630 1.226 -10.396 1.00 38.47 ? 299 THR A O 1 ATOM 496 C CB . THR A 1 79 ? 13.990 4.418 -11.186 1.00 47.43 ? 299 THR A CB 1 ATOM 497 O OG1 . THR A 1 79 ? 13.909 4.465 -9.754 1.00 51.96 ? 299 THR A OG1 1 ATOM 498 C CG2 . THR A 1 79 ? 13.015 5.432 -11.775 1.00 50.22 ? 299 THR A CG2 1 ATOM 499 N N . TYR A 1 80 ? 15.941 2.172 -11.962 1.00 36.78 ? 300 TYR A N 1 ATOM 500 C CA . TYR A 1 80 ? 17.134 1.439 -11.541 1.00 35.89 ? 300 TYR A CA 1 ATOM 501 C C . TYR A 1 80 ? 18.102 2.316 -10.737 1.00 35.40 ? 300 TYR A C 1 ATOM 502 O O . TYR A 1 80 ? 18.177 3.539 -10.912 1.00 39.97 ? 300 TYR A O 1 ATOM 503 C CB . TYR A 1 80 ? 17.855 0.806 -12.732 1.00 33.76 ? 300 TYR A CB 1 ATOM 504 C CG . TYR A 1 80 ? 17.087 -0.305 -13.407 1.00 38.96 ? 300 TYR A CG 1 ATOM 505 C CD1 . TYR A 1 80 ? 16.488 -0.107 -14.649 1.00 36.70 ? 300 TYR A CD1 1 ATOM 506 C CD2 . TYR A 1 80 ? 16.960 -1.561 -12.809 1.00 46.43 ? 300 TYR A CD2 1 ATOM 507 C CE1 . TYR A 1 80 ? 15.782 -1.124 -15.276 1.00 41.20 ? 300 TYR A CE1 1 ATOM 508 C CE2 . TYR A 1 80 ? 16.255 -2.588 -13.430 1.00 44.62 ? 300 TYR A CE2 1 ATOM 509 C CZ . TYR A 1 80 ? 15.664 -2.363 -14.664 1.00 50.66 ? 300 TYR A CZ 1 ATOM 510 O OH . TYR A 1 80 ? 14.956 -3.373 -15.296 1.00 58.99 ? 300 TYR A OH 1 ATOM 511 N N . ARG A 1 81 ? 18.813 1.667 -9.830 1.00 30.90 ? 301 ARG A N 1 ATOM 512 C CA . ARG A 1 81 ? 19.941 2.258 -9.131 1.00 28.15 ? 301 ARG A CA 1 ATOM 513 C C . ARG A 1 81 ? 21.199 1.606 -9.697 1.00 28.07 ? 301 ARG A C 1 ATOM 514 O O . ARG A 1 81 ? 21.353 0.381 -9.633 1.00 25.13 ? 301 ARG A O 1 ATOM 515 C CB . ARG A 1 81 ? 19.801 1.970 -7.641 1.00 27.11 ? 301 ARG A CB 1 ATOM 516 C CG . ARG A 1 81 ? 20.826 2.622 -6.741 1.00 32.47 ? 301 ARG A CG 1 ATOM 517 C CD . ARG A 1 81 ? 20.464 2.331 -5.294 1.00 36.80 ? 301 ARG A CD 1 ATOM 518 N NE . ARG A 1 81 ? 21.196 3.184 -4.365 1.00 37.87 ? 301 ARG A NE 1 ATOM 519 C CZ . ARG A 1 81 ? 22.386 2.879 -3.862 1.00 38.35 ? 301 ARG A CZ 1 ATOM 520 N NH1 . ARG A 1 81 ? 22.969 1.740 -4.193 1.00 31.10 ? 301 ARG A NH1 1 ATOM 521 N NH2 . ARG A 1 81 ? 22.986 3.710 -3.026 1.00 41.38 ? 301 ARG A NH2 1 ATOM 522 N N . VAL A 1 82 ? 22.075 2.427 -10.265 1.00 28.42 ? 302 VAL A N 1 ATOM 523 C CA . VAL A 1 82 ? 23.271 1.969 -10.978 1.00 27.83 ? 302 VAL A CA 1 ATOM 524 C C . VAL A 1 82 ? 24.509 2.543 -10.271 1.00 29.58 ? 302 VAL A C 1 ATOM 525 O O . VAL A 1 82 ? 24.559 3.741 -9.968 1.00 32.39 ? 302 VAL A O 1 ATOM 526 C CB . VAL A 1 82 ? 23.190 2.409 -12.470 1.00 31.85 ? 302 VAL A CB 1 ATOM 527 C CG1 . VAL A 1 82 ? 24.534 2.296 -13.194 1.00 27.18 ? 302 VAL A CG1 1 ATOM 528 C CG2 . VAL A 1 82 ? 22.106 1.616 -13.197 1.00 27.51 ? 302 VAL A CG2 1 ATOM 529 N N . VAL A 1 83 ? 25.497 1.694 -9.999 1.00 29.12 ? 303 VAL A N 1 ATOM 530 C CA . VAL A 1 83 ? 26.615 2.059 -9.106 1.00 28.41 ? 303 VAL A CA 1 ATOM 531 C C . VAL A 1 83 ? 27.975 1.617 -9.622 1.00 27.62 ? 303 VAL A C 1 ATOM 532 O O . VAL A 1 83 ? 28.205 0.437 -9.933 1.00 29.06 ? 303 VAL A O 1 ATOM 533 C CB . VAL A 1 83 ? 26.450 1.466 -7.681 1.00 30.51 ? 303 VAL A CB 1 ATOM 534 C CG1 . VAL A 1 83 ? 27.654 1.809 -6.819 1.00 31.16 ? 303 VAL A CG1 1 ATOM 535 C CG2 . VAL A 1 83 ? 25.174 1.952 -7.013 1.00 23.83 ? 303 VAL A CG2 1 ATOM 536 N N . SER A 1 84 ? 28.884 2.573 -9.687 1.00 29.08 ? 304 SER A N 1 ATOM 537 C CA . SER A 1 84 ? 30.253 2.294 -10.074 1.00 31.43 ? 304 SER A CA 1 ATOM 538 C C . SER A 1 84 ? 31.129 2.470 -8.843 1.00 30.75 ? 304 SER A C 1 ATOM 539 O O . SER A 1 84 ? 30.958 3.433 -8.095 1.00 29.35 ? 304 SER A O 1 ATOM 540 C CB . SER A 1 84 ? 30.682 3.273 -11.164 1.00 31.01 ? 304 SER A CB 1 ATOM 541 O OG . SER A 1 84 ? 31.952 2.940 -11.687 1.00 34.96 ? 304 SER A OG 1 ATOM 542 N N . VAL A 1 85 ? 32.068 1.554 -8.637 1.00 30.33 ? 305 VAL A N 1 ATOM 543 C CA . VAL A 1 85 ? 32.977 1.647 -7.487 1.00 31.93 ? 305 VAL A CA 1 ATOM 544 C C . VAL A 1 85 ? 34.449 1.710 -7.907 1.00 31.00 ? 305 VAL A C 1 ATOM 545 O O . VAL A 1 85 ? 34.891 0.937 -8.759 1.00 34.93 ? 305 VAL A O 1 ATOM 546 C CB . VAL A 1 85 ? 32.706 0.503 -6.493 1.00 33.07 ? 305 VAL A CB 1 ATOM 547 C CG1 . VAL A 1 85 ? 33.950 0.129 -5.715 1.00 40.60 ? 305 VAL A CG1 1 ATOM 548 C CG2 . VAL A 1 85 ? 31.610 0.930 -5.540 1.00 36.71 ? 305 VAL A CG2 1 ATOM 549 N N . LEU A 1 86 ? 35.193 2.647 -7.323 1.00 31.18 ? 306 LEU A N 1 ATOM 550 C CA . LEU A 1 86 ? 36.607 2.861 -7.674 1.00 25.89 ? 306 LEU A CA 1 ATOM 551 C C . LEU A 1 86 ? 37.506 2.702 -6.468 1.00 27.37 ? 306 LEU A C 1 ATOM 552 O O . LEU A 1 86 ? 37.318 3.370 -5.448 1.00 30.21 ? 306 LEU A O 1 ATOM 553 C CB . LEU A 1 86 ? 36.804 4.253 -8.275 1.00 26.88 ? 306 LEU A CB 1 ATOM 554 C CG . LEU A 1 86 ? 38.203 4.648 -8.768 1.00 32.57 ? 306 LEU A CG 1 ATOM 555 C CD1 . LEU A 1 86 ? 38.525 4.046 -10.136 1.00 32.21 ? 306 LEU A CD1 1 ATOM 556 C CD2 . LEU A 1 86 ? 38.363 6.163 -8.808 1.00 25.66 ? 306 LEU A CD2 1 ATOM 557 N N . THR A 1 87 ? 38.479 1.806 -6.581 1.00 31.79 ? 307 THR A N 1 ATOM 558 C CA . THR A 1 87 ? 39.507 1.665 -5.563 1.00 33.73 ? 307 THR A CA 1 ATOM 559 C C . THR A 1 87 ? 40.448 2.872 -5.681 1.00 36.15 ? 307 THR A C 1 ATOM 560 O O . THR A 1 87 ? 40.937 3.198 -6.772 1.00 33.26 ? 307 THR A O 1 ATOM 561 C CB . THR A 1 87 ? 40.311 0.357 -5.720 1.00 35.31 ? 307 THR A CB 1 ATOM 562 O OG1 . THR A 1 87 ? 39.436 -0.769 -5.651 1.00 31.46 ? 307 THR A OG1 1 ATOM 563 C CG2 . THR A 1 87 ? 41.311 0.223 -4.599 1.00 47.69 ? 307 THR A CG2 1 ATOM 564 N N . VAL A 1 88 ? 40.659 3.545 -4.557 1.00 29.52 ? 308 VAL A N 1 ATOM 565 C CA . VAL A 1 88 ? 41.608 4.646 -4.489 1.00 35.47 ? 308 VAL A CA 1 ATOM 566 C C . VAL A 1 88 ? 42.847 4.256 -3.661 1.00 38.20 ? 308 VAL A C 1 ATOM 567 O O . VAL A 1 88 ? 42.804 3.300 -2.875 1.00 45.32 ? 308 VAL A O 1 ATOM 568 C CB . VAL A 1 88 ? 40.936 5.932 -3.943 1.00 31.72 ? 308 VAL A CB 1 ATOM 569 C CG1 . VAL A 1 88 ? 39.617 6.154 -4.659 1.00 36.68 ? 308 VAL A CG1 1 ATOM 570 C CG2 . VAL A 1 88 ? 40.709 5.856 -2.439 1.00 27.98 ? 308 VAL A CG2 1 ATOM 571 N N . LEU A 1 89 ? 43.949 4.980 -3.844 1.00 32.98 ? 309 LEU A N 1 ATOM 572 C CA . LEU A 1 89 ? 45.127 4.766 -3.002 1.00 29.16 ? 309 LEU A CA 1 ATOM 573 C C . LEU A 1 89 ? 45.092 5.670 -1.768 1.00 28.36 ? 309 LEU A C 1 ATOM 574 O O . LEU A 1 89 ? 44.836 6.891 -1.883 1.00 26.45 ? 309 LEU A O 1 ATOM 575 C CB . LEU A 1 89 ? 46.427 4.974 -3.790 1.00 28.85 ? 309 LEU A CB 1 ATOM 576 C CG . LEU A 1 89 ? 46.678 4.182 -5.083 1.00 30.27 ? 309 LEU A CG 1 ATOM 577 C CD1 . LEU A 1 89 ? 47.949 4.664 -5.775 1.00 25.00 ? 309 LEU A CD1 1 ATOM 578 C CD2 . LEU A 1 89 ? 46.715 2.676 -4.833 1.00 25.99 ? 309 LEU A CD2 1 ATOM 579 N N . HIS A 1 90 ? 45.364 5.062 -0.605 1.00 22.51 ? 310 HIS A N 1 ATOM 580 C CA . HIS A 1 90 ? 45.386 5.761 0.690 1.00 20.83 ? 310 HIS A CA 1 ATOM 581 C C . HIS A 1 90 ? 46.029 7.112 0.601 1.00 23.21 ? 310 HIS A C 1 ATOM 582 O O . HIS A 1 90 ? 45.420 8.101 1.018 1.00 23.08 ? 310 HIS A O 1 ATOM 583 C CB . HIS A 1 90 ? 46.060 4.933 1.794 1.00 18.99 ? 310 HIS A CB 1 ATOM 584 C CG . HIS A 1 90 ? 45.505 3.526 1.957 1.00 18.69 ? 310 HIS A CG 1 ATOM 585 N ND1 . HIS A 1 90 ? 45.594 2.587 0.985 1.00 20.59 ? 310 HIS A ND1 1 ATOM 586 C CD2 . HIS A 1 90 ? 44.868 2.910 3.038 1.00 19.22 ? 310 HIS A CD2 1 ATOM 587 C CE1 . HIS A 1 90 ? 45.039 1.432 1.414 1.00 19.81 ? 310 HIS A CE1 1 ATOM 588 N NE2 . HIS A 1 90 ? 44.593 1.628 2.670 1.00 22.58 ? 310 HIS A NE2 1 ATOM 589 N N . GLN A 1 91 ? 47.241 7.198 0.040 1.00 25.30 ? 311 GLN A N 1 ATOM 590 C CA . GLN A 1 91 ? 47.971 8.474 0.119 1.00 30.17 ? 311 GLN A CA 1 ATOM 591 C C . GLN A 1 91 ? 47.444 9.490 -0.862 1.00 29.62 ? 311 GLN A C 1 ATOM 592 O O . GLN A 1 91 ? 47.475 10.678 -0.555 1.00 31.78 ? 311 GLN A O 1 ATOM 593 C CB A GLN A 1 91 ? 49.507 8.351 0.065 0.65 31.73 ? 311 GLN A CB 1 ATOM 594 C CB B GLN A 1 91 ? 49.484 8.255 -0.113 0.35 26.58 ? 311 GLN A CB 1 ATOM 595 C CG A GLN A 1 91 ? 50.177 8.188 1.437 0.65 42.99 ? 311 GLN A CG 1 ATOM 596 C CG B GLN A 1 91 ? 50.009 8.735 -1.464 0.35 26.38 ? 311 GLN A CG 1 ATOM 597 C CD A GLN A 1 91 ? 50.059 9.383 2.402 0.65 44.41 ? 311 GLN A CD 1 ATOM 598 C CD B GLN A 1 91 ? 51.241 7.992 -1.941 0.35 25.70 ? 311 GLN A CD 1 ATOM 599 O OE1 A GLN A 1 91 ? 50.130 10.550 2.007 0.65 41.41 ? 311 GLN A OE1 1 ATOM 600 O OE1 B GLN A 1 91 ? 51.414 6.805 -1.664 0.35 26.64 ? 311 GLN A OE1 1 ATOM 601 N NE2 A GLN A 1 91 ? 49.905 9.077 3.688 0.65 39.94 ? 311 GLN A NE2 1 ATOM 602 N NE2 B GLN A 1 91 ? 52.097 8.689 -2.678 0.35 23.73 ? 311 GLN A NE2 1 ATOM 603 N N . ASP A 1 92 ? 46.972 9.029 -2.026 1.00 30.75 ? 312 ASP A N 1 ATOM 604 C CA . ASP A 1 92 ? 46.313 9.919 -2.997 1.00 33.69 ? 312 ASP A CA 1 ATOM 605 C C . ASP A 1 92 ? 45.119 10.556 -2.295 1.00 34.84 ? 312 ASP A C 1 ATOM 606 O O . ASP A 1 92 ? 44.945 11.788 -2.303 1.00 33.50 ? 312 ASP A O 1 ATOM 607 C CB . ASP A 1 92 ? 45.814 9.148 -4.224 1.00 36.93 ? 312 ASP A CB 1 ATOM 608 C CG . ASP A 1 92 ? 46.934 8.555 -5.061 1.00 40.02 ? 312 ASP A CG 1 ATOM 609 O OD1 . ASP A 1 92 ? 48.106 8.961 -4.928 1.00 43.45 ? 312 ASP A OD1 1 ATOM 610 O OD2 . ASP A 1 92 ? 46.631 7.664 -5.872 1.00 44.77 ? 312 ASP A OD2 1 ATOM 611 N N . TRP A 1 93 ? 44.311 9.711 -1.660 1.00 27.30 ? 313 TRP A N 1 ATOM 612 C CA . TRP A 1 93 ? 43.194 10.226 -0.918 1.00 28.35 ? 313 TRP A CA 1 ATOM 613 C C . TRP A 1 93 ? 43.684 11.172 0.120 1.00 27.73 ? 313 TRP A C 1 ATOM 614 O O . TRP A 1 93 ? 43.229 12.315 0.162 1.00 34.43 ? 313 TRP A O 1 ATOM 615 C CB . TRP A 1 93 ? 42.355 9.133 -0.287 1.00 28.53 ? 313 TRP A CB 1 ATOM 616 C CG . TRP A 1 93 ? 41.155 9.724 0.410 1.00 29.69 ? 313 TRP A CG 1 ATOM 617 C CD1 . TRP A 1 93 ? 40.975 9.936 1.775 1.00 30.40 ? 313 TRP A CD1 1 ATOM 618 C CD2 . TRP A 1 93 ? 39.931 10.232 -0.217 1.00 29.65 ? 313 TRP A CD2 1 ATOM 619 N NE1 . TRP A 1 93 ? 39.756 10.515 2.026 1.00 29.21 ? 313 TRP A NE1 1 ATOM 620 C CE2 . TRP A 1 93 ? 39.082 10.723 0.879 1.00 28.38 ? 313 TRP A CE2 1 ATOM 621 C CE3 . TRP A 1 93 ? 39.467 10.321 -1.528 1.00 27.63 ? 313 TRP A CE3 1 ATOM 622 C CZ2 . TRP A 1 93 ? 37.838 11.275 0.649 1.00 29.23 ? 313 TRP A CZ2 1 ATOM 623 C CZ3 . TRP A 1 93 ? 38.203 10.885 -1.750 1.00 26.88 ? 313 TRP A CZ3 1 ATOM 624 C CH2 . TRP A 1 93 ? 37.411 11.344 -0.689 1.00 31.97 ? 313 TRP A CH2 1 ATOM 625 N N . LEU A 1 94 ? 44.624 10.727 0.955 1.00 29.54 ? 314 LEU A N 1 ATOM 626 C CA . LEU A 1 94 ? 45.112 11.579 2.052 1.00 33.38 ? 314 LEU A CA 1 ATOM 627 C C . LEU A 1 94 ? 45.792 12.865 1.562 1.00 34.93 ? 314 LEU A C 1 ATOM 628 O O . LEU A 1 94 ? 45.646 13.923 2.194 1.00 35.31 ? 314 LEU A O 1 ATOM 629 C CB . LEU A 1 94 ? 45.993 10.812 3.034 1.00 26.36 ? 314 LEU A CB 1 ATOM 630 C CG . LEU A 1 94 ? 45.266 9.706 3.796 1.00 29.61 ? 314 LEU A CG 1 ATOM 631 C CD1 . LEU A 1 94 ? 46.256 8.786 4.512 1.00 31.41 ? 314 LEU A CD1 1 ATOM 632 C CD2 . LEU A 1 94 ? 44.208 10.235 4.750 1.00 29.04 ? 314 LEU A CD2 1 ATOM 633 N N . ASN A 1 95 ? 46.480 12.787 0.423 1.00 28.80 ? 315 ASN A N 1 ATOM 634 C CA . ASN A 1 95 ? 47.070 13.971 -0.203 1.00 30.52 ? 315 ASN A CA 1 ATOM 635 C C . ASN A 1 95 ? 46.037 14.878 -0.865 1.00 33.10 ? 315 ASN A C 1 ATOM 636 O O . ASN A 1 95 ? 46.393 15.915 -1.435 1.00 37.01 ? 315 ASN A O 1 ATOM 637 C CB . ASN A 1 95 ? 48.144 13.574 -1.228 1.00 32.61 ? 315 ASN A CB 1 ATOM 638 C CG . ASN A 1 95 ? 49.399 13.002 -0.582 1.00 31.42 ? 315 ASN A CG 1 ATOM 639 O OD1 . ASN A 1 95 ? 49.647 13.180 0.610 1.00 38.22 ? 315 ASN A OD1 1 ATOM 640 N ND2 . ASN A 1 95 ? 50.198 12.315 -1.375 1.00 32.27 ? 315 ASN A ND2 1 ATOM 641 N N . GLY A 1 96 ? 44.765 14.480 -0.810 1.00 30.12 ? 316 GLY A N 1 ATOM 642 C CA . GLY A 1 96 ? 43.673 15.315 -1.306 1.00 25.35 ? 316 GLY A CA 1 ATOM 643 C C . GLY A 1 96 ? 43.525 15.442 -2.819 1.00 28.21 ? 316 GLY A C 1 ATOM 644 O O . GLY A 1 96 ? 43.073 16.482 -3.305 1.00 21.53 ? 316 GLY A O 1 ATOM 645 N N . LYS A 1 97 ? 43.906 14.396 -3.564 1.00 30.38 ? 317 LYS A N 1 ATOM 646 C CA . LYS A 1 97 ? 43.629 14.304 -5.006 1.00 29.07 ? 317 LYS A CA 1 ATOM 647 C C . LYS A 1 97 ? 42.114 14.328 -5.242 1.00 32.77 ? 317 LYS A C 1 ATOM 648 O O . LYS A 1 97 ? 41.347 13.907 -4.372 1.00 30.89 ? 317 LYS A O 1 ATOM 649 C CB . LYS A 1 97 ? 44.209 13.008 -5.581 1.00 31.71 ? 317 LYS A CB 1 ATOM 650 C CG . LYS A 1 97 ? 45.724 12.972 -5.717 1.00 38.83 ? 317 LYS A CG 1 ATOM 651 C CD . LYS A 1 97 ? 46.142 11.879 -6.691 1.00 55.26 ? 317 LYS A CD 1 ATOM 652 C CE . LYS A 1 97 ? 47.639 11.591 -6.682 1.00 50.73 ? 317 LYS A CE 1 ATOM 653 N NZ . LYS A 1 97 ? 48.436 12.714 -7.226 1.00 61.90 ? 317 LYS A NZ 1 ATOM 654 N N . GLU A 1 98 ? 41.688 14.845 -6.396 1.00 41.15 ? 318 GLU A N 1 ATOM 655 C CA . GLU A 1 98 ? 40.254 14.977 -6.722 1.00 38.81 ? 318 GLU A CA 1 ATOM 656 C C . GLU A 1 98 ? 39.816 13.793 -7.568 1.00 44.53 ? 318 GLU A C 1 ATOM 657 O O . GLU A 1 98 ? 40.479 13.434 -8.565 1.00 34.97 ? 318 GLU A O 1 ATOM 658 C CB . GLU A 1 98 ? 39.942 16.283 -7.481 1.00 43.01 ? 318 GLU A CB 1 ATOM 659 C CG . GLU A 1 98 ? 40.465 17.586 -6.863 1.00 62.59 ? 318 GLU A CG 1 ATOM 660 C CD . GLU A 1 98 ? 39.378 18.473 -6.253 1.00 79.95 ? 318 GLU A CD 1 ATOM 661 O OE1 . GLU A 1 98 ? 38.521 17.964 -5.494 1.00 90.57 ? 318 GLU A OE1 1 ATOM 662 O OE2 . GLU A 1 98 ? 39.389 19.697 -6.518 1.00 70.86 ? 318 GLU A OE2 1 ATOM 663 N N . TYR A 1 99 ? 38.697 13.193 -7.159 1.00 45.04 ? 319 TYR A N 1 ATOM 664 C CA . TYR A 1 99 ? 38.060 12.091 -7.886 1.00 37.03 ? 319 TYR A CA 1 ATOM 665 C C . TYR A 1 99 ? 36.786 12.574 -8.570 1.00 39.60 ? 319 TYR A C 1 ATOM 666 O O . TYR A 1 99 ? 35.909 13.186 -7.931 1.00 39.10 ? 319 TYR A O 1 ATOM 667 C CB . TYR A 1 99 ? 37.782 10.923 -6.936 1.00 33.33 ? 319 TYR A CB 1 ATOM 668 C CG . TYR A 1 99 ? 39.067 10.373 -6.370 1.00 37.75 ? 319 TYR A CG 1 ATOM 669 C CD1 . TYR A 1 99 ? 39.607 10.880 -5.179 1.00 30.48 ? 319 TYR A CD1 1 ATOM 670 C CD2 . TYR A 1 99 ? 39.778 9.381 -7.053 1.00 32.45 ? 319 TYR A CD2 1 ATOM 671 C CE1 . TYR A 1 99 ? 40.801 10.399 -4.686 1.00 29.49 ? 319 TYR A CE1 1 ATOM 672 C CE2 . TYR A 1 99 ? 40.971 8.892 -6.559 1.00 30.75 ? 319 TYR A CE2 1 ATOM 673 C CZ . TYR A 1 99 ? 41.478 9.406 -5.380 1.00 31.20 ? 319 TYR A CZ 1 ATOM 674 O OH . TYR A 1 99 ? 42.674 8.928 -4.905 1.00 29.68 ? 319 TYR A OH 1 ATOM 675 N N . LYS A 1 100 ? 36.708 12.328 -9.877 1.00 36.41 ? 320 LYS A N 1 ATOM 676 C CA . LYS A 1 100 ? 35.582 12.802 -10.679 1.00 43.49 ? 320 LYS A CA 1 ATOM 677 C C . LYS A 1 100 ? 34.831 11.661 -11.350 1.00 44.87 ? 320 LYS A C 1 ATOM 678 O O . LYS A 1 100 ? 35.418 10.849 -12.077 1.00 40.71 ? 320 LYS A O 1 ATOM 679 C CB . LYS A 1 100 ? 36.038 13.819 -11.727 1.00 46.12 ? 320 LYS A CB 1 ATOM 680 C CG . LYS A 1 100 ? 34.923 14.291 -12.650 1.00 54.20 ? 320 LYS A CG 1 ATOM 681 C CD . LYS A 1 100 ? 35.468 14.824 -13.963 1.00 57.95 ? 320 LYS A CD 1 ATOM 682 C CE . LYS A 1 100 ? 35.643 16.331 -13.930 1.00 58.80 ? 320 LYS A CE 1 ATOM 683 N NZ . LYS A 1 100 ? 36.317 16.757 -15.179 1.00 59.30 ? 320 LYS A NZ 1 ATOM 684 N N . CYS A 1 101 ? 33.527 11.614 -11.094 1.00 40.02 ? 321 CYS A N 1 ATOM 685 C CA . CYS A 1 101 ? 32.640 10.671 -11.757 1.00 35.86 ? 321 CYS A CA 1 ATOM 686 C C . CYS A 1 101 ? 31.904 11.351 -12.912 1.00 33.80 ? 321 CYS A C 1 ATOM 687 O O . CYS A 1 101 ? 31.255 12.390 -12.728 1.00 32.47 ? 321 CYS A O 1 ATOM 688 C CB . CYS A 1 101 ? 31.634 10.114 -10.763 1.00 35.46 ? 321 CYS A CB 1 ATOM 689 S SG . CYS A 1 101 ? 30.702 8.741 -11.452 1.00 41.77 ? 321 CYS A SG 1 ATOM 690 N N . LYS A 1 102 ? 32.030 10.784 -14.106 1.00 30.37 ? 322 LYS A N 1 ATOM 691 C CA . LYS A 1 102 ? 31.283 11.280 -15.257 1.00 35.36 ? 322 LYS A CA 1 ATOM 692 C C . LYS A 1 102 ? 30.284 10.213 -15.669 1.00 38.03 ? 322 LYS A C 1 ATOM 693 O O . LYS A 1 102 ? 30.666 9.069 -15.955 1.00 30.83 ? 322 LYS A O 1 ATOM 694 C CB . LYS A 1 102 ? 32.205 11.608 -16.421 1.00 38.03 ? 322 LYS A CB 1 ATOM 695 C CG . LYS A 1 102 ? 31.525 12.345 -17.566 1.00 34.47 ? 322 LYS A CG 1 ATOM 696 C CD . LYS A 1 102 ? 32.091 11.874 -18.892 1.00 39.17 ? 322 LYS A CD 1 ATOM 697 C CE . LYS A 1 102 ? 32.410 13.046 -19.796 1.00 55.16 ? 322 LYS A CE 1 ATOM 698 N NZ . LYS A 1 102 ? 33.648 12.788 -20.580 1.00 57.58 ? 322 LYS A NZ 1 ATOM 699 N N . VAL A 1 103 ? 29.006 10.594 -15.679 1.00 39.02 ? 323 VAL A N 1 ATOM 700 C CA . VAL A 1 103 ? 27.920 9.661 -15.966 1.00 33.61 ? 323 VAL A CA 1 ATOM 701 C C . VAL A 1 103 ? 27.216 10.032 -17.260 1.00 35.20 ? 323 VAL A C 1 ATOM 702 O O . VAL A 1 103 ? 26.738 11.159 -17.424 1.00 36.68 ? 323 VAL A O 1 ATOM 703 C CB . VAL A 1 103 ? 26.911 9.613 -14.807 1.00 36.13 ? 323 VAL A CB 1 ATOM 704 C CG1 . VAL A 1 103 ? 25.697 8.771 -15.185 1.00 34.39 ? 323 VAL A CG1 1 ATOM 705 C CG2 . VAL A 1 103 ? 27.580 9.083 -13.537 1.00 30.64 ? 323 VAL A CG2 1 ATOM 706 N N . SER A 1 104 ? 27.167 9.080 -18.182 1.00 36.65 ? 324 SER A N 1 ATOM 707 C CA . SER A 1 104 ? 26.454 9.271 -19.445 1.00 38.86 ? 324 SER A CA 1 ATOM 708 C C . SER A 1 104 ? 25.278 8.313 -19.578 1.00 40.57 ? 324 SER A C 1 ATOM 709 O O . SER A 1 104 ? 25.350 7.161 -19.130 1.00 44.69 ? 324 SER A O 1 ATOM 710 C CB . SER A 1 104 ? 27.408 9.116 -20.623 1.00 37.17 ? 324 SER A CB 1 ATOM 711 O OG . SER A 1 104 ? 28.281 10.221 -20.662 1.00 36.68 ? 324 SER A OG 1 ATOM 712 N N . ASN A 1 105 ? 24.206 8.806 -20.203 1.00 50.03 ? 325 ASN A N 1 ATOM 713 C CA . ASN A 1 105 ? 22.917 8.108 -20.311 1.00 47.37 ? 325 ASN A CA 1 ATOM 714 C C . ASN A 1 105 ? 22.002 8.836 -21.308 1.00 52.80 ? 325 ASN A C 1 ATOM 715 O O . ASN A 1 105 ? 21.974 10.073 -21.347 1.00 50.39 ? 325 ASN A O 1 ATOM 716 C CB . ASN A 1 105 ? 22.270 8.015 -18.927 1.00 46.21 ? 325 ASN A CB 1 ATOM 717 C CG . ASN A 1 105 ? 20.880 7.415 -18.954 1.00 44.36 ? 325 ASN A CG 1 ATOM 718 O OD1 . ASN A 1 105 ? 19.887 8.133 -18.811 1.00 42.11 ? 325 ASN A OD1 1 ATOM 719 N ND2 . ASN A 1 105 ? 20.800 6.098 -19.104 1.00 37.13 ? 325 ASN A ND2 1 ATOM 720 N N . LYS A 1 106 ? 21.263 8.072 -22.116 1.00 51.58 ? 326 LYS A N 1 ATOM 721 C CA . LYS A 1 106 ? 20.459 8.654 -23.200 1.00 47.80 ? 326 LYS A CA 1 ATOM 722 C C . LYS A 1 106 ? 19.390 9.644 -22.732 1.00 47.16 ? 326 LYS A C 1 ATOM 723 O O . LYS A 1 106 ? 19.071 10.591 -23.451 1.00 47.00 ? 326 LYS A O 1 ATOM 724 C CB . LYS A 1 106 ? 19.830 7.569 -24.068 1.00 48.88 ? 326 LYS A CB 1 ATOM 725 C CG . LYS A 1 106 ? 20.802 6.859 -24.998 1.00 48.93 ? 326 LYS A CG 1 ATOM 726 C CD . LYS A 1 106 ? 20.091 5.744 -25.750 1.00 51.59 ? 326 LYS A CD 1 ATOM 727 C CE . LYS A 1 106 ? 20.908 5.218 -26.924 1.00 55.34 ? 326 LYS A CE 1 ATOM 728 N NZ . LYS A 1 106 ? 21.724 4.033 -26.549 1.00 56.83 ? 326 LYS A NZ 1 ATOM 729 N N . ALA A 1 107 ? 18.856 9.439 -21.529 1.00 47.71 ? 327 ALA A N 1 ATOM 730 C CA . ALA A 1 107 ? 17.864 10.356 -20.941 1.00 43.49 ? 327 ALA A CA 1 ATOM 731 C C . ALA A 1 107 ? 18.469 11.704 -20.573 1.00 49.31 ? 327 ALA A C 1 ATOM 732 O O . ALA A 1 107 ? 17.770 12.612 -20.107 1.00 56.81 ? 327 ALA A O 1 ATOM 733 C CB . ALA A 1 107 ? 17.230 9.729 -19.710 1.00 36.72 ? 327 ALA A CB 1 ATOM 734 N N . LEU A 1 108 ? 19.771 11.830 -20.793 1.00 52.84 ? 328 LEU A N 1 ATOM 735 C CA . LEU A 1 108 ? 20.528 12.961 -20.296 1.00 55.55 ? 328 LEU A CA 1 ATOM 736 C C . LEU A 1 108 ? 20.979 13.808 -21.480 1.00 57.27 ? 328 LEU A C 1 ATOM 737 O O . LEU A 1 108 ? 21.706 13.312 -22.345 1.00 52.97 ? 328 LEU A O 1 ATOM 738 C CB . LEU A 1 108 ? 21.735 12.433 -19.515 1.00 55.44 ? 328 LEU A CB 1 ATOM 739 C CG . LEU A 1 108 ? 21.998 12.779 -18.047 1.00 46.38 ? 328 LEU A CG 1 ATOM 740 C CD1 . LEU A 1 108 ? 20.719 12.922 -17.240 1.00 36.26 ? 328 LEU A CD1 1 ATOM 741 C CD2 . LEU A 1 108 ? 22.916 11.727 -17.444 1.00 35.28 ? 328 LEU A CD2 1 ATOM 742 N N . PRO A 1 109 ? 20.533 15.079 -21.537 1.00 65.03 ? 329 PRO A N 1 ATOM 743 C CA . PRO A 1 109 ? 20.989 15.996 -22.589 1.00 66.46 ? 329 PRO A CA 1 ATOM 744 C C . PRO A 1 109 ? 22.520 16.016 -22.678 1.00 69.22 ? 329 PRO A C 1 ATOM 745 O O . PRO A 1 109 ? 23.076 15.761 -23.746 1.00 70.88 ? 329 PRO A O 1 ATOM 746 C CB . PRO A 1 109 ? 20.441 17.365 -22.143 1.00 68.36 ? 329 PRO A CB 1 ATOM 747 C CG . PRO A 1 109 ? 19.934 17.181 -20.744 1.00 70.30 ? 329 PRO A CG 1 ATOM 748 C CD . PRO A 1 109 ? 19.583 15.729 -20.616 1.00 71.76 ? 329 PRO A CD 1 ATOM 749 N N . ALA A 1 110 ? 23.182 16.292 -21.556 1.00 66.66 ? 330 ALA A N 1 ATOM 750 C CA . ALA A 1 110 ? 24.636 16.162 -21.443 1.00 59.55 ? 330 ALA A CA 1 ATOM 751 C C . ALA A 1 110 ? 25.019 15.310 -20.215 1.00 57.25 ? 330 ALA A C 1 ATOM 752 O O . ALA A 1 110 ? 24.239 15.226 -19.253 1.00 52.67 ? 330 ALA A O 1 ATOM 753 C CB . ALA A 1 110 ? 25.278 17.534 -21.365 1.00 46.11 ? 330 ALA A CB 1 ATOM 754 N N . PRO A 1 111 ? 26.212 14.671 -20.247 1.00 45.30 ? 331 PRO A N 1 ATOM 755 C CA . PRO A 1 111 ? 26.724 13.881 -19.118 1.00 41.50 ? 331 PRO A CA 1 ATOM 756 C C . PRO A 1 111 ? 26.811 14.699 -17.844 1.00 44.10 ? 331 PRO A C 1 ATOM 757 O O . PRO A 1 111 ? 27.075 15.894 -17.919 1.00 48.92 ? 331 PRO A O 1 ATOM 758 C CB . PRO A 1 111 ? 28.134 13.498 -19.565 1.00 40.22 ? 331 PRO A CB 1 ATOM 759 C CG . PRO A 1 111 ? 28.084 13.517 -21.051 1.00 39.48 ? 331 PRO A CG 1 ATOM 760 C CD . PRO A 1 111 ? 27.102 14.593 -21.422 1.00 43.31 ? 331 PRO A CD 1 ATOM 761 N N . ILE A 1 112 ? 26.568 14.060 -16.694 1.00 50.97 ? 332 ILE A N 1 ATOM 762 C CA . ILE A 1 112 ? 26.648 14.707 -15.373 1.00 42.05 ? 332 ILE A CA 1 ATOM 763 C C . ILE A 1 112 ? 27.980 14.375 -14.714 1.00 44.99 ? 332 ILE A C 1 ATOM 764 O O . ILE A 1 112 ? 28.403 13.213 -14.715 1.00 46.76 ? 332 ILE A O 1 ATOM 765 C CB . ILE A 1 112 ? 25.539 14.218 -14.421 1.00 42.23 ? 332 ILE A CB 1 ATOM 766 C CG1 . ILE A 1 112 ? 24.151 14.553 -14.967 1.00 41.38 ? 332 ILE A CG1 1 ATOM 767 C CG2 . ILE A 1 112 ? 25.727 14.797 -13.015 1.00 42.06 ? 332 ILE A CG2 1 ATOM 768 C CD1 . ILE A 1 112 ? 23.057 13.704 -14.344 1.00 46.96 ? 332 ILE A CD1 1 ATOM 769 N N . GLU A 1 113 ? 28.623 15.393 -14.142 1.00 46.59 ? 333 GLU A N 1 ATOM 770 C CA . GLU A 1 113 ? 29.933 15.245 -13.500 1.00 42.77 ? 333 GLU A CA 1 ATOM 771 C C . GLU A 1 113 ? 29.890 15.699 -12.060 1.00 45.30 ? 333 GLU A C 1 ATOM 772 O O . GLU A 1 113 ? 29.513 16.839 -11.782 1.00 46.89 ? 333 GLU A O 1 ATOM 773 C CB . GLU A 1 113 ? 30.979 16.092 -14.209 1.00 45.74 ? 333 GLU A CB 1 ATOM 774 C CG . GLU A 1 113 ? 31.155 15.810 -15.688 1.00 54.66 ? 333 GLU A CG 1 ATOM 775 C CD . GLU A 1 113 ? 32.320 16.577 -16.273 1.00 57.70 ? 333 GLU A CD 1 ATOM 776 O OE1 . GLU A 1 113 ? 32.817 16.168 -17.343 1.00 66.51 ? 333 GLU A OE1 1 ATOM 777 O OE2 . GLU A 1 113 ? 32.742 17.580 -15.654 1.00 64.24 ? 333 GLU A OE2 1 ATOM 778 N N . LYS A 1 114 ? 30.292 14.815 -11.148 1.00 47.67 ? 334 LYS A N 1 ATOM 779 C CA . LYS A 1 114 ? 30.477 15.179 -9.742 1.00 41.18 ? 334 LYS A CA 1 ATOM 780 C C . LYS A 1 114 ? 31.929 14.976 -9.333 1.00 40.38 ? 334 LYS A C 1 ATOM 781 O O . LYS A 1 114 ? 32.624 14.134 -9.903 1.00 45.70 ? 334 LYS A O 1 ATOM 782 C CB . LYS A 1 114 ? 29.569 14.353 -8.845 1.00 40.66 ? 334 LYS A CB 1 ATOM 783 C CG . LYS A 1 114 ? 28.085 14.517 -9.116 1.00 41.44 ? 334 LYS A CG 1 ATOM 784 C CD . LYS A 1 114 ? 27.588 15.888 -8.706 1.00 45.81 ? 334 LYS A CD 1 ATOM 785 C CE . LYS A 1 114 ? 26.113 15.851 -8.351 1.00 42.95 ? 334 LYS A CE 1 ATOM 786 N NZ . LYS A 1 114 ? 25.523 17.207 -8.498 1.00 46.00 ? 334 LYS A NZ 1 ATOM 787 N N . THR A 1 115 ? 32.386 15.741 -8.344 1.00 40.32 ? 335 THR A N 1 ATOM 788 C CA . THR A 1 115 ? 33.778 15.653 -7.893 1.00 37.15 ? 335 THR A CA 1 ATOM 789 C C . THR A 1 115 ? 33.871 15.514 -6.375 1.00 35.57 ? 335 THR A C 1 ATOM 790 O O . THR A 1 115 ? 33.200 16.224 -5.618 1.00 33.54 ? 335 THR A O 1 ATOM 791 C CB . THR A 1 115 ? 34.637 16.834 -8.433 1.00 44.29 ? 335 THR A CB 1 ATOM 792 O OG1 . THR A 1 115 ? 34.802 16.699 -9.855 1.00 47.23 ? 335 THR A OG1 1 ATOM 793 C CG2 . THR A 1 115 ? 36.027 16.859 -7.804 1.00 43.80 ? 335 THR A CG2 1 ATOM 794 N N . ILE A 1 116 ? 34.702 14.582 -5.929 1.00 37.99 ? 336 ILE A N 1 ATOM 795 C CA . ILE A 1 116 ? 34.909 14.387 -4.496 1.00 34.93 ? 336 ILE A CA 1 ATOM 796 C C . ILE A 1 116 ? 36.394 14.382 -4.168 1.00 33.23 ? 336 ILE A C 1 ATOM 797 O O . ILE A 1 116 ? 37.214 13.926 -4.970 1.00 36.19 ? 336 ILE A O 1 ATOM 798 C CB . ILE A 1 116 ? 34.238 13.088 -3.997 1.00 34.54 ? 336 ILE A CB 1 ATOM 799 C CG1 . ILE A 1 116 ? 34.009 13.147 -2.488 1.00 34.91 ? 336 ILE A CG1 1 ATOM 800 C CG2 . ILE A 1 116 ? 35.045 11.855 -4.406 1.00 34.45 ? 336 ILE A CG2 1 ATOM 801 C CD1 . ILE A 1 116 ? 32.997 12.145 -1.975 1.00 32.13 ? 336 ILE A CD1 1 ATOM 802 N N . SER A 1 117 ? 36.716 14.916 -2.993 1.00 35.77 ? 337 SER A N 1 ATOM 803 C CA . SER A 1 117 ? 38.050 14.873 -2.404 1.00 32.78 ? 337 SER A CA 1 ATOM 804 C C . SER A 1 117 ? 37.898 14.806 -0.888 1.00 33.42 ? 337 SER A C 1 ATOM 805 O O . SER A 1 117 ? 36.804 14.987 -0.363 1.00 36.15 ? 337 SER A O 1 ATOM 806 C CB . SER A 1 117 ? 38.849 16.121 -2.792 1.00 38.09 ? 337 SER A CB 1 ATOM 807 O OG . SER A 1 117 ? 38.375 17.273 -2.103 1.00 41.86 ? 337 SER A OG 1 ATOM 808 N N . LYS A 1 118 ? 38.997 14.540 -0.191 1.00 39.68 ? 338 LYS A N 1 ATOM 809 C CA . LYS A 1 118 ? 39.062 14.651 1.269 1.00 35.27 ? 338 LYS A CA 1 ATOM 810 C C . LYS A 1 118 ? 38.746 16.088 1.709 1.00 33.57 ? 338 LYS A C 1 ATOM 811 O O . LYS A 1 118 ? 38.910 17.050 0.940 1.00 29.66 ? 338 LYS A O 1 ATOM 812 C CB . LYS A 1 118 ? 40.469 14.270 1.735 1.00 35.13 ? 338 LYS A CB 1 ATOM 813 C CG . LYS A 1 118 ? 40.566 13.829 3.187 1.00 38.63 ? 338 LYS A CG 1 ATOM 814 C CD . LYS A 1 118 ? 42.009 13.809 3.666 1.00 44.73 ? 338 LYS A CD 1 ATOM 815 C CE . LYS A 1 118 ? 42.476 15.207 4.044 1.00 45.55 ? 338 LYS A CE 1 ATOM 816 N NZ . LYS A 1 118 ? 43.923 15.335 3.781 1.00 33.48 ? 338 LYS A NZ 1 ATOM 817 N N . ALA A 1 119 ? 38.285 16.241 2.942 1.00 34.34 ? 339 ALA A N 1 ATOM 818 C CA . ALA A 1 119 ? 37.976 17.577 3.445 1.00 36.03 ? 339 ALA A CA 1 ATOM 819 C C . ALA A 1 119 ? 39.190 18.498 3.297 1.00 34.02 ? 339 ALA A C 1 ATOM 820 O O . ALA A 1 119 ? 40.293 18.156 3.707 1.00 28.99 ? 339 ALA A O 1 ATOM 821 C CB . ALA A 1 119 ? 37.510 17.509 4.888 1.00 43.01 ? 339 ALA A CB 1 ATOM 822 N N . LYS A 1 120 ? 38.974 19.649 2.673 1.00 40.57 ? 340 LYS A N 1 ATOM 823 C CA . LYS A 1 120 ? 40.019 20.652 2.473 1.00 37.66 ? 340 LYS A CA 1 ATOM 824 C C . LYS A 1 120 ? 40.475 21.262 3.808 1.00 39.64 ? 340 LYS A C 1 ATOM 825 O O . LYS A 1 120 ? 39.716 21.282 4.772 1.00 41.26 ? 340 LYS A O 1 ATOM 826 C CB . LYS A 1 120 ? 39.502 21.736 1.518 1.00 40.23 ? 340 LYS A CB 1 ATOM 827 C CG . LYS A 1 120 ? 39.990 21.650 0.069 1.00 44.27 ? 340 LYS A CG 1 ATOM 828 C CD . LYS A 1 120 ? 39.616 20.362 -0.649 1.00 50.80 ? 340 LYS A CD 1 ATOM 829 C CE . LYS A 1 120 ? 38.489 20.570 -1.645 1.00 58.09 ? 340 LYS A CE 1 ATOM 830 N NZ . LYS A 1 120 ? 38.943 21.356 -2.819 1.00 54.66 ? 340 LYS A NZ 1 ATOM 831 N N . GLY A 1 121 ? 41.726 21.720 3.871 1.00 41.79 ? 341 GLY A N 1 ATOM 832 C CA . GLY A 1 121 ? 42.260 22.385 5.069 1.00 30.90 ? 341 GLY A CA 1 ATOM 833 C C . GLY A 1 121 ? 43.400 21.621 5.724 1.00 31.58 ? 341 GLY A C 1 ATOM 834 O O . GLY A 1 121 ? 43.514 20.413 5.558 1.00 30.83 ? 341 GLY A O 1 ATOM 835 N N . GLN A 1 122 ? 44.238 22.324 6.483 1.00 32.06 ? 342 GLN A N 1 ATOM 836 C CA . GLN A 1 122 ? 45.398 21.713 7.142 1.00 29.33 ? 342 GLN A CA 1 ATOM 837 C C . GLN A 1 122 ? 44.965 20.825 8.287 1.00 31.98 ? 342 GLN A C 1 ATOM 838 O O . GLN A 1 122 ? 44.382 21.318 9.256 1.00 29.77 ? 342 GLN A O 1 ATOM 839 C CB . GLN A 1 122 ? 46.323 22.783 7.717 1.00 31.47 ? 342 GLN A CB 1 ATOM 840 C CG . GLN A 1 122 ? 47.077 23.616 6.693 1.00 34.09 ? 342 GLN A CG 1 ATOM 841 C CD . GLN A 1 122 ? 47.932 24.690 7.345 1.00 40.16 ? 342 GLN A CD 1 ATOM 842 O OE1 . GLN A 1 122 ? 48.075 24.740 8.582 1.00 43.26 ? 342 GLN A OE1 1 ATOM 843 N NE2 . GLN A 1 122 ? 48.499 25.566 6.519 1.00 32.42 ? 342 GLN A NE2 1 ATOM 844 N N . PRO A 1 123 ? 45.265 19.513 8.205 1.00 34.35 ? 343 PRO A N 1 ATOM 845 C CA . PRO A 1 123 ? 44.954 18.635 9.347 1.00 31.10 ? 343 PRO A CA 1 ATOM 846 C C . PRO A 1 123 ? 45.557 19.126 10.683 1.00 35.37 ? 343 PRO A C 1 ATOM 847 O O . PRO A 1 123 ? 46.610 19.757 10.692 1.00 43.81 ? 343 PRO A O 1 ATOM 848 C CB . PRO A 1 123 ? 45.569 17.291 8.942 1.00 27.60 ? 343 PRO A CB 1 ATOM 849 C CG . PRO A 1 123 ? 45.689 17.339 7.455 1.00 25.91 ? 343 PRO A CG 1 ATOM 850 C CD . PRO A 1 123 ? 45.869 18.778 7.074 1.00 26.46 ? 343 PRO A CD 1 ATOM 851 N N . ARG A 1 124 ? 44.873 18.854 11.790 1.00 36.58 ? 344 ARG A N 1 ATOM 852 C CA . ARG A 1 124 ? 45.373 19.156 13.131 1.00 29.88 ? 344 ARG A CA 1 ATOM 853 C C . ARG A 1 124 ? 45.287 17.886 13.939 1.00 27.88 ? 344 ARG A C 1 ATOM 854 O O . ARG A 1 124 ? 44.378 17.084 13.753 1.00 26.96 ? 344 ARG A O 1 ATOM 855 C CB . ARG A 1 124 ? 44.535 20.228 13.824 1.00 28.52 ? 344 ARG A CB 1 ATOM 856 C CG . ARG A 1 124 ? 44.844 21.654 13.411 1.00 30.24 ? 344 ARG A CG 1 ATOM 857 C CD . ARG A 1 124 ? 43.944 22.618 14.173 1.00 35.47 ? 344 ARG A CD 1 ATOM 858 N NE . ARG A 1 124 ? 44.104 22.528 15.626 1.00 39.59 ? 344 ARG A NE 1 ATOM 859 C CZ . ARG A 1 124 ? 43.625 23.428 16.484 1.00 46.43 ? 344 ARG A CZ 1 ATOM 860 N NH1 . ARG A 1 124 ? 42.965 24.490 16.038 1.00 45.54 ? 344 ARG A NH1 1 ATOM 861 N NH2 . ARG A 1 124 ? 43.812 23.276 17.790 1.00 44.11 ? 344 ARG A NH2 1 ATOM 862 N N . GLU A 1 125 ? 46.226 17.723 14.857 1.00 36.02 ? 345 GLU A N 1 ATOM 863 C CA . GLU A 1 125 ? 46.364 16.485 15.602 1.00 38.79 ? 345 GLU A CA 1 ATOM 864 C C . GLU A 1 125 ? 45.365 16.403 16.755 1.00 36.11 ? 345 GLU A C 1 ATOM 865 O O . GLU A 1 125 ? 45.184 17.377 17.492 1.00 36.95 ? 345 GLU A O 1 ATOM 866 C CB . GLU A 1 125 ? 47.788 16.370 16.140 1.00 41.94 ? 345 GLU A CB 1 ATOM 867 C CG . GLU A 1 125 ? 48.318 14.951 16.196 1.00 51.95 ? 345 GLU A CG 1 ATOM 868 C CD . GLU A 1 125 ? 49.535 14.820 17.083 1.00 54.28 ? 345 GLU A CD 1 ATOM 869 O OE1 . GLU A 1 125 ? 50.069 13.697 17.191 1.00 65.34 ? 345 GLU A OE1 1 ATOM 870 O OE2 . GLU A 1 125 ? 49.949 15.835 17.679 1.00 56.01 ? 345 GLU A OE2 1 ATOM 871 N N . PRO A 1 126 ? 44.704 15.238 16.904 1.00 31.73 ? 346 PRO A N 1 ATOM 872 C CA . PRO A 1 126 ? 43.911 14.924 18.094 1.00 32.55 ? 346 PRO A CA 1 ATOM 873 C C . PRO A 1 126 ? 44.764 14.933 19.353 1.00 38.08 ? 346 PRO A C 1 ATOM 874 O O . PRO A 1 126 ? 45.669 14.114 19.477 1.00 38.61 ? 346 PRO A O 1 ATOM 875 C CB . PRO A 1 126 ? 43.448 13.493 17.853 1.00 27.32 ? 346 PRO A CB 1 ATOM 876 C CG . PRO A 1 126 ? 43.557 13.276 16.402 1.00 29.23 ? 346 PRO A CG 1 ATOM 877 C CD . PRO A 1 126 ? 44.543 14.240 15.837 1.00 27.01 ? 346 PRO A CD 1 ATOM 878 N N . GLN A 1 127 ? 44.493 15.857 20.269 1.00 36.45 ? 347 GLN A N 1 ATOM 879 C CA . GLN A 1 127 ? 44.996 15.729 21.630 1.00 38.23 ? 347 GLN A CA 1 ATOM 880 C C . GLN A 1 127 ? 44.057 14.763 22.340 1.00 39.56 ? 347 GLN A C 1 ATOM 881 O O . GLN A 1 127 ? 42.843 14.959 22.327 1.00 45.65 ? 347 GLN A O 1 ATOM 882 C CB . GLN A 1 127 ? 45.054 17.088 22.341 1.00 48.54 ? 347 GLN A CB 1 ATOM 883 C CG . GLN A 1 127 ? 45.806 18.183 21.580 1.00 64.91 ? 347 GLN A CG 1 ATOM 884 C CD . GLN A 1 127 ? 47.117 17.705 20.958 1.00 81.11 ? 347 GLN A CD 1 ATOM 885 O OE1 . GLN A 1 127 ? 48.108 17.468 21.655 1.00 81.24 ? 347 GLN A OE1 1 ATOM 886 N NE2 . GLN A 1 127 ? 47.126 17.568 19.635 1.00 92.87 ? 347 GLN A NE2 1 ATOM 887 N N . VAL A 1 128 ? 44.616 13.705 22.925 1.00 38.46 ? 348 VAL A N 1 ATOM 888 C CA . VAL A 1 128 ? 43.823 12.618 23.514 1.00 34.43 ? 348 VAL A CA 1 ATOM 889 C C . VAL A 1 128 ? 44.099 12.416 25.011 1.00 40.22 ? 348 VAL A C 1 ATOM 890 O O . VAL A 1 128 ? 45.213 12.071 25.400 1.00 47.40 ? 348 VAL A O 1 ATOM 891 C CB . VAL A 1 128 ? 44.105 11.287 22.797 1.00 28.56 ? 348 VAL A CB 1 ATOM 892 C CG1 . VAL A 1 128 ? 43.093 10.226 23.211 1.00 27.20 ? 348 VAL A CG1 1 ATOM 893 C CG2 . VAL A 1 128 ? 44.110 11.489 21.293 1.00 24.95 ? 348 VAL A CG2 1 ATOM 894 N N . TYR A 1 129 ? 43.076 12.603 25.841 1.00 38.98 ? 349 TYR A N 1 ATOM 895 C CA . TYR A 1 129 ? 43.221 12.465 27.292 1.00 32.58 ? 349 TYR A CA 1 ATOM 896 C C . TYR A 1 129 ? 42.252 11.453 27.880 1.00 35.49 ? 349 TYR A C 1 ATOM 897 O O . TYR A 1 129 ? 41.079 11.417 27.511 1.00 50.69 ? 349 TYR A O 1 ATOM 898 C CB . TYR A 1 129 ? 43.020 13.813 27.965 1.00 28.89 ? 349 TYR A CB 1 ATOM 899 C CG . TYR A 1 129 ? 43.801 14.913 27.319 1.00 26.68 ? 349 TYR A CG 1 ATOM 900 C CD1 . TYR A 1 129 ? 45.157 15.079 27.578 1.00 29.47 ? 349 TYR A CD1 1 ATOM 901 C CD2 . TYR A 1 129 ? 43.195 15.784 26.440 1.00 30.36 ? 349 TYR A CD2 1 ATOM 902 C CE1 . TYR A 1 129 ? 45.883 16.092 26.974 1.00 27.64 ? 349 TYR A CE1 1 ATOM 903 C CE2 . TYR A 1 129 ? 43.915 16.792 25.828 1.00 33.90 ? 349 TYR A CE2 1 ATOM 904 C CZ . TYR A 1 129 ? 45.259 16.935 26.102 1.00 28.78 ? 349 TYR A CZ 1 ATOM 905 O OH . TYR A 1 129 ? 45.960 17.939 25.492 1.00 39.02 ? 349 TYR A OH 1 ATOM 906 N N . THR A 1 130 ? 42.743 10.612 28.782 1.00 32.31 ? 350 THR A N 1 ATOM 907 C CA . THR A 1 130 ? 41.867 9.703 29.509 1.00 32.10 ? 350 THR A CA 1 ATOM 908 C C . THR A 1 130 ? 41.498 10.321 30.853 1.00 32.87 ? 350 THR A C 1 ATOM 909 O O . THR A 1 130 ? 42.296 11.019 31.474 1.00 33.75 ? 350 THR A O 1 ATOM 910 C CB . THR A 1 130 ? 42.504 8.330 29.742 1.00 37.48 ? 350 THR A CB 1 ATOM 911 O OG1 . THR A 1 130 ? 43.848 8.506 30.190 1.00 44.84 ? 350 THR A OG1 1 ATOM 912 C CG2 . THR A 1 130 ? 42.496 7.511 28.460 1.00 45.75 ? 350 THR A CG2 1 ATOM 913 N N . LEU A 1 131 ? 40.269 10.086 31.285 1.00 35.77 ? 351 LEU A N 1 ATOM 914 C CA . LEU A 1 131 ? 39.789 10.667 32.518 1.00 35.93 ? 351 LEU A CA 1 ATOM 915 C C . LEU A 1 131 ? 39.132 9.566 33.333 1.00 38.63 ? 351 LEU A C 1 ATOM 916 O O . LEU A 1 131 ? 38.260 8.864 32.810 1.00 39.73 ? 351 LEU A O 1 ATOM 917 C CB . LEU A 1 131 ? 38.805 11.797 32.228 1.00 32.07 ? 351 LEU A CB 1 ATOM 918 C CG . LEU A 1 131 ? 39.261 12.872 31.245 1.00 38.97 ? 351 LEU A CG 1 ATOM 919 C CD1 . LEU A 1 131 ? 38.093 13.767 30.872 1.00 44.13 ? 351 LEU A CD1 1 ATOM 920 C CD2 . LEU A 1 131 ? 40.411 13.696 31.798 1.00 36.05 ? 351 LEU A CD2 1 ATOM 921 N N . PRO A 1 132 ? 39.566 9.397 34.605 1.00 38.89 ? 352 PRO A N 1 ATOM 922 C CA . PRO A 1 132 ? 38.985 8.395 35.501 1.00 37.23 ? 352 PRO A CA 1 ATOM 923 C C . PRO A 1 132 ? 37.610 8.827 35.979 1.00 46.55 ? 352 PRO A C 1 ATOM 924 O O . PRO A 1 132 ? 37.310 10.034 35.986 1.00 45.07 ? 352 PRO A O 1 ATOM 925 C CB . PRO A 1 132 ? 39.940 8.397 36.692 1.00 30.84 ? 352 PRO A CB 1 ATOM 926 C CG . PRO A 1 132 ? 40.526 9.779 36.713 1.00 28.08 ? 352 PRO A CG 1 ATOM 927 C CD . PRO A 1 132 ? 40.637 10.175 35.267 1.00 33.78 ? 352 PRO A CD 1 ATOM 928 N N . PRO A 1 133 ? 36.785 7.853 36.405 1.00 54.30 ? 353 PRO A N 1 ATOM 929 C CA . PRO A 1 133 ? 35.463 8.131 36.949 1.00 47.62 ? 353 PRO A CA 1 ATOM 930 C C . PRO A 1 133 ? 35.536 9.000 38.199 1.00 47.50 ? 353 PRO A C 1 ATOM 931 O O . PRO A 1 133 ? 36.546 8.982 38.913 1.00 48.73 ? 353 PRO A O 1 ATOM 932 C CB . PRO A 1 133 ? 34.926 6.739 37.303 1.00 51.11 ? 353 PRO A CB 1 ATOM 933 C CG . PRO A 1 133 ? 36.135 5.888 37.482 1.00 51.72 ? 353 PRO A CG 1 ATOM 934 C CD . PRO A 1 133 ? 37.121 6.418 36.484 1.00 59.44 ? 353 PRO A CD 1 ATOM 935 N N . SER A 1 134 ? 34.466 9.755 38.442 1.00 48.91 ? 354 SER A N 1 ATOM 936 C CA . SER A 1 134 ? 34.329 10.605 39.620 1.00 47.79 ? 354 SER A CA 1 ATOM 937 C C . SER A 1 134 ? 34.360 9.732 40.869 1.00 48.64 ? 354 SER A C 1 ATOM 938 O O . SER A 1 134 ? 33.886 8.586 40.838 1.00 48.72 ? 354 SER A O 1 ATOM 939 C CB . SER A 1 134 ? 32.992 11.352 39.554 1.00 49.29 ? 354 SER A CB 1 ATOM 940 O OG . SER A 1 134 ? 32.995 12.536 40.341 1.00 43.13 ? 354 SER A OG 1 ATOM 941 N N . ARG A 1 135 ? 34.924 10.266 41.957 1.00 47.44 ? 355 ARG A N 1 ATOM 942 C CA . ARG A 1 135 ? 34.805 9.624 43.276 1.00 53.30 ? 355 ARG A CA 1 ATOM 943 C C . ARG A 1 135 ? 33.321 9.432 43.597 1.00 60.32 ? 355 ARG A C 1 ATOM 944 O O . ARG A 1 135 ? 32.904 8.354 44.028 1.00 54.36 ? 355 ARG A O 1 ATOM 945 C CB . ARG A 1 135 ? 35.503 10.444 44.368 1.00 45.79 ? 355 ARG A CB 1 ATOM 946 N N . LYS A 1 136 ? 32.527 10.471 43.321 1.00 59.19 ? 356 LYS A N 1 ATOM 947 C CA . LYS A 1 136 ? 31.078 10.444 43.531 1.00 51.19 ? 356 LYS A CA 1 ATOM 948 C C . LYS A 1 136 ? 30.361 9.350 42.724 1.00 56.54 ? 356 LYS A C 1 ATOM 949 O O . LYS A 1 136 ? 29.155 9.137 42.908 1.00 65.27 ? 356 LYS A O 1 ATOM 950 C CB . LYS A 1 136 ? 30.445 11.818 43.232 1.00 50.33 ? 356 LYS A CB 1 ATOM 951 C CG . LYS A 1 136 ? 31.129 13.034 43.867 1.00 47.11 ? 356 LYS A CG 1 ATOM 952 C CD . LYS A 1 136 ? 30.652 13.319 45.287 1.00 43.64 ? 356 LYS A CD 1 ATOM 953 N N . GLU A 1 137 ? 31.082 8.655 41.842 1.00 46.98 ? 357 GLU A N 1 ATOM 954 C CA . GLU A 1 137 ? 30.447 7.599 41.038 1.00 48.29 ? 357 GLU A CA 1 ATOM 955 C C . GLU A 1 137 ? 30.677 6.224 41.636 1.00 55.12 ? 357 GLU A C 1 ATOM 956 O O . GLU A 1 137 ? 30.020 5.253 41.244 1.00 57.58 ? 357 GLU A O 1 ATOM 957 C CB . GLU A 1 137 ? 30.882 7.641 39.557 1.00 48.53 ? 357 GLU A CB 1 ATOM 958 C CG . GLU A 1 137 ? 29.967 6.840 38.629 1.00 41.94 ? 357 GLU A CG 1 ATOM 959 C CD . GLU A 1 137 ? 30.392 6.809 37.160 1.00 48.15 ? 357 GLU A CD 1 ATOM 960 O OE1 . GLU A 1 137 ? 31.499 7.287 36.804 1.00 45.58 ? 357 GLU A OE1 1 ATOM 961 O OE2 . GLU A 1 137 ? 29.596 6.282 36.348 1.00 46.50 ? 357 GLU A OE2 1 ATOM 962 N N . MET A 1 138 ? 31.589 6.150 42.606 1.00 67.44 ? 358 MET A N 1 ATOM 963 C CA . MET A 1 138 ? 31.974 4.872 43.227 1.00 67.73 ? 358 MET A CA 1 ATOM 964 C C . MET A 1 138 ? 30.843 4.195 44.001 1.00 68.16 ? 358 MET A C 1 ATOM 965 O O . MET A 1 138 ? 30.955 3.035 44.394 1.00 78.19 ? 358 MET A O 1 ATOM 966 C CB . MET A 1 138 ? 33.210 5.052 44.108 1.00 69.64 ? 358 MET A CB 1 ATOM 967 C CG . MET A 1 138 ? 34.430 5.569 43.355 1.00 77.14 ? 358 MET A CG 1 ATOM 968 S SD . MET A 1 138 ? 34.888 4.588 41.906 1.00 78.37 ? 358 MET A SD 1 ATOM 969 C CE . MET A 1 138 ? 36.255 5.580 41.301 1.00 72.46 ? 358 MET A CE 1 ATOM 970 N N . THR A 1 139 ? 29.755 4.933 44.197 1.00 76.31 ? 359 THR A N 1 ATOM 971 C CA . THR A 1 139 ? 28.511 4.413 44.759 1.00 65.96 ? 359 THR A CA 1 ATOM 972 C C . THR A 1 139 ? 27.866 3.327 43.892 1.00 65.73 ? 359 THR A C 1 ATOM 973 O O . THR A 1 139 ? 27.399 2.324 44.418 1.00 74.09 ? 359 THR A O 1 ATOM 974 C CB . THR A 1 139 ? 27.507 5.564 44.970 1.00 63.98 ? 359 THR A CB 1 ATOM 975 O OG1 . THR A 1 139 ? 28.014 6.447 45.977 1.00 67.51 ? 359 THR A OG1 1 ATOM 976 C CG2 . THR A 1 139 ? 26.128 5.049 45.383 1.00 64.80 ? 359 THR A CG2 1 ATOM 977 N N . LYS A 1 140 ? 27.842 3.528 42.574 1.00 66.48 ? 360 LYS A N 1 ATOM 978 C CA . LYS A 1 140 ? 27.072 2.656 41.673 1.00 70.23 ? 360 LYS A CA 1 ATOM 979 C C . LYS A 1 140 ? 27.826 1.372 41.312 1.00 67.56 ? 360 LYS A C 1 ATOM 980 O O . LYS A 1 140 ? 29.023 1.270 41.567 1.00 64.00 ? 360 LYS A O 1 ATOM 981 C CB . LYS A 1 140 ? 26.637 3.425 40.415 1.00 61.61 ? 360 LYS A CB 1 ATOM 982 C CG . LYS A 1 140 ? 25.730 4.621 40.696 1.00 56.27 ? 360 LYS A CG 1 ATOM 983 N N . ASN A 1 141 ? 27.118 0.393 40.744 1.00 73.41 ? 361 ASN A N 1 ATOM 984 C CA . ASN A 1 141 ? 27.737 -0.870 40.310 1.00 69.82 ? 361 ASN A CA 1 ATOM 985 C C . ASN A 1 141 ? 28.728 -0.650 39.177 1.00 70.48 ? 361 ASN A C 1 ATOM 986 O O . ASN A 1 141 ? 29.733 -1.354 39.080 1.00 83.18 ? 361 ASN A O 1 ATOM 987 C CB . ASN A 1 141 ? 26.688 -1.889 39.831 1.00 80.75 ? 361 ASN A CB 1 ATOM 988 C CG . ASN A 1 141 ? 25.660 -2.245 40.895 1.00 92.29 ? 361 ASN A CG 1 ATOM 989 O OD1 . ASN A 1 141 ? 25.943 -2.239 42.099 1.00 90.75 ? 361 ASN A OD1 1 ATOM 990 N ND2 . ASN A 1 141 ? 24.451 -2.573 40.445 1.00 77.49 ? 361 ASN A ND2 1 ATOM 991 N N . GLN A 1 142 ? 28.429 0.321 38.315 1.00 56.33 ? 362 GLN A N 1 ATOM 992 C CA . GLN A 1 142 ? 29.240 0.585 37.136 1.00 46.91 ? 362 GLN A CA 1 ATOM 993 C C . GLN A 1 142 ? 29.803 1.998 37.145 1.00 51.45 ? 362 GLN A C 1 ATOM 994 O O . GLN A 1 142 ? 29.110 2.944 37.525 1.00 68.02 ? 362 GLN A O 1 ATOM 995 C CB . GLN A 1 142 ? 28.432 0.349 35.868 1.00 46.23 ? 362 GLN A CB 1 ATOM 996 C CG . GLN A 1 142 ? 27.566 -0.898 35.911 1.00 57.59 ? 362 GLN A CG 1 ATOM 997 C CD . GLN A 1 142 ? 27.633 -1.678 34.621 1.00 77.46 ? 362 GLN A CD 1 ATOM 998 O OE1 . GLN A 1 142 ? 26.723 -1.618 33.792 1.00 78.98 ? 362 GLN A OE1 1 ATOM 999 N NE2 . GLN A 1 142 ? 28.729 -2.408 34.432 1.00 95.34 ? 362 GLN A NE2 1 ATOM 1000 N N . VAL A 1 143 ? 31.064 2.131 36.738 1.00 40.59 ? 363 VAL A N 1 ATOM 1001 C CA . VAL A 1 143 ? 31.700 3.441 36.623 1.00 43.24 ? 363 VAL A CA 1 ATOM 1002 C C . VAL A 1 143 ? 32.018 3.773 35.160 1.00 39.18 ? 363 VAL A C 1 ATOM 1003 O O . VAL A 1 143 ? 32.077 2.883 34.309 1.00 47.10 ? 363 VAL A O 1 ATOM 1004 C CB . VAL A 1 143 ? 32.981 3.569 37.496 1.00 40.85 ? 363 VAL A CB 1 ATOM 1005 C CG1 . VAL A 1 143 ? 32.637 3.544 38.980 1.00 40.60 ? 363 VAL A CG1 1 ATOM 1006 C CG2 . VAL A 1 143 ? 33.993 2.487 37.140 1.00 38.59 ? 363 VAL A CG2 1 ATOM 1007 N N . SER A 1 144 ? 32.233 5.056 34.891 1.00 35.50 ? 364 SER A N 1 ATOM 1008 C CA . SER A 1 144 ? 32.449 5.546 33.534 1.00 42.30 ? 364 SER A CA 1 ATOM 1009 C C . SER A 1 144 ? 33.906 5.919 33.292 1.00 43.24 ? 364 SER A C 1 ATOM 1010 O O . SER A 1 144 ? 34.489 6.706 34.044 1.00 37.28 ? 364 SER A O 1 ATOM 1011 C CB . SER A 1 144 ? 31.566 6.774 33.254 1.00 38.81 ? 364 SER A CB 1 ATOM 1012 O OG . SER A 1 144 ? 30.206 6.538 33.561 1.00 43.56 ? 364 SER A OG 1 ATOM 1013 N N . LEU A 1 145 ? 34.491 5.366 32.232 1.00 40.99 ? 365 LEU A N 1 ATOM 1014 C CA . LEU A 1 145 ? 35.835 5.774 31.836 1.00 42.26 ? 365 LEU A CA 1 ATOM 1015 C C . LEU A 1 145 ? 35.730 6.637 30.588 1.00 45.84 ? 365 LEU A C 1 ATOM 1016 O O . LEU A 1 145 ? 35.047 6.265 29.622 1.00 44.88 ? 365 LEU A O 1 ATOM 1017 C CB . LEU A 1 145 ? 36.756 4.564 31.620 1.00 45.69 ? 365 LEU A CB 1 ATOM 1018 C CG . LEU A 1 145 ? 36.878 3.545 32.761 1.00 42.70 ? 365 LEU A CG 1 ATOM 1019 C CD1 . LEU A 1 145 ? 38.088 2.655 32.549 1.00 39.46 ? 365 LEU A CD1 1 ATOM 1020 C CD2 . LEU A 1 145 ? 36.971 4.235 34.111 1.00 49.03 ? 365 LEU A CD2 1 ATOM 1021 N N . THR A 1 146 ? 36.406 7.785 30.624 1.00 39.01 ? 366 THR A N 1 ATOM 1022 C CA . THR A 1 146 ? 36.190 8.854 29.657 1.00 38.34 ? 366 THR A CA 1 ATOM 1023 C C . THR A 1 146 ? 37.452 9.159 28.862 1.00 40.92 ? 366 THR A C 1 ATOM 1024 O O . THR A 1 146 ? 38.527 9.400 29.436 1.00 35.19 ? 366 THR A O 1 ATOM 1025 C CB . THR A 1 146 ? 35.683 10.141 30.362 1.00 38.56 ? 366 THR A CB 1 ATOM 1026 O OG1 . THR A 1 146 ? 34.395 9.891 30.930 1.00 47.16 ? 366 THR A OG1 1 ATOM 1027 C CG2 . THR A 1 146 ? 35.574 11.312 29.393 1.00 32.63 ? 366 THR A CG2 1 ATOM 1028 N N . CYS A 1 147 ? 37.295 9.152 27.539 1.00 33.90 ? 367 CYS A N 1 ATOM 1029 C CA . CYS A 1 147 ? 38.342 9.536 26.617 1.00 30.14 ? 367 CYS A CA 1 ATOM 1030 C C . CYS A 1 147 ? 37.938 10.805 25.902 1.00 30.20 ? 367 CYS A C 1 ATOM 1031 O O . CYS A 1 147 ? 36.967 10.816 25.146 1.00 41.83 ? 367 CYS A O 1 ATOM 1032 C CB . CYS A 1 147 ? 38.547 8.434 25.591 1.00 33.36 ? 367 CYS A CB 1 ATOM 1033 S SG . CYS A 1 147 ? 40.064 8.582 24.625 1.00 40.29 ? 367 CYS A SG 1 ATOM 1034 N N . LEU A 1 148 ? 38.686 11.871 26.146 1.00 29.42 ? 368 LEU A N 1 ATOM 1035 C CA . LEU A 1 148 ? 38.469 13.169 25.510 1.00 29.29 ? 368 LEU A CA 1 ATOM 1036 C C . LEU A 1 148 ? 39.417 13.342 24.329 1.00 34.34 ? 368 LEU A C 1 ATOM 1037 O O . LEU A 1 148 ? 40.634 13.375 24.508 1.00 39.45 ? 368 LEU A O 1 ATOM 1038 C CB . LEU A 1 148 ? 38.698 14.304 26.521 1.00 26.00 ? 368 LEU A CB 1 ATOM 1039 C CG . LEU A 1 148 ? 38.765 15.753 26.020 1.00 31.25 ? 368 LEU A CG 1 ATOM 1040 C CD1 . LEU A 1 148 ? 37.491 16.166 25.281 1.00 29.97 ? 368 LEU A CD1 1 ATOM 1041 C CD2 . LEU A 1 148 ? 39.046 16.711 27.173 1.00 23.86 ? 368 LEU A CD2 1 ATOM 1042 N N . VAL A 1 149 ? 38.857 13.461 23.130 1.00 33.30 ? 369 VAL A N 1 ATOM 1043 C CA . VAL A 1 149 ? 39.654 13.643 21.921 1.00 29.78 ? 369 VAL A CA 1 ATOM 1044 C C . VAL A 1 149 ? 39.336 15.013 21.348 1.00 30.51 ? 369 VAL A C 1 ATOM 1045 O O . VAL A 1 149 ? 38.226 15.254 20.911 1.00 37.26 ? 369 VAL A O 1 ATOM 1046 C CB . VAL A 1 149 ? 39.335 12.561 20.875 1.00 33.85 ? 369 VAL A CB 1 ATOM 1047 C CG1 . VAL A 1 149 ? 40.300 12.660 19.708 1.00 30.11 ? 369 VAL A CG1 1 ATOM 1048 C CG2 . VAL A 1 149 ? 39.358 11.157 21.495 1.00 31.20 ? 369 VAL A CG2 1 ATOM 1049 N N . LYS A 1 150 ? 40.299 15.925 21.354 1.00 32.88 ? 370 LYS A N 1 ATOM 1050 C CA . LYS A 1 150 ? 39.988 17.300 20.961 1.00 29.06 ? 370 LYS A CA 1 ATOM 1051 C C . LYS A 1 150 ? 41.020 17.945 20.059 1.00 24.96 ? 370 LYS A C 1 ATOM 1052 O O . LYS A 1 150 ? 42.131 17.466 19.934 1.00 27.28 ? 370 LYS A O 1 ATOM 1053 C CB . LYS A 1 150 ? 39.691 18.182 22.188 1.00 30.18 ? 370 LYS A CB 1 ATOM 1054 C CG . LYS A 1 150 ? 40.855 18.445 23.123 1.00 31.05 ? 370 LYS A CG 1 ATOM 1055 C CD . LYS A 1 150 ? 40.473 19.432 24.222 1.00 36.63 ? 370 LYS A CD 1 ATOM 1056 C CE . LYS A 1 150 ? 40.361 20.859 23.694 1.00 48.55 ? 370 LYS A CE 1 ATOM 1057 N NZ . LYS A 1 150 ? 39.546 21.768 24.554 1.00 53.98 ? 370 LYS A NZ 1 ATOM 1058 N N . GLY A 1 151 ? 40.617 19.031 19.416 1.00 27.12 ? 371 GLY A N 1 ATOM 1059 C CA . GLY A 1 151 ? 41.472 19.761 18.491 1.00 27.59 ? 371 GLY A CA 1 ATOM 1060 C C . GLY A 1 151 ? 41.835 19.023 17.211 1.00 29.78 ? 371 GLY A C 1 ATOM 1061 O O . GLY A 1 151 ? 42.830 19.375 16.590 1.00 36.17 ? 371 GLY A O 1 ATOM 1062 N N . PHE A 1 152 ? 41.066 18.001 16.811 1.00 25.34 ? 372 PHE A N 1 ATOM 1063 C CA . PHE A 1 152 ? 41.345 17.316 15.537 1.00 23.90 ? 372 PHE A CA 1 ATOM 1064 C C . PHE A 1 152 ? 40.674 17.949 14.315 1.00 27.99 ? 372 PHE A C 1 ATOM 1065 O O . PHE A 1 152 ? 39.700 18.685 14.439 1.00 35.10 ? 372 PHE A O 1 ATOM 1066 C CB . PHE A 1 152 ? 41.119 15.801 15.602 1.00 27.74 ? 372 PHE A CB 1 ATOM 1067 C CG . PHE A 1 152 ? 39.712 15.366 15.963 1.00 31.16 ? 372 PHE A CG 1 ATOM 1068 C CD1 . PHE A 1 152 ? 39.322 15.244 17.294 1.00 30.03 ? 372 PHE A CD1 1 ATOM 1069 C CD2 . PHE A 1 152 ? 38.817 14.985 14.975 1.00 30.01 ? 372 PHE A CD2 1 ATOM 1070 C CE1 . PHE A 1 152 ? 38.058 14.807 17.632 1.00 29.58 ? 372 PHE A CE1 1 ATOM 1071 C CE2 . PHE A 1 152 ? 37.547 14.538 15.303 1.00 37.32 ? 372 PHE A CE2 1 ATOM 1072 C CZ . PHE A 1 152 ? 37.164 14.455 16.635 1.00 36.50 ? 372 PHE A CZ 1 ATOM 1073 N N . TYR A 1 153 ? 41.258 17.693 13.150 1.00 28.06 ? 373 TYR A N 1 ATOM 1074 C CA . TYR A 1 153 ? 40.722 18.081 11.850 1.00 29.75 ? 373 TYR A CA 1 ATOM 1075 C C . TYR A 1 153 ? 41.483 17.315 10.779 1.00 30.62 ? 373 TYR A C 1 ATOM 1076 O O . TYR A 1 153 ? 42.695 17.205 10.863 1.00 35.99 ? 373 TYR A O 1 ATOM 1077 C CB . TYR A 1 153 ? 40.854 19.581 11.572 1.00 32.50 ? 373 TYR A CB 1 ATOM 1078 C CG . TYR A 1 153 ? 40.103 19.968 10.314 1.00 39.32 ? 373 TYR A CG 1 ATOM 1079 C CD1 . TYR A 1 153 ? 40.658 19.754 9.039 1.00 39.10 ? 373 TYR A CD1 1 ATOM 1080 C CD2 . TYR A 1 153 ? 38.819 20.502 10.391 1.00 39.33 ? 373 TYR A CD2 1 ATOM 1081 C CE1 . TYR A 1 153 ? 39.957 20.075 7.884 1.00 35.24 ? 373 TYR A CE1 1 ATOM 1082 C CE2 . TYR A 1 153 ? 38.112 20.831 9.241 1.00 41.61 ? 373 TYR A CE2 1 ATOM 1083 C CZ . TYR A 1 153 ? 38.685 20.611 7.998 1.00 38.49 ? 373 TYR A CZ 1 ATOM 1084 O OH . TYR A 1 153 ? 37.977 20.930 6.876 1.00 33.61 ? 373 TYR A OH 1 ATOM 1085 N N . PRO A 1 154 ? 40.779 16.757 9.779 1.00 35.80 ? 374 PRO A N 1 ATOM 1086 C CA . PRO A 1 154 ? 39.316 16.738 9.612 1.00 34.51 ? 374 PRO A CA 1 ATOM 1087 C C . PRO A 1 154 ? 38.638 15.878 10.664 1.00 31.67 ? 374 PRO A C 1 ATOM 1088 O O . PRO A 1 154 ? 39.312 15.304 11.524 1.00 31.52 ? 374 PRO A O 1 ATOM 1089 C CB . PRO A 1 154 ? 39.130 16.122 8.227 1.00 29.06 ? 374 PRO A CB 1 ATOM 1090 C CG . PRO A 1 154 ? 40.335 15.290 8.027 1.00 29.71 ? 374 PRO A CG 1 ATOM 1091 C CD . PRO A 1 154 ? 41.460 16.002 8.714 1.00 28.53 ? 374 PRO A CD 1 ATOM 1092 N N . SER A 1 155 ? 37.318 15.786 10.576 1.00 29.89 ? 375 SER A N 1 ATOM 1093 C CA . SER A 1 155 ? 36.516 15.080 11.562 1.00 30.49 ? 375 SER A CA 1 ATOM 1094 C C . SER A 1 155 ? 36.543 13.571 11.376 1.00 28.81 ? 375 SER A C 1 ATOM 1095 O O . SER A 1 155 ? 36.027 12.843 12.220 1.00 38.85 ? 375 SER A O 1 ATOM 1096 C CB . SER A 1 155 ? 35.064 15.585 11.519 1.00 36.50 ? 375 SER A CB 1 ATOM 1097 O OG . SER A 1 155 ? 34.355 15.020 10.422 1.00 37.55 ? 375 SER A OG 1 ATOM 1098 N N . ASP A 1 156 ? 37.123 13.097 10.279 1.00 29.64 ? 376 ASP A N 1 ATOM 1099 C CA . ASP A 1 156 ? 37.276 11.647 10.063 1.00 33.22 ? 376 ASP A CA 1 ATOM 1100 C C . ASP A 1 156 ? 38.152 11.022 11.133 1.00 29.56 ? 376 ASP A C 1 ATOM 1101 O O . ASP A 1 156 ? 39.367 11.218 11.159 1.00 38.47 ? 376 ASP A O 1 ATOM 1102 C CB . ASP A 1 156 ? 37.846 11.342 8.679 1.00 41.53 ? 376 ASP A CB 1 ATOM 1103 C CG . ASP A 1 156 ? 36.837 11.577 7.562 1.00 63.10 ? 376 ASP A CG 1 ATOM 1104 O OD1 . ASP A 1 156 ? 36.206 12.667 7.524 1.00 47.67 ? 376 ASP A OD1 1 ATOM 1105 O OD2 . ASP A 1 156 ? 36.687 10.664 6.713 1.00 72.30 ? 376 ASP A OD2 1 ATOM 1106 N N . ILE A 1 157 ? 37.514 10.268 12.015 1.00 24.95 ? 377 ILE A N 1 ATOM 1107 C CA . ILE A 1 157 ? 38.172 9.682 13.161 1.00 26.65 ? 377 ILE A CA 1 ATOM 1108 C C . ILE A 1 157 ? 37.528 8.332 13.512 1.00 27.90 ? 377 ILE A C 1 ATOM 1109 O O . ILE A 1 157 ? 36.396 8.055 13.127 1.00 27.78 ? 377 ILE A O 1 ATOM 1110 C CB . ILE A 1 157 ? 38.100 10.651 14.361 1.00 26.35 ? 377 ILE A CB 1 ATOM 1111 C CG1 . ILE A 1 157 ? 39.284 10.432 15.313 1.00 22.16 ? 377 ILE A CG1 1 ATOM 1112 C CG2 . ILE A 1 157 ? 36.751 10.535 15.066 1.00 26.34 ? 377 ILE A CG2 1 ATOM 1113 C CD1 . ILE A 1 157 ? 39.478 11.538 16.319 1.00 17.38 ? 377 ILE A CD1 1 ATOM 1114 N N . ALA A 1 158 ? 38.267 7.482 14.213 1.00 27.30 ? 378 ALA A N 1 ATOM 1115 C CA . ALA A 1 158 ? 37.702 6.264 14.793 1.00 26.42 ? 378 ALA A CA 1 ATOM 1116 C C . ALA A 1 158 ? 38.242 6.141 16.216 1.00 31.84 ? 378 ALA A C 1 ATOM 1117 O O . ALA A 1 158 ? 39.422 6.426 16.473 1.00 30.80 ? 378 ALA A O 1 ATOM 1118 C CB . ALA A 1 158 ? 38.069 5.050 13.967 1.00 24.05 ? 378 ALA A CB 1 ATOM 1119 N N . VAL A 1 159 ? 37.382 5.739 17.145 1.00 30.25 ? 379 VAL A N 1 ATOM 1120 C CA . VAL A 1 159 ? 37.768 5.701 18.541 1.00 30.83 ? 379 VAL A CA 1 ATOM 1121 C C . VAL A 1 159 ? 37.171 4.495 19.213 1.00 36.30 ? 379 VAL A C 1 ATOM 1122 O O . VAL A 1 159 ? 35.953 4.349 19.253 1.00 56.31 ? 379 VAL A O 1 ATOM 1123 C CB . VAL A 1 159 ? 37.329 6.966 19.275 1.00 34.75 ? 379 VAL A CB 1 ATOM 1124 C CG1 . VAL A 1 159 ? 37.773 6.903 20.726 1.00 40.33 ? 379 VAL A CG1 1 ATOM 1125 C CG2 . VAL A 1 159 ? 37.893 8.198 18.586 1.00 29.56 ? 379 VAL A CG2 1 ATOM 1126 N N . GLU A 1 160 ? 38.036 3.626 19.735 1.00 38.77 ? 380 GLU A N 1 ATOM 1127 C CA . GLU A 1 160 ? 37.598 2.373 20.343 1.00 32.37 ? 380 GLU A CA 1 ATOM 1128 C C . GLU A 1 160 ? 38.294 2.111 21.663 1.00 34.43 ? 380 GLU A C 1 ATOM 1129 O O . GLU A 1 160 ? 39.299 2.747 21.980 1.00 38.59 ? 380 GLU A O 1 ATOM 1130 C CB . GLU A 1 160 ? 37.807 1.209 19.384 1.00 37.51 ? 380 GLU A CB 1 ATOM 1131 C CG . GLU A 1 160 ? 37.069 1.362 18.059 1.00 43.55 ? 380 GLU A CG 1 ATOM 1132 C CD . GLU A 1 160 ? 37.470 0.323 17.021 1.00 52.57 ? 380 GLU A CD 1 ATOM 1133 O OE1 . GLU A 1 160 ? 37.752 -0.845 17.389 1.00 52.92 ? 380 GLU A OE1 1 ATOM 1134 O OE2 . GLU A 1 160 ? 37.484 0.680 15.822 1.00 54.26 ? 380 GLU A OE2 1 ATOM 1135 N N . TRP A 1 161 ? 37.734 1.184 22.437 1.00 38.31 ? 381 TRP A N 1 ATOM 1136 C CA . TRP A 1 161 ? 38.247 0.832 23.757 1.00 40.59 ? 381 TRP A CA 1 ATOM 1137 C C . TRP A 1 161 ? 38.720 -0.589 23.809 1.00 50.05 ? 381 TRP A C 1 ATOM 1138 O O . TRP A 1 161 ? 38.191 -1.460 23.107 1.00 57.71 ? 381 TRP A O 1 ATOM 1139 C CB . TRP A 1 161 ? 37.170 1.014 24.795 1.00 39.46 ? 381 TRP A CB 1 ATOM 1140 C CG . TRP A 1 161 ? 36.908 2.443 25.160 1.00 42.40 ? 381 TRP A CG 1 ATOM 1141 C CD1 . TRP A 1 161 ? 35.958 3.303 24.612 1.00 46.57 ? 381 TRP A CD1 1 ATOM 1142 C CD2 . TRP A 1 161 ? 37.574 3.225 26.206 1.00 44.86 ? 381 TRP A CD2 1 ATOM 1143 N NE1 . TRP A 1 161 ? 35.997 4.535 25.224 1.00 49.41 ? 381 TRP A NE1 1 ATOM 1144 C CE2 . TRP A 1 161 ? 36.942 4.556 26.190 1.00 49.06 ? 381 TRP A CE2 1 ATOM 1145 C CE3 . TRP A 1 161 ? 38.594 2.973 27.115 1.00 41.06 ? 381 TRP A CE3 1 ATOM 1146 C CZ2 . TRP A 1 161 ? 37.333 5.566 27.058 1.00 52.65 ? 381 TRP A CZ2 1 ATOM 1147 C CZ3 . TRP A 1 161 ? 38.985 4.005 27.982 1.00 49.62 ? 381 TRP A CZ3 1 ATOM 1148 C CH2 . TRP A 1 161 ? 38.368 5.269 27.955 1.00 52.05 ? 381 TRP A CH2 1 ATOM 1149 N N . GLU A 1 162 ? 39.719 -0.832 24.654 1.00 54.00 ? 382 GLU A N 1 ATOM 1150 C CA . GLU A 1 162 ? 40.306 -2.164 24.803 1.00 54.69 ? 382 GLU A CA 1 ATOM 1151 C C . GLU A 1 162 ? 40.988 -2.388 26.161 1.00 50.36 ? 382 GLU A C 1 ATOM 1152 O O . GLU A 1 162 ? 41.460 -1.449 26.815 1.00 44.98 ? 382 GLU A O 1 ATOM 1153 C CB . GLU A 1 162 ? 41.286 -2.464 23.656 1.00 51.72 ? 382 GLU A CB 1 ATOM 1154 C CG . GLU A 1 162 ? 42.378 -1.419 23.468 1.00 61.66 ? 382 GLU A CG 1 ATOM 1155 C CD . GLU A 1 162 ? 43.383 -1.815 22.407 1.00 69.00 ? 382 GLU A CD 1 ATOM 1156 O OE1 . GLU A 1 162 ? 44.334 -2.558 22.732 1.00 63.35 ? 382 GLU A OE1 1 ATOM 1157 O OE2 . GLU A 1 162 ? 43.219 -1.377 21.248 1.00 79.66 ? 382 GLU A OE2 1 ATOM 1158 N N . SER A 1 163 ? 41.031 -3.650 26.566 1.00 48.85 ? 383 SER A N 1 ATOM 1159 C CA . SER A 1 163 ? 41.741 -4.051 27.762 1.00 48.51 ? 383 SER A CA 1 ATOM 1160 C C . SER A 1 163 ? 42.427 -5.374 27.501 1.00 51.01 ? 383 SER A C 1 ATOM 1161 O O . SER A 1 163 ? 41.822 -6.278 26.916 1.00 52.50 ? 383 SER A O 1 ATOM 1162 C CB . SER A 1 163 ? 40.781 -4.199 28.930 1.00 43.88 ? 383 SER A CB 1 ATOM 1163 O OG . SER A 1 163 ? 41.447 -3.813 30.111 1.00 46.85 ? 383 SER A OG 1 ATOM 1164 N N . ASN A 1 164 ? 43.681 -5.489 27.943 1.00 47.29 ? 384 ASN A N 1 ATOM 1165 C CA . ASN A 1 164 ? 44.505 -6.673 27.663 1.00 51.86 ? 384 ASN A CA 1 ATOM 1166 C C . ASN A 1 164 ? 44.359 -7.142 26.205 1.00 45.35 ? 384 ASN A C 1 ATOM 1167 O O . ASN A 1 164 ? 44.038 -8.299 25.957 1.00 41.69 ? 384 ASN A O 1 ATOM 1168 C CB . ASN A 1 164 ? 44.184 -7.832 28.634 1.00 56.90 ? 384 ASN A CB 1 ATOM 1169 C CG . ASN A 1 164 ? 43.937 -7.365 30.069 1.00 68.33 ? 384 ASN A CG 1 ATOM 1170 O OD1 . ASN A 1 164 ? 44.771 -6.682 30.680 1.00 54.50 ? 384 ASN A OD1 1 ATOM 1171 N ND2 . ASN A 1 164 ? 42.788 -7.752 30.622 1.00 58.23 ? 384 ASN A ND2 1 ATOM 1172 N N . GLY A 1 165 ? 44.563 -6.227 25.253 1.00 48.92 ? 385 GLY A N 1 ATOM 1173 C CA . GLY A 1 165 ? 44.491 -6.535 23.810 1.00 45.12 ? 385 GLY A CA 1 ATOM 1174 C C . GLY A 1 165 ? 43.135 -6.941 23.240 1.00 62.66 ? 385 GLY A C 1 ATOM 1175 O O . GLY A 1 165 ? 43.064 -7.423 22.107 1.00 72.69 ? 385 GLY A O 1 ATOM 1176 N N . GLN A 1 166 ? 42.062 -6.747 24.010 1.00 55.97 ? 386 GLN A N 1 ATOM 1177 C CA . GLN A 1 166 ? 40.712 -7.110 23.574 1.00 56.33 ? 386 GLN A CA 1 ATOM 1178 C C . GLN A 1 166 ? 39.743 -5.925 23.578 1.00 61.44 ? 386 GLN A C 1 ATOM 1179 O O . GLN A 1 166 ? 39.780 -5.113 24.508 1.00 58.00 ? 386 GLN A O 1 ATOM 1180 C CB . GLN A 1 166 ? 40.146 -8.245 24.439 1.00 58.68 ? 386 GLN A CB 1 ATOM 1181 C CG . GLN A 1 166 ? 40.850 -9.579 24.245 1.00 77.19 ? 386 GLN A CG 1 ATOM 1182 C CD . GLN A 1 166 ? 41.120 -9.892 22.782 1.00 95.63 ? 386 GLN A CD 1 ATOM 1183 O OE1 . GLN A 1 166 ? 42.256 -10.170 22.392 1.00 94.83 ? 386 GLN A OE1 1 ATOM 1184 N NE2 . GLN A 1 166 ? 40.075 -9.835 21.960 1.00 102.83 ? 386 GLN A NE2 1 ATOM 1185 N N . PRO A 1 167 ? 38.865 -5.832 22.544 1.00 54.02 ? 387 PRO A N 1 ATOM 1186 C CA . PRO A 1 167 ? 37.860 -4.766 22.472 1.00 49.10 ? 387 PRO A CA 1 ATOM 1187 C C . PRO A 1 167 ? 36.899 -4.848 23.647 1.00 45.24 ? 387 PRO A C 1 ATOM 1188 O O . PRO A 1 167 ? 36.445 -5.935 23.992 1.00 48.35 ? 387 PRO A O 1 ATOM 1189 C CB . PRO A 1 167 ? 37.120 -5.065 21.163 1.00 46.48 ? 387 PRO A CB 1 ATOM 1190 C CG . PRO A 1 167 ? 37.348 -6.523 20.926 1.00 41.81 ? 387 PRO A CG 1 ATOM 1191 C CD . PRO A 1 167 ? 38.741 -6.765 21.407 1.00 45.28 ? 387 PRO A CD 1 ATOM 1192 N N . GLU A 1 168 ? 36.613 -3.716 24.278 1.00 48.38 ? 388 GLU A N 1 ATOM 1193 C CA . GLU A 1 168 ? 35.626 -3.703 25.348 1.00 50.62 ? 388 GLU A CA 1 ATOM 1194 C C . GLU A 1 168 ? 34.214 -3.615 24.778 1.00 59.67 ? 388 GLU A C 1 ATOM 1195 O O . GLU A 1 168 ? 33.958 -2.896 23.808 1.00 50.58 ? 388 GLU A O 1 ATOM 1196 C CB . GLU A 1 168 ? 35.894 -2.576 26.346 1.00 56.45 ? 388 GLU A CB 1 ATOM 1197 C CG . GLU A 1 168 ? 36.929 -2.903 27.424 1.00 64.77 ? 388 GLU A CG 1 ATOM 1198 C CD . GLU A 1 168 ? 36.604 -4.158 28.227 1.00 70.18 ? 388 GLU A CD 1 ATOM 1199 O OE1 . GLU A 1 168 ? 35.470 -4.281 28.735 1.00 68.15 ? 388 GLU A OE1 1 ATOM 1200 O OE2 . GLU A 1 168 ? 37.491 -5.029 28.348 1.00 74.39 ? 388 GLU A OE2 1 ATOM 1201 N N . ASN A 1 169 ? 33.300 -4.356 25.393 1.00 79.86 ? 389 ASN A N 1 ATOM 1202 C CA . ASN A 1 169 ? 31.934 -4.488 24.883 1.00 92.86 ? 389 ASN A CA 1 ATOM 1203 C C . ASN A 1 169 ? 31.091 -3.213 24.958 1.00 79.61 ? 389 ASN A C 1 ATOM 1204 O O . ASN A 1 169 ? 30.412 -2.858 23.995 1.00 74.42 ? 389 ASN A O 1 ATOM 1205 C CB . ASN A 1 169 ? 31.212 -5.636 25.601 1.00 92.77 ? 389 ASN A CB 1 ATOM 1206 C CG . ASN A 1 169 ? 32.016 -6.925 25.599 1.00 100.68 ? 389 ASN A CG 1 ATOM 1207 O OD1 . ASN A 1 169 ? 32.611 -7.305 24.587 1.00 93.63 ? 389 ASN A OD1 1 ATOM 1208 N ND2 . ASN A 1 169 ? 32.039 -7.605 26.740 1.00 95.78 ? 389 ASN A ND2 1 ATOM 1209 N N . ASN A 1 170 ? 31.164 -2.520 26.091 1.00 64.39 ? 390 ASN A N 1 ATOM 1210 C CA . ASN A 1 170 ? 30.165 -1.516 26.440 1.00 55.95 ? 390 ASN A CA 1 ATOM 1211 C C . ASN A 1 170 ? 30.674 -0.071 26.457 1.00 43.28 ? 390 ASN A C 1 ATOM 1212 O O . ASN A 1 170 ? 30.973 0.483 27.519 1.00 46.88 ? 390 ASN A O 1 ATOM 1213 C CB . ASN A 1 170 ? 29.518 -1.895 27.786 1.00 50.91 ? 390 ASN A CB 1 ATOM 1214 C CG . ASN A 1 170 ? 28.170 -1.237 28.000 1.00 62.27 ? 390 ASN A CG 1 ATOM 1215 O OD1 . ASN A 1 170 ? 27.365 -1.109 27.074 1.00 68.94 ? 390 ASN A OD1 1 ATOM 1216 N ND2 . ASN A 1 170 ? 27.913 -0.820 29.232 1.00 73.12 ? 390 ASN A ND2 1 ATOM 1217 N N . TYR A 1 171 ? 30.761 0.541 25.281 1.00 39.40 ? 391 TYR A N 1 ATOM 1218 C CA . TYR A 1 171 ? 31.173 1.947 25.182 1.00 39.77 ? 391 TYR A CA 1 ATOM 1219 C C . TYR A 1 171 ? 30.388 2.686 24.112 1.00 40.31 ? 391 TYR A C 1 ATOM 1220 O O . TYR A 1 171 ? 29.889 2.076 23.169 1.00 41.27 ? 391 TYR A O 1 ATOM 1221 C CB . TYR A 1 171 ? 32.681 2.078 24.897 1.00 50.39 ? 391 TYR A CB 1 ATOM 1222 C CG . TYR A 1 171 ? 33.114 1.633 23.508 1.00 54.63 ? 391 TYR A CG 1 ATOM 1223 C CD1 . TYR A 1 171 ? 32.895 2.442 22.383 1.00 59.63 ? 391 TYR A CD1 1 ATOM 1224 C CD2 . TYR A 1 171 ? 33.755 0.414 23.319 1.00 56.78 ? 391 TYR A CD2 1 ATOM 1225 C CE1 . TYR A 1 171 ? 33.278 2.033 21.115 1.00 46.30 ? 391 TYR A CE1 1 ATOM 1226 C CE2 . TYR A 1 171 ? 34.151 0.004 22.055 1.00 60.06 ? 391 TYR A CE2 1 ATOM 1227 C CZ . TYR A 1 171 ? 33.908 0.818 20.960 1.00 51.63 ? 391 TYR A CZ 1 ATOM 1228 O OH . TYR A 1 171 ? 34.308 0.406 19.712 1.00 52.64 ? 391 TYR A OH 1 ATOM 1229 N N . LYS A 1 172 ? 30.303 4.004 24.254 1.00 39.96 ? 392 LYS A N 1 ATOM 1230 C CA . LYS A 1 172 ? 29.625 4.850 23.284 1.00 44.37 ? 392 LYS A CA 1 ATOM 1231 C C . LYS A 1 172 ? 30.440 6.107 23.067 1.00 48.72 ? 392 LYS A C 1 ATOM 1232 O O . LYS A 1 172 ? 30.949 6.703 24.032 1.00 38.81 ? 392 LYS A O 1 ATOM 1233 C CB . LYS A 1 172 ? 28.228 5.235 23.773 1.00 40.93 ? 392 LYS A CB 1 ATOM 1234 C CG . LYS A 1 172 ? 27.275 4.071 23.954 1.00 46.01 ? 392 LYS A CG 1 ATOM 1235 C CD . LYS A 1 172 ? 26.494 3.778 22.681 1.00 47.72 ? 392 LYS A CD 1 ATOM 1236 C CE . LYS A 1 172 ? 25.284 2.900 22.971 1.00 45.64 ? 392 LYS A CE 1 ATOM 1237 N NZ . LYS A 1 172 ? 24.424 2.735 21.772 1.00 49.81 ? 392 LYS A NZ 1 ATOM 1238 N N . THR A 1 173 ? 30.552 6.506 21.800 1.00 44.81 ? 393 THR A N 1 ATOM 1239 C CA . THR A 1 173 ? 31.302 7.699 21.426 1.00 48.54 ? 393 THR A CA 1 ATOM 1240 C C . THR A 1 173 ? 30.342 8.766 20.918 1.00 40.58 ? 393 THR A C 1 ATOM 1241 O O . THR A 1 173 ? 29.464 8.471 20.127 1.00 45.49 ? 393 THR A O 1 ATOM 1242 C CB . THR A 1 173 ? 32.349 7.383 20.336 1.00 50.49 ? 393 THR A CB 1 ATOM 1243 O OG1 . THR A 1 173 ? 33.027 6.156 20.648 1.00 48.99 ? 393 THR A OG1 1 ATOM 1244 C CG2 . THR A 1 173 ? 33.367 8.519 20.211 1.00 45.38 ? 393 THR A CG2 1 ATOM 1245 N N . THR A 1 174 ? 30.503 10.003 21.375 1.00 39.08 ? 394 THR A N 1 ATOM 1246 C CA . THR A 1 174 ? 29.677 11.097 20.872 1.00 40.15 ? 394 THR A CA 1 ATOM 1247 C C . THR A 1 174 ? 30.127 11.425 19.444 1.00 42.84 ? 394 THR A C 1 ATOM 1248 O O . THR A 1 174 ? 31.289 11.223 19.110 1.00 55.27 ? 394 THR A O 1 ATOM 1249 C CB . THR A 1 174 ? 29.773 12.363 21.759 1.00 39.52 ? 394 THR A CB 1 ATOM 1250 O OG1 . THR A 1 174 ? 31.001 13.049 21.497 1.00 51.06 ? 394 THR A OG1 1 ATOM 1251 C CG2 . THR A 1 174 ? 29.698 12.017 23.239 1.00 33.98 ? 394 THR A CG2 1 ATOM 1252 N N . PRO A 1 175 ? 29.214 11.911 18.589 1.00 46.37 ? 395 PRO A N 1 ATOM 1253 C CA . PRO A 1 175 ? 29.701 12.339 17.275 1.00 48.12 ? 395 PRO A CA 1 ATOM 1254 C C . PRO A 1 175 ? 30.563 13.601 17.395 1.00 40.84 ? 395 PRO A C 1 ATOM 1255 O O . PRO A 1 175 ? 30.444 14.336 18.380 1.00 39.90 ? 395 PRO A O 1 ATOM 1256 C CB . PRO A 1 175 ? 28.407 12.628 16.489 1.00 42.18 ? 395 PRO A CB 1 ATOM 1257 C CG . PRO A 1 175 ? 27.391 12.927 17.535 1.00 43.09 ? 395 PRO A CG 1 ATOM 1258 C CD . PRO A 1 175 ? 27.749 12.054 18.709 1.00 48.92 ? 395 PRO A CD 1 ATOM 1259 N N . PRO A 1 176 ? 31.443 13.842 16.412 1.00 36.33 ? 396 PRO A N 1 ATOM 1260 C CA . PRO A 1 176 ? 32.314 15.009 16.474 1.00 34.06 ? 396 PRO A CA 1 ATOM 1261 C C . PRO A 1 176 ? 31.511 16.292 16.457 1.00 37.02 ? 396 PRO A C 1 ATOM 1262 O O . PRO A 1 176 ? 30.515 16.393 15.740 1.00 45.57 ? 396 PRO A O 1 ATOM 1263 C CB . PRO A 1 176 ? 33.144 14.897 15.201 1.00 31.31 ? 396 PRO A CB 1 ATOM 1264 C CG . PRO A 1 176 ? 33.151 13.447 14.893 1.00 34.57 ? 396 PRO A CG 1 ATOM 1265 C CD . PRO A 1 176 ? 31.793 12.954 15.295 1.00 35.33 ? 396 PRO A CD 1 ATOM 1266 N N . VAL A 1 177 ? 31.942 17.249 17.260 1.00 31.15 ? 397 VAL A N 1 ATOM 1267 C CA . VAL A 1 177 ? 31.285 18.533 17.378 1.00 30.84 ? 397 VAL A CA 1 ATOM 1268 C C . VAL A 1 177 ? 32.284 19.607 16.952 1.00 38.87 ? 397 VAL A C 1 ATOM 1269 O O . VAL A 1 177 ? 33.440 19.597 17.378 1.00 35.39 ? 397 VAL A O 1 ATOM 1270 C CB . VAL A 1 177 ? 30.819 18.769 18.832 1.00 36.64 ? 397 VAL A CB 1 ATOM 1271 C CG1 . VAL A 1 177 ? 30.515 20.245 19.093 1.00 33.45 ? 397 VAL A CG1 1 ATOM 1272 C CG2 . VAL A 1 177 ? 29.617 17.879 19.158 1.00 33.69 ? 397 VAL A CG2 1 ATOM 1273 N N . LEU A 1 178 ? 31.837 20.520 16.096 1.00 38.59 ? 398 LEU A N 1 ATOM 1274 C CA . LEU A 1 178 ? 32.687 21.581 15.597 1.00 37.29 ? 398 LEU A CA 1 ATOM 1275 C C . LEU A 1 178 ? 32.850 22.690 16.631 1.00 34.67 ? 398 LEU A C 1 ATOM 1276 O O . LEU A 1 178 ? 31.883 23.342 16.995 1.00 39.73 ? 398 LEU A O 1 ATOM 1277 C CB . LEU A 1 178 ? 32.125 22.139 14.279 1.00 34.18 ? 398 LEU A CB 1 ATOM 1278 C CG . LEU A 1 178 ? 32.877 23.290 13.599 1.00 36.82 ? 398 LEU A CG 1 ATOM 1279 C CD1 . LEU A 1 178 ? 34.324 22.936 13.218 1.00 34.04 ? 398 LEU A CD1 1 ATOM 1280 C CD2 . LEU A 1 178 ? 32.084 23.760 12.392 1.00 30.81 ? 398 LEU A CD2 1 ATOM 1281 N N . LYS A 1 179 ? 34.078 22.895 17.100 1.00 36.59 ? 399 LYS A N 1 ATOM 1282 C CA . LYS A 1 179 ? 34.385 23.970 18.046 1.00 35.86 ? 399 LYS A CA 1 ATOM 1283 C C . LYS A 1 179 ? 34.508 25.265 17.263 1.00 31.24 ? 399 LYS A C 1 ATOM 1284 O O . LYS A 1 179 ? 34.613 25.235 16.043 1.00 38.82 ? 399 LYS A O 1 ATOM 1285 C CB . LYS A 1 179 ? 35.700 23.687 18.770 1.00 38.52 ? 399 LYS A CB 1 ATOM 1286 C CG . LYS A 1 179 ? 35.606 22.738 19.946 1.00 44.11 ? 399 LYS A CG 1 ATOM 1287 C CD . LYS A 1 179 ? 35.860 23.477 21.252 1.00 45.73 ? 399 LYS A CD 1 ATOM 1288 C CE . LYS A 1 179 ? 35.873 22.532 22.444 1.00 46.06 ? 399 LYS A CE 1 ATOM 1289 N NZ . LYS A 1 179 ? 35.634 23.278 23.714 1.00 58.00 ? 399 LYS A NZ 1 ATOM 1290 N N . SER A 1 180 ? 34.529 26.397 17.960 1.00 28.93 ? 400 SER A N 1 ATOM 1291 C CA . SER A 1 180 ? 34.568 27.699 17.304 1.00 26.77 ? 400 SER A CA 1 ATOM 1292 C C . SER A 1 180 ? 35.961 28.109 16.798 1.00 29.68 ? 400 SER A C 1 ATOM 1293 O O . SER A 1 180 ? 36.109 29.161 16.166 1.00 26.77 ? 400 SER A O 1 ATOM 1294 C CB . SER A 1 180 ? 34.017 28.761 18.240 1.00 29.71 ? 400 SER A CB 1 ATOM 1295 O OG . SER A 1 180 ? 34.931 28.985 19.295 1.00 48.19 ? 400 SER A OG 1 ATOM 1296 N N . ASP A 1 181 ? 36.978 27.296 17.074 1.00 31.37 ? 401 ASP A N 1 ATOM 1297 C CA . ASP A 1 181 ? 38.317 27.524 16.505 1.00 35.52 ? 401 ASP A CA 1 ATOM 1298 C C . ASP A 1 181 ? 38.503 26.741 15.209 1.00 39.81 ? 401 ASP A C 1 ATOM 1299 O O . ASP A 1 181 ? 39.578 26.793 14.599 1.00 35.86 ? 401 ASP A O 1 ATOM 1300 C CB . ASP A 1 181 ? 39.421 27.155 17.497 1.00 37.73 ? 401 ASP A CB 1 ATOM 1301 C CG . ASP A 1 181 ? 39.441 25.660 17.842 1.00 46.44 ? 401 ASP A CG 1 ATOM 1302 O OD1 . ASP A 1 181 ? 38.425 24.950 17.645 1.00 48.06 ? 401 ASP A OD1 1 ATOM 1303 O OD2 . ASP A 1 181 ? 40.486 25.193 18.326 1.00 47.96 ? 401 ASP A OD2 1 ATOM 1304 N N . GLY A 1 182 ? 37.462 26.006 14.805 1.00 35.46 ? 402 GLY A N 1 ATOM 1305 C CA . GLY A 1 182 ? 37.458 25.294 13.521 1.00 29.63 ? 402 GLY A CA 1 ATOM 1306 C C . GLY A 1 182 ? 37.870 23.837 13.571 1.00 28.25 ? 402 GLY A C 1 ATOM 1307 O O . GLY A 1 182 ? 37.913 23.177 12.543 1.00 31.76 ? 402 GLY A O 1 ATOM 1308 N N . SER A 1 183 ? 38.182 23.342 14.766 1.00 30.29 ? 403 SER A N 1 ATOM 1309 C CA . SER A 1 183 ? 38.513 21.935 15.001 1.00 27.56 ? 403 SER A CA 1 ATOM 1310 C C . SER A 1 183 ? 37.344 21.202 15.662 1.00 30.58 ? 403 SER A C 1 ATOM 1311 O O . SER A 1 183 ? 36.379 21.822 16.115 1.00 34.63 ? 403 SER A O 1 ATOM 1312 C CB . SER A 1 183 ? 39.719 21.846 15.927 1.00 33.09 ? 403 SER A CB 1 ATOM 1313 O OG . SER A 1 183 ? 39.441 22.523 17.148 1.00 29.09 ? 403 SER A OG 1 ATOM 1314 N N . PHE A 1 184 ? 37.454 19.881 15.736 1.00 28.69 ? 404 PHE A N 1 ATOM 1315 C CA . PHE A 1 184 ? 36.413 19.034 16.285 1.00 31.32 ? 404 PHE A CA 1 ATOM 1316 C C . PHE A 1 184 ? 36.834 18.432 17.613 1.00 37.20 ? 404 PHE A C 1 ATOM 1317 O O . PHE A 1 184 ? 38.028 18.266 17.878 1.00 52.02 ? 404 PHE A O 1 ATOM 1318 C CB . PHE A 1 184 ? 36.086 17.912 15.297 1.00 36.40 ? 404 PHE A CB 1 ATOM 1319 C CG . PHE A 1 184 ? 35.421 18.398 14.037 1.00 46.96 ? 404 PHE A CG 1 ATOM 1320 C CD1 . PHE A 1 184 ? 36.188 18.841 12.949 1.00 33.86 ? 404 PHE A CD1 1 ATOM 1321 C CD2 . PHE A 1 184 ? 34.013 18.439 13.943 1.00 45.06 ? 404 PHE A CD2 1 ATOM 1322 C CE1 . PHE A 1 184 ? 35.563 19.313 11.802 1.00 37.19 ? 404 PHE A CE1 1 ATOM 1323 C CE2 . PHE A 1 184 ? 33.391 18.904 12.792 1.00 36.40 ? 404 PHE A CE2 1 ATOM 1324 C CZ . PHE A 1 184 ? 34.166 19.339 11.724 1.00 37.69 ? 404 PHE A CZ 1 ATOM 1325 N N . PHE A 1 185 ? 35.853 18.121 18.452 1.00 33.59 ? 405 PHE A N 1 ATOM 1326 C CA . PHE A 1 185 ? 36.091 17.304 19.631 1.00 31.01 ? 405 PHE A CA 1 ATOM 1327 C C . PHE A 1 185 ? 35.000 16.262 19.750 1.00 31.16 ? 405 PHE A C 1 ATOM 1328 O O . PHE A 1 185 ? 33.963 16.353 19.094 1.00 41.68 ? 405 PHE A O 1 ATOM 1329 C CB . PHE A 1 185 ? 36.195 18.154 20.906 1.00 37.97 ? 405 PHE A CB 1 ATOM 1330 C CG . PHE A 1 185 ? 34.867 18.562 21.504 1.00 46.26 ? 405 PHE A CG 1 ATOM 1331 C CD1 . PHE A 1 185 ? 34.264 17.793 22.501 1.00 45.30 ? 405 PHE A CD1 1 ATOM 1332 C CD2 . PHE A 1 185 ? 34.230 19.726 21.092 1.00 50.44 ? 405 PHE A CD2 1 ATOM 1333 C CE1 . PHE A 1 185 ? 33.048 18.166 23.055 1.00 47.01 ? 405 PHE A CE1 1 ATOM 1334 C CE2 . PHE A 1 185 ? 33.018 20.111 21.654 1.00 51.28 ? 405 PHE A CE2 1 ATOM 1335 C CZ . PHE A 1 185 ? 32.426 19.333 22.638 1.00 47.28 ? 405 PHE A CZ 1 ATOM 1336 N N . LEU A 1 186 ? 35.253 15.260 20.576 1.00 30.96 ? 406 LEU A N 1 ATOM 1337 C CA . LEU A 1 186 ? 34.253 14.265 20.934 1.00 32.50 ? 406 LEU A CA 1 ATOM 1338 C C . LEU A 1 186 ? 34.668 13.638 22.248 1.00 33.00 ? 406 LEU A C 1 ATOM 1339 O O . LEU A 1 186 ? 35.798 13.818 22.697 1.00 34.17 ? 406 LEU A O 1 ATOM 1340 C CB . LEU A 1 186 ? 34.103 13.195 19.842 1.00 28.83 ? 406 LEU A CB 1 ATOM 1341 C CG . LEU A 1 186 ? 35.273 12.304 19.402 1.00 31.44 ? 406 LEU A CG 1 ATOM 1342 C CD1 . LEU A 1 186 ? 35.803 11.450 20.550 1.00 28.34 ? 406 LEU A CD1 1 ATOM 1343 C CD2 . LEU A 1 186 ? 34.848 11.410 18.234 1.00 27.79 ? 406 LEU A CD2 1 ATOM 1344 N N . TYR A 1 187 ? 33.751 12.912 22.867 1.00 31.81 ? 407 TYR A N 1 ATOM 1345 C CA . TYR A 1 187 ? 34.074 12.141 24.041 1.00 35.07 ? 407 TYR A CA 1 ATOM 1346 C C . TYR A 1 187 ? 33.623 10.703 23.809 1.00 42.62 ? 407 TYR A C 1 ATOM 1347 O O . TYR A 1 187 ? 32.549 10.472 23.232 1.00 36.84 ? 407 TYR A O 1 ATOM 1348 C CB . TYR A 1 187 ? 33.306 12.672 25.236 1.00 33.38 ? 407 TYR A CB 1 ATOM 1349 C CG . TYR A 1 187 ? 33.794 13.938 25.897 1.00 27.61 ? 407 TYR A CG 1 ATOM 1350 C CD1 . TYR A 1 187 ? 34.618 13.883 27.020 1.00 27.71 ? 407 TYR A CD1 1 ATOM 1351 C CD2 . TYR A 1 187 ? 33.357 15.188 25.463 1.00 26.24 ? 407 TYR A CD2 1 ATOM 1352 C CE1 . TYR A 1 187 ? 35.024 15.044 27.673 1.00 27.24 ? 407 TYR A CE1 1 ATOM 1353 C CE2 . TYR A 1 187 ? 33.760 16.351 26.107 1.00 27.64 ? 407 TYR A CE2 1 ATOM 1354 C CZ . TYR A 1 187 ? 34.596 16.271 27.210 1.00 27.28 ? 407 TYR A CZ 1 ATOM 1355 O OH . TYR A 1 187 ? 35.011 17.420 27.844 1.00 27.08 ? 407 TYR A OH 1 ATOM 1356 N N . SER A 1 188 ? 34.427 9.745 24.272 1.00 40.06 ? 408 SER A N 1 ATOM 1357 C CA . SER A 1 188 ? 34.000 8.347 24.296 1.00 40.06 ? 408 SER A CA 1 ATOM 1358 C C . SER A 1 188 ? 33.891 7.815 25.735 1.00 41.35 ? 408 SER A C 1 ATOM 1359 O O . SER A 1 188 ? 34.818 7.954 26.533 1.00 46.05 ? 408 SER A O 1 ATOM 1360 C CB . SER A 1 188 ? 34.942 7.489 23.465 1.00 36.71 ? 408 SER A CB 1 ATOM 1361 O OG . SER A 1 188 ? 34.340 6.249 23.151 1.00 38.58 ? 408 SER A OG 1 ATOM 1362 N N . LYS A 1 189 ? 32.745 7.224 26.066 1.00 48.56 ? 409 LYS A N 1 ATOM 1363 C CA . LYS A 1 189 ? 32.475 6.756 27.433 1.00 44.73 ? 409 LYS A CA 1 ATOM 1364 C C . LYS A 1 189 ? 32.483 5.240 27.515 1.00 42.74 ? 409 LYS A C 1 ATOM 1365 O O . LYS A 1 189 ? 31.687 4.564 26.861 1.00 41.16 ? 409 LYS A O 1 ATOM 1366 C CB . LYS A 1 189 ? 31.136 7.303 27.964 1.00 42.56 ? 409 LYS A CB 1 ATOM 1367 C CG . LYS A 1 189 ? 30.737 6.753 29.333 1.00 43.30 ? 409 LYS A CG 1 ATOM 1368 C CD . LYS A 1 189 ? 29.631 7.556 30.011 1.00 39.50 ? 409 LYS A CD 1 ATOM 1369 C CE . LYS A 1 189 ? 28.242 7.274 29.415 1.00 39.62 ? 409 LYS A CE 1 ATOM 1370 N NZ . LYS A 1 189 ? 27.866 5.834 29.349 1.00 28.13 ? 409 LYS A NZ 1 ATOM 1371 N N . LEU A 1 190 ? 33.390 4.715 28.327 1.00 41.13 ? 410 LEU A N 1 ATOM 1372 C CA . LEU A 1 190 ? 33.432 3.284 28.591 1.00 43.39 ? 410 LEU A CA 1 ATOM 1373 C C . LEU A 1 190 ? 32.759 2.966 29.923 1.00 41.19 ? 410 LEU A C 1 ATOM 1374 O O . LEU A 1 190 ? 33.040 3.605 30.951 1.00 38.12 ? 410 LEU A O 1 ATOM 1375 C CB . LEU A 1 190 ? 34.875 2.764 28.574 1.00 43.72 ? 410 LEU A CB 1 ATOM 1376 C CG . LEU A 1 190 ? 35.096 1.282 28.903 1.00 39.19 ? 410 LEU A CG 1 ATOM 1377 C CD1 . LEU A 1 190 ? 34.365 0.358 27.930 1.00 30.71 ? 410 LEU A CD1 1 ATOM 1378 C CD2 . LEU A 1 190 ? 36.592 0.987 28.926 1.00 45.83 ? 410 LEU A CD2 1 ATOM 1379 N N . THR A 1 191 ? 31.873 1.978 29.885 1.00 37.76 ? 411 THR A N 1 ATOM 1380 C CA . THR A 1 191 ? 31.134 1.548 31.064 1.00 51.32 ? 411 THR A CA 1 ATOM 1381 C C . THR A 1 191 ? 31.625 0.155 31.473 1.00 49.65 ? 411 THR A C 1 ATOM 1382 O O . THR A 1 191 ? 31.489 -0.813 30.713 1.00 45.55 ? 411 THR A O 1 ATOM 1383 C CB . THR A 1 191 ? 29.600 1.583 30.800 1.00 50.59 ? 411 THR A CB 1 ATOM 1384 O OG1 . THR A 1 191 ? 29.210 2.922 30.490 1.00 48.22 ? 411 THR A OG1 1 ATOM 1385 C CG2 . THR A 1 191 ? 28.788 1.115 32.010 1.00 43.67 ? 411 THR A CG2 1 ATOM 1386 N N . VAL A 1 192 ? 32.224 0.076 32.661 1.00 54.03 ? 412 VAL A N 1 ATOM 1387 C CA . VAL A 1 192 ? 32.693 -1.200 33.230 1.00 56.19 ? 412 VAL A CA 1 ATOM 1388 C C . VAL A 1 192 ? 32.187 -1.414 34.662 1.00 58.37 ? 412 VAL A C 1 ATOM 1389 O O . VAL A 1 192 ? 31.854 -0.446 35.360 1.00 45.03 ? 412 VAL A O 1 ATOM 1390 C CB . VAL A 1 192 ? 34.241 -1.302 33.229 1.00 52.86 ? 412 VAL A CB 1 ATOM 1391 C CG1 . VAL A 1 192 ? 34.794 -1.250 31.810 1.00 49.59 ? 412 VAL A CG1 1 ATOM 1392 C CG2 . VAL A 1 192 ? 34.874 -0.220 34.102 1.00 47.34 ? 412 VAL A CG2 1 ATOM 1393 N N . ASP A 1 193 ? 32.150 -2.682 35.088 1.00 71.32 ? 413 ASP A N 1 ATOM 1394 C CA . ASP A 1 193 ? 31.863 -3.064 36.487 1.00 58.33 ? 413 ASP A CA 1 ATOM 1395 C C . ASP A 1 193 ? 32.876 -2.436 37.441 1.00 53.48 ? 413 ASP A C 1 ATOM 1396 O O . ASP A 1 193 ? 34.081 -2.470 37.171 1.00 55.66 ? 413 ASP A O 1 ATOM 1397 C CB . ASP A 1 193 ? 31.895 -4.589 36.659 1.00 54.47 ? 413 ASP A CB 1 ATOM 1398 C CG . ASP A 1 193 ? 30.778 -5.301 35.899 1.00 67.86 ? 413 ASP A CG 1 ATOM 1399 O OD1 . ASP A 1 193 ? 30.975 -6.483 35.537 1.00 71.07 ? 413 ASP A OD1 1 ATOM 1400 O OD2 . ASP A 1 193 ? 29.708 -4.693 35.664 1.00 64.89 ? 413 ASP A OD2 1 ATOM 1401 N N . LYS A 1 194 ? 32.382 -1.877 38.550 1.00 51.84 ? 414 LYS A N 1 ATOM 1402 C CA . LYS A 1 194 ? 33.227 -1.213 39.561 1.00 52.28 ? 414 LYS A CA 1 ATOM 1403 C C . LYS A 1 194 ? 34.446 -2.056 39.962 1.00 51.01 ? 414 LYS A C 1 ATOM 1404 O O . LYS A 1 194 ? 35.542 -1.515 40.140 1.00 55.81 ? 414 LYS A O 1 ATOM 1405 C CB . LYS A 1 194 ? 32.397 -0.837 40.797 1.00 50.78 ? 414 LYS A CB 1 ATOM 1406 C CG . LYS A 1 194 ? 33.054 0.171 41.728 1.00 42.52 ? 414 LYS A CG 1 ATOM 1407 N N . SER A 1 195 ? 34.239 -3.372 40.076 1.00 53.59 ? 415 SER A N 1 ATOM 1408 C CA . SER A 1 195 ? 35.288 -4.356 40.405 1.00 56.14 ? 415 SER A CA 1 ATOM 1409 C C . SER A 1 195 ? 36.503 -4.188 39.500 1.00 60.76 ? 415 SER A C 1 ATOM 1410 O O . SER A 1 195 ? 37.599 -3.852 39.967 1.00 55.26 ? 415 SER A O 1 ATOM 1411 C CB . SER A 1 195 ? 34.767 -5.803 40.258 1.00 53.45 ? 415 SER A CB 1 ATOM 1412 O OG . SER A 1 195 ? 33.366 -5.908 40.472 1.00 50.40 ? 415 SER A OG 1 ATOM 1413 N N . ARG A 1 196 ? 36.286 -4.420 38.202 1.00 58.23 ? 416 ARG A N 1 ATOM 1414 C CA . ARG A 1 196 ? 37.340 -4.354 37.193 1.00 51.07 ? 416 ARG A CA 1 ATOM 1415 C C . ARG A 1 196 ? 38.137 -3.068 37.345 1.00 55.21 ? 416 ARG A C 1 ATOM 1416 O O . ARG A 1 196 ? 39.371 -3.072 37.298 1.00 66.06 ? 416 ARG A O 1 ATOM 1417 C CB . ARG A 1 196 ? 36.755 -4.428 35.784 1.00 50.55 ? 416 ARG A CB 1 ATOM 1418 C CG . ARG A 1 196 ? 35.929 -5.665 35.479 1.00 47.78 ? 416 ARG A CG 1 ATOM 1419 C CD . ARG A 1 196 ? 35.523 -5.680 34.017 1.00 51.71 ? 416 ARG A CD 1 ATOM 1420 N NE . ARG A 1 196 ? 36.676 -5.432 33.153 1.00 66.64 ? 416 ARG A NE 1 ATOM 1421 C CZ . ARG A 1 196 ? 36.655 -5.477 31.826 1.00 73.16 ? 416 ARG A CZ 1 ATOM 1422 N NH1 . ARG A 1 196 ? 35.535 -5.764 31.179 1.00 62.97 ? 416 ARG A NH1 1 ATOM 1423 N NH2 . ARG A 1 196 ? 37.763 -5.239 31.142 1.00 83.23 ? 416 ARG A NH2 1 ATOM 1424 N N . TRP A 1 197 ? 37.429 -1.963 37.538 1.00 50.35 ? 417 TRP A N 1 ATOM 1425 C CA . TRP A 1 197 ? 38.114 -0.712 37.754 1.00 54.98 ? 417 TRP A CA 1 ATOM 1426 C C . TRP A 1 197 ? 38.923 -0.846 39.004 1.00 59.52 ? 417 TRP A C 1 ATOM 1427 O O . TRP A 1 197 ? 40.150 -0.724 38.967 1.00 59.29 ? 417 TRP A O 1 ATOM 1428 C CB . TRP A 1 197 ? 37.139 0.466 37.831 1.00 53.76 ? 417 TRP A CB 1 ATOM 1429 C CG . TRP A 1 197 ? 37.841 1.758 38.160 1.00 36.83 ? 417 TRP A CG 1 ATOM 1430 C CD1 . TRP A 1 197 ? 37.750 2.506 39.332 1.00 39.25 ? 417 TRP A CD1 1 ATOM 1431 C CD2 . TRP A 1 197 ? 38.803 2.473 37.326 1.00 33.85 ? 417 TRP A CD2 1 ATOM 1432 N NE1 . TRP A 1 197 ? 38.560 3.619 39.277 1.00 38.55 ? 417 TRP A NE1 1 ATOM 1433 C CE2 . TRP A 1 197 ? 39.224 3.655 38.102 1.00 39.16 ? 417 TRP A CE2 1 ATOM 1434 C CE3 . TRP A 1 197 ? 39.332 2.274 36.059 1.00 29.41 ? 417 TRP A CE3 1 ATOM 1435 C CZ2 . TRP A 1 197 ? 40.138 4.571 37.603 1.00 35.39 ? 417 TRP A CZ2 1 ATOM 1436 C CZ3 . TRP A 1 197 ? 40.253 3.205 35.569 1.00 26.81 ? 417 TRP A CZ3 1 ATOM 1437 C CH2 . TRP A 1 197 ? 40.651 4.318 36.324 1.00 32.66 ? 417 TRP A CH2 1 ATOM 1438 N N . GLN A 1 198 ? 38.241 -1.165 40.107 1.00 70.09 ? 418 GLN A N 1 ATOM 1439 C CA . GLN A 1 198 ? 38.839 -1.141 41.449 1.00 76.55 ? 418 GLN A CA 1 ATOM 1440 C C . GLN A 1 198 ? 40.058 -2.042 41.639 1.00 62.25 ? 418 GLN A C 1 ATOM 1441 O O . GLN A 1 198 ? 40.964 -1.695 42.397 1.00 50.15 ? 418 GLN A O 1 ATOM 1442 C CB . GLN A 1 198 ? 37.789 -1.433 42.529 1.00 79.97 ? 418 GLN A CB 1 ATOM 1443 C CG . GLN A 1 198 ? 36.881 -0.248 42.840 1.00 84.00 ? 418 GLN A CG 1 ATOM 1444 C CD . GLN A 1 198 ? 36.219 -0.332 44.207 1.00 78.59 ? 418 GLN A CD 1 ATOM 1445 O OE1 . GLN A 1 198 ? 36.258 0.626 44.977 1.00 78.14 ? 418 GLN A OE1 1 ATOM 1446 N NE2 . GLN A 1 198 ? 35.607 -1.477 44.514 1.00 66.79 ? 418 GLN A NE2 1 ATOM 1447 N N . GLN A 1 199 ? 40.083 -3.182 40.948 1.00 64.44 ? 419 GLN A N 1 ATOM 1448 C CA . GLN A 1 199 ? 41.194 -4.133 41.087 1.00 75.99 ? 419 GLN A CA 1 ATOM 1449 C C . GLN A 1 199 ? 42.371 -3.895 40.125 1.00 65.13 ? 419 GLN A C 1 ATOM 1450 O O . GLN A 1 199 ? 43.114 -4.822 39.800 1.00 63.14 ? 419 GLN A O 1 ATOM 1451 C CB . GLN A 1 199 ? 40.698 -5.591 41.050 1.00 77.08 ? 419 GLN A CB 1 ATOM 1452 C CG . GLN A 1 199 ? 39.987 -6.019 39.775 1.00 84.32 ? 419 GLN A CG 1 ATOM 1453 C CD . GLN A 1 199 ? 39.061 -7.208 39.987 1.00 84.48 ? 419 GLN A CD 1 ATOM 1454 O OE1 . GLN A 1 199 ? 38.679 -7.524 41.119 1.00 67.51 ? 419 GLN A OE1 1 ATOM 1455 N NE2 . GLN A 1 199 ? 38.684 -7.867 38.893 1.00 70.45 ? 419 GLN A NE2 1 ATOM 1456 N N . GLY A 1 200 ? 42.528 -2.649 39.683 1.00 59.82 ? 420 GLY A N 1 ATOM 1457 C CA . GLY A 1 200 ? 43.713 -2.217 38.941 1.00 55.08 ? 420 GLY A CA 1 ATOM 1458 C C . GLY A 1 200 ? 43.815 -2.477 37.441 1.00 48.54 ? 420 GLY A C 1 ATOM 1459 O O . GLY A 1 200 ? 44.774 -2.020 36.814 1.00 37.46 ? 420 GLY A O 1 ATOM 1460 N N . ASN A 1 201 ? 42.849 -3.206 36.868 1.00 48.32 ? 421 ASN A N 1 ATOM 1461 C CA . ASN A 1 201 ? 42.826 -3.506 35.428 1.00 45.48 ? 421 ASN A CA 1 ATOM 1462 C C . ASN A 1 201 ? 43.087 -2.291 34.544 1.00 45.62 ? 421 ASN A C 1 ATOM 1463 O O . ASN A 1 201 ? 42.552 -1.214 34.797 1.00 51.10 ? 421 ASN A O 1 ATOM 1464 C CB . ASN A 1 201 ? 41.505 -4.166 35.036 1.00 49.92 ? 421 ASN A CB 1 ATOM 1465 C CG . ASN A 1 201 ? 41.489 -5.656 35.334 1.00 68.21 ? 421 ASN A CG 1 ATOM 1466 O OD1 . ASN A 1 201 ? 42.515 -6.336 35.246 1.00 82.12 ? 421 ASN A OD1 1 ATOM 1467 N ND2 . ASN A 1 201 ? 40.317 -6.176 35.673 1.00 65.79 ? 421 ASN A ND2 1 ATOM 1468 N N . VAL A 1 202 ? 43.929 -2.457 33.526 1.00 48.64 ? 422 VAL A N 1 ATOM 1469 C CA . VAL A 1 202 ? 44.325 -1.331 32.669 1.00 54.09 ? 422 VAL A CA 1 ATOM 1470 C C . VAL A 1 202 ? 43.453 -1.276 31.426 1.00 50.24 ? 422 VAL A C 1 ATOM 1471 O O . VAL A 1 202 ? 43.286 -2.276 30.728 1.00 45.34 ? 422 VAL A O 1 ATOM 1472 C CB . VAL A 1 202 ? 45.830 -1.348 32.291 1.00 51.56 ? 422 VAL A CB 1 ATOM 1473 C CG1 . VAL A 1 202 ? 46.164 -0.263 31.274 1.00 49.03 ? 422 VAL A CG1 1 ATOM 1474 C CG2 . VAL A 1 202 ? 46.682 -1.129 33.526 1.00 51.69 ? 422 VAL A CG2 1 ATOM 1475 N N . PHE A 1 203 ? 42.888 -0.097 31.178 1.00 49.77 ? 423 PHE A N 1 ATOM 1476 C CA . PHE A 1 203 ? 42.025 0.127 30.025 1.00 46.86 ? 423 PHE A CA 1 ATOM 1477 C C . PHE A 1 203 ? 42.673 1.152 29.113 1.00 45.09 ? 423 PHE A C 1 ATOM 1478 O O . PHE A 1 203 ? 43.378 2.070 29.585 1.00 40.00 ? 423 PHE A O 1 ATOM 1479 C CB . PHE A 1 203 ? 40.639 0.603 30.461 1.00 42.29 ? 423 PHE A CB 1 ATOM 1480 C CG . PHE A 1 203 ? 39.939 -0.345 31.384 1.00 42.31 ? 423 PHE A CG 1 ATOM 1481 C CD1 . PHE A 1 203 ? 40.115 -0.252 32.773 1.00 43.37 ? 423 PHE A CD1 1 ATOM 1482 C CD2 . PHE A 1 203 ? 39.100 -1.328 30.879 1.00 35.35 ? 423 PHE A CD2 1 ATOM 1483 C CE1 . PHE A 1 203 ? 39.465 -1.131 33.633 1.00 36.06 ? 423 PHE A CE1 1 ATOM 1484 C CE2 . PHE A 1 203 ? 38.448 -2.205 31.731 1.00 38.75 ? 423 PHE A CE2 1 ATOM 1485 C CZ . PHE A 1 203 ? 38.633 -2.109 33.110 1.00 38.29 ? 423 PHE A CZ 1 ATOM 1486 N N . SER A 1 204 ? 42.427 0.983 27.814 1.00 34.50 ? 424 SER A N 1 ATOM 1487 C CA . SER A 1 204 ? 43.083 1.788 26.784 1.00 39.02 ? 424 SER A CA 1 ATOM 1488 C C . SER A 1 204 ? 42.101 2.385 25.787 1.00 38.84 ? 424 SER A C 1 ATOM 1489 O O . SER A 1 204 ? 41.179 1.703 25.296 1.00 37.80 ? 424 SER A O 1 ATOM 1490 C CB . SER A 1 204 ? 44.136 0.951 26.040 1.00 43.58 ? 424 SER A CB 1 ATOM 1491 O OG . SER A 1 204 ? 45.300 0.772 26.834 1.00 59.13 ? 424 SER A OG 1 ATOM 1492 N N . CYS A 1 205 ? 42.314 3.661 25.487 1.00 32.18 ? 425 CYS A N 1 ATOM 1493 C CA . CYS A 1 205 ? 41.539 4.363 24.480 1.00 34.95 ? 425 CYS A CA 1 ATOM 1494 C C . CYS A 1 205 ? 42.361 4.483 23.205 1.00 35.24 ? 425 CYS A C 1 ATOM 1495 O O . CYS A 1 205 ? 43.441 5.066 23.236 1.00 36.95 ? 425 CYS A O 1 ATOM 1496 C CB . CYS A 1 205 ? 41.163 5.758 24.990 1.00 37.91 ? 425 CYS A CB 1 ATOM 1497 S SG . CYS A 1 205 ? 40.233 6.731 23.790 1.00 47.95 ? 425 CYS A SG 1 ATOM 1498 N N . SER A 1 206 ? 41.851 3.943 22.096 1.00 34.31 ? 426 SER A N 1 ATOM 1499 C CA . SER A 1 206 ? 42.562 3.973 20.804 1.00 37.08 ? 426 SER A CA 1 ATOM 1500 C C . SER A 1 206 ? 41.930 4.933 19.798 1.00 36.15 ? 426 SER A C 1 ATOM 1501 O O . SER A 1 206 ? 40.730 4.884 19.557 1.00 53.18 ? 426 SER A O 1 ATOM 1502 C CB . SER A 1 206 ? 42.604 2.574 20.197 1.00 38.27 ? 426 SER A CB 1 ATOM 1503 O OG . SER A 1 206 ? 42.644 1.596 21.215 1.00 54.77 ? 426 SER A OG 1 ATOM 1504 N N . VAL A 1 207 ? 42.744 5.790 19.198 1.00 29.62 ? 427 VAL A N 1 ATOM 1505 C CA . VAL A 1 207 ? 42.278 6.773 18.218 1.00 30.71 ? 427 VAL A CA 1 ATOM 1506 C C . VAL A 1 207 ? 42.986 6.590 16.862 1.00 37.08 ? 427 VAL A C 1 ATOM 1507 O O . VAL A 1 207 ? 44.214 6.458 16.816 1.00 40.86 ? 427 VAL A O 1 ATOM 1508 C CB . VAL A 1 207 ? 42.541 8.212 18.720 1.00 30.11 ? 427 VAL A CB 1 ATOM 1509 C CG1 . VAL A 1 207 ? 42.004 9.256 17.747 1.00 34.27 ? 427 VAL A CG1 1 ATOM 1510 C CG2 . VAL A 1 207 ? 41.948 8.434 20.105 1.00 34.05 ? 427 VAL A CG2 1 ATOM 1511 N N . MET A 1 208 ? 42.219 6.579 15.767 1.00 32.92 ? 428 MET A N 1 ATOM 1512 C CA . MET A 1 208 ? 42.801 6.668 14.424 1.00 31.65 ? 428 MET A CA 1 ATOM 1513 C C . MET A 1 208 ? 42.463 7.987 13.751 1.00 35.48 ? 428 MET A C 1 ATOM 1514 O O . MET A 1 208 ? 41.297 8.394 13.694 1.00 36.56 ? 428 MET A O 1 ATOM 1515 C CB . MET A 1 208 ? 42.344 5.541 13.517 1.00 38.68 ? 428 MET A CB 1 ATOM 1516 C CG . MET A 1 208 ? 42.895 4.184 13.875 1.00 45.21 ? 428 MET A CG 1 ATOM 1517 S SD . MET A 1 208 ? 42.277 2.952 12.722 1.00 44.57 ? 428 MET A SD 1 ATOM 1518 C CE . MET A 1 208 ? 42.307 1.516 13.783 1.00 45.14 ? 428 MET A CE 1 ATOM 1519 N N . HIS A 1 209 ? 43.496 8.638 13.225 1.00 30.88 ? 429 HIS A N 1 ATOM 1520 C CA . HIS A 1 209 ? 43.351 9.924 12.569 1.00 30.21 ? 429 HIS A CA 1 ATOM 1521 C C . HIS A 1 209 ? 44.553 10.192 11.715 1.00 30.15 ? 429 HIS A C 1 ATOM 1522 O O . HIS A 1 209 ? 45.667 9.850 12.090 1.00 36.36 ? 429 HIS A O 1 ATOM 1523 C CB . HIS A 1 209 ? 43.181 11.015 13.604 1.00 24.05 ? 429 HIS A CB 1 ATOM 1524 C CG . HIS A 1 209 ? 42.785 12.333 13.025 1.00 24.27 ? 429 HIS A CG 1 ATOM 1525 N ND1 . HIS A 1 209 ? 43.681 13.289 12.739 1.00 24.45 ? 429 HIS A ND1 1 ATOM 1526 C CD2 . HIS A 1 209 ? 41.536 12.841 12.678 1.00 25.32 ? 429 HIS A CD2 1 ATOM 1527 C CE1 . HIS A 1 209 ? 43.041 14.362 12.241 1.00 27.16 ? 429 HIS A CE1 1 ATOM 1528 N NE2 . HIS A 1 209 ? 41.728 14.086 12.201 1.00 26.19 ? 429 HIS A NE2 1 ATOM 1529 N N . GLU A 1 210 ? 44.351 10.811 10.560 1.00 27.38 ? 430 GLU A N 1 ATOM 1530 C CA . GLU A 1 210 ? 45.432 10.929 9.587 1.00 39.05 ? 430 GLU A CA 1 ATOM 1531 C C . GLU A 1 210 ? 46.629 11.704 10.143 1.00 35.34 ? 430 GLU A C 1 ATOM 1532 O O . GLU A 1 210 ? 47.750 11.494 9.720 1.00 39.24 ? 430 GLU A O 1 ATOM 1533 C CB . GLU A 1 210 ? 44.934 11.563 8.278 1.00 40.10 ? 430 GLU A CB 1 ATOM 1534 C CG . GLU A 1 210 ? 44.667 13.059 8.378 1.00 46.37 ? 430 GLU A CG 1 ATOM 1535 C CD . GLU A 1 210 ? 43.889 13.602 7.203 1.00 48.83 ? 430 GLU A CD 1 ATOM 1536 O OE1 . GLU A 1 210 ? 42.681 13.272 7.070 1.00 47.64 ? 430 GLU A OE1 1 ATOM 1537 O OE2 . GLU A 1 210 ? 44.494 14.372 6.429 1.00 35.97 ? 430 GLU A OE2 1 ATOM 1538 N N . ALA A 1 211 ? 46.370 12.589 11.092 1.00 36.18 ? 431 ALA A N 1 ATOM 1539 C CA . ALA A 1 211 ? 47.357 13.565 11.527 1.00 38.88 ? 431 ALA A CA 1 ATOM 1540 C C . ALA A 1 211 ? 48.190 13.052 12.712 1.00 37.92 ? 431 ALA A C 1 ATOM 1541 O O . ALA A 1 211 ? 49.133 13.701 13.148 1.00 41.85 ? 431 ALA A O 1 ATOM 1542 C CB . ALA A 1 211 ? 46.657 14.873 11.873 1.00 37.91 ? 431 ALA A CB 1 ATOM 1543 N N . LEU A 1 212 ? 47.813 11.897 13.242 1.00 30.55 ? 432 LEU A N 1 ATOM 1544 C CA . LEU A 1 212 ? 48.612 11.215 14.235 1.00 33.17 ? 432 LEU A CA 1 ATOM 1545 C C . LEU A 1 212 ? 49.731 10.465 13.518 1.00 42.37 ? 432 LEU A C 1 ATOM 1546 O O . LEU A 1 212 ? 49.565 10.012 12.373 1.00 41.28 ? 432 LEU A O 1 ATOM 1547 C CB . LEU A 1 212 ? 47.763 10.207 15.015 1.00 26.86 ? 432 LEU A CB 1 ATOM 1548 C CG . LEU A 1 212 ? 46.695 10.745 15.969 1.00 31.62 ? 432 LEU A CG 1 ATOM 1549 C CD1 . LEU A 1 212 ? 45.680 9.651 16.312 1.00 29.97 ? 432 LEU A CD1 1 ATOM 1550 C CD2 . LEU A 1 212 ? 47.337 11.338 17.225 1.00 25.27 ? 432 LEU A CD2 1 ATOM 1551 N N . HIS A 1 213 ? 50.863 10.336 14.203 1.00 41.26 ? 433 HIS A N 1 ATOM 1552 C CA . HIS A 1 213 ? 51.962 9.502 13.745 1.00 37.05 ? 433 HIS A CA 1 ATOM 1553 C C . HIS A 1 213 ? 51.495 8.075 13.592 1.00 35.30 ? 433 HIS A C 1 ATOM 1554 O O . HIS A 1 213 ? 50.969 7.479 14.538 1.00 40.35 ? 433 HIS A O 1 ATOM 1555 C CB . HIS A 1 213 ? 53.136 9.602 14.713 1.00 38.82 ? 433 HIS A CB 1 ATOM 1556 C CG . HIS A 1 213 ? 54.283 8.708 14.349 1.00 39.87 ? 433 HIS A CG 1 ATOM 1557 N ND1 . HIS A 1 213 ? 55.212 9.062 13.439 1.00 37.02 ? 433 HIS A ND1 1 ATOM 1558 C CD2 . HIS A 1 213 ? 54.604 7.416 14.768 1.00 34.50 ? 433 HIS A CD2 1 ATOM 1559 C CE1 . HIS A 1 213 ? 56.089 8.054 13.291 1.00 41.62 ? 433 HIS A CE1 1 ATOM 1560 N NE2 . HIS A 1 213 ? 55.716 7.048 14.110 1.00 40.91 ? 433 HIS A NE2 1 ATOM 1561 N N . ASN A 1 214 ? 51.674 7.529 12.389 1.00 27.92 ? 434 ASN A N 1 ATOM 1562 C CA . ASN A 1 214 ? 51.129 6.220 12.001 1.00 28.91 ? 434 ASN A CA 1 ATOM 1563 C C . ASN A 1 214 ? 49.604 6.109 12.089 1.00 37.06 ? 434 ASN A C 1 ATOM 1564 O O . ASN A 1 214 ? 49.058 4.993 12.252 1.00 32.98 ? 434 ASN A O 1 ATOM 1565 C CB . ASN A 1 214 ? 51.792 5.087 12.779 1.00 38.06 ? 434 ASN A CB 1 ATOM 1566 C CG . ASN A 1 214 ? 53.188 4.771 12.276 1.00 40.40 ? 434 ASN A CG 1 ATOM 1567 O OD1 . ASN A 1 214 ? 53.532 5.087 11.134 1.00 37.77 ? 434 ASN A OD1 1 ATOM 1568 N ND2 . ASN A 1 214 ? 53.998 4.133 13.125 1.00 39.00 ? 434 ASN A ND2 1 ATOM 1569 N N . HIS A 1 215 ? 48.927 7.262 11.967 1.00 29.99 ? 435 HIS A N 1 ATOM 1570 C CA . HIS A 1 215 ? 47.475 7.332 12.037 1.00 26.84 ? 435 HIS A CA 1 ATOM 1571 C C . HIS A 1 215 ? 46.945 6.730 13.300 1.00 26.57 ? 435 HIS A C 1 ATOM 1572 O O . HIS A 1 215 ? 45.845 6.190 13.298 1.00 32.51 ? 435 HIS A O 1 ATOM 1573 C CB . HIS A 1 215 ? 46.819 6.591 10.860 1.00 21.71 ? 435 HIS A CB 1 ATOM 1574 C CG . HIS A 1 215 ? 47.243 7.078 9.513 1.00 18.35 ? 435 HIS A CG 1 ATOM 1575 N ND1 . HIS A 1 215 ? 46.996 6.382 8.390 1.00 17.52 ? 435 HIS A ND1 1 ATOM 1576 C CD2 . HIS A 1 215 ? 47.942 8.225 9.129 1.00 19.16 ? 435 HIS A CD2 1 ATOM 1577 C CE1 . HIS A 1 215 ? 47.487 7.058 7.333 1.00 19.89 ? 435 HIS A CE1 1 ATOM 1578 N NE2 . HIS A 1 215 ? 48.084 8.178 7.793 1.00 20.92 ? 435 HIS A NE2 1 ATOM 1579 N N . TYR A 1 216 ? 47.698 6.791 14.391 1.00 28.18 ? 436 TYR A N 1 ATOM 1580 C CA . TYR A 1 216 ? 47.306 6.031 15.582 1.00 30.94 ? 436 TYR A CA 1 ATOM 1581 C C . TYR A 1 216 ? 47.841 6.631 16.854 1.00 32.15 ? 436 TYR A C 1 ATOM 1582 O O . TYR A 1 216 ? 48.829 7.360 16.856 1.00 37.79 ? 436 TYR A O 1 ATOM 1583 C CB . TYR A 1 216 ? 47.802 4.593 15.469 1.00 37.17 ? 436 TYR A CB 1 ATOM 1584 C CG . TYR A 1 216 ? 47.096 3.558 16.332 1.00 39.57 ? 436 TYR A CG 1 ATOM 1585 C CD1 . TYR A 1 216 ? 47.698 3.047 17.490 1.00 45.36 ? 436 TYR A CD1 1 ATOM 1586 C CD2 . TYR A 1 216 ? 45.860 3.050 15.964 1.00 36.75 ? 436 TYR A CD2 1 ATOM 1587 C CE1 . TYR A 1 216 ? 47.066 2.081 18.265 1.00 36.79 ? 436 TYR A CE1 1 ATOM 1588 C CE2 . TYR A 1 216 ? 45.224 2.088 16.727 1.00 36.75 ? 436 TYR A CE2 1 ATOM 1589 C CZ . TYR A 1 216 ? 45.827 1.612 17.873 1.00 42.94 ? 436 TYR A CZ 1 ATOM 1590 O OH . TYR A 1 216 ? 45.173 0.658 18.619 1.00 61.88 ? 436 TYR A OH 1 ATOM 1591 N N . THR A 1 217 ? 47.151 6.340 17.940 1.00 30.64 ? 437 THR A N 1 ATOM 1592 C CA . THR A 1 217 ? 47.682 6.580 19.255 1.00 30.88 ? 437 THR A CA 1 ATOM 1593 C C . THR A 1 217 ? 46.812 5.865 20.258 1.00 37.01 ? 437 THR A C 1 ATOM 1594 O O . THR A 1 217 ? 45.705 5.407 19.945 1.00 36.57 ? 437 THR A O 1 ATOM 1595 C CB . THR A 1 217 ? 47.817 8.069 19.598 1.00 39.08 ? 437 THR A CB 1 ATOM 1596 O OG1 . THR A 1 217 ? 48.535 8.192 20.827 1.00 46.96 ? 437 THR A OG1 1 ATOM 1597 C CG2 . THR A 1 217 ? 46.446 8.746 19.743 1.00 48.96 ? 437 THR A CG2 1 ATOM 1598 N N . GLN A 1 218 ? 47.334 5.739 21.464 1.00 38.54 ? 438 GLN A N 1 ATOM 1599 C CA . GLN A 1 218 ? 46.683 4.942 22.466 1.00 35.34 ? 438 GLN A CA 1 ATOM 1600 C C . GLN A 1 218 ? 47.037 5.527 23.809 1.00 35.33 ? 438 GLN A C 1 ATOM 1601 O O . GLN A 1 218 ? 48.198 5.813 24.086 1.00 44.29 ? 438 GLN A O 1 ATOM 1602 C CB . GLN A 1 218 ? 47.146 3.507 22.343 1.00 33.66 ? 438 GLN A CB 1 ATOM 1603 C CG . GLN A 1 218 ? 46.084 2.510 22.689 1.00 43.68 ? 438 GLN A CG 1 ATOM 1604 C CD . GLN A 1 218 ? 46.492 1.118 22.287 1.00 47.76 ? 438 GLN A CD 1 ATOM 1605 O OE1 . GLN A 1 218 ? 46.472 0.771 21.105 1.00 54.17 ? 438 GLN A OE1 1 ATOM 1606 N NE2 . GLN A 1 218 ? 46.873 0.311 23.267 1.00 46.46 ? 438 GLN A NE2 1 ATOM 1607 N N . LYS A 1 219 ? 46.017 5.775 24.617 1.00 37.43 ? 439 LYS A N 1 ATOM 1608 C CA . LYS A 1 219 ? 46.224 6.356 25.927 1.00 36.10 ? 439 LYS A CA 1 ATOM 1609 C C . LYS A 1 219 ? 45.600 5.417 26.929 1.00 45.30 ? 439 LYS A C 1 ATOM 1610 O O . LYS A 1 219 ? 44.550 4.809 26.663 1.00 49.10 ? 439 LYS A O 1 ATOM 1611 C CB . LYS A 1 219 ? 45.607 7.744 26.006 1.00 35.10 ? 439 LYS A CB 1 ATOM 1612 C CG . LYS A 1 219 ? 46.133 8.735 24.975 1.00 31.90 ? 439 LYS A CG 1 ATOM 1613 C CD . LYS A 1 219 ? 47.619 8.998 25.125 1.00 34.38 ? 439 LYS A CD 1 ATOM 1614 C CE . LYS A 1 219 ? 48.053 10.119 24.195 1.00 42.24 ? 439 LYS A CE 1 ATOM 1615 N NZ . LYS A 1 219 ? 49.318 10.741 24.664 1.00 51.28 ? 439 LYS A NZ 1 ATOM 1616 N N . SER A 1 220 ? 46.259 5.260 28.069 1.00 45.14 ? 440 SER A N 1 ATOM 1617 C CA . SER A 1 220 ? 45.829 4.234 29.006 1.00 48.54 ? 440 SER A CA 1 ATOM 1618 C C . SER A 1 220 ? 45.242 4.787 30.286 1.00 41.38 ? 440 SER A C 1 ATOM 1619 O O . SER A 1 220 ? 45.510 5.931 30.649 1.00 45.46 ? 440 SER A O 1 ATOM 1620 C CB . SER A 1 220 ? 46.958 3.252 29.268 1.00 50.02 ? 440 SER A CB 1 ATOM 1621 O OG . SER A 1 220 ? 47.063 2.390 28.148 1.00 66.70 ? 440 SER A OG 1 ATOM 1622 N N . LEU A 1 221 ? 44.417 3.976 30.942 1.00 39.15 ? 441 LEU A N 1 ATOM 1623 C CA . LEU A 1 221 ? 43.713 4.388 32.148 1.00 42.61 ? 441 LEU A CA 1 ATOM 1624 C C . LEU A 1 221 ? 43.499 3.218 33.107 1.00 43.52 ? 441 LEU A C 1 ATOM 1625 O O . LEU A 1 221 ? 42.957 2.161 32.734 1.00 41.81 ? 441 LEU A O 1 ATOM 1626 C CB . LEU A 1 221 ? 42.367 5.031 31.772 1.00 51.13 ? 441 LEU A CB 1 ATOM 1627 C CG . LEU A 1 221 ? 41.497 5.674 32.857 1.00 48.85 ? 441 LEU A CG 1 ATOM 1628 C CD1 . LEU A 1 221 ? 42.135 6.931 33.426 1.00 47.71 ? 441 LEU A CD1 1 ATOM 1629 C CD2 . LEU A 1 221 ? 40.129 5.982 32.282 1.00 51.48 ? 441 LEU A CD2 1 ATOM 1630 N N . SER A 1 222 ? 43.933 3.420 34.346 1.00 47.57 ? 442 SER A N 1 ATOM 1631 C CA . SER A 1 222 ? 43.772 2.430 35.414 1.00 49.17 ? 442 SER A CA 1 ATOM 1632 C C . SER A 1 222 ? 43.842 3.155 36.748 1.00 44.62 ? 442 SER A C 1 ATOM 1633 O O . SER A 1 222 ? 44.242 4.314 36.800 1.00 37.36 ? 442 SER A O 1 ATOM 1634 C CB . SER A 1 222 ? 44.882 1.380 35.348 1.00 53.20 ? 442 SER A CB 1 ATOM 1635 O OG . SER A 1 222 ? 46.146 1.972 35.624 1.00 48.35 ? 442 SER A OG 1 ATOM 1636 N N . LEU A 1 223 ? 43.472 2.464 37.823 1.00 50.14 ? 443 LEU A N 1 ATOM 1637 C CA . LEU A 1 223 ? 43.473 3.057 39.154 1.00 49.23 ? 443 LEU A CA 1 ATOM 1638 C C . LEU A 1 223 ? 44.882 3.344 39.651 1.00 52.72 ? 443 LEU A C 1 ATOM 1639 O O . LEU A 1 223 ? 45.248 4.501 39.848 1.00 64.64 ? 443 LEU A O 1 ATOM 1640 C CB . LEU A 1 223 ? 42.733 2.158 40.138 1.00 53.05 ? 443 LEU A CB 1 ATOM 1641 C CG . LEU A 1 223 ? 42.582 2.694 41.566 1.00 66.07 ? 443 LEU A CG 1 ATOM 1642 C CD1 . LEU A 1 223 ? 42.001 4.107 41.596 1.00 65.42 ? 443 LEU A CD1 1 ATOM 1643 C CD2 . LEU A 1 223 ? 41.734 1.734 42.387 1.00 68.64 ? 443 LEU A CD2 1 ATOM 1644 N N . GLY B 2 29 ? 2.501 18.150 -6.532 1.00 89.26 ? 236 GLY B N 1 ATOM 1645 C CA . GLY B 2 29 ? 1.926 17.688 -5.232 1.00 92.53 ? 236 GLY B CA 1 ATOM 1646 C C . GLY B 2 29 ? 1.246 18.826 -4.491 1.00 89.54 ? 236 GLY B C 1 ATOM 1647 O O . GLY B 2 29 ? 0.806 19.798 -5.112 1.00 86.73 ? 236 GLY B O 1 ATOM 1648 N N . GLY B 2 30 ? 1.159 18.703 -3.164 1.00 68.56 ? 237 GLY B N 1 ATOM 1649 C CA . GLY B 2 30 ? 0.593 19.750 -2.309 1.00 51.36 ? 237 GLY B CA 1 ATOM 1650 C C . GLY B 2 30 ? 1.496 20.152 -1.149 1.00 47.72 ? 237 GLY B C 1 ATOM 1651 O O . GLY B 2 30 ? 2.641 19.695 -1.066 1.00 47.82 ? 237 GLY B O 1 ATOM 1652 N N . PRO B 2 31 ? 0.988 21.010 -0.238 1.00 41.07 ? 238 PRO B N 1 ATOM 1653 C CA . PRO B 2 31 ? 1.727 21.451 0.957 1.00 36.53 ? 238 PRO B CA 1 ATOM 1654 C C . PRO B 2 31 ? 2.206 20.309 1.840 1.00 31.72 ? 238 PRO B C 1 ATOM 1655 O O . PRO B 2 31 ? 1.655 19.218 1.790 1.00 37.84 ? 238 PRO B O 1 ATOM 1656 C CB . PRO B 2 31 ? 0.697 22.280 1.738 1.00 33.10 ? 238 PRO B CB 1 ATOM 1657 C CG . PRO B 2 31 ? -0.296 22.707 0.731 1.00 40.70 ? 238 PRO B CG 1 ATOM 1658 C CD . PRO B 2 31 ? -0.345 21.636 -0.323 1.00 41.17 ? 238 PRO B CD 1 ATOM 1659 N N . SER B 2 32 ? 3.229 20.566 2.644 1.00 34.89 ? 239 SER B N 1 ATOM 1660 C CA . SER B 2 32 ? 3.710 19.586 3.621 1.00 38.50 ? 239 SER B CA 1 ATOM 1661 C C . SER B 2 32 ? 3.803 20.279 4.956 1.00 35.37 ? 239 SER B C 1 ATOM 1662 O O . SER B 2 32 ? 4.134 21.466 5.014 1.00 38.64 ? 239 SER B O 1 ATOM 1663 C CB . SER B 2 32 ? 5.082 19.036 3.227 1.00 37.49 ? 239 SER B CB 1 ATOM 1664 O OG . SER B 2 32 ? 5.103 18.700 1.851 1.00 46.53 ? 239 SER B OG 1 ATOM 1665 N N . VAL B 2 33 ? 3.509 19.546 6.025 1.00 34.60 ? 240 VAL B N 1 ATOM 1666 C CA . VAL B 2 33 ? 3.534 20.128 7.371 1.00 35.02 ? 240 VAL B CA 1 ATOM 1667 C C . VAL B 2 33 ? 4.672 19.575 8.239 1.00 33.62 ? 240 VAL B C 1 ATOM 1668 O O . VAL B 2 33 ? 4.898 18.365 8.287 1.00 35.41 ? 240 VAL B O 1 ATOM 1669 C CB . VAL B 2 33 ? 2.200 19.893 8.095 1.00 30.53 ? 240 VAL B CB 1 ATOM 1670 C CG1 . VAL B 2 33 ? 2.203 20.587 9.450 1.00 31.67 ? 240 VAL B CG1 1 ATOM 1671 C CG2 . VAL B 2 33 ? 1.055 20.392 7.236 1.00 32.71 ? 240 VAL B CG2 1 ATOM 1672 N N . PHE B 2 34 ? 5.384 20.462 8.919 1.00 29.62 ? 241 PHE B N 1 ATOM 1673 C CA . PHE B 2 34 ? 6.329 20.030 9.941 1.00 35.71 ? 241 PHE B CA 1 ATOM 1674 C C . PHE B 2 34 ? 6.025 20.708 11.266 1.00 35.77 ? 241 PHE B C 1 ATOM 1675 O O . PHE B 2 34 ? 5.863 21.933 11.322 1.00 36.82 ? 241 PHE B O 1 ATOM 1676 C CB . PHE B 2 34 ? 7.783 20.262 9.498 1.00 32.35 ? 241 PHE B CB 1 ATOM 1677 C CG . PHE B 2 34 ? 8.105 19.624 8.182 1.00 35.31 ? 241 PHE B CG 1 ATOM 1678 C CD1 . PHE B 2 34 ? 8.448 18.270 8.117 1.00 35.55 ? 241 PHE B CD1 1 ATOM 1679 C CD2 . PHE B 2 34 ? 8.020 20.353 7.001 1.00 32.61 ? 241 PHE B CD2 1 ATOM 1680 C CE1 . PHE B 2 34 ? 8.726 17.666 6.905 1.00 31.47 ? 241 PHE B CE1 1 ATOM 1681 C CE2 . PHE B 2 34 ? 8.292 19.750 5.783 1.00 35.18 ? 241 PHE B CE2 1 ATOM 1682 C CZ . PHE B 2 34 ? 8.647 18.409 5.736 1.00 34.80 ? 241 PHE B CZ 1 ATOM 1683 N N . LEU B 2 35 ? 5.937 19.896 12.319 1.00 34.00 ? 242 LEU B N 1 ATOM 1684 C CA . LEU B 2 35 ? 5.596 20.375 13.656 1.00 32.85 ? 242 LEU B CA 1 ATOM 1685 C C . LEU B 2 35 ? 6.753 20.239 14.665 1.00 33.74 ? 242 LEU B C 1 ATOM 1686 O O . LEU B 2 35 ? 7.128 19.139 15.045 1.00 35.62 ? 242 LEU B O 1 ATOM 1687 C CB . LEU B 2 35 ? 4.353 19.642 14.152 1.00 28.22 ? 242 LEU B CB 1 ATOM 1688 C CG . LEU B 2 35 ? 3.800 20.014 15.529 1.00 34.01 ? 242 LEU B CG 1 ATOM 1689 C CD1 . LEU B 2 35 ? 3.469 21.497 15.580 1.00 32.49 ? 242 LEU B CD1 1 ATOM 1690 C CD2 . LEU B 2 35 ? 2.578 19.159 15.857 1.00 29.83 ? 242 LEU B CD2 1 ATOM 1691 N N . PHE B 2 36 ? 7.278 21.369 15.116 1.00 34.58 ? 243 PHE B N 1 ATOM 1692 C CA . PHE B 2 36 ? 8.485 21.412 15.943 1.00 39.73 ? 243 PHE B CA 1 ATOM 1693 C C . PHE B 2 36 ? 8.228 21.703 17.423 1.00 44.86 ? 243 PHE B C 1 ATOM 1694 O O . PHE B 2 36 ? 7.400 22.556 17.756 1.00 49.32 ? 243 PHE B O 1 ATOM 1695 C CB . PHE B 2 36 ? 9.456 22.444 15.373 1.00 33.55 ? 243 PHE B CB 1 ATOM 1696 C CG . PHE B 2 36 ? 9.891 22.136 13.970 1.00 40.45 ? 243 PHE B CG 1 ATOM 1697 C CD1 . PHE B 2 36 ? 10.925 21.228 13.731 1.00 39.99 ? 243 PHE B CD1 1 ATOM 1698 C CD2 . PHE B 2 36 ? 9.259 22.735 12.880 1.00 38.54 ? 243 PHE B CD2 1 ATOM 1699 C CE1 . PHE B 2 36 ? 11.329 20.935 12.435 1.00 41.34 ? 243 PHE B CE1 1 ATOM 1700 C CE2 . PHE B 2 36 ? 9.658 22.444 11.584 1.00 44.15 ? 243 PHE B CE2 1 ATOM 1701 C CZ . PHE B 2 36 ? 10.693 21.542 11.358 1.00 41.40 ? 243 PHE B CZ 1 ATOM 1702 N N . PRO B 2 37 ? 8.961 21.008 18.318 1.00 47.45 ? 244 PRO B N 1 ATOM 1703 C CA . PRO B 2 37 ? 8.736 21.146 19.754 1.00 40.44 ? 244 PRO B CA 1 ATOM 1704 C C . PRO B 2 37 ? 9.338 22.441 20.237 1.00 37.21 ? 244 PRO B C 1 ATOM 1705 O O . PRO B 2 37 ? 10.017 23.117 19.472 1.00 50.60 ? 244 PRO B O 1 ATOM 1706 C CB . PRO B 2 37 ? 9.513 19.961 20.356 1.00 41.45 ? 244 PRO B CB 1 ATOM 1707 C CG . PRO B 2 37 ? 10.036 19.164 19.203 1.00 37.48 ? 244 PRO B CG 1 ATOM 1708 C CD . PRO B 2 37 ? 10.094 20.110 18.044 1.00 42.01 ? 244 PRO B CD 1 ATOM 1709 N N . PRO B 2 38 ? 9.081 22.801 21.494 1.00 30.38 ? 245 PRO B N 1 ATOM 1710 C CA . PRO B 2 38 ? 9.828 23.884 22.110 1.00 34.11 ? 245 PRO B CA 1 ATOM 1711 C C . PRO B 2 38 ? 11.259 23.433 22.441 1.00 37.84 ? 245 PRO B C 1 ATOM 1712 O O . PRO B 2 38 ? 11.536 22.232 22.490 1.00 41.95 ? 245 PRO B O 1 ATOM 1713 C CB . PRO B 2 38 ? 9.045 24.144 23.400 1.00 30.38 ? 245 PRO B CB 1 ATOM 1714 C CG . PRO B 2 38 ? 8.453 22.817 23.733 1.00 29.36 ? 245 PRO B CG 1 ATOM 1715 C CD . PRO B 2 38 ? 8.095 22.208 22.413 1.00 31.04 ? 245 PRO B CD 1 ATOM 1716 N N . LYS B 2 39 ? 12.154 24.382 22.677 1.00 37.34 ? 246 LYS B N 1 ATOM 1717 C CA . LYS B 2 39 ? 13.495 24.044 23.128 1.00 43.65 ? 246 LYS B CA 1 ATOM 1718 C C . LYS B 2 39 ? 13.445 23.558 24.579 1.00 44.78 ? 246 LYS B C 1 ATOM 1719 O O . LYS B 2 39 ? 12.746 24.149 25.409 1.00 48.47 ? 246 LYS B O 1 ATOM 1720 C CB . LYS B 2 39 ? 14.449 25.242 22.983 1.00 51.03 ? 246 LYS B CB 1 ATOM 1721 C CG . LYS B 2 39 ? 14.722 25.690 21.547 1.00 54.74 ? 246 LYS B CG 1 ATOM 1722 C CD . LYS B 2 39 ? 15.505 24.649 20.747 1.00 58.28 ? 246 LYS B CD 1 ATOM 1723 C CE . LYS B 2 39 ? 15.621 25.039 19.279 1.00 68.65 ? 246 LYS B CE 1 ATOM 1724 N NZ . LYS B 2 39 ? 14.299 25.110 18.582 1.00 63.12 ? 246 LYS B NZ 1 ATOM 1725 N N . PRO B 2 40 ? 14.168 22.464 24.884 1.00 48.04 ? 247 PRO B N 1 ATOM 1726 C CA . PRO B 2 40 ? 14.266 21.949 26.253 1.00 44.77 ? 247 PRO B CA 1 ATOM 1727 C C . PRO B 2 40 ? 14.491 23.050 27.290 1.00 46.56 ? 247 PRO B C 1 ATOM 1728 O O . PRO B 2 40 ? 13.763 23.125 28.291 1.00 46.27 ? 247 PRO B O 1 ATOM 1729 C CB . PRO B 2 40 ? 15.478 21.026 26.173 1.00 38.95 ? 247 PRO B CB 1 ATOM 1730 C CG . PRO B 2 40 ? 15.399 20.466 24.793 1.00 40.88 ? 247 PRO B CG 1 ATOM 1731 C CD . PRO B 2 40 ? 14.839 21.566 23.920 1.00 44.78 ? 247 PRO B CD 1 ATOM 1732 N N . LYS B 2 41 ? 15.474 23.910 27.036 1.00 46.44 ? 248 LYS B N 1 ATOM 1733 C CA . LYS B 2 41 ? 15.783 24.997 27.952 1.00 48.63 ? 248 LYS B CA 1 ATOM 1734 C C . LYS B 2 41 ? 14.538 25.866 28.169 1.00 53.05 ? 248 LYS B C 1 ATOM 1735 O O . LYS B 2 41 ? 14.227 26.235 29.310 1.00 49.65 ? 248 LYS B O 1 ATOM 1736 C CB . LYS B 2 41 ? 16.982 25.815 27.449 1.00 43.53 ? 248 LYS B CB 1 ATOM 1737 C CG . LYS B 2 41 ? 17.515 26.827 28.456 1.00 49.19 ? 248 LYS B CG 1 ATOM 1738 C CD . LYS B 2 41 ? 18.705 27.602 27.904 1.00 61.84 ? 248 LYS B CD 1 ATOM 1739 N N . ASP B 2 42 ? 13.819 26.153 27.079 1.00 46.98 ? 249 ASP B N 1 ATOM 1740 C CA . ASP B 2 42 ? 12.578 26.934 27.137 1.00 42.94 ? 249 ASP B CA 1 ATOM 1741 C C . ASP B 2 42 ? 11.518 26.289 28.028 1.00 42.86 ? 249 ASP B C 1 ATOM 1742 O O . ASP B 2 42 ? 10.835 26.996 28.762 1.00 45.03 ? 249 ASP B O 1 ATOM 1743 C CB . ASP B 2 42 ? 12.004 27.175 25.739 1.00 37.52 ? 249 ASP B CB 1 ATOM 1744 C CG . ASP B 2 42 ? 12.823 28.175 24.926 1.00 49.79 ? 249 ASP B CG 1 ATOM 1745 O OD1 . ASP B 2 42 ? 13.499 29.047 25.519 1.00 52.90 ? 249 ASP B OD1 1 ATOM 1746 O OD2 . ASP B 2 42 ? 12.782 28.099 23.678 1.00 45.80 ? 249 ASP B OD2 1 ATOM 1747 N N . THR B 2 43 ? 11.396 24.961 27.973 1.00 39.73 ? 250 THR B N 1 ATOM 1748 C CA . THR B 2 43 ? 10.407 24.229 28.788 1.00 39.35 ? 250 THR B CA 1 ATOM 1749 C C . THR B 2 43 ? 10.829 24.040 30.247 1.00 50.65 ? 250 THR B C 1 ATOM 1750 O O . THR B 2 43 ? 10.010 23.640 31.091 1.00 48.93 ? 250 THR B O 1 ATOM 1751 C CB . THR B 2 43 ? 10.091 22.827 28.221 1.00 40.14 ? 250 THR B CB 1 ATOM 1752 O OG1 . THR B 2 43 ? 11.295 22.053 28.126 1.00 53.51 ? 250 THR B OG1 1 ATOM 1753 C CG2 . THR B 2 43 ? 9.466 22.923 26.867 1.00 34.46 ? 250 THR B CG2 1 ATOM 1754 N N . LEU B 2 44 ? 12.101 24.308 30.547 1.00 51.66 ? 251 LEU B N 1 ATOM 1755 C CA . LEU B 2 44 ? 12.608 24.076 31.903 1.00 47.31 ? 251 LEU B CA 1 ATOM 1756 C C . LEU B 2 44 ? 12.790 25.357 32.713 1.00 48.71 ? 251 LEU B C 1 ATOM 1757 O O . LEU B 2 44 ? 12.701 25.337 33.940 1.00 48.75 ? 251 LEU B O 1 ATOM 1758 C CB . LEU B 2 44 ? 13.878 23.201 31.883 1.00 42.83 ? 251 LEU B CB 1 ATOM 1759 C CG . LEU B 2 44 ? 13.679 21.737 31.439 1.00 43.28 ? 251 LEU B CG 1 ATOM 1760 C CD1 . LEU B 2 44 ? 14.967 21.089 30.976 1.00 41.39 ? 251 LEU B CD1 1 ATOM 1761 C CD2 . LEU B 2 44 ? 13.016 20.871 32.506 1.00 50.16 ? 251 LEU B CD2 1 ATOM 1762 N N . GLU B 2 45 ? 13.009 26.473 32.021 1.00 48.82 ? 252 GLU B N 1 ATOM 1763 C CA . GLU B 2 45 ? 13.150 27.767 32.678 1.00 50.62 ? 252 GLU B CA 1 ATOM 1764 C C . GLU B 2 45 ? 11.875 28.613 32.667 1.00 52.24 ? 252 GLU B C 1 ATOM 1765 O O . GLU B 2 45 ? 11.373 29.020 31.610 1.00 51.01 ? 252 GLU B O 1 ATOM 1766 C CB . GLU B 2 45 ? 14.311 28.556 32.084 1.00 60.51 ? 252 GLU B CB 1 ATOM 1767 C CG . GLU B 2 45 ? 15.503 28.662 33.015 1.00 78.27 ? 252 GLU B CG 1 ATOM 1768 C CD . GLU B 2 45 ? 16.459 29.760 32.601 1.00 81.74 ? 252 GLU B CD 1 ATOM 1769 O OE1 . GLU B 2 45 ? 16.563 30.763 33.339 1.00 83.09 ? 252 GLU B OE1 1 ATOM 1770 O OE2 . GLU B 2 45 ? 17.091 29.624 31.534 1.00 71.12 ? 252 GLU B OE2 1 ATOM 1771 N N . ALA B 2 46 ? 11.383 28.893 33.867 1.00 48.63 ? 253 ALA B N 1 ATOM 1772 C CA . ALA B 2 46 ? 10.144 29.626 34.069 1.00 44.84 ? 253 ALA B CA 1 ATOM 1773 C C . ALA B 2 46 ? 10.119 30.980 33.365 1.00 48.75 ? 253 ALA B C 1 ATOM 1774 O O . ALA B 2 46 ? 9.073 31.399 32.875 1.00 68.07 ? 253 ALA B O 1 ATOM 1775 C CB . ALA B 2 46 ? 9.880 29.797 35.558 1.00 34.87 ? 253 ALA B CB 1 ATOM 1776 N N . SER B 2 47 ? 11.259 31.661 33.316 1.00 45.91 ? 254 SER B N 1 ATOM 1777 C CA . SER B 2 47 ? 11.330 32.989 32.695 1.00 45.92 ? 254 SER B CA 1 ATOM 1778 C C . SER B 2 47 ? 11.351 32.936 31.154 1.00 43.05 ? 254 SER B C 1 ATOM 1779 O O . SER B 2 47 ? 11.344 33.972 30.497 1.00 38.37 ? 254 SER B O 1 ATOM 1780 C CB . SER B 2 47 ? 12.536 33.779 33.231 1.00 40.05 ? 254 SER B CB 1 ATOM 1781 O OG . SER B 2 47 ? 13.764 33.276 32.710 1.00 45.00 ? 254 SER B OG 1 ATOM 1782 N N . ARG B 2 48 ? 11.371 31.730 30.592 1.00 46.43 ? 255 ARG B N 1 ATOM 1783 C CA . ARG B 2 48 ? 11.474 31.539 29.143 1.00 45.04 ? 255 ARG B CA 1 ATOM 1784 C C . ARG B 2 48 ? 10.153 31.119 28.493 1.00 43.76 ? 255 ARG B C 1 ATOM 1785 O O . ARG B 2 48 ? 9.287 30.534 29.146 1.00 34.45 ? 255 ARG B O 1 ATOM 1786 C CB . ARG B 2 48 ? 12.552 30.495 28.814 1.00 44.15 ? 255 ARG B CB 1 ATOM 1787 C CG . ARG B 2 48 ? 13.972 31.026 28.868 1.00 45.17 ? 255 ARG B CG 1 ATOM 1788 C CD . ARG B 2 48 ? 14.965 30.009 28.336 1.00 52.39 ? 255 ARG B CD 1 ATOM 1789 N NE . ARG B 2 48 ? 16.340 30.437 28.571 1.00 72.56 ? 255 ARG B NE 1 ATOM 1790 C CZ . ARG B 2 48 ? 17.008 31.308 27.816 1.00 73.55 ? 255 ARG B CZ 1 ATOM 1791 N NH1 . ARG B 2 48 ? 16.437 31.868 26.755 1.00 57.98 ? 255 ARG B NH1 1 ATOM 1792 N NH2 . ARG B 2 48 ? 18.257 31.621 28.132 1.00 78.46 ? 255 ARG B NH2 1 ATOM 1793 N N . THR B 2 49 ? 10.047 31.368 27.186 1.00 43.69 ? 256 THR B N 1 ATOM 1794 C CA . THR B 2 49 ? 8.822 31.136 26.426 1.00 39.68 ? 256 THR B CA 1 ATOM 1795 C C . THR B 2 49 ? 8.879 29.878 25.545 1.00 38.33 ? 256 THR B C 1 ATOM 1796 O O . THR B 2 49 ? 9.393 29.920 24.428 1.00 45.72 ? 256 THR B O 1 ATOM 1797 C CB . THR B 2 49 ? 8.465 32.387 25.589 1.00 35.99 ? 256 THR B CB 1 ATOM 1798 O OG1 . THR B 2 49 ? 8.164 33.466 26.480 1.00 34.75 ? 256 THR B OG1 1 ATOM 1799 C CG2 . THR B 2 49 ? 7.256 32.142 24.703 1.00 36.97 ? 256 THR B CG2 1 ATOM 1800 N N . PRO B 2 50 ? 8.326 28.757 26.042 1.00 36.61 ? 257 PRO B N 1 ATOM 1801 C CA . PRO B 2 50 ? 8.235 27.558 25.202 1.00 35.95 ? 257 PRO B CA 1 ATOM 1802 C C . PRO B 2 50 ? 7.175 27.712 24.111 1.00 41.51 ? 257 PRO B C 1 ATOM 1803 O O . PRO B 2 50 ? 6.097 28.248 24.374 1.00 48.26 ? 257 PRO B O 1 ATOM 1804 C CB . PRO B 2 50 ? 7.836 26.456 26.189 1.00 31.25 ? 257 PRO B CB 1 ATOM 1805 C CG . PRO B 2 50 ? 7.187 27.169 27.332 1.00 29.33 ? 257 PRO B CG 1 ATOM 1806 C CD . PRO B 2 50 ? 7.713 28.572 27.374 1.00 29.10 ? 257 PRO B CD 1 ATOM 1807 N N . GLU B 2 51 ? 7.486 27.244 22.902 1.00 37.11 ? 258 GLU B N 1 ATOM 1808 C CA . GLU B 2 51 ? 6.595 27.376 21.761 1.00 30.04 ? 258 GLU B CA 1 ATOM 1809 C C . GLU B 2 51 ? 6.555 26.094 20.939 1.00 35.79 ? 258 GLU B C 1 ATOM 1810 O O . GLU B 2 51 ? 7.595 25.550 20.596 1.00 44.73 ? 258 GLU B O 1 ATOM 1811 C CB . GLU B 2 51 ? 7.081 28.502 20.851 1.00 33.68 ? 258 GLU B CB 1 ATOM 1812 C CG . GLU B 2 51 ? 7.215 29.874 21.500 1.00 37.07 ? 258 GLU B CG 1 ATOM 1813 C CD . GLU B 2 51 ? 7.697 30.933 20.513 1.00 46.07 ? 258 GLU B CD 1 ATOM 1814 O OE1 . GLU B 2 51 ? 7.325 32.127 20.677 1.00 41.72 ? 258 GLU B OE1 1 ATOM 1815 O OE2 . GLU B 2 51 ? 8.430 30.568 19.557 1.00 36.70 ? 258 GLU B OE2 1 ATOM 1816 N N . VAL B 2 52 ? 5.358 25.611 20.610 1.00 34.03 ? 259 VAL B N 1 ATOM 1817 C CA . VAL B 2 52 ? 5.218 24.579 19.587 1.00 30.51 ? 259 VAL B CA 1 ATOM 1818 C C . VAL B 2 52 ? 5.038 25.292 18.237 1.00 31.38 ? 259 VAL B C 1 ATOM 1819 O O . VAL B 2 52 ? 4.440 26.366 18.186 1.00 34.30 ? 259 VAL B O 1 ATOM 1820 C CB . VAL B 2 52 ? 4.072 23.611 19.929 1.00 33.99 ? 259 VAL B CB 1 ATOM 1821 C CG1 . VAL B 2 52 ? 3.819 22.644 18.793 1.00 40.73 ? 259 VAL B CG1 1 ATOM 1822 C CG2 . VAL B 2 52 ? 4.437 22.796 21.156 1.00 41.13 ? 259 VAL B CG2 1 ATOM 1823 N N . THR B 2 53 ? 5.560 24.724 17.151 1.00 26.61 ? 260 THR B N 1 ATOM 1824 C CA . THR B 2 53 ? 5.678 25.484 15.908 1.00 27.96 ? 260 THR B CA 1 ATOM 1825 C C . THR B 2 53 ? 5.283 24.678 14.700 1.00 30.92 ? 260 THR B C 1 ATOM 1826 O O . THR B 2 53 ? 5.902 23.662 14.375 1.00 33.80 ? 260 THR B O 1 ATOM 1827 C CB . THR B 2 53 ? 7.109 26.046 15.713 1.00 29.76 ? 260 THR B CB 1 ATOM 1828 O OG1 . THR B 2 53 ? 7.403 26.954 16.775 1.00 36.89 ? 260 THR B OG1 1 ATOM 1829 C CG2 . THR B 2 53 ? 7.238 26.806 14.406 1.00 33.15 ? 260 THR B CG2 1 ATOM 1830 N N . CYS B 2 54 ? 4.252 25.151 14.018 1.00 27.28 ? 261 CYS B N 1 ATOM 1831 C CA . CYS B 2 54 ? 3.712 24.423 12.897 1.00 29.04 ? 261 CYS B CA 1 ATOM 1832 C C . CYS B 2 54 ? 4.081 25.144 11.606 1.00 27.44 ? 261 CYS B C 1 ATOM 1833 O O . CYS B 2 54 ? 3.744 26.312 11.411 1.00 32.07 ? 261 CYS B O 1 ATOM 1834 C CB . CYS B 2 54 ? 2.191 24.279 13.048 1.00 32.29 ? 261 CYS B CB 1 ATOM 1835 S SG . CYS B 2 54 ? 1.459 22.986 12.014 1.00 42.44 ? 261 CYS B SG 1 ATOM 1836 N N . VAL B 2 55 ? 4.774 24.445 10.725 1.00 21.43 ? 262 VAL B N 1 ATOM 1837 C CA . VAL B 2 55 ? 5.328 25.077 9.553 1.00 22.95 ? 262 VAL B CA 1 ATOM 1838 C C . VAL B 2 55 ? 4.708 24.369 8.390 1.00 23.98 ? 262 VAL B C 1 ATOM 1839 O O . VAL B 2 55 ? 4.790 23.137 8.286 1.00 29.57 ? 262 VAL B O 1 ATOM 1840 C CB . VAL B 2 55 ? 6.882 24.906 9.471 1.00 25.70 ? 262 VAL B CB 1 ATOM 1841 C CG1 . VAL B 2 55 ? 7.458 25.586 8.217 1.00 20.34 ? 262 VAL B CG1 1 ATOM 1842 C CG2 . VAL B 2 55 ? 7.575 25.400 10.744 1.00 19.95 ? 262 VAL B CG2 1 ATOM 1843 N N . VAL B 2 56 ? 4.091 25.144 7.512 1.00 25.14 ? 263 VAL B N 1 ATOM 1844 C CA . VAL B 2 56 ? 3.537 24.601 6.279 1.00 26.73 ? 263 VAL B CA 1 ATOM 1845 C C . VAL B 2 56 ? 4.406 25.111 5.160 1.00 28.16 ? 263 VAL B C 1 ATOM 1846 O O . VAL B 2 56 ? 4.670 26.317 5.076 1.00 33.87 ? 263 VAL B O 1 ATOM 1847 C CB . VAL B 2 56 ? 2.072 25.058 6.073 1.00 29.17 ? 263 VAL B CB 1 ATOM 1848 C CG1 . VAL B 2 56 ? 1.407 24.349 4.885 1.00 19.27 ? 263 VAL B CG1 1 ATOM 1849 C CG2 . VAL B 2 56 ? 1.277 24.841 7.362 1.00 30.62 ? 263 VAL B CG2 1 ATOM 1850 N N . VAL B 2 57 ? 4.863 24.187 4.324 1.00 27.03 ? 264 VAL B N 1 ATOM 1851 C CA . VAL B 2 57 ? 5.684 24.528 3.163 1.00 36.13 ? 264 VAL B CA 1 ATOM 1852 C C . VAL B 2 57 ? 5.064 23.973 1.893 1.00 37.77 ? 264 VAL B C 1 ATOM 1853 O O . VAL B 2 57 ? 4.177 23.129 1.951 1.00 34.58 ? 264 VAL B O 1 ATOM 1854 C CB . VAL B 2 57 ? 7.159 24.040 3.292 1.00 42.49 ? 264 VAL B CB 1 ATOM 1855 C CG1 . VAL B 2 57 ? 7.903 24.833 4.366 1.00 34.71 ? 264 VAL B CG1 1 ATOM 1856 C CG2 . VAL B 2 57 ? 7.235 22.536 3.543 1.00 37.70 ? 264 VAL B CG2 1 ATOM 1857 N N . ASP B 2 58 ? 5.550 24.450 0.751 1.00 38.90 ? 265 ASP B N 1 ATOM 1858 C CA . ASP B 2 58 ? 5.032 24.068 -0.562 1.00 36.87 ? 265 ASP B CA 1 ATOM 1859 C C . ASP B 2 58 ? 3.592 24.524 -0.794 1.00 37.42 ? 265 ASP B C 1 ATOM 1860 O O . ASP B 2 58 ? 2.811 23.846 -1.462 1.00 40.23 ? 265 ASP B O 1 ATOM 1861 C CB . ASP B 2 58 ? 5.244 22.574 -0.841 1.00 35.76 ? 265 ASP B CB 1 ATOM 1862 C CG . ASP B 2 58 ? 6.723 22.220 -1.015 1.00 41.72 ? 265 ASP B CG 1 ATOM 1863 O OD1 . ASP B 2 58 ? 7.531 23.148 -1.226 1.00 46.79 ? 265 ASP B OD1 1 ATOM 1864 O OD2 . ASP B 2 58 ? 7.085 21.024 -0.947 1.00 41.95 ? 265 ASP B OD2 1 ATOM 1865 N N . VAL B 2 59 ? 3.264 25.687 -0.235 1.00 34.53 ? 266 VAL B N 1 ATOM 1866 C CA . VAL B 2 59 ? 1.998 26.364 -0.498 1.00 33.45 ? 266 VAL B CA 1 ATOM 1867 C C . VAL B 2 59 ? 2.113 27.027 -1.857 1.00 33.86 ? 266 VAL B C 1 ATOM 1868 O O . VAL B 2 59 ? 2.998 27.856 -2.069 1.00 53.44 ? 266 VAL B O 1 ATOM 1869 C CB . VAL B 2 59 ? 1.720 27.472 0.550 1.00 30.53 ? 266 VAL B CB 1 ATOM 1870 C CG1 . VAL B 2 59 ? 0.504 28.294 0.163 1.00 28.78 ? 266 VAL B CG1 1 ATOM 1871 C CG2 . VAL B 2 59 ? 1.542 26.888 1.937 1.00 29.02 ? 266 VAL B CG2 1 ATOM 1872 N N . SER B 2 60 ? 1.215 26.686 -2.770 1.00 34.58 ? 267 SER B N 1 ATOM 1873 C CA . SER B 2 60 ? 1.250 27.237 -4.127 1.00 32.11 ? 267 SER B CA 1 ATOM 1874 C C . SER B 2 60 ? 0.813 28.698 -4.151 1.00 33.94 ? 267 SER B C 1 ATOM 1875 O O . SER B 2 60 ? 0.260 29.209 -3.173 1.00 30.11 ? 267 SER B O 1 ATOM 1876 C CB . SER B 2 60 ? 0.373 26.413 -5.064 1.00 32.22 ? 267 SER B CB 1 ATOM 1877 O OG . SER B 2 60 ? -0.984 26.802 -4.913 1.00 50.60 ? 267 SER B OG 1 ATOM 1878 N N . HIS B 2 61 ? 1.079 29.368 -5.270 1.00 40.70 ? 268 HIS B N 1 ATOM 1879 C CA . HIS B 2 61 ? 0.695 30.761 -5.438 1.00 43.01 ? 268 HIS B CA 1 ATOM 1880 C C . HIS B 2 61 ? -0.736 30.890 -5.874 1.00 46.91 ? 268 HIS B C 1 ATOM 1881 O O . HIS B 2 61 ? -1.400 31.895 -5.587 1.00 39.01 ? 268 HIS B O 1 ATOM 1882 C CB . HIS B 2 61 ? 1.627 31.446 -6.418 1.00 46.10 ? 268 HIS B CB 1 ATOM 1883 C CG . HIS B 2 61 ? 2.977 31.783 -5.826 1.00 65.68 ? 268 HIS B CG 1 ATOM 1884 N ND1 . HIS B 2 61 ? 4.003 30.904 -5.802 1.00 57.60 ? 268 HIS B ND1 1 ATOM 1885 C CD2 . HIS B 2 61 ? 3.441 32.952 -5.211 1.00 60.13 ? 268 HIS B CD2 1 ATOM 1886 C CE1 . HIS B 2 61 ? 5.066 31.482 -5.204 1.00 56.51 ? 268 HIS B CE1 1 ATOM 1887 N NE2 . HIS B 2 61 ? 4.717 32.733 -4.838 1.00 50.93 ? 268 HIS B NE2 1 ATOM 1888 N N . GLU B 2 62 ? -1.241 29.864 -6.553 1.00 49.82 ? 269 GLU B N 1 ATOM 1889 C CA . GLU B 2 62 ? -2.631 29.890 -7.019 1.00 56.33 ? 269 GLU B CA 1 ATOM 1890 C C . GLU B 2 62 ? -3.630 29.545 -5.912 1.00 50.61 ? 269 GLU B C 1 ATOM 1891 O O . GLU B 2 62 ? -4.796 29.918 -5.998 1.00 56.78 ? 269 GLU B O 1 ATOM 1892 C CB . GLU B 2 62 ? -2.839 29.036 -8.282 1.00 53.43 ? 269 GLU B CB 1 ATOM 1893 C CG . GLU B 2 62 ? -2.108 27.694 -8.303 1.00 72.85 ? 269 GLU B CG 1 ATOM 1894 C CD . GLU B 2 62 ? -0.653 27.786 -8.759 1.00 69.18 ? 269 GLU B CD 1 ATOM 1895 O OE1 . GLU B 2 62 ? 0.056 26.763 -8.644 1.00 64.05 ? 269 GLU B OE1 1 ATOM 1896 O OE2 . GLU B 2 62 ? -0.212 28.861 -9.231 1.00 55.00 ? 269 GLU B OE2 1 ATOM 1897 N N . ASP B 2 63 ? -3.160 28.871 -4.863 1.00 53.17 ? 270 ASP B N 1 ATOM 1898 C CA . ASP B 2 63 ? -4.007 28.523 -3.716 1.00 49.64 ? 270 ASP B CA 1 ATOM 1899 C C . ASP B 2 63 ? -3.358 28.859 -2.362 1.00 39.10 ? 270 ASP B C 1 ATOM 1900 O O . ASP B 2 63 ? -3.125 27.980 -1.531 1.00 46.67 ? 270 ASP B O 1 ATOM 1901 C CB . ASP B 2 63 ? -4.425 27.044 -3.797 1.00 52.89 ? 270 ASP B CB 1 ATOM 1902 C CG . ASP B 2 63 ? -5.501 26.794 -4.858 1.00 58.25 ? 270 ASP B CG 1 ATOM 1903 O OD1 . ASP B 2 63 ? -5.257 26.005 -5.792 1.00 62.05 ? 270 ASP B OD1 1 ATOM 1904 O OD2 . ASP B 2 63 ? -6.592 27.394 -4.762 1.00 67.77 ? 270 ASP B OD2 1 ATOM 1905 N N . PRO B 2 64 ? -3.092 30.147 -2.117 1.00 38.30 ? 271 PRO B N 1 ATOM 1906 C CA . PRO B 2 64 ? -2.202 30.509 -0.999 1.00 40.59 ? 271 PRO B CA 1 ATOM 1907 C C . PRO B 2 64 ? -2.793 30.447 0.405 1.00 38.88 ? 271 PRO B C 1 ATOM 1908 O O . PRO B 2 64 ? -2.049 30.574 1.376 1.00 50.85 ? 271 PRO B O 1 ATOM 1909 C CB . PRO B 2 64 ? -1.826 31.957 -1.317 1.00 32.73 ? 271 PRO B CB 1 ATOM 1910 C CG . PRO B 2 64 ? -3.032 32.489 -2.011 1.00 37.66 ? 271 PRO B CG 1 ATOM 1911 C CD . PRO B 2 64 ? -3.609 31.338 -2.812 1.00 40.89 ? 271 PRO B CD 1 ATOM 1912 N N . GLU B 2 65 ? -4.105 30.280 0.525 1.00 48.15 ? 272 GLU B N 1 ATOM 1913 C CA . GLU B 2 65 ? -4.757 30.427 1.830 1.00 44.42 ? 272 GLU B CA 1 ATOM 1914 C C . GLU B 2 65 ? -4.577 29.179 2.667 1.00 40.64 ? 272 GLU B C 1 ATOM 1915 O O . GLU B 2 65 ? -4.737 28.058 2.167 1.00 36.51 ? 272 GLU B O 1 ATOM 1916 C CB . GLU B 2 65 ? -6.239 30.766 1.682 1.00 43.92 ? 272 GLU B CB 1 ATOM 1917 C CG . GLU B 2 65 ? -6.519 32.164 1.147 1.00 53.73 ? 272 GLU B CG 1 ATOM 1918 C CD . GLU B 2 65 ? -8.012 32.461 1.036 1.00 63.51 ? 272 GLU B CD 1 ATOM 1919 O OE1 . GLU B 2 65 ? -8.716 31.728 0.304 1.00 64.81 ? 272 GLU B OE1 1 ATOM 1920 O OE2 . GLU B 2 65 ? -8.483 33.429 1.680 1.00 56.17 ? 272 GLU B OE2 1 ATOM 1921 N N . VAL B 2 66 ? -4.220 29.372 3.937 1.00 30.85 ? 273 VAL B N 1 ATOM 1922 C CA . VAL B 2 66 ? -3.991 28.242 4.824 1.00 32.50 ? 273 VAL B CA 1 ATOM 1923 C C . VAL B 2 66 ? -4.761 28.422 6.123 1.00 33.67 ? 273 VAL B C 1 ATOM 1924 O O . VAL B 2 66 ? -4.759 29.511 6.705 1.00 37.08 ? 273 VAL B O 1 ATOM 1925 C CB . VAL B 2 66 ? -2.483 28.010 5.079 1.00 34.44 ? 273 VAL B CB 1 ATOM 1926 C CG1 . VAL B 2 66 ? -2.258 26.900 6.095 1.00 31.86 ? 273 VAL B CG1 1 ATOM 1927 C CG2 . VAL B 2 66 ? -1.775 27.681 3.771 1.00 29.11 ? 273 VAL B CG2 1 ATOM 1928 N N . LYS B 2 67 ? -5.438 27.363 6.565 1.00 29.94 ? 274 LYS B N 1 ATOM 1929 C CA . LYS B 2 67 ? -6.186 27.423 7.812 1.00 31.81 ? 274 LYS B CA 1 ATOM 1930 C C . LYS B 2 67 ? -5.482 26.536 8.815 1.00 30.62 ? 274 LYS B C 1 ATOM 1931 O O . LYS B 2 67 ? -5.093 25.397 8.473 1.00 27.27 ? 274 LYS B O 1 ATOM 1932 C CB . LYS B 2 67 ? -7.651 26.976 7.612 1.00 39.48 ? 274 LYS B CB 1 ATOM 1933 C CG . LYS B 2 67 ? -8.572 27.200 8.816 1.00 31.46 ? 274 LYS B CG 1 ATOM 1934 C CD . LYS B 2 67 ? -10.036 26.909 8.484 1.00 48.68 ? 274 LYS B CD 1 ATOM 1935 C CE . LYS B 2 67 ? -10.517 25.526 8.927 1.00 56.34 ? 274 LYS B CE 1 ATOM 1936 N NZ . LYS B 2 67 ? -10.707 24.499 7.861 1.00 53.19 ? 274 LYS B NZ 1 ATOM 1937 N N . PHE B 2 68 ? -5.310 27.062 10.035 1.00 25.82 ? 275 PHE B N 1 ATOM 1938 C CA . PHE B 2 68 ? -4.744 26.296 11.156 1.00 28.49 ? 275 PHE B CA 1 ATOM 1939 C C . PHE B 2 68 ? -5.798 26.052 12.212 1.00 31.23 ? 275 PHE B C 1 ATOM 1940 O O . PHE B 2 68 ? -6.504 26.980 12.612 1.00 28.94 ? 275 PHE B O 1 ATOM 1941 C CB . PHE B 2 68 ? -3.609 27.067 11.839 1.00 29.95 ? 275 PHE B CB 1 ATOM 1942 C CG . PHE B 2 68 ? -2.358 27.166 11.027 1.00 30.36 ? 275 PHE B CG 1 ATOM 1943 C CD1 . PHE B 2 68 ? -2.089 28.314 10.286 1.00 29.21 ? 275 PHE B CD1 1 ATOM 1944 C CD2 . PHE B 2 68 ? -1.429 26.117 11.016 1.00 28.34 ? 275 PHE B CD2 1 ATOM 1945 C CE1 . PHE B 2 68 ? -0.919 28.414 9.536 1.00 29.58 ? 275 PHE B CE1 1 ATOM 1946 C CE2 . PHE B 2 68 ? -0.259 26.218 10.266 1.00 23.15 ? 275 PHE B CE2 1 ATOM 1947 C CZ . PHE B 2 68 ? -0.005 27.364 9.528 1.00 23.05 ? 275 PHE B CZ 1 ATOM 1948 N N . ASN B 2 69 ? -5.906 24.809 12.665 1.00 34.78 ? 276 ASN B N 1 ATOM 1949 C CA . ASN B 2 69 ? -6.637 24.515 13.898 1.00 37.19 ? 276 ASN B CA 1 ATOM 1950 C C . ASN B 2 69 ? -5.680 23.828 14.857 1.00 35.87 ? 276 ASN B C 1 ATOM 1951 O O . ASN B 2 69 ? -4.954 22.903 14.465 1.00 39.19 ? 276 ASN B O 1 ATOM 1952 C CB . ASN B 2 69 ? -7.858 23.618 13.647 1.00 39.39 ? 276 ASN B CB 1 ATOM 1953 C CG . ASN B 2 69 ? -8.926 24.290 12.805 1.00 43.55 ? 276 ASN B CG 1 ATOM 1954 O OD1 . ASN B 2 69 ? -8.954 24.133 11.583 1.00 41.37 ? 276 ASN B OD1 1 ATOM 1955 N ND2 . ASN B 2 69 ? -9.820 25.030 13.454 1.00 38.60 ? 276 ASN B ND2 1 ATOM 1956 N N . TRP B 2 70 ? -5.686 24.289 16.103 1.00 32.23 ? 277 TRP B N 1 ATOM 1957 C CA . TRP B 2 70 ? -4.823 23.766 17.153 1.00 35.90 ? 277 TRP B CA 1 ATOM 1958 C C . TRP B 2 70 ? -5.600 23.067 18.238 1.00 42.57 ? 277 TRP B C 1 ATOM 1959 O O . TRP B 2 70 ? -6.646 23.551 18.668 1.00 48.06 ? 277 TRP B O 1 ATOM 1960 C CB . TRP B 2 70 ? -4.082 24.911 17.791 1.00 34.04 ? 277 TRP B CB 1 ATOM 1961 C CG . TRP B 2 70 ? -2.924 25.456 17.004 1.00 35.94 ? 277 TRP B CG 1 ATOM 1962 C CD1 . TRP B 2 70 ? -2.900 26.597 16.196 1.00 30.18 ? 277 TRP B CD1 1 ATOM 1963 C CD2 . TRP B 2 70 ? -1.557 24.935 16.970 1.00 33.42 ? 277 TRP B CD2 1 ATOM 1964 N NE1 . TRP B 2 70 ? -1.652 26.801 15.678 1.00 27.90 ? 277 TRP B NE1 1 ATOM 1965 C CE2 . TRP B 2 70 ? -0.797 25.836 16.100 1.00 33.80 ? 277 TRP B CE2 1 ATOM 1966 C CE3 . TRP B 2 70 ? -0.907 23.858 17.562 1.00 40.17 ? 277 TRP B CE3 1 ATOM 1967 C CZ2 . TRP B 2 70 ? 0.551 25.640 15.843 1.00 38.93 ? 277 TRP B CZ2 1 ATOM 1968 C CZ3 . TRP B 2 70 ? 0.457 23.669 17.298 1.00 34.92 ? 277 TRP B CZ3 1 ATOM 1969 C CH2 . TRP B 2 70 ? 1.165 24.537 16.458 1.00 39.87 ? 277 TRP B CH2 1 ATOM 1970 N N . TYR B 2 71 ? -5.081 21.938 18.713 1.00 40.68 ? 278 TYR B N 1 ATOM 1971 C CA . TYR B 2 71 ? -5.694 21.204 19.824 1.00 37.65 ? 278 TYR B CA 1 ATOM 1972 C C . TYR B 2 71 ? -4.656 20.848 20.894 1.00 41.54 ? 278 TYR B C 1 ATOM 1973 O O . TYR B 2 71 ? -3.482 20.645 20.583 1.00 41.08 ? 278 TYR B O 1 ATOM 1974 C CB . TYR B 2 71 ? -6.359 19.931 19.314 1.00 38.65 ? 278 TYR B CB 1 ATOM 1975 C CG . TYR B 2 71 ? -7.292 20.154 18.146 1.00 50.53 ? 278 TYR B CG 1 ATOM 1976 C CD1 . TYR B 2 71 ? -6.801 20.214 16.840 1.00 47.64 ? 278 TYR B CD1 1 ATOM 1977 C CD2 . TYR B 2 71 ? -8.666 20.305 18.342 1.00 48.42 ? 278 TYR B CD2 1 ATOM 1978 C CE1 . TYR B 2 71 ? -7.648 20.430 15.766 1.00 45.85 ? 278 TYR B CE1 1 ATOM 1979 C CE2 . TYR B 2 71 ? -9.519 20.516 17.272 1.00 46.07 ? 278 TYR B CE2 1 ATOM 1980 C CZ . TYR B 2 71 ? -9.003 20.576 15.988 1.00 45.57 ? 278 TYR B CZ 1 ATOM 1981 O OH . TYR B 2 71 ? -9.837 20.785 14.915 1.00 46.83 ? 278 TYR B OH 1 ATOM 1982 N N . VAL B 2 72 ? -5.105 20.780 22.146 1.00 39.11 ? 279 VAL B N 1 ATOM 1983 C CA . VAL B 2 72 ? -4.288 20.357 23.292 1.00 32.24 ? 279 VAL B CA 1 ATOM 1984 C C . VAL B 2 72 ? -5.108 19.289 23.987 1.00 34.27 ? 279 VAL B C 1 ATOM 1985 O O . VAL B 2 72 ? -6.194 19.584 24.483 1.00 40.94 ? 279 VAL B O 1 ATOM 1986 C CB . VAL B 2 72 ? -4.050 21.515 24.280 1.00 31.18 ? 279 VAL B CB 1 ATOM 1987 C CG1 . VAL B 2 72 ? -3.361 21.021 25.546 1.00 27.52 ? 279 VAL B CG1 1 ATOM 1988 C CG2 . VAL B 2 72 ? -3.268 22.643 23.621 1.00 25.32 ? 279 VAL B CG2 1 ATOM 1989 N N . ASP B 2 73 ? -4.606 18.055 23.997 1.00 37.25 ? 280 ASP B N 1 ATOM 1990 C CA . ASP B 2 73 ? -5.377 16.878 24.435 1.00 39.32 ? 280 ASP B CA 1 ATOM 1991 C C . ASP B 2 73 ? -6.775 16.785 23.819 1.00 46.73 ? 280 ASP B C 1 ATOM 1992 O O . ASP B 2 73 ? -7.761 16.600 24.539 1.00 54.58 ? 280 ASP B O 1 ATOM 1993 C CB . ASP B 2 73 ? -5.491 16.828 25.961 1.00 41.66 ? 280 ASP B CB 1 ATOM 1994 C CG . ASP B 2 73 ? -4.242 16.285 26.625 1.00 52.12 ? 280 ASP B CG 1 ATOM 1995 O OD1 . ASP B 2 73 ? -3.398 15.674 25.926 1.00 46.94 ? 280 ASP B OD1 1 ATOM 1996 O OD2 . ASP B 2 73 ? -4.115 16.472 27.854 1.00 51.75 ? 280 ASP B OD2 1 ATOM 1997 N N . GLY B 2 74 ? -6.856 16.926 22.496 1.00 42.73 ? 281 GLY B N 1 ATOM 1998 C CA . GLY B 2 74 ? -8.140 16.897 21.774 1.00 41.21 ? 281 GLY B CA 1 ATOM 1999 C C . GLY B 2 74 ? -9.055 18.116 21.926 1.00 45.62 ? 281 GLY B C 1 ATOM 2000 O O . GLY B 2 74 ? -10.079 18.209 21.248 1.00 55.38 ? 281 GLY B O 1 ATOM 2001 N N . VAL B 2 75 ? -8.701 19.050 22.806 1.00 35.42 ? 282 VAL B N 1 ATOM 2002 C CA . VAL B 2 75 ? -9.523 20.236 23.030 1.00 35.91 ? 282 VAL B CA 1 ATOM 2003 C C . VAL B 2 75 ? -8.961 21.396 22.238 1.00 38.27 ? 282 VAL B C 1 ATOM 2004 O O . VAL B 2 75 ? -7.831 21.819 22.480 1.00 48.54 ? 282 VAL B O 1 ATOM 2005 C CB . VAL B 2 75 ? -9.557 20.654 24.521 1.00 36.04 ? 282 VAL B CB 1 ATOM 2006 C CG1 . VAL B 2 75 ? -10.512 21.821 24.733 1.00 28.58 ? 282 VAL B CG1 1 ATOM 2007 C CG2 . VAL B 2 75 ? -9.947 19.478 25.404 1.00 40.55 ? 282 VAL B CG2 1 ATOM 2008 N N . GLU B 2 76 ? -9.753 21.920 21.308 1.00 33.18 ? 283 GLU B N 1 ATOM 2009 C CA . GLU B 2 76 ? -9.332 23.059 20.501 1.00 30.90 ? 283 GLU B CA 1 ATOM 2010 C C . GLU B 2 76 ? -8.945 24.296 21.335 1.00 34.90 ? 283 GLU B C 1 ATOM 2011 O O . GLU B 2 76 ? -9.587 24.622 22.341 1.00 35.74 ? 283 GLU B O 1 ATOM 2012 C CB . GLU B 2 76 ? -10.395 23.397 19.454 1.00 30.83 ? 283 GLU B CB 1 ATOM 2013 C CG . GLU B 2 76 ? -10.036 24.588 18.581 1.00 38.91 ? 283 GLU B CG 1 ATOM 2014 C CD . GLU B 2 76 ? -10.680 24.554 17.211 1.00 45.95 ? 283 GLU B CD 1 ATOM 2015 O OE1 . GLU B 2 76 ? -11.703 23.849 17.030 1.00 46.23 ? 283 GLU B OE1 1 ATOM 2016 O OE2 . GLU B 2 76 ? -10.154 25.244 16.312 1.00 37.95 ? 283 GLU B OE2 1 ATOM 2017 N N . VAL B 2 77 ? -7.866 24.956 20.924 1.00 35.94 ? 284 VAL B N 1 ATOM 2018 C CA . VAL B 2 77 ? -7.435 26.202 21.556 1.00 37.04 ? 284 VAL B CA 1 ATOM 2019 C C . VAL B 2 77 ? -7.312 27.284 20.498 1.00 39.01 ? 284 VAL B C 1 ATOM 2020 O O . VAL B 2 77 ? -7.073 26.980 19.325 1.00 32.71 ? 284 VAL B O 1 ATOM 2021 C CB . VAL B 2 77 ? -6.118 26.047 22.350 1.00 37.09 ? 284 VAL B CB 1 ATOM 2022 C CG1 . VAL B 2 77 ? -6.328 25.115 23.542 1.00 28.32 ? 284 VAL B CG1 1 ATOM 2023 C CG2 . VAL B 2 77 ? -4.970 25.574 21.449 1.00 32.38 ? 284 VAL B CG2 1 ATOM 2024 N N . HIS B 2 78 ? -7.464 28.540 20.921 1.00 40.33 ? 285 HIS B N 1 ATOM 2025 C CA . HIS B 2 78 ? -7.728 29.630 19.983 1.00 36.80 ? 285 HIS B CA 1 ATOM 2026 C C . HIS B 2 78 ? -6.730 30.731 19.960 1.00 38.03 ? 285 HIS B C 1 ATOM 2027 O O . HIS B 2 78 ? -6.913 31.705 19.228 1.00 34.81 ? 285 HIS B O 1 ATOM 2028 C CB . HIS B 2 78 ? -9.138 30.161 20.213 1.00 37.71 ? 285 HIS B CB 1 ATOM 2029 C CG . HIS B 2 78 ? -10.191 29.082 20.107 1.00 37.89 ? 285 HIS B CG 1 ATOM 2030 N ND1 . HIS B 2 78 ? -10.849 28.600 21.179 1.00 32.83 ? 285 HIS B ND1 1 ATOM 2031 C CD2 . HIS B 2 78 ? -10.627 28.343 19.012 1.00 31.14 ? 285 HIS B CD2 1 ATOM 2032 C CE1 . HIS B 2 78 ? -11.678 27.616 20.788 1.00 27.39 ? 285 HIS B CE1 1 ATOM 2033 N NE2 . HIS B 2 78 ? -11.539 27.458 19.465 1.00 30.83 ? 285 HIS B NE2 1 ATOM 2034 N N . ASN B 2 79 ? -5.645 30.581 20.718 1.00 35.36 ? 286 ASN B N 1 ATOM 2035 C CA . ASN B 2 79 ? -4.709 31.685 20.910 1.00 33.29 ? 286 ASN B CA 1 ATOM 2036 C C . ASN B 2 79 ? -3.342 31.525 20.243 1.00 36.64 ? 286 ASN B C 1 ATOM 2037 O O . ASN B 2 79 ? -2.358 32.147 20.657 1.00 43.65 ? 286 ASN B O 1 ATOM 2038 C CB . ASN B 2 79 ? -4.560 32.014 22.400 1.00 37.05 ? 286 ASN B CB 1 ATOM 2039 C CG . ASN B 2 79 ? -4.058 30.843 23.222 1.00 38.04 ? 286 ASN B CG 1 ATOM 2040 O OD1 . ASN B 2 79 ? -4.245 29.675 22.875 1.00 52.12 ? 286 ASN B OD1 1 ATOM 2041 N ND2 . ASN B 2 79 ? -3.421 31.155 24.333 1.00 43.96 ? 286 ASN B ND2 1 ATOM 2042 N N . ALA B 2 80 ? -3.277 30.713 19.197 1.00 31.98 ? 287 ALA B N 1 ATOM 2043 C CA . ALA B 2 80 ? -2.033 30.576 18.456 1.00 28.54 ? 287 ALA B CA 1 ATOM 2044 C C . ALA B 2 80 ? -1.796 31.838 17.645 1.00 30.32 ? 287 ALA B C 1 ATOM 2045 O O . ALA B 2 80 ? -2.746 32.489 17.231 1.00 29.78 ? 287 ALA B O 1 ATOM 2046 C CB . ALA B 2 80 ? -2.068 29.350 17.563 1.00 26.68 ? 287 ALA B CB 1 ATOM 2047 N N . LYS B 2 81 ? -0.530 32.200 17.451 1.00 32.74 ? 288 LYS B N 1 ATOM 2048 C CA . LYS B 2 81 ? -0.200 33.351 16.629 1.00 34.97 ? 288 LYS B CA 1 ATOM 2049 C C . LYS B 2 81 ? 0.231 32.819 15.276 1.00 40.81 ? 288 LYS B C 1 ATOM 2050 O O . LYS B 2 81 ? 1.198 32.052 15.181 1.00 52.98 ? 288 LYS B O 1 ATOM 2051 C CB . LYS B 2 81 ? 0.915 34.195 17.259 1.00 33.29 ? 288 LYS B CB 1 ATOM 2052 C CG . LYS B 2 81 ? 0.585 34.811 18.610 1.00 47.85 ? 288 LYS B CG 1 ATOM 2053 C CD . LYS B 2 81 ? -0.036 36.199 18.487 1.00 55.83 ? 288 LYS B CD 1 ATOM 2054 N N . THR B 2 82 ? -0.506 33.203 14.237 1.00 37.17 ? 289 THR B N 1 ATOM 2055 C CA . THR B 2 82 ? -0.166 32.820 12.874 1.00 32.73 ? 289 THR B CA 1 ATOM 2056 C C . THR B 2 82 ? 0.373 33.997 12.114 1.00 34.28 ? 289 THR B C 1 ATOM 2057 O O . THR B 2 82 ? -0.177 35.092 12.182 1.00 38.13 ? 289 THR B O 1 ATOM 2058 C CB . THR B 2 82 ? -1.358 32.244 12.127 1.00 29.08 ? 289 THR B CB 1 ATOM 2059 O OG1 . THR B 2 82 ? -1.757 31.019 12.765 1.00 28.92 ? 289 THR B OG1 1 ATOM 2060 C CG2 . THR B 2 82 ? -0.981 31.974 10.686 1.00 24.38 ? 289 THR B CG2 1 ATOM 2061 N N . LYS B 2 83 ? 1.468 33.759 11.403 1.00 37.14 ? 290 LYS B N 1 ATOM 2062 C CA . LYS B 2 83 ? 2.207 34.813 10.740 1.00 38.38 ? 290 LYS B CA 1 ATOM 2063 C C . LYS B 2 83 ? 1.787 34.869 9.280 1.00 41.84 ? 290 LYS B C 1 ATOM 2064 O O . LYS B 2 83 ? 1.334 33.862 8.728 1.00 41.86 ? 290 LYS B O 1 ATOM 2065 C CB . LYS B 2 83 ? 3.702 34.554 10.875 1.00 42.39 ? 290 LYS B CB 1 ATOM 2066 C CG . LYS B 2 83 ? 4.254 34.953 12.228 1.00 58.45 ? 290 LYS B CG 1 ATOM 2067 C CD . LYS B 2 83 ? 5.559 34.238 12.541 1.00 77.69 ? 290 LYS B CD 1 ATOM 2068 C CE . LYS B 2 83 ? 6.058 34.599 13.934 1.00 79.53 ? 290 LYS B CE 1 ATOM 2069 N NZ . LYS B 2 83 ? 7.000 33.584 14.477 1.00 68.51 ? 290 LYS B NZ 1 ATOM 2070 N N . PRO B 2 84 ? 1.890 36.057 8.656 1.00 42.96 ? 291 PRO B N 1 ATOM 2071 C CA . PRO B 2 84 ? 1.543 36.116 7.229 1.00 36.38 ? 291 PRO B CA 1 ATOM 2072 C C . PRO B 2 84 ? 2.469 35.244 6.380 1.00 33.40 ? 291 PRO B C 1 ATOM 2073 O O . PRO B 2 84 ? 3.619 35.008 6.774 1.00 34.63 ? 291 PRO B O 1 ATOM 2074 C CB . PRO B 2 84 ? 1.702 37.603 6.859 1.00 32.51 ? 291 PRO B CB 1 ATOM 2075 C CG . PRO B 2 84 ? 2.024 38.342 8.114 1.00 33.91 ? 291 PRO B CG 1 ATOM 2076 C CD . PRO B 2 84 ? 2.080 37.389 9.273 1.00 39.10 ? 291 PRO B CD 1 ATOM 2077 N N . ARG B 2 85 ? 1.933 34.745 5.258 1.00 35.96 ? 292 ARG B N 1 ATOM 2078 C CA . ARG B 2 85 ? 2.680 34.128 4.140 1.00 34.37 ? 292 ARG B CA 1 ATOM 2079 C C . ARG B 2 85 ? 4.089 34.679 3.978 1.00 33.81 ? 292 ARG B C 1 ATOM 2080 O O . ARG B 2 85 ? 4.269 35.892 4.014 1.00 31.96 ? 292 ARG B O 1 ATOM 2081 C CB . ARG B 2 85 ? 1.966 34.470 2.840 1.00 33.20 ? 292 ARG B CB 1 ATOM 2082 C CG . ARG B 2 85 ? 1.002 33.429 2.359 1.00 43.24 ? 292 ARG B CG 1 ATOM 2083 C CD . ARG B 2 85 ? 0.491 33.785 0.975 1.00 47.04 ? 292 ARG B CD 1 ATOM 2084 N NE . ARG B 2 85 ? -0.615 34.745 0.993 1.00 53.75 ? 292 ARG B NE 1 ATOM 2085 C CZ . ARG B 2 85 ? -1.822 34.504 1.499 1.00 48.18 ? 292 ARG B CZ 1 ATOM 2086 N NH1 . ARG B 2 85 ? -2.751 35.446 1.447 1.00 57.53 ? 292 ARG B NH1 1 ATOM 2087 N NH2 . ARG B 2 85 ? -2.102 33.336 2.073 1.00 50.56 ? 292 ARG B NH2 1 ATOM 2088 N N . GLU B 2 86 ? 5.077 33.806 3.784 1.00 34.26 ? 293 GLU B N 1 ATOM 2089 C CA . GLU B 2 86 ? 6.434 34.263 3.444 1.00 38.89 ? 293 GLU B CA 1 ATOM 2090 C C . GLU B 2 86 ? 6.833 33.742 2.086 1.00 36.49 ? 293 GLU B C 1 ATOM 2091 O O . GLU B 2 86 ? 6.807 32.533 1.846 1.00 37.85 ? 293 GLU B O 1 ATOM 2092 C CB . GLU B 2 86 ? 7.494 33.861 4.484 1.00 40.85 ? 293 GLU B CB 1 ATOM 2093 C CG . GLU B 2 86 ? 7.482 34.640 5.796 1.00 65.69 ? 293 GLU B CG 1 ATOM 2094 C CD . GLU B 2 86 ? 7.225 36.138 5.627 1.00 95.33 ? 293 GLU B CD 1 ATOM 2095 O OE1 . GLU B 2 86 ? 6.404 36.685 6.406 1.00 92.61 ? 293 GLU B OE1 1 ATOM 2096 O OE2 . GLU B 2 86 ? 7.830 36.770 4.723 1.00 88.83 ? 293 GLU B OE2 1 ATOM 2097 N N . GLU B 2 87 ? 7.204 34.663 1.202 1.00 39.71 ? 294 GLU B N 1 ATOM 2098 C CA . GLU B 2 87 ? 7.659 34.316 -0.131 1.00 36.27 ? 294 GLU B CA 1 ATOM 2099 C C . GLU B 2 87 ? 9.007 33.615 -0.005 1.00 37.47 ? 294 GLU B C 1 ATOM 2100 O O . GLU B 2 87 ? 9.878 34.077 0.735 1.00 31.06 ? 294 GLU B O 1 ATOM 2101 C CB . GLU B 2 87 ? 7.768 35.580 -0.986 1.00 39.44 ? 294 GLU B CB 1 ATOM 2102 C CG . GLU B 2 87 ? 8.361 35.361 -2.366 1.00 37.81 ? 294 GLU B CG 1 ATOM 2103 C CD . GLU B 2 87 ? 7.485 34.511 -3.257 1.00 37.12 ? 294 GLU B CD 1 ATOM 2104 O OE1 . GLU B 2 87 ? 7.785 33.317 -3.427 1.00 33.72 ? 294 GLU B OE1 1 ATOM 2105 O OE2 . GLU B 2 87 ? 6.498 35.040 -3.787 1.00 44.32 ? 294 GLU B OE2 1 ATOM 2106 N N . GLN B 2 88 ? 9.155 32.488 -0.703 1.00 35.06 ? 295 GLN B N 1 ATOM 2107 C CA . GLN B 2 88 ? 10.381 31.689 -0.644 1.00 32.33 ? 295 GLN B CA 1 ATOM 2108 C C . GLN B 2 88 ? 11.229 31.830 -1.907 1.00 39.03 ? 295 GLN B C 1 ATOM 2109 O O . GLN B 2 88 ? 12.418 31.491 -1.899 1.00 37.23 ? 295 GLN B O 1 ATOM 2110 C CB . GLN B 2 88 ? 10.065 30.216 -0.372 1.00 27.51 ? 295 GLN B CB 1 ATOM 2111 C CG . GLN B 2 88 ? 9.376 29.981 0.969 1.00 34.62 ? 295 GLN B CG 1 ATOM 2112 C CD . GLN B 2 88 ? 10.205 30.444 2.170 1.00 35.09 ? 295 GLN B CD 1 ATOM 2113 O OE1 . GLN B 2 88 ? 11.250 29.852 2.487 1.00 36.60 ? 295 GLN B OE1 1 ATOM 2114 N NE2 . GLN B 2 88 ? 9.734 31.494 2.853 1.00 24.51 ? 295 GLN B NE2 1 ATOM 2115 N N . TYR B 2 89 ? 10.613 32.345 -2.977 1.00 37.47 ? 296 TYR B N 1 ATOM 2116 C CA . TYR B 2 89 ? 11.271 32.574 -4.274 1.00 28.53 ? 296 TYR B CA 1 ATOM 2117 C C . TYR B 2 89 ? 11.614 31.283 -5.013 1.00 27.95 ? 296 TYR B C 1 ATOM 2118 O O . TYR B 2 89 ? 12.326 31.314 -6.016 1.00 28.12 ? 296 TYR B O 1 ATOM 2119 C CB . TYR B 2 89 ? 12.499 33.512 -4.143 1.00 28.75 ? 296 TYR B CB 1 ATOM 2120 C CG . TYR B 2 89 ? 12.193 34.806 -3.398 1.00 25.77 ? 296 TYR B CG 1 ATOM 2121 C CD1 . TYR B 2 89 ? 12.534 34.954 -2.056 1.00 28.56 ? 296 TYR B CD1 1 ATOM 2122 C CD2 . TYR B 2 89 ? 11.553 35.868 -4.033 1.00 24.73 ? 296 TYR B CD2 1 ATOM 2123 C CE1 . TYR B 2 89 ? 12.243 36.115 -1.357 1.00 28.58 ? 296 TYR B CE1 1 ATOM 2124 C CE2 . TYR B 2 89 ? 11.257 37.041 -3.347 1.00 28.17 ? 296 TYR B CE2 1 ATOM 2125 C CZ . TYR B 2 89 ? 11.601 37.162 -2.010 1.00 34.57 ? 296 TYR B CZ 1 ATOM 2126 O OH . TYR B 2 89 ? 11.305 38.329 -1.314 1.00 43.46 ? 296 TYR B OH 1 ATOM 2127 N N . ASN B 2 90 ? 11.091 30.153 -4.535 1.00 29.85 ? 297 ASN B N 1 ATOM 2128 C CA . ASN B 2 90 ? 11.210 28.878 -5.262 1.00 30.68 ? 297 ASN B CA 1 ATOM 2129 C C . ASN B 2 90 ? 9.893 28.339 -5.818 1.00 35.93 ? 297 ASN B C 1 ATOM 2130 O O . ASN B 2 90 ? 9.766 27.126 -6.029 1.00 33.86 ? 297 ASN B O 1 ATOM 2131 C CB . ASN B 2 90 ? 11.864 27.804 -4.398 1.00 36.21 ? 297 ASN B CB 1 ATOM 2132 C CG . ASN B 2 90 ? 11.071 27.488 -3.142 1.00 38.92 ? 297 ASN B CG 1 ATOM 2133 O OD1 . ASN B 2 90 ? 10.026 28.085 -2.882 1.00 43.04 ? 297 ASN B OD1 1 ATOM 2134 N ND2 . ASN B 2 90 ? 11.577 26.537 -2.354 1.00 33.01 ? 297 ASN B ND2 1 ATOM 2135 N N . SER B 2 91 ? 8.942 29.251 -6.058 1.00 35.83 ? 298 SER B N 1 ATOM 2136 C CA . SER B 2 91 ? 7.571 28.973 -6.543 1.00 39.85 ? 298 SER B CA 1 ATOM 2137 C C . SER B 2 91 ? 6.568 28.697 -5.418 1.00 46.57 ? 298 SER B C 1 ATOM 2138 O O . SER B 2 91 ? 5.392 28.471 -5.693 1.00 50.60 ? 298 SER B O 1 ATOM 2139 C CB . SER B 2 91 ? 7.520 27.843 -7.580 1.00 36.38 ? 298 SER B CB 1 ATOM 2140 O OG . SER B 2 91 ? 7.502 26.580 -6.934 1.00 49.05 ? 298 SER B OG 1 ATOM 2141 N N . THR B 2 92 ? 7.026 28.710 -4.162 1.00 51.11 ? 299 THR B N 1 ATOM 2142 C CA . THR B 2 92 ? 6.153 28.384 -3.019 1.00 44.12 ? 299 THR B CA 1 ATOM 2143 C C . THR B 2 92 ? 6.132 29.426 -1.904 1.00 36.73 ? 299 THR B C 1 ATOM 2144 O O . THR B 2 92 ? 7.030 30.246 -1.790 1.00 38.44 ? 299 THR B O 1 ATOM 2145 C CB . THR B 2 92 ? 6.499 27.025 -2.377 1.00 39.23 ? 299 THR B CB 1 ATOM 2146 O OG1 . THR B 2 92 ? 7.604 27.187 -1.484 1.00 45.78 ? 299 THR B OG1 1 ATOM 2147 C CG2 . THR B 2 92 ? 6.823 25.981 -3.423 1.00 39.22 ? 299 THR B CG2 1 ATOM 2148 N N . TYR B 2 93 ? 5.079 29.388 -1.096 1.00 39.57 ? 300 TYR B N 1 ATOM 2149 C CA . TYR B 2 93 ? 5.017 30.154 0.135 1.00 37.41 ? 300 TYR B CA 1 ATOM 2150 C C . TYR B 2 93 ? 5.293 29.231 1.309 1.00 39.95 ? 300 TYR B C 1 ATOM 2151 O O . TYR B 2 93 ? 5.095 28.017 1.222 1.00 35.21 ? 300 TYR B O 1 ATOM 2152 C CB . TYR B 2 93 ? 3.637 30.749 0.330 1.00 37.41 ? 300 TYR B CB 1 ATOM 2153 C CG . TYR B 2 93 ? 3.340 31.993 -0.469 1.00 46.99 ? 300 TYR B CG 1 ATOM 2154 C CD1 . TYR B 2 93 ? 2.433 31.962 -1.534 1.00 47.05 ? 300 TYR B CD1 1 ATOM 2155 C CD2 . TYR B 2 93 ? 3.925 33.218 -0.133 1.00 46.95 ? 300 TYR B CD2 1 ATOM 2156 C CE1 . TYR B 2 93 ? 2.133 33.115 -2.244 1.00 49.81 ? 300 TYR B CE1 1 ATOM 2157 C CE2 . TYR B 2 93 ? 3.630 34.374 -0.837 1.00 44.77 ? 300 TYR B CE2 1 ATOM 2158 C CZ . TYR B 2 93 ? 2.741 34.316 -1.892 1.00 49.99 ? 300 TYR B CZ 1 ATOM 2159 O OH . TYR B 2 93 ? 2.465 35.461 -2.592 1.00 54.96 ? 300 TYR B OH 1 ATOM 2160 N N . ARG B 2 94 ? 5.739 29.834 2.406 1.00 38.76 ? 301 ARG B N 1 ATOM 2161 C CA . ARG B 2 94 ? 5.951 29.162 3.675 1.00 32.21 ? 301 ARG B CA 1 ATOM 2162 C C . ARG B 2 94 ? 5.099 29.926 4.671 1.00 33.45 ? 301 ARG B C 1 ATOM 2163 O O . ARG B 2 94 ? 5.085 31.156 4.654 1.00 34.71 ? 301 ARG B O 1 ATOM 2164 C CB . ARG B 2 94 ? 7.432 29.242 4.064 1.00 34.15 ? 301 ARG B CB 1 ATOM 2165 C CG . ARG B 2 94 ? 7.771 28.683 5.434 1.00 38.62 ? 301 ARG B CG 1 ATOM 2166 C CD . ARG B 2 94 ? 9.271 28.436 5.590 1.00 33.19 ? 301 ARG B CD 1 ATOM 2167 N NE . ARG B 2 94 ? 9.629 28.033 6.952 1.00 27.32 ? 301 ARG B NE 1 ATOM 2168 C CZ . ARG B 2 94 ? 9.734 28.871 7.985 1.00 30.69 ? 301 ARG B CZ 1 ATOM 2169 N NH1 . ARG B 2 94 ? 9.512 30.171 7.829 1.00 26.14 ? 301 ARG B NH1 1 ATOM 2170 N NH2 . ARG B 2 94 ? 10.052 28.407 9.188 1.00 34.49 ? 301 ARG B NH2 1 ATOM 2171 N N . VAL B 2 95 ? 4.363 29.195 5.508 1.00 33.74 ? 302 VAL B N 1 ATOM 2172 C CA . VAL B 2 95 ? 3.459 29.788 6.496 1.00 31.94 ? 302 VAL B CA 1 ATOM 2173 C C . VAL B 2 95 ? 3.676 29.114 7.854 1.00 33.75 ? 302 VAL B C 1 ATOM 2174 O O . VAL B 2 95 ? 3.789 27.891 7.938 1.00 42.12 ? 302 VAL B O 1 ATOM 2175 C CB . VAL B 2 95 ? 1.965 29.582 6.135 1.00 29.93 ? 302 VAL B CB 1 ATOM 2176 C CG1 . VAL B 2 95 ? 1.131 30.646 6.815 1.00 25.34 ? 302 VAL B CG1 1 ATOM 2177 C CG2 . VAL B 2 95 ? 1.732 29.607 4.631 1.00 32.49 ? 302 VAL B CG2 1 ATOM 2178 N N . VAL B 2 96 ? 3.688 29.912 8.911 1.00 26.46 ? 303 VAL B N 1 ATOM 2179 C CA . VAL B 2 96 ? 4.035 29.432 10.232 1.00 29.27 ? 303 VAL B CA 1 ATOM 2180 C C . VAL B 2 96 ? 2.985 29.828 11.261 1.00 34.94 ? 303 VAL B C 1 ATOM 2181 O O . VAL B 2 96 ? 2.528 30.978 11.302 1.00 34.93 ? 303 VAL B O 1 ATOM 2182 C CB . VAL B 2 96 ? 5.427 29.962 10.683 1.00 29.78 ? 303 VAL B CB 1 ATOM 2183 C CG1 . VAL B 2 96 ? 5.814 29.397 12.051 1.00 25.55 ? 303 VAL B CG1 1 ATOM 2184 C CG2 . VAL B 2 96 ? 6.504 29.632 9.644 1.00 24.31 ? 303 VAL B CG2 1 ATOM 2185 N N . SER B 2 97 ? 2.602 28.862 12.088 1.00 31.86 ? 304 SER B N 1 ATOM 2186 C CA . SER B 2 97 ? 1.719 29.121 13.205 1.00 29.84 ? 304 SER B CA 1 ATOM 2187 C C . SER B 2 97 ? 2.422 28.694 14.489 1.00 28.92 ? 304 SER B C 1 ATOM 2188 O O . SER B 2 97 ? 2.937 27.573 14.581 1.00 29.64 ? 304 SER B O 1 ATOM 2189 C CB . SER B 2 97 ? 0.404 28.360 13.022 1.00 28.63 ? 304 SER B CB 1 ATOM 2190 O OG . SER B 2 97 ? -0.487 28.623 14.097 1.00 33.95 ? 304 SER B OG 1 ATOM 2191 N N . VAL B 2 98 ? 2.427 29.581 15.481 1.00 27.99 ? 305 VAL B N 1 ATOM 2192 C CA . VAL B 2 98 ? 3.187 29.360 16.713 1.00 28.87 ? 305 VAL B CA 1 ATOM 2193 C C . VAL B 2 98 ? 2.284 29.300 17.937 1.00 30.39 ? 305 VAL B C 1 ATOM 2194 O O . VAL B 2 98 ? 1.565 30.255 18.226 1.00 31.20 ? 305 VAL B O 1 ATOM 2195 C CB . VAL B 2 98 ? 4.265 30.460 16.903 1.00 27.57 ? 305 VAL B CB 1 ATOM 2196 C CG1 . VAL B 2 98 ? 4.978 30.325 18.247 1.00 23.51 ? 305 VAL B CG1 1 ATOM 2197 C CG2 . VAL B 2 98 ? 5.271 30.415 15.763 1.00 24.09 ? 305 VAL B CG2 1 ATOM 2198 N N . LEU B 2 99 ? 2.329 28.176 18.648 1.00 30.57 ? 306 LEU B N 1 ATOM 2199 C CA . LEU B 2 99 ? 1.571 28.012 19.899 1.00 32.08 ? 306 LEU B CA 1 ATOM 2200 C C . LEU B 2 99 ? 2.454 28.050 21.151 1.00 33.35 ? 306 LEU B C 1 ATOM 2201 O O . LEU B 2 99 ? 3.353 27.226 21.322 1.00 35.33 ? 306 LEU B O 1 ATOM 2202 C CB . LEU B 2 99 ? 0.741 26.715 19.895 1.00 32.97 ? 306 LEU B CB 1 ATOM 2203 C CG . LEU B 2 99 ? -0.268 26.572 21.056 1.00 31.59 ? 306 LEU B CG 1 ATOM 2204 C CD1 . LEU B 2 99 ? -1.348 27.660 21.035 1.00 30.61 ? 306 LEU B CD1 1 ATOM 2205 C CD2 . LEU B 2 99 ? -0.898 25.186 21.091 1.00 26.56 ? 306 LEU B CD2 1 ATOM 2206 N N . THR B 2 100 ? 2.176 29.020 22.017 1.00 31.33 ? 307 THR B N 1 ATOM 2207 C CA . THR B 2 100 ? 2.807 29.137 23.314 1.00 29.60 ? 307 THR B CA 1 ATOM 2208 C C . THR B 2 100 ? 2.182 28.152 24.294 1.00 37.48 ? 307 THR B C 1 ATOM 2209 O O . THR B 2 100 ? 0.976 28.188 24.528 1.00 49.24 ? 307 THR B O 1 ATOM 2210 C CB . THR B 2 100 ? 2.639 30.558 23.852 1.00 29.74 ? 307 THR B CB 1 ATOM 2211 O OG1 . THR B 2 100 ? 3.369 31.471 23.018 1.00 30.55 ? 307 THR B OG1 1 ATOM 2212 C CG2 . THR B 2 100 ? 3.154 30.653 25.278 1.00 32.29 ? 307 THR B CG2 1 ATOM 2213 N N . VAL B 2 101 ? 2.999 27.275 24.868 1.00 37.56 ? 308 VAL B N 1 ATOM 2214 C CA . VAL B 2 101 ? 2.501 26.288 25.826 1.00 36.08 ? 308 VAL B CA 1 ATOM 2215 C C . VAL B 2 101 ? 2.802 26.673 27.278 1.00 44.53 ? 308 VAL B C 1 ATOM 2216 O O . VAL B 2 101 ? 3.691 27.506 27.574 1.00 38.87 ? 308 VAL B O 1 ATOM 2217 C CB . VAL B 2 101 ? 3.032 24.867 25.535 1.00 36.11 ? 308 VAL B CB 1 ATOM 2218 C CG1 . VAL B 2 101 ? 2.790 24.507 24.079 1.00 40.96 ? 308 VAL B CG1 1 ATOM 2219 C CG2 . VAL B 2 101 ? 4.514 24.751 25.851 1.00 36.43 ? 308 VAL B CG2 1 ATOM 2220 N N . LEU B 2 102 ? 2.035 26.082 28.185 1.00 42.60 ? 309 LEU B N 1 ATOM 2221 C CA . LEU B 2 102 ? 2.315 26.246 29.593 1.00 41.40 ? 309 LEU B CA 1 ATOM 2222 C C . LEU B 2 102 ? 3.431 25.253 29.890 1.00 42.58 ? 309 LEU B C 1 ATOM 2223 O O . LEU B 2 102 ? 3.413 24.108 29.406 1.00 33.61 ? 309 LEU B O 1 ATOM 2224 C CB . LEU B 2 102 ? 1.079 25.964 30.459 1.00 50.26 ? 309 LEU B CB 1 ATOM 2225 C CG . LEU B 2 102 ? -0.385 26.175 30.018 1.00 52.97 ? 309 LEU B CG 1 ATOM 2226 C CD1 . LEU B 2 102 ? -1.278 26.156 31.248 1.00 45.38 ? 309 LEU B CD1 1 ATOM 2227 C CD2 . LEU B 2 102 ? -0.644 27.446 29.223 1.00 40.73 ? 309 LEU B CD2 1 ATOM 2228 N N . HIS B 2 103 ? 4.421 25.698 30.656 1.00 41.73 ? 310 HIS B N 1 ATOM 2229 C CA . HIS B 2 103 ? 5.538 24.838 31.001 1.00 39.79 ? 310 HIS B CA 1 ATOM 2230 C C . HIS B 2 103 ? 5.004 23.569 31.592 1.00 40.86 ? 310 HIS B C 1 ATOM 2231 O O . HIS B 2 103 ? 5.364 22.473 31.145 1.00 45.84 ? 310 HIS B O 1 ATOM 2232 C CB . HIS B 2 103 ? 6.468 25.522 31.989 1.00 39.78 ? 310 HIS B CB 1 ATOM 2233 C CG . HIS B 2 103 ? 7.234 26.689 31.413 1.00 39.03 ? 310 HIS B CG 1 ATOM 2234 N ND1 . HIS B 2 103 ? 6.740 27.931 31.390 1.00 40.51 ? 310 HIS B ND1 1 ATOM 2235 C CD2 . HIS B 2 103 ? 8.512 26.769 30.872 1.00 43.60 ? 310 HIS B CD2 1 ATOM 2236 C CE1 . HIS B 2 103 ? 7.643 28.772 30.850 1.00 39.15 ? 310 HIS B CE1 1 ATOM 2237 N NE2 . HIS B 2 103 ? 8.726 28.063 30.531 1.00 40.90 ? 310 HIS B NE2 1 ATOM 2238 N N . GLN B 2 104 ? 4.116 23.705 32.576 1.00 31.04 ? 311 GLN B N 1 ATOM 2239 C CA . GLN B 2 104 ? 3.607 22.549 33.319 1.00 39.36 ? 311 GLN B CA 1 ATOM 2240 C C . GLN B 2 104 ? 2.869 21.550 32.416 1.00 44.09 ? 311 GLN B C 1 ATOM 2241 O O . GLN B 2 104 ? 2.845 20.349 32.687 1.00 45.80 ? 311 GLN B O 1 ATOM 2242 C CB . GLN B 2 104 ? 2.734 22.993 34.510 1.00 45.30 ? 311 GLN B CB 1 ATOM 2243 C CG . GLN B 2 104 ? 1.434 23.736 34.178 1.00 55.33 ? 311 GLN B CG 1 ATOM 2244 C CD . GLN B 2 104 ? 1.579 25.255 34.064 1.00 56.72 ? 311 GLN B CD 1 ATOM 2245 O OE1 . GLN B 2 104 ? 2.596 25.772 33.589 1.00 53.95 ? 311 GLN B OE1 1 ATOM 2246 N NE2 . GLN B 2 104 ? 0.542 25.977 34.489 1.00 54.49 ? 311 GLN B NE2 1 ATOM 2247 N N . ASP B 2 105 ? 2.292 22.060 31.331 1.00 40.02 ? 312 ASP B N 1 ATOM 2248 C CA . ASP B 2 105 ? 1.529 21.248 30.405 1.00 39.63 ? 312 ASP B CA 1 ATOM 2249 C C . ASP B 2 105 ? 2.421 20.420 29.515 1.00 42.68 ? 312 ASP B C 1 ATOM 2250 O O . ASP B 2 105 ? 2.128 19.250 29.265 1.00 49.30 ? 312 ASP B O 1 ATOM 2251 C CB . ASP B 2 105 ? 0.637 22.133 29.536 1.00 55.64 ? 312 ASP B CB 1 ATOM 2252 C CG . ASP B 2 105 ? -0.648 22.537 30.229 1.00 58.53 ? 312 ASP B CG 1 ATOM 2253 O OD1 . ASP B 2 105 ? -0.840 22.213 31.425 1.00 54.45 ? 312 ASP B OD1 1 ATOM 2254 O OD2 . ASP B 2 105 ? -1.478 23.176 29.558 1.00 60.21 ? 312 ASP B OD2 1 ATOM 2255 N N . TRP B 2 106 ? 3.493 21.034 29.009 1.00 45.12 ? 313 TRP B N 1 ATOM 2256 C CA . TRP B 2 106 ? 4.480 20.293 28.239 1.00 40.06 ? 313 TRP B CA 1 ATOM 2257 C C . TRP B 2 106 ? 5.106 19.232 29.105 1.00 45.08 ? 313 TRP B C 1 ATOM 2258 O O . TRP B 2 106 ? 5.166 18.054 28.710 1.00 44.14 ? 313 TRP B O 1 ATOM 2259 C CB . TRP B 2 106 ? 5.539 21.200 27.631 1.00 39.58 ? 313 TRP B CB 1 ATOM 2260 C CG . TRP B 2 106 ? 6.509 20.386 26.814 1.00 46.06 ? 313 TRP B CG 1 ATOM 2261 C CD1 . TRP B 2 106 ? 7.726 19.849 27.223 1.00 52.49 ? 313 TRP B CD1 1 ATOM 2262 C CD2 . TRP B 2 106 ? 6.336 19.922 25.436 1.00 44.88 ? 313 TRP B CD2 1 ATOM 2263 N NE1 . TRP B 2 106 ? 8.305 19.124 26.212 1.00 53.94 ? 313 TRP B NE1 1 ATOM 2264 C CE2 . TRP B 2 106 ? 7.528 19.132 25.115 1.00 46.44 ? 313 TRP B CE2 1 ATOM 2265 C CE3 . TRP B 2 106 ? 5.358 20.086 24.467 1.00 40.94 ? 313 TRP B CE3 1 ATOM 2266 C CZ2 . TRP B 2 106 ? 7.706 18.545 23.875 1.00 53.50 ? 313 TRP B CZ2 1 ATOM 2267 C CZ3 . TRP B 2 106 ? 5.550 19.494 23.217 1.00 41.31 ? 313 TRP B CZ3 1 ATOM 2268 C CH2 . TRP B 2 106 ? 6.694 18.741 22.929 1.00 47.66 ? 313 TRP B CH2 1 ATOM 2269 N N . LEU B 2 107 ? 5.544 19.646 30.300 1.00 43.00 ? 314 LEU B N 1 ATOM 2270 C CA . LEU B 2 107 ? 6.123 18.751 31.320 1.00 47.43 ? 314 LEU B CA 1 ATOM 2271 C C . LEU B 2 107 ? 5.208 17.607 31.807 1.00 45.26 ? 314 LEU B C 1 ATOM 2272 O O . LEU B 2 107 ? 5.696 16.523 32.107 1.00 46.04 ? 314 LEU B O 1 ATOM 2273 C CB . LEU B 2 107 ? 6.667 19.562 32.506 1.00 45.56 ? 314 LEU B CB 1 ATOM 2274 C CG . LEU B 2 107 ? 7.826 20.520 32.149 1.00 52.75 ? 314 LEU B CG 1 ATOM 2275 C CD1 . LEU B 2 107 ? 8.224 21.408 33.319 1.00 47.34 ? 314 LEU B CD1 1 ATOM 2276 C CD2 . LEU B 2 107 ? 9.052 19.794 31.594 1.00 53.55 ? 314 LEU B CD2 1 ATOM 2277 N N . ASN B 2 108 ? 3.895 17.831 31.862 1.00 45.04 ? 315 ASN B N 1 ATOM 2278 C CA . ASN B 2 108 ? 2.961 16.753 32.223 1.00 41.61 ? 315 ASN B CA 1 ATOM 2279 C C . ASN B 2 108 ? 2.477 15.894 31.054 1.00 40.47 ? 315 ASN B C 1 ATOM 2280 O O . ASN B 2 108 ? 1.649 15.012 31.241 1.00 47.42 ? 315 ASN B O 1 ATOM 2281 C CB . ASN B 2 108 ? 1.776 17.280 33.041 1.00 43.49 ? 315 ASN B CB 1 ATOM 2282 C CG . ASN B 2 108 ? 2.161 17.633 34.462 1.00 49.95 ? 315 ASN B CG 1 ATOM 2283 O OD1 . ASN B 2 108 ? 2.782 16.838 35.172 1.00 56.81 ? 315 ASN B OD1 1 ATOM 2284 N ND2 . ASN B 2 108 ? 1.798 18.834 34.885 1.00 55.73 ? 315 ASN B ND2 1 ATOM 2285 N N . GLY B 2 109 ? 2.999 16.135 29.854 1.00 46.74 ? 316 GLY B N 1 ATOM 2286 C CA . GLY B 2 109 ? 2.742 15.239 28.719 1.00 41.95 ? 316 GLY B CA 1 ATOM 2287 C C . GLY B 2 109 ? 1.531 15.539 27.849 1.00 37.47 ? 316 GLY B C 1 ATOM 2288 O O . GLY B 2 109 ? 1.029 14.661 27.139 1.00 38.13 ? 316 GLY B O 1 ATOM 2289 N N . LYS B 2 110 ? 1.040 16.769 27.889 1.00 35.04 ? 317 LYS B N 1 ATOM 2290 C CA . LYS B 2 110 ? -0.109 17.109 27.043 1.00 45.30 ? 317 LYS B CA 1 ATOM 2291 C C . LYS B 2 110 ? 0.288 16.973 25.569 1.00 42.51 ? 317 LYS B C 1 ATOM 2292 O O . LYS B 2 110 ? 1.438 17.212 25.206 1.00 43.39 ? 317 LYS B O 1 ATOM 2293 C CB . LYS B 2 110 ? -0.669 18.498 27.383 1.00 39.82 ? 317 LYS B CB 1 ATOM 2294 C CG . LYS B 2 110 ? -1.276 18.551 28.780 1.00 47.36 ? 317 LYS B CG 1 ATOM 2295 C CD . LYS B 2 110 ? -2.041 19.837 29.041 1.00 55.43 ? 317 LYS B CD 1 ATOM 2296 C CE . LYS B 2 110 ? -2.968 19.720 30.246 1.00 50.29 ? 317 LYS B CE 1 ATOM 2297 N NZ . LYS B 2 110 ? -4.184 18.901 29.972 1.00 45.67 ? 317 LYS B NZ 1 ATOM 2298 N N . GLU B 2 111 ? -0.645 16.524 24.743 1.00 44.64 ? 318 GLU B N 1 ATOM 2299 C CA . GLU B 2 111 ? -0.380 16.360 23.322 1.00 45.04 ? 318 GLU B CA 1 ATOM 2300 C C . GLU B 2 111 ? -0.816 17.631 22.616 1.00 45.45 ? 318 GLU B C 1 ATOM 2301 O O . GLU B 2 111 ? -1.757 18.299 23.043 1.00 46.55 ? 318 GLU B O 1 ATOM 2302 C CB . GLU B 2 111 ? -1.139 15.163 22.749 1.00 48.52 ? 318 GLU B CB 1 ATOM 2303 C CG . GLU B 2 111 ? -0.722 13.811 23.304 1.00 51.08 ? 318 GLU B CG 1 ATOM 2304 C CD . GLU B 2 111 ? -1.050 12.670 22.363 1.00 62.95 ? 318 GLU B CD 1 ATOM 2305 O OE1 . GLU B 2 111 ? -1.737 12.916 21.351 1.00 65.72 ? 318 GLU B OE1 1 ATOM 2306 O OE2 . GLU B 2 111 ? -0.612 11.528 22.625 1.00 73.62 ? 318 GLU B OE2 1 ATOM 2307 N N . TYR B 2 112 ? -0.120 17.967 21.540 1.00 38.20 ? 319 TYR B N 1 ATOM 2308 C CA . TYR B 2 112 ? -0.412 19.168 20.790 1.00 35.57 ? 319 TYR B CA 1 ATOM 2309 C C . TYR B 2 112 ? -0.660 18.808 19.332 1.00 36.05 ? 319 TYR B C 1 ATOM 2310 O O . TYR B 2 112 ? 0.170 18.157 18.696 1.00 37.26 ? 319 TYR B O 1 ATOM 2311 C CB . TYR B 2 112 ? 0.730 20.174 20.961 1.00 36.98 ? 319 TYR B CB 1 ATOM 2312 C CG . TYR B 2 112 ? 0.842 20.669 22.385 1.00 27.58 ? 319 TYR B CG 1 ATOM 2313 C CD1 . TYR B 2 112 ? 1.544 19.943 23.341 1.00 26.05 ? 319 TYR B CD1 1 ATOM 2314 C CD2 . TYR B 2 112 ? 0.237 21.859 22.773 1.00 28.66 ? 319 TYR B CD2 1 ATOM 2315 C CE1 . TYR B 2 112 ? 1.629 20.379 24.657 1.00 27.81 ? 319 TYR B CE1 1 ATOM 2316 C CE2 . TYR B 2 112 ? 0.321 22.315 24.079 1.00 27.45 ? 319 TYR B CE2 1 ATOM 2317 C CZ . TYR B 2 112 ? 1.015 21.574 25.017 1.00 28.93 ? 319 TYR B CZ 1 ATOM 2318 O OH . TYR B 2 112 ? 1.086 22.025 26.313 1.00 27.53 ? 319 TYR B OH 1 ATOM 2319 N N . LYS B 2 113 ? -1.823 19.194 18.816 1.00 36.28 ? 320 LYS B N 1 ATOM 2320 C CA . LYS B 2 113 ? -2.189 18.841 17.446 1.00 37.08 ? 320 LYS B CA 1 ATOM 2321 C C . LYS B 2 113 ? -2.285 20.080 16.585 1.00 36.72 ? 320 LYS B C 1 ATOM 2322 O O . LYS B 2 113 ? -2.910 21.081 16.961 1.00 36.73 ? 320 LYS B O 1 ATOM 2323 C CB . LYS B 2 113 ? -3.513 18.066 17.392 1.00 45.33 ? 320 LYS B CB 1 ATOM 2324 C CG . LYS B 2 113 ? -3.607 17.086 16.227 1.00 49.08 ? 320 LYS B CG 1 ATOM 2325 C CD . LYS B 2 113 ? -5.037 16.852 15.770 1.00 54.17 ? 320 LYS B CD 1 ATOM 2326 C CE . LYS B 2 113 ? -5.785 15.824 16.608 1.00 55.44 ? 320 LYS B CE 1 ATOM 2327 N NZ . LYS B 2 113 ? -7.240 15.839 16.257 1.00 58.38 ? 320 LYS B NZ 1 ATOM 2328 N N . CYS B 2 114 ? -1.650 20.007 15.426 1.00 37.02 ? 321 CYS B N 1 ATOM 2329 C CA . CYS B 2 114 ? -1.751 21.063 14.436 1.00 39.24 ? 321 CYS B CA 1 ATOM 2330 C C . CYS B 2 114 ? -2.502 20.471 13.255 1.00 38.86 ? 321 CYS B C 1 ATOM 2331 O O . CYS B 2 114 ? -2.075 19.436 12.701 1.00 36.65 ? 321 CYS B O 1 ATOM 2332 C CB . CYS B 2 114 ? -0.359 21.542 13.998 1.00 38.61 ? 321 CYS B CB 1 ATOM 2333 S SG . CYS B 2 114 ? -0.432 22.810 12.715 1.00 44.04 ? 321 CYS B SG 1 ATOM 2334 N N . LYS B 2 115 ? -3.624 21.098 12.894 1.00 31.37 ? 322 LYS B N 1 ATOM 2335 C CA . LYS B 2 115 ? -4.386 20.671 11.716 1.00 35.36 ? 322 LYS B CA 1 ATOM 2336 C C . LYS B 2 115 ? -4.350 21.782 10.684 1.00 32.88 ? 322 LYS B C 1 ATOM 2337 O O . LYS B 2 115 ? -4.647 22.938 11.001 1.00 43.17 ? 322 LYS B O 1 ATOM 2338 C CB . LYS B 2 115 ? -5.825 20.239 12.071 1.00 39.39 ? 322 LYS B CB 1 ATOM 2339 C CG . LYS B 2 115 ? -6.797 20.224 10.887 1.00 43.59 ? 322 LYS B CG 1 ATOM 2340 C CD . LYS B 2 115 ? -7.898 19.189 11.035 1.00 47.49 ? 322 LYS B CD 1 ATOM 2341 C CE . LYS B 2 115 ? -9.083 19.682 11.847 1.00 53.39 ? 322 LYS B CE 1 ATOM 2342 N NZ . LYS B 2 115 ? -10.193 20.111 10.956 1.00 51.79 ? 322 LYS B NZ 1 ATOM 2343 N N . VAL B 2 116 ? -3.980 21.420 9.457 1.00 27.96 ? 323 VAL B N 1 ATOM 2344 C CA . VAL B 2 116 ? -3.664 22.396 8.413 1.00 31.53 ? 323 VAL B CA 1 ATOM 2345 C C . VAL B 2 116 ? -4.580 22.141 7.231 1.00 30.13 ? 323 VAL B C 1 ATOM 2346 O O . VAL B 2 116 ? -4.601 21.030 6.695 1.00 31.85 ? 323 VAL B O 1 ATOM 2347 C CB . VAL B 2 116 ? -2.167 22.298 7.950 1.00 32.94 ? 323 VAL B CB 1 ATOM 2348 C CG1 . VAL B 2 116 ? -1.910 23.080 6.658 1.00 27.49 ? 323 VAL B CG1 1 ATOM 2349 C CG2 . VAL B 2 116 ? -1.199 22.744 9.045 1.00 21.31 ? 323 VAL B CG2 1 ATOM 2350 N N . SER B 2 117 ? -5.312 23.175 6.823 1.00 27.42 ? 324 SER B N 1 ATOM 2351 C CA . SER B 2 117 ? -6.212 23.093 5.675 1.00 33.22 ? 324 SER B CA 1 ATOM 2352 C C . SER B 2 117 ? -5.766 23.997 4.548 1.00 31.68 ? 324 SER B C 1 ATOM 2353 O O . SER B 2 117 ? -5.318 25.118 4.784 1.00 40.87 ? 324 SER B O 1 ATOM 2354 C CB . SER B 2 117 ? -7.642 23.492 6.057 1.00 31.17 ? 324 SER B CB 1 ATOM 2355 O OG . SER B 2 117 ? -8.167 22.628 7.027 1.00 30.16 ? 324 SER B OG 1 ATOM 2356 N N . ASN B 2 118 ? -5.951 23.519 3.323 1.00 29.71 ? 325 ASN B N 1 ATOM 2357 C CA . ASN B 2 118 ? -5.527 24.232 2.132 1.00 32.06 ? 325 ASN B CA 1 ATOM 2358 C C . ASN B 2 118 ? -6.232 23.597 0.959 1.00 30.01 ? 325 ASN B C 1 ATOM 2359 O O . ASN B 2 118 ? -6.445 22.387 0.959 1.00 27.44 ? 325 ASN B O 1 ATOM 2360 C CB . ASN B 2 118 ? -4.001 24.123 1.954 1.00 33.48 ? 325 ASN B CB 1 ATOM 2361 C CG . ASN B 2 118 ? -3.516 24.749 0.663 1.00 35.80 ? 325 ASN B CG 1 ATOM 2362 O OD1 . ASN B 2 118 ? -3.143 24.039 -0.272 1.00 40.07 ? 325 ASN B OD1 1 ATOM 2363 N ND2 . ASN B 2 118 ? -3.537 26.080 0.594 1.00 30.60 ? 325 ASN B ND2 1 ATOM 2364 N N . LYS B 2 119 ? -6.572 24.411 -0.039 1.00 31.48 ? 326 LYS B N 1 ATOM 2365 C CA . LYS B 2 119 ? -7.385 23.954 -1.179 1.00 44.77 ? 326 LYS B CA 1 ATOM 2366 C C . LYS B 2 119 ? -6.744 22.896 -2.081 1.00 44.03 ? 326 LYS B C 1 ATOM 2367 O O . LYS B 2 119 ? -7.443 22.267 -2.864 1.00 43.27 ? 326 LYS B O 1 ATOM 2368 C CB . LYS B 2 119 ? -7.908 25.134 -2.010 1.00 45.40 ? 326 LYS B CB 1 ATOM 2369 C CG . LYS B 2 119 ? -9.046 25.878 -1.309 1.00 58.07 ? 326 LYS B CG 1 ATOM 2370 C CD . LYS B 2 119 ? -9.288 27.275 -1.861 1.00 54.94 ? 326 LYS B CD 1 ATOM 2371 C CE . LYS B 2 119 ? -10.140 28.083 -0.890 1.00 63.21 ? 326 LYS B CE 1 ATOM 2372 N NZ . LYS B 2 119 ? -10.377 29.487 -1.335 1.00 66.43 ? 326 LYS B NZ 1 ATOM 2373 N N . ALA B 2 120 ? -5.434 22.692 -1.953 1.00 51.25 ? 327 ALA B N 1 ATOM 2374 C CA . ALA B 2 120 ? -4.704 21.751 -2.819 1.00 53.03 ? 327 ALA B CA 1 ATOM 2375 C C . ALA B 2 120 ? -4.542 20.380 -2.176 1.00 56.08 ? 327 ALA B C 1 ATOM 2376 O O . ALA B 2 120 ? -3.999 19.458 -2.784 1.00 63.44 ? 327 ALA B O 1 ATOM 2377 C CB . ALA B 2 120 ? -3.345 22.318 -3.216 1.00 34.36 ? 327 ALA B CB 1 ATOM 2378 N N . LEU B 2 121 ? -5.002 20.259 -0.939 1.00 52.58 ? 328 LEU B N 1 ATOM 2379 C CA . LEU B 2 121 ? -5.002 18.977 -0.255 1.00 58.94 ? 328 LEU B CA 1 ATOM 2380 C C . LEU B 2 121 ? -6.366 18.323 -0.407 1.00 56.08 ? 328 LEU B C 1 ATOM 2381 O O . LEU B 2 121 ? -7.391 19.005 -0.350 1.00 71.29 ? 328 LEU B O 1 ATOM 2382 C CB . LEU B 2 121 ? -4.681 19.161 1.230 1.00 55.41 ? 328 LEU B CB 1 ATOM 2383 C CG . LEU B 2 121 ? -3.326 19.766 1.592 1.00 52.51 ? 328 LEU B CG 1 ATOM 2384 C CD1 . LEU B 2 121 ? -3.292 20.131 3.069 1.00 50.20 ? 328 LEU B CD1 1 ATOM 2385 C CD2 . LEU B 2 121 ? -2.199 18.810 1.230 1.00 48.16 ? 328 LEU B CD2 1 ATOM 2386 N N . PRO B 2 122 ? -6.387 16.998 -0.602 1.00 57.32 ? 329 PRO B N 1 ATOM 2387 C CA . PRO B 2 122 ? -7.662 16.269 -0.631 1.00 60.92 ? 329 PRO B CA 1 ATOM 2388 C C . PRO B 2 122 ? -8.352 16.283 0.737 1.00 56.15 ? 329 PRO B C 1 ATOM 2389 O O . PRO B 2 122 ? -9.574 16.320 0.811 1.00 61.93 ? 329 PRO B O 1 ATOM 2390 C CB . PRO B 2 122 ? -7.242 14.842 -1.011 1.00 71.05 ? 329 PRO B CB 1 ATOM 2391 C CG . PRO B 2 122 ? -5.794 14.742 -0.631 1.00 61.14 ? 329 PRO B CG 1 ATOM 2392 C CD . PRO B 2 122 ? -5.228 16.115 -0.833 1.00 61.39 ? 329 PRO B CD 1 ATOM 2393 N N . ALA B 2 123 ? -7.546 16.271 1.797 1.00 65.14 ? 330 ALA B N 1 ATOM 2394 C CA . ALA B 2 123 ? -8.000 16.269 3.185 1.00 53.68 ? 330 ALA B CA 1 ATOM 2395 C C . ALA B 2 123 ? -6.999 17.087 4.003 1.00 54.46 ? 330 ALA B C 1 ATOM 2396 O O . ALA B 2 123 ? -5.830 17.189 3.613 1.00 53.19 ? 330 ALA B O 1 ATOM 2397 C CB . ALA B 2 123 ? -8.054 14.843 3.704 1.00 50.68 ? 330 ALA B CB 1 ATOM 2398 N N . PRO B 2 124 ? -7.431 17.659 5.144 1.00 56.00 ? 331 PRO B N 1 ATOM 2399 C CA . PRO B 2 124 ? -6.452 18.418 5.941 1.00 54.21 ? 331 PRO B CA 1 ATOM 2400 C C . PRO B 2 124 ? -5.346 17.516 6.510 1.00 41.68 ? 331 PRO B C 1 ATOM 2401 O O . PRO B 2 124 ? -5.546 16.311 6.625 1.00 42.80 ? 331 PRO B O 1 ATOM 2402 C CB . PRO B 2 124 ? -7.304 19.025 7.074 1.00 42.75 ? 331 PRO B CB 1 ATOM 2403 C CG . PRO B 2 124 ? -8.711 18.957 6.584 1.00 44.18 ? 331 PRO B CG 1 ATOM 2404 C CD . PRO B 2 124 ? -8.772 17.703 5.754 1.00 50.66 ? 331 PRO B CD 1 ATOM 2405 N N . ILE B 2 125 ? -4.191 18.090 6.834 1.00 38.28 ? 332 ILE B N 1 ATOM 2406 C CA . ILE B 2 125 ? -3.113 17.332 7.481 1.00 39.04 ? 332 ILE B CA 1 ATOM 2407 C C . ILE B 2 125 ? -3.043 17.632 8.978 1.00 39.25 ? 332 ILE B C 1 ATOM 2408 O O . ILE B 2 125 ? -2.962 18.791 9.398 1.00 39.63 ? 332 ILE B O 1 ATOM 2409 C CB . ILE B 2 125 ? -1.739 17.588 6.826 1.00 38.42 ? 332 ILE B CB 1 ATOM 2410 C CG1 . ILE B 2 125 ? -1.727 17.051 5.393 1.00 40.48 ? 332 ILE B CG1 1 ATOM 2411 C CG2 . ILE B 2 125 ? -0.638 16.918 7.631 1.00 33.31 ? 332 ILE B CG2 1 ATOM 2412 C CD1 . ILE B 2 125 ? -0.877 17.854 4.435 1.00 41.00 ? 332 ILE B CD1 1 ATOM 2413 N N . GLU B 2 126 ? -3.094 16.573 9.772 1.00 42.31 ? 333 GLU B N 1 ATOM 2414 C CA . GLU B 2 126 ? -2.940 16.667 11.215 1.00 40.48 ? 333 GLU B CA 1 ATOM 2415 C C . GLU B 2 126 ? -1.583 16.093 11.636 1.00 44.01 ? 333 GLU B C 1 ATOM 2416 O O . GLU B 2 126 ? -1.225 14.976 11.240 1.00 42.23 ? 333 GLU B O 1 ATOM 2417 C CB . GLU B 2 126 ? -4.066 15.905 11.918 1.00 37.04 ? 333 GLU B CB 1 ATOM 2418 C CG . GLU B 2 126 ? -5.466 16.470 11.695 1.00 48.88 ? 333 GLU B CG 1 ATOM 2419 C CD . GLU B 2 126 ? -6.527 15.795 12.560 1.00 55.06 ? 333 GLU B CD 1 ATOM 2420 O OE1 . GLU B 2 126 ? -7.310 16.506 13.226 1.00 58.02 ? 333 GLU B OE1 1 ATOM 2421 O OE2 . GLU B 2 126 ? -6.573 14.550 12.594 1.00 60.17 ? 333 GLU B OE2 1 ATOM 2422 N N . LYS B 2 127 ? -0.824 16.857 12.420 1.00 35.56 ? 334 LYS B N 1 ATOM 2423 C CA . LYS B 2 127 ? 0.368 16.310 13.081 1.00 35.22 ? 334 LYS B CA 1 ATOM 2424 C C . LYS B 2 127 ? 0.277 16.568 14.582 1.00 35.33 ? 334 LYS B C 1 ATOM 2425 O O . LYS B 2 127 ? -0.271 17.590 15.013 1.00 40.16 ? 334 LYS B O 1 ATOM 2426 C CB . LYS B 2 127 ? 1.660 16.918 12.514 1.00 40.10 ? 334 LYS B CB 1 ATOM 2427 C CG . LYS B 2 127 ? 1.895 16.681 11.024 1.00 40.15 ? 334 LYS B CG 1 ATOM 2428 C CD . LYS B 2 127 ? 2.844 15.529 10.761 1.00 42.21 ? 334 LYS B CD 1 ATOM 2429 C CE . LYS B 2 127 ? 3.425 15.592 9.354 1.00 46.25 ? 334 LYS B CE 1 ATOM 2430 N NZ . LYS B 2 127 ? 2.511 15.057 8.305 1.00 54.15 ? 334 LYS B NZ 1 ATOM 2431 N N . THR B 2 128 ? 0.805 15.636 15.372 1.00 34.85 ? 335 THR B N 1 ATOM 2432 C CA . THR B 2 128 ? 0.799 15.742 16.833 1.00 36.77 ? 335 THR B CA 1 ATOM 2433 C C . THR B 2 128 ? 2.206 15.544 17.387 1.00 36.85 ? 335 THR B C 1 ATOM 2434 O O . THR B 2 128 ? 2.976 14.743 16.855 1.00 35.43 ? 335 THR B O 1 ATOM 2435 C CB . THR B 2 128 ? -0.109 14.673 17.468 1.00 38.86 ? 335 THR B CB 1 ATOM 2436 O OG1 . THR B 2 128 ? -1.229 14.427 16.615 1.00 45.22 ? 335 THR B OG1 1 ATOM 2437 C CG2 . THR B 2 128 ? -0.605 15.128 18.832 1.00 40.23 ? 335 THR B CG2 1 ATOM 2438 N N . ILE B 2 129 ? 2.542 16.284 18.439 1.00 32.96 ? 336 ILE B N 1 ATOM 2439 C CA . ILE B 2 129 ? 3.780 16.057 19.178 1.00 39.79 ? 336 ILE B CA 1 ATOM 2440 C C . ILE B 2 129 ? 3.572 16.244 20.677 1.00 43.78 ? 336 ILE B C 1 ATOM 2441 O O . ILE B 2 129 ? 2.686 16.982 21.113 1.00 44.97 ? 336 ILE B O 1 ATOM 2442 C CB . ILE B 2 129 ? 4.927 16.999 18.749 1.00 43.80 ? 336 ILE B CB 1 ATOM 2443 C CG1 . ILE B 2 129 ? 4.517 18.463 18.922 1.00 50.08 ? 336 ILE B CG1 1 ATOM 2444 C CG2 . ILE B 2 129 ? 5.404 16.682 17.337 1.00 51.36 ? 336 ILE B CG2 1 ATOM 2445 C CD1 . ILE B 2 129 ? 5.678 19.430 18.905 1.00 67.60 ? 336 ILE B CD1 1 ATOM 2446 N N . SER B 2 130 ? 4.425 15.585 21.453 1.00 47.48 ? 337 SER B N 1 ATOM 2447 C CA . SER B 2 130 ? 4.452 15.715 22.906 1.00 47.98 ? 337 SER B CA 1 ATOM 2448 C C . SER B 2 130 ? 5.859 15.418 23.401 1.00 47.30 ? 337 SER B C 1 ATOM 2449 O O . SER B 2 130 ? 6.704 14.934 22.645 1.00 43.74 ? 337 SER B O 1 ATOM 2450 C CB . SER B 2 130 ? 3.497 14.707 23.531 1.00 44.12 ? 337 SER B CB 1 ATOM 2451 O OG . SER B 2 130 ? 3.691 13.435 22.928 1.00 45.97 ? 337 SER B OG 1 ATOM 2452 N N . LYS B 2 131 ? 6.098 15.706 24.676 1.00 46.98 ? 338 LYS B N 1 ATOM 2453 C CA . LYS B 2 131 ? 7.270 15.222 25.382 1.00 41.52 ? 338 LYS B CA 1 ATOM 2454 C C . LYS B 2 131 ? 7.341 13.719 25.180 1.00 47.24 ? 338 LYS B C 1 ATOM 2455 O O . LYS B 2 131 ? 6.311 13.048 25.100 1.00 55.89 ? 338 LYS B O 1 ATOM 2456 C CB . LYS B 2 131 ? 7.132 15.537 26.862 1.00 46.08 ? 338 LYS B CB 1 ATOM 2457 C CG . LYS B 2 131 ? 8.404 15.395 27.680 1.00 55.07 ? 338 LYS B CG 1 ATOM 2458 C CD . LYS B 2 131 ? 8.091 15.348 29.175 1.00 55.24 ? 338 LYS B CD 1 ATOM 2459 C CE . LYS B 2 131 ? 7.373 14.059 29.552 1.00 50.23 ? 338 LYS B CE 1 ATOM 2460 N NZ . LYS B 2 131 ? 7.753 13.597 30.912 1.00 51.94 ? 338 LYS B NZ 1 ATOM 2461 N N . ALA B 2 132 ? 8.556 13.198 25.067 1.00 49.37 ? 339 ALA B N 1 ATOM 2462 C CA . ALA B 2 132 ? 8.779 11.763 24.949 1.00 43.98 ? 339 ALA B CA 1 ATOM 2463 C C . ALA B 2 132 ? 8.082 11.008 26.080 1.00 51.08 ? 339 ALA B C 1 ATOM 2464 O O . ALA B 2 132 ? 8.007 11.494 27.211 1.00 61.93 ? 339 ALA B O 1 ATOM 2465 C CB . ALA B 2 132 ? 10.270 11.475 24.973 1.00 36.11 ? 339 ALA B CB 1 ATOM 2466 N N . LYS B 2 133 ? 7.572 9.823 25.770 1.00 55.51 ? 340 LYS B N 1 ATOM 2467 C CA . LYS B 2 133 ? 6.885 9.008 26.761 1.00 63.49 ? 340 LYS B CA 1 ATOM 2468 C C . LYS B 2 133 ? 7.798 7.901 27.257 1.00 70.43 ? 340 LYS B C 1 ATOM 2469 O O . LYS B 2 133 ? 8.450 7.217 26.468 1.00 74.72 ? 340 LYS B O 1 ATOM 2470 C CB . LYS B 2 133 ? 5.583 8.440 26.187 1.00 71.54 ? 340 LYS B CB 1 ATOM 2471 C CG . LYS B 2 133 ? 4.415 9.413 26.276 1.00 82.91 ? 340 LYS B CG 1 ATOM 2472 C CD . LYS B 2 133 ? 3.552 9.391 25.025 1.00 82.39 ? 340 LYS B CD 1 ATOM 2473 C CE . LYS B 2 133 ? 2.631 10.599 24.997 1.00 83.29 ? 340 LYS B CE 1 ATOM 2474 N NZ . LYS B 2 133 ? 1.933 10.712 23.690 1.00 84.84 ? 340 LYS B NZ 1 ATOM 2475 N N . GLY B 2 134 ? 7.839 7.741 28.573 1.00 57.63 ? 341 GLY B N 1 ATOM 2476 C CA . GLY B 2 134 ? 8.690 6.753 29.210 1.00 46.83 ? 341 GLY B CA 1 ATOM 2477 C C . GLY B 2 134 ? 8.957 7.233 30.614 1.00 53.66 ? 341 GLY B C 1 ATOM 2478 O O . GLY B 2 134 ? 8.878 8.438 30.884 1.00 47.27 ? 341 GLY B O 1 ATOM 2479 N N . GLN B 2 135 ? 9.253 6.294 31.511 1.00 52.92 ? 342 GLN B N 1 ATOM 2480 C CA . GLN B 2 135 ? 9.561 6.626 32.898 1.00 62.15 ? 342 GLN B CA 1 ATOM 2481 C C . GLN B 2 135 ? 10.764 7.576 32.945 1.00 67.19 ? 342 GLN B C 1 ATOM 2482 O O . GLN B 2 135 ? 11.862 7.217 32.502 1.00 64.79 ? 342 GLN B O 1 ATOM 2483 C CB . GLN B 2 135 ? 9.824 5.357 33.725 1.00 60.79 ? 342 GLN B CB 1 ATOM 2484 N N . PRO B 2 136 ? 10.549 8.810 33.442 1.00 65.38 ? 343 PRO B N 1 ATOM 2485 C CA . PRO B 2 136 ? 11.661 9.743 33.598 1.00 59.39 ? 343 PRO B CA 1 ATOM 2486 C C . PRO B 2 136 ? 12.707 9.204 34.582 1.00 66.17 ? 343 PRO B C 1 ATOM 2487 O O . PRO B 2 136 ? 12.354 8.551 35.568 1.00 72.47 ? 343 PRO B O 1 ATOM 2488 C CB . PRO B 2 136 ? 10.995 11.006 34.165 1.00 55.68 ? 343 PRO B CB 1 ATOM 2489 C CG . PRO B 2 136 ? 9.549 10.874 33.833 1.00 55.67 ? 343 PRO B CG 1 ATOM 2490 C CD . PRO B 2 136 ? 9.266 9.402 33.866 1.00 58.76 ? 343 PRO B CD 1 ATOM 2491 N N . ARG B 2 137 ? 13.980 9.467 34.298 1.00 60.32 ? 344 ARG B N 1 ATOM 2492 C CA . ARG B 2 137 ? 15.078 9.010 35.145 1.00 53.22 ? 344 ARG B CA 1 ATOM 2493 C C . ARG B 2 137 ? 16.000 10.168 35.509 1.00 50.30 ? 344 ARG B C 1 ATOM 2494 O O . ARG B 2 137 ? 16.280 11.033 34.684 1.00 57.13 ? 344 ARG B O 1 ATOM 2495 C CB . ARG B 2 137 ? 15.845 7.874 34.461 1.00 50.49 ? 344 ARG B CB 1 ATOM 2496 C CG . ARG B 2 137 ? 14.992 6.633 34.201 1.00 58.22 ? 344 ARG B CG 1 ATOM 2497 C CD . ARG B 2 137 ? 15.724 5.562 33.406 1.00 69.67 ? 344 ARG B CD 1 ATOM 2498 N NE . ARG B 2 137 ? 16.976 5.151 34.043 1.00 85.02 ? 344 ARG B NE 1 ATOM 2499 C CZ . ARG B 2 137 ? 17.862 4.303 33.517 1.00 84.24 ? 344 ARG B CZ 1 ATOM 2500 N NH1 . ARG B 2 137 ? 17.656 3.744 32.321 1.00 65.52 ? 344 ARG B NH1 1 ATOM 2501 N NH2 . ARG B 2 137 ? 18.966 4.017 34.198 1.00 66.31 ? 344 ARG B NH2 1 ATOM 2502 N N . GLU B 2 138 ? 16.453 10.191 36.757 1.00 53.36 ? 345 GLU B N 1 ATOM 2503 C CA . GLU B 2 138 ? 17.312 11.267 37.253 1.00 49.27 ? 345 GLU B CA 1 ATOM 2504 C C . GLU B 2 138 ? 18.705 11.226 36.619 1.00 49.23 ? 345 GLU B C 1 ATOM 2505 O O . GLU B 2 138 ? 19.307 10.153 36.505 1.00 52.85 ? 345 GLU B O 1 ATOM 2506 C CB . GLU B 2 138 ? 17.430 11.195 38.781 1.00 51.27 ? 345 GLU B CB 1 ATOM 2507 C CG . GLU B 2 138 ? 17.808 12.519 39.427 1.00 55.90 ? 345 GLU B CG 1 ATOM 2508 C CD . GLU B 2 138 ? 18.077 12.418 40.919 1.00 65.08 ? 345 GLU B CD 1 ATOM 2509 O OE1 . GLU B 2 138 ? 18.388 11.304 41.407 1.00 69.13 ? 345 GLU B OE1 1 ATOM 2510 O OE2 . GLU B 2 138 ? 17.989 13.469 41.601 1.00 57.21 ? 345 GLU B OE2 1 ATOM 2511 N N . PRO B 2 139 ? 19.219 12.398 36.200 1.00 50.03 ? 346 PRO B N 1 ATOM 2512 C CA . PRO B 2 139 ? 20.564 12.540 35.642 1.00 47.62 ? 346 PRO B CA 1 ATOM 2513 C C . PRO B 2 139 ? 21.650 12.448 36.693 1.00 46.56 ? 346 PRO B C 1 ATOM 2514 O O . PRO B 2 139 ? 21.656 13.245 37.633 1.00 54.85 ? 346 PRO B O 1 ATOM 2515 C CB . PRO B 2 139 ? 20.563 13.963 35.079 1.00 50.60 ? 346 PRO B CB 1 ATOM 2516 C CG . PRO B 2 139 ? 19.130 14.338 34.945 1.00 48.94 ? 346 PRO B CG 1 ATOM 2517 C CD . PRO B 2 139 ? 18.453 13.647 36.081 1.00 54.10 ? 346 PRO B CD 1 ATOM 2518 N N . GLN B 2 140 ? 22.568 11.498 36.526 1.00 43.90 ? 347 GLN B N 1 ATOM 2519 C CA . GLN B 2 140 ? 23.788 11.447 37.338 1.00 37.78 ? 347 GLN B CA 1 ATOM 2520 C C . GLN B 2 140 ? 24.775 12.481 36.795 1.00 37.77 ? 347 GLN B C 1 ATOM 2521 O O . GLN B 2 140 ? 25.132 12.433 35.614 1.00 44.60 ? 347 GLN B O 1 ATOM 2522 C CB . GLN B 2 140 ? 24.405 10.051 37.291 1.00 39.41 ? 347 GLN B CB 1 ATOM 2523 C CG . GLN B 2 140 ? 23.468 8.896 37.631 1.00 39.24 ? 347 GLN B CG 1 ATOM 2524 C CD . GLN B 2 140 ? 24.033 7.528 37.235 1.00 50.83 ? 347 GLN B CD 1 ATOM 2525 O OE1 . GLN B 2 140 ? 23.299 6.663 36.732 1.00 52.70 ? 347 GLN B OE1 1 ATOM 2526 N NE2 . GLN B 2 140 ? 25.342 7.324 37.460 1.00 38.54 ? 347 GLN B NE2 1 ATOM 2527 N N . VAL B 2 141 ? 25.201 13.416 37.646 1.00 36.43 ? 348 VAL B N 1 ATOM 2528 C CA . VAL B 2 141 ? 26.057 14.541 37.228 1.00 38.76 ? 348 VAL B CA 1 ATOM 2529 C C . VAL B 2 141 ? 27.448 14.495 37.878 1.00 45.82 ? 348 VAL B C 1 ATOM 2530 O O . VAL B 2 141 ? 27.606 14.755 39.079 1.00 45.38 ? 348 VAL B O 1 ATOM 2531 C CB . VAL B 2 141 ? 25.399 15.920 37.524 1.00 37.96 ? 348 VAL B CB 1 ATOM 2532 C CG1 . VAL B 2 141 ? 26.235 17.070 36.961 1.00 33.93 ? 348 VAL B CG1 1 ATOM 2533 C CG2 . VAL B 2 141 ? 24.001 15.981 36.945 1.00 38.07 ? 348 VAL B CG2 1 ATOM 2534 N N . TYR B 2 142 ? 28.455 14.187 37.066 1.00 49.93 ? 349 TYR B N 1 ATOM 2535 C CA . TYR B 2 142 ? 29.833 14.065 37.541 1.00 43.76 ? 349 TYR B CA 1 ATOM 2536 C C . TYR B 2 142 ? 30.749 15.069 36.862 1.00 50.93 ? 349 TYR B C 1 ATOM 2537 O O . TYR B 2 142 ? 30.751 15.190 35.634 1.00 59.84 ? 349 TYR B O 1 ATOM 2538 C CB . TYR B 2 142 ? 30.359 12.649 37.301 1.00 37.69 ? 349 TYR B CB 1 ATOM 2539 C CG . TYR B 2 142 ? 29.452 11.561 37.829 1.00 38.99 ? 349 TYR B CG 1 ATOM 2540 C CD1 . TYR B 2 142 ? 29.302 11.344 39.203 1.00 34.29 ? 349 TYR B CD1 1 ATOM 2541 C CD2 . TYR B 2 142 ? 28.741 10.744 36.955 1.00 41.18 ? 349 TYR B CD2 1 ATOM 2542 C CE1 . TYR B 2 142 ? 28.463 10.345 39.683 1.00 33.44 ? 349 TYR B CE1 1 ATOM 2543 C CE2 . TYR B 2 142 ? 27.902 9.736 37.426 1.00 41.88 ? 349 TYR B CE2 1 ATOM 2544 C CZ . TYR B 2 142 ? 27.765 9.547 38.790 1.00 37.86 ? 349 TYR B CZ 1 ATOM 2545 O OH . TYR B 2 142 ? 26.940 8.545 39.251 1.00 37.37 ? 349 TYR B OH 1 ATOM 2546 N N . THR B 2 143 ? 31.522 15.793 37.668 1.00 52.43 ? 350 THR B N 1 ATOM 2547 C CA . THR B 2 143 ? 32.537 16.698 37.140 1.00 50.30 ? 350 THR B CA 1 ATOM 2548 C C . THR B 2 143 ? 33.900 16.012 37.163 1.00 50.30 ? 350 THR B C 1 ATOM 2549 O O . THR B 2 143 ? 34.164 15.183 38.030 1.00 59.68 ? 350 THR B O 1 ATOM 2550 C CB . THR B 2 143 ? 32.583 18.023 37.906 1.00 47.86 ? 350 THR B CB 1 ATOM 2551 O OG1 . THR B 2 143 ? 32.707 17.760 39.304 1.00 48.47 ? 350 THR B OG1 1 ATOM 2552 C CG2 . THR B 2 143 ? 31.314 18.811 37.663 1.00 49.44 ? 350 THR B CG2 1 ATOM 2553 N N . LEU B 2 144 ? 34.745 16.340 36.188 1.00 44.25 ? 351 LEU B N 1 ATOM 2554 C CA . LEU B 2 144 ? 36.018 15.654 35.994 1.00 31.95 ? 351 LEU B CA 1 ATOM 2555 C C . LEU B 2 144 ? 37.060 16.687 35.609 1.00 34.02 ? 351 LEU B C 1 ATOM 2556 O O . LEU B 2 144 ? 36.881 17.413 34.627 1.00 33.24 ? 351 LEU B O 1 ATOM 2557 C CB . LEU B 2 144 ? 35.914 14.595 34.895 1.00 29.79 ? 351 LEU B CB 1 ATOM 2558 C CG . LEU B 2 144 ? 34.712 13.641 34.826 1.00 30.26 ? 351 LEU B CG 1 ATOM 2559 C CD1 . LEU B 2 144 ? 34.750 12.848 33.532 1.00 25.61 ? 351 LEU B CD1 1 ATOM 2560 C CD2 . LEU B 2 144 ? 34.619 12.706 36.025 1.00 23.67 ? 351 LEU B CD2 1 ATOM 2561 N N . PRO B 2 145 ? 38.164 16.756 36.373 1.00 34.22 ? 352 PRO B N 1 ATOM 2562 C CA . PRO B 2 145 ? 39.182 17.791 36.138 1.00 30.55 ? 352 PRO B CA 1 ATOM 2563 C C . PRO B 2 145 ? 39.914 17.565 34.814 1.00 30.55 ? 352 PRO B C 1 ATOM 2564 O O . PRO B 2 145 ? 39.791 16.483 34.220 1.00 30.67 ? 352 PRO B O 1 ATOM 2565 C CB . PRO B 2 145 ? 40.143 17.611 37.324 1.00 30.56 ? 352 PRO B CB 1 ATOM 2566 C CG . PRO B 2 145 ? 39.980 16.177 37.733 1.00 28.42 ? 352 PRO B CG 1 ATOM 2567 C CD . PRO B 2 145 ? 38.573 15.784 37.407 1.00 28.27 ? 352 PRO B CD 1 ATOM 2568 N N . PRO B 2 146 ? 40.671 18.572 34.344 1.00 30.72 ? 353 PRO B N 1 ATOM 2569 C CA . PRO B 2 146 ? 41.568 18.299 33.222 1.00 32.44 ? 353 PRO B CA 1 ATOM 2570 C C . PRO B 2 146 ? 42.580 17.197 33.553 1.00 36.87 ? 353 PRO B C 1 ATOM 2571 O O . PRO B 2 146 ? 42.941 17.007 34.716 1.00 46.42 ? 353 PRO B O 1 ATOM 2572 C CB . PRO B 2 146 ? 42.286 19.630 33.000 1.00 32.44 ? 353 PRO B CB 1 ATOM 2573 C CG . PRO B 2 146 ? 42.032 20.448 34.223 1.00 38.34 ? 353 PRO B CG 1 ATOM 2574 C CD . PRO B 2 146 ? 40.729 19.976 34.781 1.00 35.23 ? 353 PRO B CD 1 ATOM 2575 N N . SER B 2 147 ? 42.996 16.458 32.531 1.00 43.04 ? 354 SER B N 1 ATOM 2576 C CA . SER B 2 147 ? 44.118 15.522 32.620 1.00 42.03 ? 354 SER B CA 1 ATOM 2577 C C . SER B 2 147 ? 45.437 16.233 32.979 1.00 43.49 ? 354 SER B C 1 ATOM 2578 O O . SER B 2 147 ? 45.659 17.386 32.596 1.00 44.81 ? 354 SER B O 1 ATOM 2579 C CB . SER B 2 147 ? 44.267 14.797 31.283 1.00 38.20 ? 354 SER B CB 1 ATOM 2580 O OG . SER B 2 147 ? 45.392 13.947 31.271 1.00 45.30 ? 354 SER B OG 1 ATOM 2581 N N . ARG B 2 148 ? 46.294 15.546 33.733 1.00 42.75 ? 355 ARG B N 1 ATOM 2582 C CA . ARG B 2 148 ? 47.659 16.016 34.002 1.00 49.38 ? 355 ARG B CA 1 ATOM 2583 C C . ARG B 2 148 ? 48.386 16.350 32.689 1.00 52.68 ? 355 ARG B C 1 ATOM 2584 O O . ARG B 2 148 ? 49.134 17.329 32.611 1.00 41.67 ? 355 ARG B O 1 ATOM 2585 C CB . ARG B 2 148 ? 48.442 14.959 34.786 1.00 46.42 ? 355 ARG B CB 1 ATOM 2586 N N . GLU B 2 149 ? 48.125 15.546 31.655 1.00 47.93 ? 356 GLU B N 1 ATOM 2587 C CA . GLU B 2 149 ? 48.770 15.696 30.352 1.00 46.02 ? 356 GLU B CA 1 ATOM 2588 C C . GLU B 2 149 ? 48.439 17.015 29.677 1.00 46.37 ? 356 GLU B C 1 ATOM 2589 O O . GLU B 2 149 ? 49.211 17.502 28.862 1.00 44.23 ? 356 GLU B O 1 ATOM 2590 C CB . GLU B 2 149 ? 48.379 14.546 29.420 1.00 55.38 ? 356 GLU B CB 1 ATOM 2591 C CG . GLU B 2 149 ? 48.459 13.151 30.034 1.00 59.44 ? 356 GLU B CG 1 ATOM 2592 C CD . GLU B 2 149 ? 49.789 12.866 30.704 1.00 74.37 ? 356 GLU B CD 1 ATOM 2593 O OE1 . GLU B 2 149 ? 50.809 13.470 30.300 1.00 71.23 ? 356 GLU B OE1 1 ATOM 2594 O OE2 . GLU B 2 149 ? 49.811 12.038 31.643 1.00 93.16 ? 356 GLU B OE2 1 ATOM 2595 N N . GLU B 2 150 ? 47.284 17.581 30.015 1.00 59.50 ? 357 GLU B N 1 ATOM 2596 C CA . GLU B 2 150 ? 46.782 18.793 29.363 1.00 56.23 ? 357 GLU B CA 1 ATOM 2597 C C . GLU B 2 150 ? 47.486 20.049 29.878 1.00 50.74 ? 357 GLU B C 1 ATOM 2598 O O . GLU B 2 150 ? 47.338 21.126 29.298 1.00 51.45 ? 357 GLU B O 1 ATOM 2599 C CB . GLU B 2 150 ? 45.253 18.886 29.548 1.00 61.72 ? 357 GLU B CB 1 ATOM 2600 C CG . GLU B 2 150 ? 44.518 19.914 28.683 1.00 51.58 ? 357 GLU B CG 1 ATOM 2601 C CD . GLU B 2 150 ? 42.999 19.732 28.675 1.00 49.38 ? 357 GLU B CD 1 ATOM 2602 O OE1 . GLU B 2 150 ? 42.436 19.008 29.534 1.00 50.23 ? 357 GLU B OE1 1 ATOM 2603 O OE2 . GLU B 2 150 ? 42.349 20.317 27.791 1.00 53.61 ? 357 GLU B OE2 1 ATOM 2604 N N . MET B 2 151 ? 48.272 19.900 30.948 1.00 53.74 ? 358 MET B N 1 ATOM 2605 C CA . MET B 2 151 ? 48.905 21.044 31.642 1.00 61.28 ? 358 MET B CA 1 ATOM 2606 C C . MET B 2 151 ? 50.087 21.716 30.920 1.00 62.98 ? 358 MET B C 1 ATOM 2607 O O . MET B 2 151 ? 50.705 22.652 31.460 1.00 49.90 ? 358 MET B O 1 ATOM 2608 C CB . MET B 2 151 ? 49.315 20.649 33.066 1.00 57.56 ? 358 MET B CB 1 ATOM 2609 C CG . MET B 2 151 ? 48.155 20.215 33.954 1.00 73.86 ? 358 MET B CG 1 ATOM 2610 S SD . MET B 2 151 ? 46.904 21.485 34.269 1.00 63.60 ? 358 MET B SD 1 ATOM 2611 C CE . MET B 2 151 ? 45.715 20.469 35.141 1.00 72.11 ? 358 MET B CE 1 ATOM 2612 N N . THR B 2 152 ? 50.388 21.251 29.707 1.00 60.73 ? 359 THR B N 1 ATOM 2613 C CA . THR B 2 152 ? 51.454 21.836 28.891 1.00 62.41 ? 359 THR B CA 1 ATOM 2614 C C . THR B 2 152 ? 50.925 23.002 28.050 1.00 58.97 ? 359 THR B C 1 ATOM 2615 O O . THR B 2 152 ? 51.702 23.719 27.417 1.00 69.54 ? 359 THR B O 1 ATOM 2616 C CB . THR B 2 152 ? 52.119 20.799 27.948 1.00 66.60 ? 359 THR B CB 1 ATOM 2617 O OG1 . THR B 2 152 ? 51.224 20.477 26.877 1.00 78.30 ? 359 THR B OG1 1 ATOM 2618 C CG2 . THR B 2 152 ? 52.526 19.508 28.691 1.00 56.23 ? 359 THR B CG2 1 ATOM 2619 N N . LYS B 2 153 ? 49.608 23.194 28.049 1.00 52.02 ? 360 LYS B N 1 ATOM 2620 C CA . LYS B 2 153 ? 48.979 24.147 27.123 1.00 59.46 ? 360 LYS B CA 1 ATOM 2621 C C . LYS B 2 153 ? 48.481 25.395 27.845 1.00 55.28 ? 360 LYS B C 1 ATOM 2622 O O . LYS B 2 153 ? 48.516 25.460 29.072 1.00 58.57 ? 360 LYS B O 1 ATOM 2623 C CB . LYS B 2 153 ? 47.834 23.488 26.325 1.00 47.92 ? 360 LYS B CB 1 ATOM 2624 C CG . LYS B 2 153 ? 48.126 22.091 25.788 1.00 36.56 ? 360 LYS B CG 1 ATOM 2625 N N . ASN B 2 154 ? 48.041 26.387 27.072 1.00 57.21 ? 361 ASN B N 1 ATOM 2626 C CA . ASN B 2 154 ? 47.466 27.613 27.617 1.00 66.14 ? 361 ASN B CA 1 ATOM 2627 C C . ASN B 2 154 ? 46.169 27.321 28.342 1.00 64.82 ? 361 ASN B C 1 ATOM 2628 O O . ASN B 2 154 ? 45.912 27.858 29.420 1.00 64.36 ? 361 ASN B O 1 ATOM 2629 C CB . ASN B 2 154 ? 47.151 28.623 26.505 1.00 83.82 ? 361 ASN B CB 1 ATOM 2630 C CG . ASN B 2 154 ? 48.371 29.048 25.714 1.00 87.76 ? 361 ASN B CG 1 ATOM 2631 O OD1 . ASN B 2 154 ? 48.243 29.516 24.579 1.00 89.26 ? 361 ASN B OD1 1 ATOM 2632 N ND2 . ASN B 2 154 ? 49.556 28.901 26.302 1.00 80.42 ? 361 ASN B ND2 1 ATOM 2633 N N . GLN B 2 155 ? 45.348 26.476 27.724 1.00 57.30 ? 362 GLN B N 1 ATOM 2634 C CA . GLN B 2 155 ? 43.989 26.265 28.182 1.00 49.82 ? 362 GLN B CA 1 ATOM 2635 C C . GLN B 2 155 ? 43.702 24.803 28.493 1.00 48.36 ? 362 GLN B C 1 ATOM 2636 O O . GLN B 2 155 ? 44.183 23.910 27.806 1.00 48.41 ? 362 GLN B O 1 ATOM 2637 C CB . GLN B 2 155 ? 42.992 26.837 27.166 1.00 52.32 ? 362 GLN B CB 1 ATOM 2638 C CG . GLN B 2 155 ? 43.075 28.357 27.015 1.00 49.01 ? 362 GLN B CG 1 ATOM 2639 C CD . GLN B 2 155 ? 41.898 28.961 26.265 1.00 52.29 ? 362 GLN B CD 1 ATOM 2640 O OE1 . GLN B 2 155 ? 41.218 28.292 25.488 1.00 53.08 ? 362 GLN B OE1 1 ATOM 2641 N NE2 . GLN B 2 155 ? 41.660 30.243 26.488 1.00 55.48 ? 362 GLN B NE2 1 ATOM 2642 N N . VAL B 2 156 ? 42.923 24.574 29.547 1.00 47.89 ? 363 VAL B N 1 ATOM 2643 C CA . VAL B 2 156 ? 42.547 23.227 29.970 1.00 40.70 ? 363 VAL B CA 1 ATOM 2644 C C . VAL B 2 156 ? 41.041 22.995 29.798 1.00 39.40 ? 363 VAL B C 1 ATOM 2645 O O . VAL B 2 156 ? 40.262 23.944 29.734 1.00 43.91 ? 363 VAL B O 1 ATOM 2646 C CB . VAL B 2 156 ? 42.968 22.962 31.435 1.00 42.03 ? 363 VAL B CB 1 ATOM 2647 C CG1 . VAL B 2 156 ? 44.478 23.005 31.573 1.00 36.84 ? 363 VAL B CG1 1 ATOM 2648 C CG2 . VAL B 2 156 ? 42.342 23.984 32.368 1.00 44.44 ? 363 VAL B CG2 1 ATOM 2649 N N . SER B 2 157 ? 40.639 21.732 29.721 1.00 34.95 ? 364 SER B N 1 ATOM 2650 C CA . SER B 2 157 ? 39.233 21.382 29.586 1.00 33.51 ? 364 SER B CA 1 ATOM 2651 C C . SER B 2 157 ? 38.658 20.917 30.913 1.00 36.78 ? 364 SER B C 1 ATOM 2652 O O . SER B 2 157 ? 39.250 20.066 31.584 1.00 36.44 ? 364 SER B O 1 ATOM 2653 C CB . SER B 2 157 ? 39.061 20.270 28.553 1.00 35.93 ? 364 SER B CB 1 ATOM 2654 O OG . SER B 2 157 ? 39.630 20.640 27.313 1.00 43.69 ? 364 SER B OG 1 ATOM 2655 N N . LEU B 2 158 ? 37.507 21.473 31.292 1.00 35.35 ? 365 LEU B N 1 ATOM 2656 C CA . LEU B 2 158 ? 36.791 20.990 32.465 1.00 32.92 ? 365 LEU B CA 1 ATOM 2657 C C . LEU B 2 158 ? 35.571 20.253 31.973 1.00 35.31 ? 365 LEU B C 1 ATOM 2658 O O . LEU B 2 158 ? 34.825 20.776 31.148 1.00 39.29 ? 365 LEU B O 1 ATOM 2659 C CB . LEU B 2 158 ? 36.386 22.128 33.389 1.00 35.58 ? 365 LEU B CB 1 ATOM 2660 C CG . LEU B 2 158 ? 37.378 23.257 33.684 1.00 37.82 ? 365 LEU B CG 1 ATOM 2661 C CD1 . LEU B 2 158 ? 36.878 24.074 34.864 1.00 33.39 ? 365 LEU B CD1 1 ATOM 2662 C CD2 . LEU B 2 158 ? 38.781 22.739 33.956 1.00 39.56 ? 365 LEU B CD2 1 ATOM 2663 N N . THR B 2 159 ? 35.378 19.040 32.477 1.00 31.52 ? 366 THR B N 1 ATOM 2664 C CA . THR B 2 159 ? 34.363 18.137 31.963 1.00 34.88 ? 366 THR B CA 1 ATOM 2665 C C . THR B 2 159 ? 33.176 17.943 32.901 1.00 40.70 ? 366 THR B C 1 ATOM 2666 O O . THR B 2 159 ? 33.345 17.736 34.102 1.00 38.51 ? 366 THR B O 1 ATOM 2667 C CB . THR B 2 159 ? 34.989 16.775 31.619 1.00 32.66 ? 366 THR B CB 1 ATOM 2668 O OG1 . THR B 2 159 ? 35.764 16.921 30.426 1.00 32.46 ? 366 THR B OG1 1 ATOM 2669 C CG2 . THR B 2 159 ? 33.927 15.694 31.406 1.00 25.74 ? 366 THR B CG2 1 ATOM 2670 N N . CYS B 2 160 ? 31.976 18.004 32.327 1.00 42.15 ? 367 CYS B N 1 ATOM 2671 C CA . CYS B 2 160 ? 30.761 17.617 33.027 1.00 33.85 ? 367 CYS B CA 1 ATOM 2672 C C . CYS B 2 160 ? 30.134 16.428 32.331 1.00 33.86 ? 367 CYS B C 1 ATOM 2673 O O . CYS B 2 160 ? 29.679 16.522 31.186 1.00 38.27 ? 367 CYS B O 1 ATOM 2674 C CB . CYS B 2 160 ? 29.774 18.773 33.059 1.00 39.16 ? 367 CYS B CB 1 ATOM 2675 S SG . CYS B 2 160 ? 28.493 18.671 34.337 1.00 35.74 ? 367 CYS B SG 1 ATOM 2676 N N . LEU B 2 161 ? 30.129 15.297 33.017 1.00 38.64 ? 368 LEU B N 1 ATOM 2677 C CA . LEU B 2 161 ? 29.463 14.115 32.508 1.00 39.77 ? 368 LEU B CA 1 ATOM 2678 C C . LEU B 2 161 ? 28.090 14.075 33.131 1.00 38.74 ? 368 LEU B C 1 ATOM 2679 O O . LEU B 2 161 ? 27.947 14.095 34.350 1.00 45.95 ? 368 LEU B O 1 ATOM 2680 C CB . LEU B 2 161 ? 30.251 12.832 32.811 1.00 35.20 ? 368 LEU B CB 1 ATOM 2681 C CG . LEU B 2 161 ? 29.536 11.478 32.675 1.00 44.89 ? 368 LEU B CG 1 ATOM 2682 C CD1 . LEU B 2 161 ? 29.035 11.172 31.267 1.00 46.10 ? 368 LEU B CD1 1 ATOM 2683 C CD2 . LEU B 2 161 ? 30.456 10.367 33.149 1.00 51.99 ? 368 LEU B CD2 1 ATOM 2684 N N . VAL B 2 162 ? 27.080 14.058 32.274 1.00 37.13 ? 369 VAL B N 1 ATOM 2685 C CA . VAL B 2 162 ? 25.707 13.928 32.711 1.00 33.13 ? 369 VAL B CA 1 ATOM 2686 C C . VAL B 2 162 ? 25.181 12.657 32.077 1.00 31.91 ? 369 VAL B C 1 ATOM 2687 O O . VAL B 2 162 ? 25.138 12.551 30.845 1.00 31.54 ? 369 VAL B O 1 ATOM 2688 C CB . VAL B 2 162 ? 24.860 15.133 32.272 1.00 33.34 ? 369 VAL B CB 1 ATOM 2689 C CG1 . VAL B 2 162 ? 23.480 15.058 32.914 1.00 33.11 ? 369 VAL B CG1 1 ATOM 2690 C CG2 . VAL B 2 162 ? 25.562 16.438 32.637 1.00 28.02 ? 369 VAL B CG2 1 ATOM 2691 N N . LYS B 2 163 ? 24.811 11.687 32.911 1.00 29.41 ? 370 LYS B N 1 ATOM 2692 C CA . LYS B 2 163 ? 24.392 10.376 32.395 1.00 34.57 ? 370 LYS B CA 1 ATOM 2693 C C . LYS B 2 163 ? 23.134 9.792 33.053 1.00 33.12 ? 370 LYS B C 1 ATOM 2694 O O . LYS B 2 163 ? 22.633 10.309 34.054 1.00 28.45 ? 370 LYS B O 1 ATOM 2695 C CB . LYS B 2 163 ? 25.554 9.365 32.448 1.00 36.06 ? 370 LYS B CB 1 ATOM 2696 C CG . LYS B 2 163 ? 26.095 9.078 33.848 1.00 40.99 ? 370 LYS B CG 1 ATOM 2697 C CD . LYS B 2 163 ? 26.708 7.686 33.916 1.00 51.12 ? 370 LYS B CD 1 ATOM 2698 C CE . LYS B 2 163 ? 25.665 6.611 33.627 1.00 51.74 ? 370 LYS B CE 1 ATOM 2699 N NZ . LYS B 2 163 ? 26.207 5.235 33.785 1.00 57.49 ? 370 LYS B NZ 1 ATOM 2700 N N . GLY B 2 164 ? 22.638 8.706 32.467 1.00 35.23 ? 371 GLY B N 1 ATOM 2701 C CA . GLY B 2 164 ? 21.477 7.996 32.988 1.00 46.99 ? 371 GLY B CA 1 ATOM 2702 C C . GLY B 2 164 ? 20.139 8.724 32.976 1.00 51.43 ? 371 GLY B C 1 ATOM 2703 O O . GLY B 2 164 ? 19.161 8.209 33.509 1.00 67.94 ? 371 GLY B O 1 ATOM 2704 N N . PHE B 2 165 ? 20.076 9.908 32.372 1.00 46.43 ? 372 PHE B N 1 ATOM 2705 C CA . PHE B 2 165 ? 18.823 10.661 32.348 1.00 46.52 ? 372 PHE B CA 1 ATOM 2706 C C . PHE B 2 165 ? 17.845 10.209 31.267 1.00 47.12 ? 372 PHE B C 1 ATOM 2707 O O . PHE B 2 165 ? 18.247 9.682 30.229 1.00 52.50 ? 372 PHE B O 1 ATOM 2708 C CB . PHE B 2 165 ? 19.064 12.179 32.281 1.00 50.06 ? 372 PHE B CB 1 ATOM 2709 C CG . PHE B 2 165 ? 19.791 12.655 31.047 1.00 52.63 ? 372 PHE B CG 1 ATOM 2710 C CD1 . PHE B 2 165 ? 21.165 12.845 31.065 1.00 52.91 ? 372 PHE B CD1 1 ATOM 2711 C CD2 . PHE B 2 165 ? 19.097 12.967 29.884 1.00 53.47 ? 372 PHE B CD2 1 ATOM 2712 C CE1 . PHE B 2 165 ? 21.837 13.303 29.943 1.00 48.53 ? 372 PHE B CE1 1 ATOM 2713 C CE2 . PHE B 2 165 ? 19.767 13.427 28.760 1.00 56.00 ? 372 PHE B CE2 1 ATOM 2714 C CZ . PHE B 2 165 ? 21.140 13.597 28.790 1.00 47.66 ? 372 PHE B CZ 1 ATOM 2715 N N . TYR B 2 166 ? 16.560 10.404 31.542 1.00 44.83 ? 373 TYR B N 1 ATOM 2716 C CA . TYR B 2 166 ? 15.486 10.224 30.561 1.00 48.13 ? 373 TYR B CA 1 ATOM 2717 C C . TYR B 2 166 ? 14.357 11.155 30.976 1.00 54.32 ? 373 TYR B C 1 ATOM 2718 O O . TYR B 2 166 ? 14.116 11.295 32.172 1.00 50.68 ? 373 TYR B O 1 ATOM 2719 C CB . TYR B 2 166 ? 14.985 8.778 30.529 1.00 45.35 ? 373 TYR B CB 1 ATOM 2720 C CG . TYR B 2 166 ? 14.060 8.501 29.368 1.00 53.58 ? 373 TYR B CG 1 ATOM 2721 C CD1 . TYR B 2 166 ? 12.679 8.705 29.480 1.00 55.91 ? 373 TYR B CD1 1 ATOM 2722 C CD2 . TYR B 2 166 ? 14.565 8.053 28.145 1.00 54.43 ? 373 TYR B CD2 1 ATOM 2723 C CE1 . TYR B 2 166 ? 11.833 8.472 28.402 1.00 49.69 ? 373 TYR B CE1 1 ATOM 2724 C CE2 . TYR B 2 166 ? 13.726 7.808 27.066 1.00 48.12 ? 373 TYR B CE2 1 ATOM 2725 C CZ . TYR B 2 166 ? 12.367 8.024 27.199 1.00 47.20 ? 373 TYR B CZ 1 ATOM 2726 O OH . TYR B 2 166 ? 11.545 7.795 26.128 1.00 47.82 ? 373 TYR B OH 1 ATOM 2727 N N . PRO B 2 167 ? 13.686 11.832 30.010 1.00 64.29 ? 374 PRO B N 1 ATOM 2728 C CA . PRO B 2 167 ? 13.914 11.864 28.555 1.00 57.86 ? 374 PRO B CA 1 ATOM 2729 C C . PRO B 2 167 ? 15.143 12.701 28.154 1.00 54.96 ? 374 PRO B C 1 ATOM 2730 O O . PRO B 2 167 ? 15.827 13.271 29.023 1.00 47.73 ? 374 PRO B O 1 ATOM 2731 C CB . PRO B 2 167 ? 12.637 12.520 28.029 1.00 52.81 ? 374 PRO B CB 1 ATOM 2732 C CG . PRO B 2 167 ? 12.243 13.460 29.120 1.00 48.00 ? 374 PRO B CG 1 ATOM 2733 C CD . PRO B 2 167 ? 12.575 12.731 30.395 1.00 54.95 ? 374 PRO B CD 1 ATOM 2734 N N . SER B 2 168 ? 15.404 12.779 26.850 1.00 45.67 ? 375 SER B N 1 ATOM 2735 C CA . SER B 2 168 ? 16.602 13.436 26.347 1.00 39.44 ? 375 SER B CA 1 ATOM 2736 C C . SER B 2 168 ? 16.568 14.955 26.443 1.00 43.30 ? 375 SER B C 1 ATOM 2737 O O . SER B 2 168 ? 17.563 15.604 26.146 1.00 57.49 ? 375 SER B O 1 ATOM 2738 C CB . SER B 2 168 ? 16.879 13.019 24.909 1.00 39.63 ? 375 SER B CB 1 ATOM 2739 O OG . SER B 2 168 ? 16.068 13.751 24.013 1.00 39.82 ? 375 SER B OG 1 ATOM 2740 N N . ASP B 2 169 ? 15.436 15.524 26.845 1.00 48.58 ? 376 ASP B N 1 ATOM 2741 C CA . ASP B 2 169 ? 15.358 16.971 27.069 1.00 49.79 ? 376 ASP B CA 1 ATOM 2742 C C . ASP B 2 169 ? 16.209 17.344 28.272 1.00 46.55 ? 376 ASP B C 1 ATOM 2743 O O . ASP B 2 169 ? 16.063 16.748 29.344 1.00 52.29 ? 376 ASP B O 1 ATOM 2744 C CB . ASP B 2 169 ? 13.912 17.430 27.286 1.00 56.14 ? 376 ASP B CB 1 ATOM 2745 C CG . ASP B 2 169 ? 13.034 17.216 26.065 1.00 64.64 ? 376 ASP B CG 1 ATOM 2746 O OD1 . ASP B 2 169 ? 11.821 17.508 26.163 1.00 66.52 ? 376 ASP B OD1 1 ATOM 2747 O OD2 . ASP B 2 169 ? 13.548 16.759 25.017 1.00 64.53 ? 376 ASP B OD2 1 ATOM 2748 N N . ILE B 2 170 ? 17.095 18.323 28.083 1.00 36.94 ? 377 ILE B N 1 ATOM 2749 C CA . ILE B 2 170 ? 18.065 18.731 29.104 1.00 36.57 ? 377 ILE B CA 1 ATOM 2750 C C . ILE B 2 170 ? 18.749 20.047 28.728 1.00 36.39 ? 377 ILE B C 1 ATOM 2751 O O . ILE B 2 170 ? 18.834 20.410 27.549 1.00 33.18 ? 377 ILE B O 1 ATOM 2752 C CB . ILE B 2 170 ? 19.155 17.648 29.308 1.00 36.74 ? 377 ILE B CB 1 ATOM 2753 C CG1 . ILE B 2 170 ? 19.926 17.885 30.617 1.00 33.04 ? 377 ILE B CG1 1 ATOM 2754 C CG2 . ILE B 2 170 ? 20.074 17.577 28.088 1.00 29.10 ? 377 ILE B CG2 1 ATOM 2755 C CD1 . ILE B 2 170 ? 20.494 16.627 31.247 1.00 34.19 ? 377 ILE B CD1 1 ATOM 2756 N N . ALA B 2 171 ? 19.233 20.758 29.736 1.00 33.47 ? 378 ALA B N 1 ATOM 2757 C CA . ALA B 2 171 ? 20.077 21.912 29.495 1.00 39.86 ? 378 ALA B CA 1 ATOM 2758 C C . ALA B 2 171 ? 21.274 21.926 30.453 1.00 42.53 ? 378 ALA B C 1 ATOM 2759 O O . ALA B 2 171 ? 21.132 21.641 31.650 1.00 51.60 ? 378 ALA B O 1 ATOM 2760 C CB . ALA B 2 171 ? 19.263 23.189 29.605 1.00 38.56 ? 378 ALA B CB 1 ATOM 2761 N N . VAL B 2 172 ? 22.450 22.249 29.919 1.00 39.52 ? 379 VAL B N 1 ATOM 2762 C CA . VAL B 2 172 ? 23.687 22.272 30.703 1.00 36.96 ? 379 VAL B CA 1 ATOM 2763 C C . VAL B 2 172 ? 24.397 23.613 30.560 1.00 40.99 ? 379 VAL B C 1 ATOM 2764 O O . VAL B 2 172 ? 24.557 24.133 29.453 1.00 52.24 ? 379 VAL B O 1 ATOM 2765 C CB . VAL B 2 172 ? 24.642 21.130 30.289 1.00 33.46 ? 379 VAL B CB 1 ATOM 2766 C CG1 . VAL B 2 172 ? 25.920 21.156 31.116 1.00 35.59 ? 379 VAL B CG1 1 ATOM 2767 C CG2 . VAL B 2 172 ? 23.965 19.780 30.440 1.00 29.25 ? 379 VAL B CG2 1 ATOM 2768 N N . GLU B 2 173 ? 24.815 24.169 31.690 1.00 42.82 ? 380 GLU B N 1 ATOM 2769 C CA . GLU B 2 173 ? 25.531 25.443 31.719 1.00 45.54 ? 380 GLU B CA 1 ATOM 2770 C C . GLU B 2 173 ? 26.714 25.367 32.702 1.00 44.88 ? 380 GLU B C 1 ATOM 2771 O O . GLU B 2 173 ? 26.914 24.336 33.362 1.00 42.40 ? 380 GLU B O 1 ATOM 2772 C CB . GLU B 2 173 ? 24.578 26.593 32.079 1.00 50.04 ? 380 GLU B CB 1 ATOM 2773 C CG . GLU B 2 173 ? 23.565 26.925 30.985 1.00 60.40 ? 380 GLU B CG 1 ATOM 2774 C CD . GLU B 2 173 ? 22.694 28.143 31.288 1.00 63.29 ? 380 GLU B CD 1 ATOM 2775 O OE1 . GLU B 2 173 ? 23.134 29.039 32.050 1.00 52.72 ? 380 GLU B OE1 1 ATOM 2776 O OE2 . GLU B 2 173 ? 21.562 28.207 30.746 1.00 65.52 ? 380 GLU B OE2 1 ATOM 2777 N N . TRP B 2 174 ? 27.494 26.446 32.774 1.00 31.72 ? 381 TRP B N 1 ATOM 2778 C CA . TRP B 2 174 ? 28.677 26.510 33.618 1.00 37.65 ? 381 TRP B CA 1 ATOM 2779 C C . TRP B 2 174 ? 28.760 27.870 34.242 1.00 51.62 ? 381 TRP B C 1 ATOM 2780 O O . TRP B 2 174 ? 28.383 28.876 33.625 1.00 51.57 ? 381 TRP B O 1 ATOM 2781 C CB . TRP B 2 174 ? 29.965 26.277 32.815 1.00 37.38 ? 381 TRP B CB 1 ATOM 2782 C CG . TRP B 2 174 ? 30.240 24.866 32.342 1.00 34.11 ? 381 TRP B CG 1 ATOM 2783 C CD1 . TRP B 2 174 ? 29.813 24.272 31.154 1.00 34.73 ? 381 TRP B CD1 1 ATOM 2784 C CD2 . TRP B 2 174 ? 31.060 23.835 33.007 1.00 35.73 ? 381 TRP B CD2 1 ATOM 2785 N NE1 . TRP B 2 174 ? 30.281 22.985 31.049 1.00 38.18 ? 381 TRP B NE1 1 ATOM 2786 C CE2 . TRP B 2 174 ? 31.030 22.657 32.128 1.00 41.46 ? 381 TRP B CE2 1 ATOM 2787 C CE3 . TRP B 2 174 ? 31.775 23.767 34.203 1.00 34.79 ? 381 TRP B CE3 1 ATOM 2788 C CZ2 . TRP B 2 174 ? 31.693 21.475 32.454 1.00 45.93 ? 381 TRP B CZ2 1 ATOM 2789 C CZ3 . TRP B 2 174 ? 32.436 22.569 34.522 1.00 31.59 ? 381 TRP B CZ3 1 ATOM 2790 C CH2 . TRP B 2 174 ? 32.396 21.454 33.668 1.00 43.78 ? 381 TRP B CH2 1 ATOM 2791 N N . GLU B 2 175 ? 29.281 27.921 35.465 1.00 58.12 ? 382 GLU B N 1 ATOM 2792 C CA . GLU B 2 175 ? 29.497 29.192 36.151 1.00 59.59 ? 382 GLU B CA 1 ATOM 2793 C C . GLU B 2 175 ? 30.627 29.128 37.178 1.00 52.52 ? 382 GLU B C 1 ATOM 2794 O O . GLU B 2 175 ? 31.019 28.049 37.641 1.00 49.02 ? 382 GLU B O 1 ATOM 2795 C CB . GLU B 2 175 ? 28.200 29.693 36.806 1.00 62.55 ? 382 GLU B CB 1 ATOM 2796 C CG . GLU B 2 175 ? 27.576 28.715 37.789 1.00 72.89 ? 382 GLU B CG 1 ATOM 2797 C CD . GLU B 2 175 ? 26.312 29.252 38.429 1.00 84.35 ? 382 GLU B CD 1 ATOM 2798 O OE1 . GLU B 2 175 ? 26.206 29.182 39.674 1.00 76.08 ? 382 GLU B OE1 1 ATOM 2799 O OE2 . GLU B 2 175 ? 25.429 29.744 37.691 1.00 95.90 ? 382 GLU B OE2 1 ATOM 2800 N N . SER B 2 176 ? 31.136 30.304 37.520 1.00 44.38 ? 383 SER B N 1 ATOM 2801 C CA . SER B 2 176 ? 32.161 30.457 38.533 1.00 50.45 ? 383 SER B CA 1 ATOM 2802 C C . SER B 2 176 ? 31.911 31.756 39.302 1.00 55.63 ? 383 SER B C 1 ATOM 2803 O O . SER B 2 176 ? 31.861 32.835 38.701 1.00 49.41 ? 383 SER B O 1 ATOM 2804 C CB . SER B 2 176 ? 33.540 30.487 37.875 1.00 50.51 ? 383 SER B CB 1 ATOM 2805 O OG . SER B 2 176 ? 34.562 30.535 38.852 1.00 56.24 ? 383 SER B OG 1 ATOM 2806 N N . ASN B 2 177 ? 31.751 31.637 40.623 1.00 61.38 ? 384 ASN B N 1 ATOM 2807 C CA . ASN B 2 177 ? 31.484 32.780 41.530 1.00 64.83 ? 384 ASN B CA 1 ATOM 2808 C C . ASN B 2 177 ? 30.219 33.572 41.200 1.00 59.49 ? 384 ASN B C 1 ATOM 2809 O O . ASN B 2 177 ? 30.245 34.802 41.183 1.00 63.66 ? 384 ASN B O 1 ATOM 2810 C CB . ASN B 2 177 ? 32.684 33.742 41.608 1.00 62.63 ? 384 ASN B CB 1 ATOM 2811 C CG . ASN B 2 177 ? 34.016 33.025 41.559 1.00 64.20 ? 384 ASN B CG 1 ATOM 2812 O OD1 . ASN B 2 177 ? 34.293 32.137 42.370 1.00 69.80 ? 384 ASN B OD1 1 ATOM 2813 N ND2 . ASN B 2 177 ? 34.849 33.403 40.599 1.00 65.14 ? 384 ASN B ND2 1 ATOM 2814 N N . GLY B 2 178 ? 29.125 32.868 40.921 1.00 63.96 ? 385 GLY B N 1 ATOM 2815 C CA . GLY B 2 178 ? 27.848 33.514 40.614 1.00 70.62 ? 385 GLY B CA 1 ATOM 2816 C C . GLY B 2 178 ? 27.755 34.187 39.253 1.00 72.12 ? 385 GLY B C 1 ATOM 2817 O O . GLY B 2 178 ? 26.730 34.791 38.931 1.00 69.25 ? 385 GLY B O 1 ATOM 2818 N N . GLN B 2 179 ? 28.818 34.077 38.456 1.00 70.07 ? 386 GLN B N 1 ATOM 2819 C CA . GLN B 2 179 ? 28.863 34.642 37.106 1.00 71.95 ? 386 GLN B CA 1 ATOM 2820 C C . GLN B 2 179 ? 28.948 33.523 36.071 1.00 71.00 ? 386 GLN B C 1 ATOM 2821 O O . GLN B 2 179 ? 29.684 32.555 36.267 1.00 71.28 ? 386 GLN B O 1 ATOM 2822 C CB . GLN B 2 179 ? 30.064 35.582 36.941 1.00 87.84 ? 386 GLN B CB 1 ATOM 2823 C CG . GLN B 2 179 ? 30.253 36.612 38.047 1.00 92.16 ? 386 GLN B CG 1 ATOM 2824 C CD . GLN B 2 179 ? 29.346 37.817 37.896 1.00 105.19 ? 386 GLN B CD 1 ATOM 2825 O OE1 . GLN B 2 179 ? 28.170 37.692 37.542 1.00 94.63 ? 386 GLN B OE1 1 ATOM 2826 N NE2 . GLN B 2 179 ? 29.890 38.997 38.172 1.00 113.93 ? 386 GLN B NE2 1 ATOM 2827 N N . PRO B 2 180 ? 28.203 33.653 34.959 1.00 75.59 ? 387 PRO B N 1 ATOM 2828 C CA . PRO B 2 180 ? 28.170 32.571 33.964 1.00 69.28 ? 387 PRO B CA 1 ATOM 2829 C C . PRO B 2 180 ? 29.491 32.391 33.199 1.00 56.74 ? 387 PRO B C 1 ATOM 2830 O O . PRO B 2 180 ? 30.169 33.369 32.893 1.00 49.67 ? 387 PRO B O 1 ATOM 2831 C CB . PRO B 2 180 ? 27.045 33.004 33.012 1.00 67.36 ? 387 PRO B CB 1 ATOM 2832 C CG . PRO B 2 180 ? 26.957 34.490 33.169 1.00 66.84 ? 387 PRO B CG 1 ATOM 2833 C CD . PRO B 2 180 ? 27.317 34.778 34.596 1.00 63.45 ? 387 PRO B CD 1 ATOM 2834 N N . GLU B 2 181 ? 29.843 31.141 32.913 1.00 54.01 ? 388 GLU B N 1 ATOM 2835 C CA . GLU B 2 181 ? 31.018 30.809 32.105 1.00 48.33 ? 388 GLU B CA 1 ATOM 2836 C C . GLU B 2 181 ? 30.587 30.422 30.693 1.00 45.22 ? 388 GLU B C 1 ATOM 2837 O O . GLU B 2 181 ? 29.938 29.394 30.487 1.00 41.83 ? 388 GLU B O 1 ATOM 2838 C CB . GLU B 2 181 ? 31.799 29.655 32.744 1.00 51.44 ? 388 GLU B CB 1 ATOM 2839 C CG . GLU B 2 181 ? 32.549 30.018 34.016 1.00 51.44 ? 388 GLU B CG 1 ATOM 2840 C CD . GLU B 2 181 ? 33.659 31.038 33.798 1.00 59.08 ? 388 GLU B CD 1 ATOM 2841 O OE1 . GLU B 2 181 ? 34.392 30.953 32.788 1.00 59.43 ? 388 GLU B OE1 1 ATOM 2842 O OE2 . GLU B 2 181 ? 33.808 31.930 34.655 1.00 65.32 ? 388 GLU B OE2 1 ATOM 2843 N N . ASN B 2 182 ? 30.948 31.242 29.717 1.00 44.44 ? 389 ASN B N 1 ATOM 2844 C CA . ASN B 2 182 ? 30.383 31.091 28.385 1.00 48.68 ? 389 ASN B CA 1 ATOM 2845 C C . ASN B 2 182 ? 31.142 30.199 27.410 1.00 46.80 ? 389 ASN B C 1 ATOM 2846 O O . ASN B 2 182 ? 30.570 29.715 26.427 1.00 52.59 ? 389 ASN B O 1 ATOM 2847 C CB . ASN B 2 182 ? 30.107 32.464 27.779 1.00 56.74 ? 389 ASN B CB 1 ATOM 2848 C CG . ASN B 2 182 ? 28.857 33.099 28.354 1.00 67.32 ? 389 ASN B CG 1 ATOM 2849 O OD1 . ASN B 2 182 ? 27.892 32.404 28.710 1.00 56.78 ? 389 ASN B OD1 1 ATOM 2850 N ND2 . ASN B 2 182 ? 28.865 34.423 28.458 1.00 72.28 ? 389 ASN B ND2 1 ATOM 2851 N N . ASN B 2 183 ? 32.420 29.980 27.693 1.00 50.23 ? 390 ASN B N 1 ATOM 2852 C CA . ASN B 2 183 ? 33.313 29.292 26.771 1.00 48.38 ? 390 ASN B CA 1 ATOM 2853 C C . ASN B 2 183 ? 33.214 27.773 26.865 1.00 44.22 ? 390 ASN B C 1 ATOM 2854 O O . ASN B 2 183 ? 34.167 27.092 27.243 1.00 51.10 ? 390 ASN B O 1 ATOM 2855 C CB . ASN B 2 183 ? 34.753 29.758 26.993 1.00 56.92 ? 390 ASN B CB 1 ATOM 2856 C CG . ASN B 2 183 ? 35.701 29.262 25.920 1.00 56.71 ? 390 ASN B CG 1 ATOM 2857 O OD1 . ASN B 2 183 ? 35.327 29.113 24.754 1.00 57.10 ? 390 ASN B OD1 1 ATOM 2858 N ND2 . ASN B 2 183 ? 36.934 28.993 26.313 1.00 48.17 ? 390 ASN B ND2 1 ATOM 2859 N N . TYR B 2 184 ? 32.057 27.235 26.506 1.00 44.41 ? 391 TYR B N 1 ATOM 2860 C CA . TYR B 2 184 ? 31.850 25.798 26.615 1.00 45.46 ? 391 TYR B CA 1 ATOM 2861 C C . TYR B 2 184 ? 31.123 25.236 25.399 1.00 41.77 ? 391 TYR B C 1 ATOM 2862 O O . TYR B 2 184 ? 30.486 25.966 24.642 1.00 45.47 ? 391 TYR B O 1 ATOM 2863 C CB . TYR B 2 184 ? 31.103 25.445 27.919 1.00 51.31 ? 391 TYR B CB 1 ATOM 2864 C CG . TYR B 2 184 ? 29.636 25.856 27.938 1.00 49.23 ? 391 TYR B CG 1 ATOM 2865 C CD1 . TYR B 2 184 ? 28.653 25.056 27.336 1.00 47.79 ? 391 TYR B CD1 1 ATOM 2866 C CD2 . TYR B 2 184 ? 29.236 27.036 28.549 1.00 42.96 ? 391 TYR B CD2 1 ATOM 2867 C CE1 . TYR B 2 184 ? 27.320 25.427 27.342 1.00 42.36 ? 391 TYR B CE1 1 ATOM 2868 C CE2 . TYR B 2 184 ? 27.906 27.413 28.561 1.00 53.78 ? 391 TYR B CE2 1 ATOM 2869 C CZ . TYR B 2 184 ? 26.955 26.604 27.955 1.00 49.76 ? 391 TYR B CZ 1 ATOM 2870 O OH . TYR B 2 184 ? 25.638 26.977 27.966 1.00 58.59 ? 391 TYR B OH 1 ATOM 2871 N N . ASP B 2 185 ? 31.236 23.926 25.232 1.00 36.88 ? 392 ASP B N 1 ATOM 2872 C CA . ASP B 2 185 ? 30.563 23.203 24.182 1.00 35.02 ? 392 ASP B CA 1 ATOM 2873 C C . ASP B 2 185 ? 29.986 21.970 24.842 1.00 37.24 ? 392 ASP B C 1 ATOM 2874 O O . ASP B 2 185 ? 30.622 21.376 25.710 1.00 46.05 ? 392 ASP B O 1 ATOM 2875 C CB . ASP B 2 185 ? 31.558 22.765 23.105 1.00 42.00 ? 392 ASP B CB 1 ATOM 2876 C CG . ASP B 2 185 ? 31.711 23.769 21.990 1.00 43.73 ? 392 ASP B CG 1 ATOM 2877 O OD1 . ASP B 2 185 ? 30.791 23.893 21.147 1.00 49.15 ? 392 ASP B OD1 1 ATOM 2878 O OD2 . ASP B 2 185 ? 32.779 24.408 21.932 1.00 53.19 ? 392 ASP B OD2 1 ATOM 2879 N N . THR B 2 186 ? 28.793 21.577 24.419 1.00 31.79 ? 393 THR B N 1 ATOM 2880 C CA . THR B 2 186 ? 28.120 20.439 24.997 1.00 28.90 ? 393 THR B CA 1 ATOM 2881 C C . THR B 2 186 ? 27.741 19.540 23.846 1.00 34.95 ? 393 THR B C 1 ATOM 2882 O O . THR B 2 186 ? 27.288 20.019 22.806 1.00 39.44 ? 393 THR B O 1 ATOM 2883 C CB . THR B 2 186 ? 26.861 20.888 25.757 1.00 27.95 ? 393 THR B CB 1 ATOM 2884 O OG1 . THR B 2 186 ? 27.207 21.926 26.684 1.00 33.23 ? 393 THR B OG1 1 ATOM 2885 C CG2 . THR B 2 186 ? 26.238 19.731 26.508 1.00 26.27 ? 393 THR B CG2 1 ATOM 2886 N N . THR B 2 187 ? 27.948 18.240 24.011 1.00 36.53 ? 394 THR B N 1 ATOM 2887 C CA . THR B 2 187 ? 27.542 17.298 22.985 1.00 41.28 ? 394 THR B CA 1 ATOM 2888 C C . THR B 2 187 ? 26.012 17.217 22.994 1.00 46.87 ? 394 THR B C 1 ATOM 2889 O O . THR B 2 187 ? 25.382 17.484 24.021 1.00 53.07 ? 394 THR B O 1 ATOM 2890 C CB . THR B 2 187 ? 28.152 15.897 23.212 1.00 37.79 ? 394 THR B CB 1 ATOM 2891 O OG1 . THR B 2 187 ? 27.440 15.211 24.249 1.00 39.66 ? 394 THR B OG1 1 ATOM 2892 C CG2 . THR B 2 187 ? 29.599 16.003 23.593 1.00 36.50 ? 394 THR B CG2 1 ATOM 2893 N N . PRO B 2 188 ? 25.400 16.875 21.851 1.00 48.52 ? 395 PRO B N 1 ATOM 2894 C CA . PRO B 2 188 ? 23.975 16.561 21.938 1.00 51.98 ? 395 PRO B CA 1 ATOM 2895 C C . PRO B 2 188 ? 23.810 15.308 22.801 1.00 43.96 ? 395 PRO B C 1 ATOM 2896 O O . PRO B 2 188 ? 24.817 14.667 23.114 1.00 40.91 ? 395 PRO B O 1 ATOM 2897 C CB . PRO B 2 188 ? 23.588 16.274 20.475 1.00 50.91 ? 395 PRO B CB 1 ATOM 2898 C CG . PRO B 2 188 ? 24.870 15.903 19.800 1.00 51.97 ? 395 PRO B CG 1 ATOM 2899 C CD . PRO B 2 188 ? 25.916 16.743 20.476 1.00 52.21 ? 395 PRO B CD 1 ATOM 2900 N N . PRO B 2 189 ? 22.567 14.966 23.205 1.00 40.83 ? 396 PRO B N 1 ATOM 2901 C CA . PRO B 2 189 ? 22.429 13.700 23.919 1.00 34.49 ? 396 PRO B CA 1 ATOM 2902 C C . PRO B 2 189 ? 22.787 12.508 23.047 1.00 36.78 ? 396 PRO B C 1 ATOM 2903 O O . PRO B 2 189 ? 22.611 12.553 21.835 1.00 45.76 ? 396 PRO B O 1 ATOM 2904 C CB . PRO B 2 189 ? 20.943 13.667 24.296 1.00 31.93 ? 396 PRO B CB 1 ATOM 2905 C CG . PRO B 2 189 ? 20.571 15.099 24.416 1.00 33.03 ? 396 PRO B CG 1 ATOM 2906 C CD . PRO B 2 189 ? 21.352 15.794 23.331 1.00 37.69 ? 396 PRO B CD 1 ATOM 2907 N N . VAL B 2 190 ? 23.319 11.464 23.675 1.00 38.06 ? 397 VAL B N 1 ATOM 2908 C CA . VAL B 2 190 ? 23.613 10.208 23.004 1.00 33.65 ? 397 VAL B CA 1 ATOM 2909 C C . VAL B 2 190 ? 22.804 9.130 23.712 1.00 42.69 ? 397 VAL B C 1 ATOM 2910 O O . VAL B 2 190 ? 22.697 9.135 24.945 1.00 48.81 ? 397 VAL B O 1 ATOM 2911 C CB . VAL B 2 190 ? 25.125 9.893 23.058 1.00 29.95 ? 397 VAL B CB 1 ATOM 2912 C CG1 . VAL B 2 190 ? 25.437 8.541 22.451 1.00 24.37 ? 397 VAL B CG1 1 ATOM 2913 C CG2 . VAL B 2 190 ? 25.924 10.975 22.343 1.00 28.43 ? 397 VAL B CG2 1 ATOM 2914 N N . LEU B 2 191 ? 22.202 8.233 22.936 1.00 46.10 ? 398 LEU B N 1 ATOM 2915 C CA . LEU B 2 191 ? 21.415 7.144 23.503 1.00 51.49 ? 398 LEU B CA 1 ATOM 2916 C C . LEU B 2 191 ? 22.346 6.098 24.093 1.00 53.38 ? 398 LEU B C 1 ATOM 2917 O O . LEU B 2 191 ? 23.193 5.536 23.384 1.00 54.75 ? 398 LEU B O 1 ATOM 2918 C CB . LEU B 2 191 ? 20.501 6.506 22.443 1.00 49.72 ? 398 LEU B CB 1 ATOM 2919 C CG . LEU B 2 191 ? 19.583 5.337 22.854 1.00 54.22 ? 398 LEU B CG 1 ATOM 2920 C CD1 . LEU B 2 191 ? 18.459 5.777 23.789 1.00 45.69 ? 398 LEU B CD1 1 ATOM 2921 C CD2 . LEU B 2 191 ? 19.007 4.645 21.624 1.00 52.47 ? 398 LEU B CD2 1 ATOM 2922 N N . ASP B 2 192 ? 22.195 5.843 25.389 1.00 54.17 ? 399 ASP B N 1 ATOM 2923 C CA . ASP B 2 192 ? 22.988 4.804 26.044 1.00 63.66 ? 399 ASP B CA 1 ATOM 2924 C C . ASP B 2 192 ? 22.317 3.427 25.971 1.00 63.63 ? 399 ASP B C 1 ATOM 2925 O O . ASP B 2 192 ? 21.102 3.335 25.802 1.00 81.20 ? 399 ASP B O 1 ATOM 2926 C CB . ASP B 2 192 ? 23.328 5.190 27.485 1.00 57.18 ? 399 ASP B CB 1 ATOM 2927 C CG . ASP B 2 192 ? 24.718 4.734 27.886 1.00 55.06 ? 399 ASP B CG 1 ATOM 2928 O OD1 . ASP B 2 192 ? 25.162 3.677 27.380 1.00 56.58 ? 399 ASP B OD1 1 ATOM 2929 O OD2 . ASP B 2 192 ? 25.369 5.437 28.691 1.00 40.08 ? 399 ASP B OD2 1 ATOM 2930 N N . SER B 2 193 ? 23.116 2.367 26.101 1.00 65.75 ? 400 SER B N 1 ATOM 2931 C CA . SER B 2 193 ? 22.643 0.981 25.900 1.00 76.78 ? 400 SER B CA 1 ATOM 2932 C C . SER B 2 193 ? 21.530 0.507 26.848 1.00 80.99 ? 400 SER B C 1 ATOM 2933 O O . SER B 2 193 ? 20.840 -0.471 26.551 1.00 84.81 ? 400 SER B O 1 ATOM 2934 C CB . SER B 2 193 ? 23.816 -0.010 25.921 1.00 76.55 ? 400 SER B CB 1 ATOM 2935 O OG . SER B 2 193 ? 24.636 0.183 27.061 1.00 71.77 ? 400 SER B OG 1 ATOM 2936 N N . ASP B 2 194 ? 21.360 1.194 27.978 1.00 76.14 ? 401 ASP B N 1 ATOM 2937 C CA . ASP B 2 194 ? 20.247 0.924 28.888 1.00 60.30 ? 401 ASP B CA 1 ATOM 2938 C C . ASP B 2 194 ? 19.022 1.818 28.594 1.00 63.80 ? 401 ASP B C 1 ATOM 2939 O O . ASP B 2 194 ? 18.162 2.023 29.461 1.00 59.73 ? 401 ASP B O 1 ATOM 2940 C CB . ASP B 2 194 ? 20.702 1.047 30.351 1.00 49.70 ? 401 ASP B CB 1 ATOM 2941 C CG . ASP B 2 194 ? 21.118 2.461 30.734 1.00 64.84 ? 401 ASP B CG 1 ATOM 2942 O OD1 . ASP B 2 194 ? 21.271 3.319 29.835 1.00 80.62 ? 401 ASP B OD1 1 ATOM 2943 O OD2 . ASP B 2 194 ? 21.297 2.714 31.948 1.00 59.39 ? 401 ASP B OD2 1 ATOM 2944 N N . GLY B 2 195 ? 18.960 2.353 27.374 1.00 54.86 ? 402 GLY B N 1 ATOM 2945 C CA . GLY B 2 195 ? 17.839 3.190 26.935 1.00 43.96 ? 402 GLY B CA 1 ATOM 2946 C C . GLY B 2 195 ? 17.753 4.566 27.577 1.00 47.01 ? 402 GLY B C 1 ATOM 2947 O O . GLY B 2 195 ? 16.823 5.320 27.303 1.00 45.46 ? 402 GLY B O 1 ATOM 2948 N N . SER B 2 196 ? 18.703 4.894 28.450 1.00 43.65 ? 403 SER B N 1 ATOM 2949 C CA . SER B 2 196 ? 18.780 6.237 28.998 1.00 41.67 ? 403 SER B CA 1 ATOM 2950 C C . SER B 2 196 ? 19.724 7.070 28.121 1.00 42.52 ? 403 SER B C 1 ATOM 2951 O O . SER B 2 196 ? 20.300 6.557 27.164 1.00 47.72 ? 403 SER B O 1 ATOM 2952 C CB . SER B 2 196 ? 19.269 6.200 30.449 1.00 46.53 ? 403 SER B CB 1 ATOM 2953 O OG . SER B 2 196 ? 20.632 5.801 30.515 1.00 59.73 ? 403 SER B OG 1 ATOM 2954 N N . PHE B 2 197 ? 19.886 8.346 28.455 1.00 40.85 ? 404 PHE B N 1 ATOM 2955 C CA . PHE B 2 197 ? 20.735 9.246 27.686 1.00 43.80 ? 404 PHE B CA 1 ATOM 2956 C C . PHE B 2 197 ? 21.930 9.763 28.485 1.00 42.53 ? 404 PHE B C 1 ATOM 2957 O O . PHE B 2 197 ? 21.860 9.930 29.705 1.00 47.66 ? 404 PHE B O 1 ATOM 2958 C CB . PHE B 2 197 ? 19.912 10.441 27.182 1.00 46.15 ? 404 PHE B CB 1 ATOM 2959 C CG . PHE B 2 197 ? 18.920 10.090 26.118 1.00 47.83 ? 404 PHE B CG 1 ATOM 2960 C CD1 . PHE B 2 197 ? 17.592 9.847 26.444 1.00 47.82 ? 404 PHE B CD1 1 ATOM 2961 C CD2 . PHE B 2 197 ? 19.314 10.003 24.781 1.00 54.51 ? 404 PHE B CD2 1 ATOM 2962 C CE1 . PHE B 2 197 ? 16.672 9.509 25.456 1.00 53.49 ? 404 PHE B CE1 1 ATOM 2963 C CE2 . PHE B 2 197 ? 18.402 9.664 23.789 1.00 53.83 ? 404 PHE B CE2 1 ATOM 2964 C CZ . PHE B 2 197 ? 17.077 9.418 24.127 1.00 50.70 ? 404 PHE B CZ 1 ATOM 2965 N N . PHE B 2 198 ? 23.025 10.035 27.785 1.00 40.26 ? 405 PHE B N 1 ATOM 2966 C CA . PHE B 2 198 ? 24.114 10.806 28.370 1.00 35.36 ? 405 PHE B CA 1 ATOM 2967 C C . PHE B 2 198 ? 24.578 11.880 27.417 1.00 34.21 ? 405 PHE B C 1 ATOM 2968 O O . PHE B 2 198 ? 24.269 11.846 26.223 1.00 35.76 ? 405 PHE B O 1 ATOM 2969 C CB . PHE B 2 198 ? 25.300 9.910 28.743 1.00 35.14 ? 405 PHE B CB 1 ATOM 2970 C CG . PHE B 2 198 ? 26.102 9.420 27.569 1.00 27.48 ? 405 PHE B CG 1 ATOM 2971 C CD1 . PHE B 2 198 ? 27.226 10.118 27.138 1.00 28.70 ? 405 PHE B CD1 1 ATOM 2972 C CD2 . PHE B 2 198 ? 25.742 8.259 26.907 1.00 28.61 ? 405 PHE B CD2 1 ATOM 2973 C CE1 . PHE B 2 198 ? 27.975 9.662 26.068 1.00 28.44 ? 405 PHE B CE1 1 ATOM 2974 C CE2 . PHE B 2 198 ? 26.477 7.793 25.825 1.00 26.68 ? 405 PHE B CE2 1 ATOM 2975 C CZ . PHE B 2 198 ? 27.597 8.496 25.411 1.00 30.13 ? 405 PHE B CZ 1 ATOM 2976 N N . LEU B 2 199 ? 25.342 12.815 27.965 1.00 33.30 ? 406 LEU B N 1 ATOM 2977 C CA . LEU B 2 199 ? 26.095 13.780 27.190 1.00 30.78 ? 406 LEU B CA 1 ATOM 2978 C C . LEU B 2 199 ? 27.303 14.204 28.006 1.00 33.63 ? 406 LEU B C 1 ATOM 2979 O O . LEU B 2 199 ? 27.397 13.882 29.195 1.00 36.65 ? 406 LEU B O 1 ATOM 2980 C CB . LEU B 2 199 ? 25.231 14.996 26.882 1.00 30.21 ? 406 LEU B CB 1 ATOM 2981 C CG . LEU B 2 199 ? 24.649 15.794 28.048 1.00 33.67 ? 406 LEU B CG 1 ATOM 2982 C CD1 . LEU B 2 199 ? 25.660 16.736 28.703 1.00 30.04 ? 406 LEU B CD1 1 ATOM 2983 C CD2 . LEU B 2 199 ? 23.466 16.576 27.509 1.00 35.94 ? 406 LEU B CD2 1 ATOM 2984 N N . TYR B 2 200 ? 28.220 14.925 27.370 1.00 33.28 ? 407 TYR B N 1 ATOM 2985 C CA . TYR B 2 200 ? 29.342 15.544 28.066 1.00 35.89 ? 407 TYR B CA 1 ATOM 2986 C C . TYR B 2 200 ? 29.333 17.028 27.750 1.00 34.60 ? 407 TYR B C 1 ATOM 2987 O O . TYR B 2 200 ? 28.876 17.426 26.668 1.00 34.99 ? 407 TYR B O 1 ATOM 2988 C CB . TYR B 2 200 ? 30.677 14.980 27.570 1.00 35.42 ? 407 TYR B CB 1 ATOM 2989 C CG . TYR B 2 200 ? 31.070 13.629 28.087 1.00 31.72 ? 407 TYR B CG 1 ATOM 2990 C CD1 . TYR B 2 200 ? 31.824 13.498 29.251 1.00 35.90 ? 407 TYR B CD1 1 ATOM 2991 C CD2 . TYR B 2 200 ? 30.726 12.475 27.393 1.00 31.74 ? 407 TYR B CD2 1 ATOM 2992 C CE1 . TYR B 2 200 ? 32.212 12.247 29.719 1.00 32.06 ? 407 TYR B CE1 1 ATOM 2993 C CE2 . TYR B 2 200 ? 31.109 11.224 27.850 1.00 32.77 ? 407 TYR B CE2 1 ATOM 2994 C CZ . TYR B 2 200 ? 31.853 11.118 29.010 1.00 33.55 ? 407 TYR B CZ 1 ATOM 2995 O OH . TYR B 2 200 ? 32.224 9.871 29.465 1.00 47.36 ? 407 TYR B OH 1 ATOM 2996 N N . SER B 2 201 ? 29.865 17.840 28.666 1.00 27.52 ? 408 SER B N 1 ATOM 2997 C CA . SER B 2 201 ? 30.102 19.246 28.369 1.00 29.69 ? 408 SER B CA 1 ATOM 2998 C C . SER B 2 201 ? 31.552 19.613 28.715 1.00 33.67 ? 408 SER B C 1 ATOM 2999 O O . SER B 2 201 ? 32.065 19.229 29.777 1.00 36.86 ? 408 SER B O 1 ATOM 3000 C CB . SER B 2 201 ? 29.073 20.138 29.089 1.00 31.24 ? 408 SER B CB 1 ATOM 3001 O OG . SER B 2 201 ? 29.333 21.530 28.902 1.00 31.88 ? 408 SER B OG 1 ATOM 3002 N N . ASP B 2 202 ? 32.213 20.321 27.795 1.00 35.05 ? 409 ASP B N 1 ATOM 3003 C CA . ASP B 2 202 ? 33.607 20.756 27.954 1.00 30.74 ? 409 ASP B CA 1 ATOM 3004 C C . ASP B 2 202 ? 33.621 22.253 28.129 1.00 32.23 ? 409 ASP B C 1 ATOM 3005 O O . ASP B 2 202 ? 33.303 22.987 27.197 1.00 40.00 ? 409 ASP B O 1 ATOM 3006 C CB . ASP B 2 202 ? 34.457 20.355 26.737 1.00 30.61 ? 409 ASP B CB 1 ATOM 3007 C CG . ASP B 2 202 ? 35.895 20.926 26.768 1.00 42.06 ? 409 ASP B CG 1 ATOM 3008 O OD1 . ASP B 2 202 ? 36.197 21.886 27.512 1.00 41.65 ? 409 ASP B OD1 1 ATOM 3009 O OD2 . ASP B 2 202 ? 36.743 20.421 26.002 1.00 48.92 ? 409 ASP B OD2 1 ATOM 3010 N N . LEU B 2 203 ? 33.954 22.693 29.343 1.00 37.48 ? 410 LEU B N 1 ATOM 3011 C CA . LEU B 2 203 ? 34.283 24.093 29.604 1.00 38.59 ? 410 LEU B CA 1 ATOM 3012 C C . LEU B 2 203 ? 35.794 24.232 29.544 1.00 39.88 ? 410 LEU B C 1 ATOM 3013 O O . LEU B 2 203 ? 36.532 23.565 30.279 1.00 38.02 ? 410 LEU B O 1 ATOM 3014 C CB . LEU B 2 203 ? 33.739 24.596 30.959 1.00 31.47 ? 410 LEU B CB 1 ATOM 3015 C CG . LEU B 2 203 ? 34.221 25.996 31.388 1.00 26.74 ? 410 LEU B CG 1 ATOM 3016 C CD1 . LEU B 2 203 ? 33.786 27.064 30.400 1.00 26.72 ? 410 LEU B CD1 1 ATOM 3017 C CD2 . LEU B 2 203 ? 33.800 26.378 32.807 1.00 22.83 ? 410 LEU B CD2 1 ATOM 3018 N N . THR B 2 204 ? 36.227 25.116 28.660 1.00 37.51 ? 411 THR B N 1 ATOM 3019 C CA . THR B 2 204 ? 37.623 25.297 28.332 1.00 40.47 ? 411 THR B CA 1 ATOM 3020 C C . THR B 2 204 ? 38.092 26.630 28.907 1.00 43.31 ? 411 THR B C 1 ATOM 3021 O O . THR B 2 204 ? 37.600 27.685 28.517 1.00 48.02 ? 411 THR B O 1 ATOM 3022 C CB . THR B 2 204 ? 37.781 25.232 26.795 1.00 47.34 ? 411 THR B CB 1 ATOM 3023 O OG1 . THR B 2 204 ? 37.510 23.889 26.348 1.00 44.60 ? 411 THR B OG1 1 ATOM 3024 C CG2 . THR B 2 204 ? 39.170 25.667 26.340 1.00 36.88 ? 411 THR B CG2 1 ATOM 3025 N N . VAL B 2 205 ? 39.030 26.574 29.849 1.00 49.12 ? 412 VAL B N 1 ATOM 3026 C CA . VAL B 2 205 ? 39.487 27.769 30.585 1.00 51.26 ? 412 VAL B CA 1 ATOM 3027 C C . VAL B 2 205 ? 41.018 27.956 30.578 1.00 52.87 ? 412 VAL B C 1 ATOM 3028 O O . VAL B 2 205 ? 41.765 26.978 30.496 1.00 50.76 ? 412 VAL B O 1 ATOM 3029 C CB . VAL B 2 205 ? 38.978 27.753 32.048 1.00 51.34 ? 412 VAL B CB 1 ATOM 3030 C CG1 . VAL B 2 205 ? 37.458 27.814 32.092 1.00 56.37 ? 412 VAL B CG1 1 ATOM 3031 C CG2 . VAL B 2 205 ? 39.466 26.517 32.786 1.00 52.82 ? 412 VAL B CG2 1 ATOM 3032 N N . ASP B 2 206 ? 41.465 29.212 30.663 1.00 51.91 ? 413 ASP B N 1 ATOM 3033 C CA . ASP B 2 206 ? 42.888 29.563 30.810 1.00 50.58 ? 413 ASP B CA 1 ATOM 3034 C C . ASP B 2 206 ? 43.499 28.817 31.988 1.00 50.87 ? 413 ASP B C 1 ATOM 3035 O O . ASP B 2 206 ? 42.992 28.914 33.108 1.00 54.97 ? 413 ASP B O 1 ATOM 3036 C CB . ASP B 2 206 ? 43.063 31.079 31.014 1.00 50.79 ? 413 ASP B CB 1 ATOM 3037 C CG . ASP B 2 206 ? 42.585 31.905 29.807 1.00 69.83 ? 413 ASP B CG 1 ATOM 3038 O OD1 . ASP B 2 206 ? 42.110 33.043 30.014 1.00 67.96 ? 413 ASP B OD1 1 ATOM 3039 O OD2 . ASP B 2 206 ? 42.677 31.422 28.653 1.00 61.83 ? 413 ASP B OD2 1 ATOM 3040 N N . LYS B 2 207 ? 44.578 28.074 31.727 1.00 48.01 ? 414 LYS B N 1 ATOM 3041 C CA . LYS B 2 207 ? 45.197 27.162 32.715 1.00 49.19 ? 414 LYS B CA 1 ATOM 3042 C C . LYS B 2 207 ? 45.419 27.792 34.096 1.00 49.37 ? 414 LYS B C 1 ATOM 3043 O O . LYS B 2 207 ? 45.251 27.129 35.129 1.00 41.74 ? 414 LYS B O 1 ATOM 3044 C CB . LYS B 2 207 ? 46.518 26.599 32.171 1.00 46.23 ? 414 LYS B CB 1 ATOM 3045 C CG . LYS B 2 207 ? 47.245 25.634 33.103 1.00 50.60 ? 414 LYS B CG 1 ATOM 3046 C CD . LYS B 2 207 ? 48.592 25.212 32.529 1.00 57.87 ? 414 LYS B CD 1 ATOM 3047 C CE . LYS B 2 207 ? 49.526 26.406 32.391 1.00 65.44 ? 414 LYS B CE 1 ATOM 3048 N NZ . LYS B 2 207 ? 50.495 26.220 31.279 1.00 68.58 ? 414 LYS B NZ 1 ATOM 3049 N N . SER B 2 208 ? 45.789 29.075 34.093 1.00 43.77 ? 415 SER B N 1 ATOM 3050 C CA . SER B 2 208 ? 46.030 29.833 35.312 1.00 44.78 ? 415 SER B CA 1 ATOM 3051 C C . SER B 2 208 ? 44.835 29.716 36.266 1.00 49.98 ? 415 SER B C 1 ATOM 3052 O O . SER B 2 208 ? 45.000 29.479 37.471 1.00 48.75 ? 415 SER B O 1 ATOM 3053 C CB . SER B 2 208 ? 46.319 31.297 34.961 1.00 45.44 ? 415 SER B CB 1 ATOM 3054 O OG . SER B 2 208 ? 46.566 32.085 36.115 1.00 41.95 ? 415 SER B OG 1 ATOM 3055 N N . ARG B 2 209 ? 43.634 29.849 35.706 1.00 45.55 ? 416 ARG B N 1 ATOM 3056 C CA . ARG B 2 209 ? 42.413 29.876 36.497 1.00 43.70 ? 416 ARG B CA 1 ATOM 3057 C C . ARG B 2 209 ? 42.197 28.556 37.191 1.00 43.47 ? 416 ARG B C 1 ATOM 3058 O O . ARG B 2 209 ? 41.852 28.529 38.363 1.00 57.74 ? 416 ARG B O 1 ATOM 3059 C CB . ARG B 2 209 ? 41.208 30.244 35.639 1.00 46.71 ? 416 ARG B CB 1 ATOM 3060 C CG . ARG B 2 209 ? 41.252 31.667 35.108 1.00 42.46 ? 416 ARG B CG 1 ATOM 3061 C CD . ARG B 2 209 ? 40.081 31.946 34.189 1.00 49.57 ? 416 ARG B CD 1 ATOM 3062 N NE . ARG B 2 209 ? 38.812 31.974 34.909 1.00 56.42 ? 416 ARG B NE 1 ATOM 3063 C CZ . ARG B 2 209 ? 37.633 31.714 34.357 1.00 59.07 ? 416 ARG B CZ 1 ATOM 3064 N NH1 . ARG B 2 209 ? 37.552 31.389 33.071 1.00 63.97 ? 416 ARG B NH1 1 ATOM 3065 N NH2 . ARG B 2 209 ? 36.538 31.766 35.096 1.00 56.40 ? 416 ARG B NH2 1 ATOM 3066 N N . TRP B 2 210 ? 42.432 27.460 36.481 1.00 47.11 ? 417 TRP B N 1 ATOM 3067 C CA . TRP B 2 210 ? 42.378 26.137 37.110 1.00 48.63 ? 417 TRP B CA 1 ATOM 3068 C C . TRP B 2 210 ? 43.376 25.976 38.232 1.00 56.42 ? 417 TRP B C 1 ATOM 3069 O O . TRP B 2 210 ? 43.057 25.429 39.295 1.00 53.57 ? 417 TRP B O 1 ATOM 3070 C CB . TRP B 2 210 ? 42.583 25.038 36.079 1.00 38.53 ? 417 TRP B CB 1 ATOM 3071 C CG . TRP B 2 210 ? 42.552 23.669 36.696 1.00 37.19 ? 417 TRP B CG 1 ATOM 3072 C CD1 . TRP B 2 210 ? 43.624 22.809 36.896 1.00 39.40 ? 417 TRP B CD1 1 ATOM 3073 C CD2 . TRP B 2 210 ? 41.387 22.963 37.244 1.00 37.37 ? 417 TRP B CD2 1 ATOM 3074 N NE1 . TRP B 2 210 ? 43.214 21.643 37.495 1.00 46.43 ? 417 TRP B NE1 1 ATOM 3075 C CE2 . TRP B 2 210 ? 41.884 21.671 37.736 1.00 42.76 ? 417 TRP B CE2 1 ATOM 3076 C CE3 . TRP B 2 210 ? 40.035 23.258 37.374 1.00 38.29 ? 417 TRP B CE3 1 ATOM 3077 C CZ2 . TRP B 2 210 ? 41.042 20.732 38.326 1.00 33.88 ? 417 TRP B CZ2 1 ATOM 3078 C CZ3 . TRP B 2 210 ? 39.195 22.300 37.970 1.00 40.81 ? 417 TRP B CZ3 1 ATOM 3079 C CH2 . TRP B 2 210 ? 39.693 21.067 38.431 1.00 36.06 ? 417 TRP B CH2 1 ATOM 3080 N N . GLN B 2 211 ? 44.594 26.456 38.002 1.00 62.17 ? 418 GLN B N 1 ATOM 3081 C CA . GLN B 2 211 ? 45.696 26.245 38.938 1.00 58.61 ? 418 GLN B CA 1 ATOM 3082 C C . GLN B 2 211 ? 45.525 27.021 40.240 1.00 58.00 ? 418 GLN B C 1 ATOM 3083 O O . GLN B 2 211 ? 45.967 26.547 41.291 1.00 47.33 ? 418 GLN B O 1 ATOM 3084 C CB . GLN B 2 211 ? 47.025 26.603 38.284 1.00 53.73 ? 418 GLN B CB 1 ATOM 3085 C CG . GLN B 2 211 ? 47.389 25.700 37.127 1.00 48.93 ? 418 GLN B CG 1 ATOM 3086 C CD . GLN B 2 211 ? 48.655 26.130 36.415 1.00 55.37 ? 418 GLN B CD 1 ATOM 3087 O OE1 . GLN B 2 211 ? 49.451 25.281 36.007 1.00 49.36 ? 418 GLN B OE1 1 ATOM 3088 N NE2 . GLN B 2 211 ? 48.851 27.450 36.255 1.00 46.18 ? 418 GLN B NE2 1 ATOM 3089 N N . GLN B 2 212 ? 44.895 28.202 40.152 1.00 54.15 ? 419 GLN B N 1 ATOM 3090 C CA . GLN B 2 212 ? 44.546 29.032 41.315 1.00 45.96 ? 419 GLN B CA 1 ATOM 3091 C C . GLN B 2 212 ? 43.693 28.297 42.342 1.00 49.38 ? 419 GLN B C 1 ATOM 3092 O O . GLN B 2 212 ? 43.722 28.632 43.521 1.00 66.62 ? 419 GLN B O 1 ATOM 3093 C CB . GLN B 2 212 ? 43.776 30.270 40.879 1.00 45.42 ? 419 GLN B CB 1 ATOM 3094 C CG . GLN B 2 212 ? 44.638 31.427 40.440 1.00 57.25 ? 419 GLN B CG 1 ATOM 3095 C CD . GLN B 2 212 ? 43.834 32.563 39.833 1.00 78.76 ? 419 GLN B CD 1 ATOM 3096 O OE1 . GLN B 2 212 ? 42.868 33.059 40.426 1.00 80.19 ? 419 GLN B OE1 1 ATOM 3097 N NE2 . GLN B 2 212 ? 44.237 32.987 38.641 1.00 83.94 ? 419 GLN B NE2 1 ATOM 3098 N N . GLY B 2 213 ? 42.930 27.305 41.893 1.00 47.21 ? 420 GLY B N 1 ATOM 3099 C CA . GLY B 2 213 ? 41.987 26.609 42.763 1.00 51.87 ? 420 GLY B CA 1 ATOM 3100 C C . GLY B 2 213 ? 40.567 27.121 42.569 1.00 55.38 ? 420 GLY B C 1 ATOM 3101 O O . GLY B 2 213 ? 39.623 26.620 43.190 1.00 53.03 ? 420 GLY B O 1 ATOM 3102 N N . ASN B 2 214 ? 40.426 28.121 41.697 1.00 51.00 ? 421 ASN B N 1 ATOM 3103 C CA . ASN B 2 214 ? 39.134 28.692 41.338 1.00 52.82 ? 421 ASN B CA 1 ATOM 3104 C C . ASN B 2 214 ? 38.070 27.617 41.193 1.00 49.75 ? 421 ASN B C 1 ATOM 3105 O O . ASN B 2 214 ? 38.316 26.573 40.595 1.00 48.66 ? 421 ASN B O 1 ATOM 3106 C CB . ASN B 2 214 ? 39.260 29.496 40.049 1.00 59.20 ? 421 ASN B CB 1 ATOM 3107 C CG . ASN B 2 214 ? 38.105 30.444 39.836 1.00 74.72 ? 421 ASN B CG 1 ATOM 3108 O OD1 . ASN B 2 214 ? 36.983 30.018 39.576 1.00 85.60 ? 421 ASN B OD1 1 ATOM 3109 N ND2 . ASN B 2 214 ? 38.378 31.743 39.927 1.00 88.65 ? 421 ASN B ND2 1 ATOM 3110 N N . VAL B 2 215 ? 36.903 27.872 41.779 1.00 52.93 ? 422 VAL B N 1 ATOM 3111 C CA . VAL B 2 215 ? 35.806 26.906 41.793 1.00 47.08 ? 422 VAL B CA 1 ATOM 3112 C C . VAL B 2 215 ? 34.861 27.166 40.624 1.00 47.77 ? 422 VAL B C 1 ATOM 3113 O O . VAL B 2 215 ? 34.399 28.288 40.401 1.00 43.98 ? 422 VAL B O 1 ATOM 3114 C CB . VAL B 2 215 ? 35.041 26.901 43.143 1.00 51.30 ? 422 VAL B CB 1 ATOM 3115 C CG1 . VAL B 2 215 ? 33.992 25.799 43.164 1.00 42.14 ? 422 VAL B CG1 1 ATOM 3116 C CG2 . VAL B 2 215 ? 36.003 26.716 44.317 1.00 47.05 ? 422 VAL B CG2 1 ATOM 3117 N N . PHE B 2 216 ? 34.611 26.112 39.860 1.00 52.34 ? 423 PHE B N 1 ATOM 3118 C CA . PHE B 2 216 ? 33.746 26.177 38.704 1.00 41.59 ? 423 PHE B CA 1 ATOM 3119 C C . PHE B 2 216 ? 32.559 25.269 38.962 1.00 49.72 ? 423 PHE B C 1 ATOM 3120 O O . PHE B 2 216 ? 32.677 24.269 39.684 1.00 52.85 ? 423 PHE B O 1 ATOM 3121 C CB . PHE B 2 216 ? 34.499 25.697 37.470 1.00 41.89 ? 423 PHE B CB 1 ATOM 3122 C CG . PHE B 2 216 ? 35.585 26.627 37.016 1.00 39.62 ? 423 PHE B CG 1 ATOM 3123 C CD1 . PHE B 2 216 ? 36.898 26.457 37.457 1.00 38.48 ? 423 PHE B CD1 1 ATOM 3124 C CD2 . PHE B 2 216 ? 35.305 27.661 36.130 1.00 37.66 ? 423 PHE B CD2 1 ATOM 3125 C CE1 . PHE B 2 216 ? 37.908 27.309 37.023 1.00 41.78 ? 423 PHE B CE1 1 ATOM 3126 C CE2 . PHE B 2 216 ? 36.313 28.521 35.700 1.00 43.28 ? 423 PHE B CE2 1 ATOM 3127 C CZ . PHE B 2 216 ? 37.614 28.344 36.144 1.00 41.54 ? 423 PHE B CZ 1 ATOM 3128 N N . SER B 2 217 ? 31.415 25.613 38.377 1.00 45.23 ? 424 SER B N 1 ATOM 3129 C CA . SER B 2 217 ? 30.201 24.850 38.617 1.00 44.73 ? 424 SER B CA 1 ATOM 3130 C C . SER B 2 217 ? 29.562 24.427 37.308 1.00 40.64 ? 424 SER B C 1 ATOM 3131 O O . SER B 2 217 ? 29.440 25.210 36.374 1.00 43.01 ? 424 SER B O 1 ATOM 3132 C CB . SER B 2 217 ? 29.203 25.654 39.461 1.00 45.08 ? 424 SER B CB 1 ATOM 3133 O OG . SER B 2 217 ? 29.837 26.291 40.563 1.00 55.14 ? 424 SER B OG 1 ATOM 3134 N N . CYS B 2 218 ? 29.172 23.168 37.259 1.00 32.14 ? 425 CYS B N 1 ATOM 3135 C CA . CYS B 2 218 ? 28.379 22.643 36.187 1.00 40.56 ? 425 CYS B CA 1 ATOM 3136 C C . CYS B 2 218 ? 26.865 22.644 36.556 1.00 52.63 ? 425 CYS B C 1 ATOM 3137 O O . CYS B 2 218 ? 26.448 22.008 37.530 1.00 46.75 ? 425 CYS B O 1 ATOM 3138 C CB . CYS B 2 218 ? 28.841 21.224 35.902 1.00 35.04 ? 425 CYS B CB 1 ATOM 3139 S SG . CYS B 2 218 ? 27.947 20.590 34.503 1.00 45.15 ? 425 CYS B SG 1 ATOM 3140 N N . SER B 2 219 ? 26.046 23.346 35.775 1.00 49.65 ? 426 SER B N 1 ATOM 3141 C CA . SER B 2 219 ? 24.614 23.463 36.077 1.00 46.45 ? 426 SER B CA 1 ATOM 3142 C C . SER B 2 219 ? 23.808 22.583 35.141 1.00 42.74 ? 426 SER B C 1 ATOM 3143 O O . SER B 2 219 ? 24.036 22.597 33.934 1.00 50.26 ? 426 SER B O 1 ATOM 3144 C CB . SER B 2 219 ? 24.143 24.914 35.938 1.00 47.41 ? 426 SER B CB 1 ATOM 3145 O OG . SER B 2 219 ? 24.945 25.804 36.700 1.00 54.55 ? 426 SER B OG 1 ATOM 3146 N N . VAL B 2 220 ? 22.866 21.821 35.690 1.00 36.12 ? 427 VAL B N 1 ATOM 3147 C CA . VAL B 2 220 ? 22.005 20.968 34.872 1.00 37.36 ? 427 VAL B CA 1 ATOM 3148 C C . VAL B 2 220 ? 20.505 21.180 35.147 1.00 50.08 ? 427 VAL B C 1 ATOM 3149 O O . VAL B 2 220 ? 20.034 21.085 36.297 1.00 42.52 ? 427 VAL B O 1 ATOM 3150 C CB . VAL B 2 220 ? 22.361 19.482 35.032 1.00 34.59 ? 427 VAL B CB 1 ATOM 3151 C CG1 . VAL B 2 220 ? 21.379 18.606 34.267 1.00 34.95 ? 427 VAL B CG1 1 ATOM 3152 C CG2 . VAL B 2 220 ? 23.784 19.217 34.553 1.00 41.60 ? 427 VAL B CG2 1 ATOM 3153 N N . MET B 2 221 ? 19.763 21.467 34.079 1.00 46.75 ? 428 MET B N 1 ATOM 3154 C CA . MET B 2 221 ? 18.310 21.555 34.149 1.00 42.28 ? 428 MET B CA 1 ATOM 3155 C C . MET B 2 221 ? 17.737 20.313 33.503 1.00 42.12 ? 428 MET B C 1 ATOM 3156 O O . MET B 2 221 ? 18.180 19.923 32.419 1.00 45.32 ? 428 MET B O 1 ATOM 3157 C CB . MET B 2 221 ? 17.808 22.806 33.425 1.00 48.29 ? 428 MET B CB 1 ATOM 3158 C CG . MET B 2 221 ? 18.031 24.098 34.192 1.00 55.81 ? 428 MET B CG 1 ATOM 3159 S SD . MET B 2 221 ? 17.663 25.569 33.219 1.00 67.60 ? 428 MET B SD 1 ATOM 3160 C CE . MET B 2 221 ? 19.094 25.693 32.151 1.00 76.29 ? 428 MET B CE 1 ATOM 3161 N N . HIS B 2 222 ? 16.763 19.691 34.171 1.00 43.57 ? 429 HIS B N 1 ATOM 3162 C CA . HIS B 2 222 ? 16.096 18.467 33.678 1.00 45.91 ? 429 HIS B CA 1 ATOM 3163 C C . HIS B 2 222 ? 14.903 18.143 34.552 1.00 53.27 ? 429 HIS B C 1 ATOM 3164 O O . HIS B 2 222 ? 14.913 18.430 35.751 1.00 55.11 ? 429 HIS B O 1 ATOM 3165 C CB . HIS B 2 222 ? 17.088 17.310 33.625 1.00 33.67 ? 429 HIS B CB 1 ATOM 3166 C CG . HIS B 2 222 ? 16.518 16.024 33.090 1.00 30.27 ? 429 HIS B CG 1 ATOM 3167 N ND1 . HIS B 2 222 ? 15.855 15.146 33.872 1.00 33.17 ? 429 HIS B ND1 1 ATOM 3168 C CD2 . HIS B 2 222 ? 16.570 15.457 31.813 1.00 34.23 ? 429 HIS B CD2 1 ATOM 3169 C CE1 . HIS B 2 222 ? 15.479 14.075 33.132 1.00 43.57 ? 429 HIS B CE1 1 ATOM 3170 N NE2 . HIS B 2 222 ? 15.921 14.264 31.869 1.00 42.39 ? 429 HIS B NE2 1 ATOM 3171 N N . GLU B 2 223 ? 13.862 17.550 33.966 1.00 55.96 ? 430 GLU B N 1 ATOM 3172 C CA . GLU B 2 223 ? 12.580 17.387 34.668 1.00 50.15 ? 430 GLU B CA 1 ATOM 3173 C C . GLU B 2 223 ? 12.606 16.475 35.901 1.00 49.92 ? 430 GLU B C 1 ATOM 3174 O O . GLU B 2 223 ? 11.852 16.707 36.844 1.00 56.04 ? 430 GLU B O 1 ATOM 3175 C CB . GLU B 2 223 ? 11.488 16.926 33.702 1.00 54.02 ? 430 GLU B CB 1 ATOM 3176 C CG . GLU B 2 223 ? 11.378 15.422 33.545 1.00 56.13 ? 430 GLU B CG 1 ATOM 3177 C CD . GLU B 2 223 ? 10.365 15.023 32.498 1.00 63.18 ? 430 GLU B CD 1 ATOM 3178 O OE1 . GLU B 2 223 ? 10.556 15.394 31.319 1.00 66.97 ? 430 GLU B OE1 1 ATOM 3179 O OE2 . GLU B 2 223 ? 9.386 14.333 32.855 1.00 63.94 ? 430 GLU B OE2 1 ATOM 3180 N N . ALA B 2 224 ? 13.470 15.457 35.883 1.00 53.35 ? 431 ALA B N 1 ATOM 3181 C CA . ALA B 2 224 ? 13.503 14.400 36.910 1.00 44.49 ? 431 ALA B CA 1 ATOM 3182 C C . ALA B 2 224 ? 14.373 14.723 38.134 1.00 54.48 ? 431 ALA B C 1 ATOM 3183 O O . ALA B 2 224 ? 14.425 13.938 39.087 1.00 55.70 ? 431 ALA B O 1 ATOM 3184 C CB . ALA B 2 224 ? 13.922 13.069 36.294 1.00 34.00 ? 431 ALA B CB 1 ATOM 3185 N N . LEU B 2 225 ? 15.055 15.867 38.097 1.00 50.89 ? 432 LEU B N 1 ATOM 3186 C CA . LEU B 2 225 ? 15.825 16.355 39.236 1.00 52.58 ? 432 LEU B CA 1 ATOM 3187 C C . LEU B 2 225 ? 14.915 17.094 40.181 1.00 59.31 ? 432 LEU B C 1 ATOM 3188 O O . LEU B 2 225 ? 13.869 17.594 39.772 1.00 62.48 ? 432 LEU B O 1 ATOM 3189 C CB . LEU B 2 225 ? 16.889 17.348 38.784 1.00 51.91 ? 432 LEU B CB 1 ATOM 3190 C CG . LEU B 2 225 ? 18.129 16.895 38.039 1.00 52.43 ? 432 LEU B CG 1 ATOM 3191 C CD1 . LEU B 2 225 ? 18.881 18.143 37.619 1.00 61.32 ? 432 LEU B CD1 1 ATOM 3192 C CD2 . LEU B 2 225 ? 18.992 16.031 38.931 1.00 53.16 ? 432 LEU B CD2 1 ATOM 3193 N N . HIS B 2 226 ? 15.332 17.197 41.440 1.00 65.24 ? 433 HIS B N 1 ATOM 3194 C CA . HIS B 2 226 ? 14.608 18.015 42.393 1.00 59.74 ? 433 HIS B CA 1 ATOM 3195 C C . HIS B 2 226 ? 14.789 19.458 42.043 1.00 57.21 ? 433 HIS B C 1 ATOM 3196 O O . HIS B 2 226 ? 15.917 19.940 41.923 1.00 53.96 ? 433 HIS B O 1 ATOM 3197 C CB . HIS B 2 226 ? 15.039 17.756 43.831 1.00 55.72 ? 433 HIS B CB 1 ATOM 3198 C CG . HIS B 2 226 ? 14.300 18.612 44.832 1.00 74.66 ? 433 HIS B CG 1 ATOM 3199 N ND1 . HIS B 2 226 ? 13.050 18.322 45.253 1.00 77.40 ? 433 HIS B ND1 1 ATOM 3200 C CD2 . HIS B 2 226 ? 14.659 19.807 45.460 1.00 74.25 ? 433 HIS B CD2 1 ATOM 3201 C CE1 . HIS B 2 226 ? 12.638 19.267 46.121 1.00 70.91 ? 433 HIS B CE1 1 ATOM 3202 N NE2 . HIS B 2 226 ? 13.625 20.175 46.249 1.00 70.52 ? 433 HIS B NE2 1 ATOM 3203 N N . ASN B 2 227 ? 13.660 20.146 41.882 1.00 60.01 ? 434 ASN B N 1 ATOM 3204 C CA . ASN B 2 227 ? 13.609 21.552 41.471 1.00 55.66 ? 434 ASN B CA 1 ATOM 3205 C C . ASN B 2 227 ? 14.014 21.741 40.016 1.00 48.66 ? 434 ASN B C 1 ATOM 3206 O O . ASN B 2 227 ? 14.285 22.864 39.587 1.00 48.46 ? 434 ASN B O 1 ATOM 3207 C CB . ASN B 2 227 ? 14.446 22.450 42.391 1.00 56.40 ? 434 ASN B CB 1 ATOM 3208 C CG . ASN B 2 227 ? 13.769 22.736 43.724 1.00 66.22 ? 434 ASN B CG 1 ATOM 3209 O OD1 . ASN B 2 227 ? 14.248 23.560 44.504 1.00 75.11 ? 434 ASN B OD1 1 ATOM 3210 N ND2 . ASN B 2 227 ? 12.654 22.065 43.992 1.00 79.98 ? 434 ASN B ND2 1 ATOM 3211 N N . ALA B 2 228 ? 14.033 20.632 39.269 1.00 44.74 ? 435 ALA B N 1 ATOM 3212 C CA . ALA B 2 228 ? 14.459 20.604 37.864 1.00 48.47 ? 435 ALA B CA 1 ATOM 3213 C C . ALA B 2 228 ? 15.873 21.146 37.676 1.00 52.03 ? 435 ALA B C 1 ATOM 3214 O O . ALA B 2 228 ? 16.220 21.609 36.589 1.00 51.42 ? 435 ALA B O 1 ATOM 3215 C CB . ALA B 2 228 ? 13.482 21.378 36.984 1.00 38.07 ? 435 ALA B CB 1 ATOM 3216 N N . TYR B 2 229 ? 16.683 21.082 38.734 1.00 49.71 ? 436 TYR B N 1 ATOM 3217 C CA . TYR B 2 229 ? 17.949 21.805 38.766 1.00 54.03 ? 436 TYR B CA 1 ATOM 3218 C C . TYR B 2 229 ? 18.972 21.182 39.714 1.00 55.62 ? 436 TYR B C 1 ATOM 3219 O O . TYR B 2 229 ? 18.613 20.652 40.766 1.00 58.47 ? 436 TYR B O 1 ATOM 3220 C CB . TYR B 2 229 ? 17.683 23.246 39.172 1.00 46.66 ? 436 TYR B CB 1 ATOM 3221 C CG . TYR B 2 229 ? 18.788 24.219 38.861 1.00 56.16 ? 436 TYR B CG 1 ATOM 3222 C CD1 . TYR B 2 229 ? 19.616 24.708 39.867 1.00 61.35 ? 436 TYR B CD1 1 ATOM 3223 C CD2 . TYR B 2 229 ? 18.987 24.680 37.562 1.00 67.93 ? 436 TYR B CD2 1 ATOM 3224 C CE1 . TYR B 2 229 ? 20.625 25.622 39.585 1.00 64.85 ? 436 TYR B CE1 1 ATOM 3225 C CE2 . TYR B 2 229 ? 19.993 25.590 37.266 1.00 68.77 ? 436 TYR B CE2 1 ATOM 3226 C CZ . TYR B 2 229 ? 20.809 26.059 38.277 1.00 60.41 ? 436 TYR B CZ 1 ATOM 3227 O OH . TYR B 2 229 ? 21.801 26.968 37.979 1.00 58.04 ? 436 TYR B OH 1 ATOM 3228 N N . THR B 2 230 ? 20.244 21.262 39.323 1.00 54.44 ? 437 THR B N 1 ATOM 3229 C CA . THR B 2 230 ? 21.371 20.751 40.114 1.00 44.09 ? 437 THR B CA 1 ATOM 3230 C C . THR B 2 230 ? 22.688 21.408 39.708 1.00 42.77 ? 437 THR B C 1 ATOM 3231 O O . THR B 2 230 ? 22.861 21.827 38.557 1.00 45.14 ? 437 THR B O 1 ATOM 3232 C CB . THR B 2 230 ? 21.515 19.223 40.000 1.00 43.45 ? 437 THR B CB 1 ATOM 3233 O OG1 . THR B 2 230 ? 22.378 18.756 41.039 1.00 43.05 ? 437 THR B OG1 1 ATOM 3234 C CG2 . THR B 2 230 ? 22.093 18.819 38.637 1.00 45.97 ? 437 THR B CG2 1 ATOM 3235 N N . GLN B 2 231 ? 23.615 21.471 40.659 1.00 42.75 ? 438 GLN B N 1 ATOM 3236 C CA . GLN B 2 231 ? 24.860 22.218 40.509 1.00 44.55 ? 438 GLN B CA 1 ATOM 3237 C C . GLN B 2 231 ? 26.014 21.462 41.172 1.00 52.60 ? 438 GLN B C 1 ATOM 3238 O O . GLN B 2 231 ? 26.092 21.384 42.404 1.00 62.16 ? 438 GLN B O 1 ATOM 3239 C CB . GLN B 2 231 ? 24.698 23.592 41.151 1.00 45.81 ? 438 GLN B CB 1 ATOM 3240 C CG . GLN B 2 231 ? 25.141 24.758 40.289 1.00 65.22 ? 438 GLN B CG 1 ATOM 3241 C CD . GLN B 2 231 ? 24.538 26.077 40.748 1.00 73.68 ? 438 GLN B CD 1 ATOM 3242 O OE1 . GLN B 2 231 ? 24.682 26.469 41.905 1.00 85.89 ? 438 GLN B OE1 1 ATOM 3243 N NE2 . GLN B 2 231 ? 23.855 26.768 39.838 1.00 63.28 ? 438 GLN B NE2 1 ATOM 3244 N N . LYS B 2 232 ? 26.899 20.895 40.353 1.00 52.52 ? 439 LYS B N 1 ATOM 3245 C CA . LYS B 2 232 ? 28.090 20.190 40.839 1.00 39.59 ? 439 LYS B CA 1 ATOM 3246 C C . LYS B 2 232 ? 29.357 21.000 40.573 1.00 39.70 ? 439 LYS B C 1 ATOM 3247 O O . LYS B 2 232 ? 29.619 21.409 39.439 1.00 44.77 ? 439 LYS B O 1 ATOM 3248 C CB . LYS B 2 232 ? 28.202 18.819 40.183 1.00 41.41 ? 439 LYS B CB 1 ATOM 3249 C CG . LYS B 2 232 ? 26.969 17.935 40.340 1.00 51.77 ? 439 LYS B CG 1 ATOM 3250 C CD . LYS B 2 232 ? 26.761 17.477 41.775 1.00 50.91 ? 439 LYS B CD 1 ATOM 3251 C CE . LYS B 2 232 ? 25.513 16.625 41.909 1.00 49.31 ? 439 LYS B CE 1 ATOM 3252 N NZ . LYS B 2 232 ? 25.289 16.318 43.345 1.00 62.11 ? 439 LYS B NZ 1 ATOM 3253 N N . SER B 2 233 ? 30.138 21.234 41.623 1.00 38.94 ? 440 SER B N 1 ATOM 3254 C CA . SER B 2 233 ? 31.343 22.061 41.527 1.00 42.52 ? 440 SER B CA 1 ATOM 3255 C C . SER B 2 233 ? 32.577 21.257 41.107 1.00 44.63 ? 440 SER B C 1 ATOM 3256 O O . SER B 2 233 ? 32.640 20.034 41.310 1.00 38.97 ? 440 SER B O 1 ATOM 3257 C CB . SER B 2 233 ? 31.617 22.760 42.860 1.00 44.41 ? 440 SER B CB 1 ATOM 3258 O OG . SER B 2 233 ? 32.046 21.830 43.839 1.00 40.75 ? 440 SER B OG 1 ATOM 3259 N N . LEU B 2 234 ? 33.545 21.956 40.519 1.00 35.81 ? 441 LEU B N 1 ATOM 3260 C CA . LEU B 2 234 ? 34.788 21.346 40.084 1.00 42.08 ? 441 LEU B CA 1 ATOM 3261 C C . LEU B 2 234 ? 35.957 22.289 40.373 1.00 48.63 ? 441 LEU B C 1 ATOM 3262 O O . LEU B 2 234 ? 35.972 23.450 39.930 1.00 46.81 ? 441 LEU B O 1 ATOM 3263 C CB . LEU B 2 234 ? 34.713 20.978 38.597 1.00 46.04 ? 441 LEU B CB 1 ATOM 3264 C CG . LEU B 2 234 ? 35.933 20.376 37.885 1.00 48.13 ? 441 LEU B CG 1 ATOM 3265 C CD1 . LEU B 2 234 ? 36.397 19.106 38.569 1.00 45.71 ? 441 LEU B CD1 1 ATOM 3266 C CD2 . LEU B 2 234 ? 35.609 20.080 36.426 1.00 49.82 ? 441 LEU B CD2 1 ATOM 3267 N N . SER B 2 235 ? 36.919 21.790 41.146 1.00 43.32 ? 442 SER B N 1 ATOM 3268 C CA . SER B 2 235 ? 38.118 22.559 41.493 1.00 46.14 ? 442 SER B CA 1 ATOM 3269 C C . SER B 2 235 ? 39.290 21.609 41.764 1.00 46.60 ? 442 SER B C 1 ATOM 3270 O O . SER B 2 235 ? 39.136 20.381 41.639 1.00 41.01 ? 442 SER B O 1 ATOM 3271 C CB . SER B 2 235 ? 37.847 23.495 42.681 1.00 43.18 ? 442 SER B CB 1 ATOM 3272 O OG . SER B 2 235 ? 37.274 22.779 43.762 1.00 51.95 ? 442 SER B OG 1 ATOM 3273 N N . LEU B 2 236 ? 40.443 22.176 42.131 1.00 52.98 ? 443 LEU B N 1 ATOM 3274 C CA . LEU B 2 236 ? 41.707 21.425 42.273 1.00 68.81 ? 443 LEU B CA 1 ATOM 3275 C C . LEU B 2 236 ? 41.819 20.503 43.504 1.00 67.60 ? 443 LEU B C 1 ATOM 3276 O O . LEU B 2 236 ? 40.936 20.454 44.362 1.00 70.94 ? 443 LEU B O 1 ATOM 3277 C CB . LEU B 2 236 ? 42.910 22.384 42.216 1.00 65.47 ? 443 LEU B CB 1 ATOM 3278 C CG . LEU B 2 236 ? 44.154 21.848 41.490 1.00 63.68 ? 443 LEU B CG 1 ATOM 3279 C CD1 . LEU B 2 236 ? 44.910 22.961 40.780 1.00 64.34 ? 443 LEU B CD1 1 ATOM 3280 C CD2 . LEU B 2 236 ? 45.077 21.070 42.422 1.00 90.31 ? 443 LEU B CD2 1 ATOM 3281 N N . ASP C 3 1 ? 58.700 1.792 12.347 1.00 45.65 ? 1 ASP C N 1 ATOM 3282 C CA . ASP C 3 1 ? 57.563 2.384 13.077 1.00 55.47 ? 1 ASP C CA 1 ATOM 3283 C C . ASP C 3 1 ? 56.234 1.930 12.481 1.00 61.09 ? 1 ASP C C 1 ATOM 3284 O O . ASP C 3 1 ? 55.740 2.510 11.513 1.00 67.87 ? 1 ASP C O 1 ATOM 3285 C CB . ASP C 3 1 ? 57.665 3.911 13.073 1.00 55.15 ? 1 ASP C CB 1 ATOM 3286 C CG . ASP C 3 1 ? 57.763 4.494 14.465 1.00 66.61 ? 1 ASP C CG 1 ATOM 3287 O OD1 . ASP C 3 1 ? 58.105 5.690 14.574 1.00 75.16 ? 1 ASP C OD1 1 ATOM 3288 O OD2 . ASP C 3 1 ? 57.487 3.767 15.449 1.00 57.35 ? 1 ASP C OD2 1 ATOM 3289 N N . CYS C 3 2 ? 55.666 0.882 13.063 1.00 45.86 ? 2 CYS C N 1 ATOM 3290 C CA . CYS C 3 2 ? 54.346 0.426 12.683 1.00 47.59 ? 2 CYS C CA 1 ATOM 3291 C C . CYS C 3 2 ? 53.377 0.530 13.860 1.00 47.42 ? 2 CYS C C 1 ATOM 3292 O O . CYS C 3 2 ? 53.704 0.132 14.977 1.00 46.03 ? 2 CYS C O 1 ATOM 3293 C CB . CYS C 3 2 ? 54.403 -1.012 12.158 1.00 46.78 ? 2 CYS C CB 1 ATOM 3294 S SG . CYS C 3 2 ? 55.382 -1.212 10.649 1.00 53.37 ? 2 CYS C SG 1 ATOM 3295 N N . ALA C 3 3 ? 52.189 1.076 13.608 1.00 41.58 ? 3 ALA C N 1 ATOM 3296 C CA . ALA C 3 3 ? 51.099 0.988 14.573 1.00 35.13 ? 3 ALA C CA 1 ATOM 3297 C C . ALA C 3 3 ? 50.177 -0.161 14.196 1.00 38.82 ? 3 ALA C C 1 ATOM 3298 O O . ALA C 3 3 ? 49.836 -0.340 13.020 1.00 42.07 ? 3 ALA C O 1 ATOM 3299 C CB . ALA C 3 3 ? 50.330 2.291 14.650 1.00 30.62 ? 3 ALA C CB 1 ATOM 3300 N N . TRP C 3 4 ? 49.797 -0.943 15.202 1.00 40.31 ? 4 TRP C N 1 ATOM 3301 C CA . TRP C 3 4 ? 48.858 -2.046 15.038 1.00 41.63 ? 4 TRP C CA 1 ATOM 3302 C C . TRP C 3 4 ? 47.640 -1.821 15.881 1.00 44.28 ? 4 TRP C C 1 ATOM 3303 O O . TRP C 3 4 ? 47.723 -1.286 16.990 1.00 45.64 ? 4 TRP C O 1 ATOM 3304 C CB . TRP C 3 4 ? 49.495 -3.359 15.466 1.00 45.66 ? 4 TRP C CB 1 ATOM 3305 C CG . TRP C 3 4 ? 50.714 -3.773 14.676 1.00 47.68 ? 4 TRP C CG 1 ATOM 3306 C CD1 . TRP C 3 4 ? 52.029 -3.322 14.824 1.00 47.45 ? 4 TRP C CD1 1 ATOM 3307 C CD2 . TRP C 3 4 ? 50.772 -4.774 13.608 1.00 44.20 ? 4 TRP C CD2 1 ATOM 3308 N NE1 . TRP C 3 4 ? 52.863 -3.952 13.931 1.00 54.91 ? 4 TRP C NE1 1 ATOM 3309 C CE2 . TRP C 3 4 ? 52.173 -4.836 13.176 1.00 46.73 ? 4 TRP C CE2 1 ATOM 3310 C CE3 . TRP C 3 4 ? 49.837 -5.590 12.986 1.00 50.46 ? 4 TRP C CE3 1 ATOM 3311 C CZ2 . TRP C 3 4 ? 52.590 -5.679 12.165 1.00 54.98 ? 4 TRP C CZ2 1 ATOM 3312 C CZ3 . TRP C 3 4 ? 50.272 -6.443 11.963 1.00 63.70 ? 4 TRP C CZ3 1 ATOM 3313 C CH2 . TRP C 3 4 ? 51.614 -6.483 11.563 1.00 56.62 ? 4 TRP C CH2 1 ATOM 3314 N N . HIS C 3 5 ? 46.495 -2.249 15.371 1.00 47.48 ? 5 HIS C N 1 ATOM 3315 C CA . HIS C 3 5 ? 45.240 -2.126 16.097 1.00 49.41 ? 5 HIS C CA 1 ATOM 3316 C C . HIS C 3 5 ? 44.566 -3.466 16.167 1.00 45.10 ? 5 HIS C C 1 ATOM 3317 O O . HIS C 3 5 ? 44.143 -4.006 15.148 1.00 43.10 ? 5 HIS C O 1 ATOM 3318 C CB . HIS C 3 5 ? 44.363 -1.080 15.418 1.00 47.52 ? 5 HIS C CB 1 ATOM 3319 C CG . HIS C 3 5 ? 42.964 -0.999 15.964 1.00 46.34 ? 5 HIS C CG 1 ATOM 3320 N ND1 . HIS C 3 5 ? 42.696 -0.565 17.211 1.00 50.34 ? 5 HIS C ND1 1 ATOM 3321 C CD2 . HIS C 3 5 ? 41.737 -1.290 15.374 1.00 44.83 ? 5 HIS C CD2 1 ATOM 3322 C CE1 . HIS C 3 5 ? 41.367 -0.593 17.418 1.00 47.37 ? 5 HIS C CE1 1 ATOM 3323 N NE2 . HIS C 3 5 ? 40.780 -1.032 16.292 1.00 53.38 ? 5 HIS C NE2 1 ATOM 3324 N N . LEU C 3 6 ? 44.487 -4.015 17.379 1.00 46.37 ? 6 LEU C N 1 ATOM 3325 C CA . LEU C 3 6 ? 43.953 -5.363 17.636 1.00 42.85 ? 6 LEU C CA 1 ATOM 3326 C C . LEU C 3 6 ? 44.461 -6.380 16.620 1.00 42.25 ? 6 LEU C C 1 ATOM 3327 O O . LEU C 3 6 ? 43.680 -7.063 15.966 1.00 38.76 ? 6 LEU C O 1 ATOM 3328 C CB . LEU C 3 6 ? 42.418 -5.362 17.679 1.00 45.29 ? 6 LEU C CB 1 ATOM 3329 C CG . LEU C 3 6 ? 41.682 -4.374 18.596 1.00 54.45 ? 6 LEU C CG 1 ATOM 3330 C CD1 . LEU C 3 6 ? 40.247 -4.173 18.119 1.00 49.82 ? 6 LEU C CD1 1 ATOM 3331 C CD2 . LEU C 3 6 ? 41.716 -4.807 20.058 1.00 53.28 ? 6 LEU C CD2 1 ATOM 3332 N N . GLY C 3 7 ? 45.781 -6.454 16.475 1.00 49.28 ? 7 GLY C N 1 ATOM 3333 C CA . GLY C 3 7 ? 46.411 -7.392 15.543 1.00 43.78 ? 7 GLY C CA 1 ATOM 3334 C C . GLY C 3 7 ? 46.324 -6.992 14.081 1.00 48.40 ? 7 GLY C C 1 ATOM 3335 O O . GLY C 3 7 ? 46.915 -7.648 13.225 1.00 48.43 ? 7 GLY C O 1 ATOM 3336 N N . GLU C 3 8 ? 45.589 -5.920 13.788 1.00 49.68 ? 8 GLU C N 1 ATOM 3337 C CA . GLU C 3 8 ? 45.457 -5.429 12.418 1.00 45.02 ? 8 GLU C CA 1 ATOM 3338 C C . GLU C 3 8 ? 46.394 -4.251 12.143 1.00 39.72 ? 8 GLU C C 1 ATOM 3339 O O . GLU C 3 8 ? 46.546 -3.350 12.970 1.00 46.30 ? 8 GLU C O 1 ATOM 3340 C CB . GLU C 3 8 ? 44.010 -5.054 12.117 1.00 57.36 ? 8 GLU C CB 1 ATOM 3341 C CG . GLU C 3 8 ? 43.168 -6.178 11.539 1.00 64.74 ? 8 GLU C CG 1 ATOM 3342 C CD . GLU C 3 8 ? 42.207 -5.657 10.488 1.00 94.83 ? 8 GLU C CD 1 ATOM 3343 O OE1 . GLU C 3 8 ? 41.030 -5.401 10.828 1.00 96.66 ? 8 GLU C OE1 1 ATOM 3344 O OE2 . GLU C 3 8 ? 42.640 -5.470 9.326 1.00 91.61 ? 8 GLU C OE2 1 ATOM 3345 N N . LEU C 3 9 ? 47.021 -4.266 10.973 1.00 37.22 ? 9 LEU C N 1 ATOM 3346 C CA . LEU C 3 9 ? 48.051 -3.296 10.640 1.00 32.94 ? 9 LEU C CA 1 ATOM 3347 C C . LEU C 3 9 ? 47.435 -1.984 10.162 1.00 35.39 ? 9 LEU C C 1 ATOM 3348 O O . LEU C 3 9 ? 46.689 -1.959 9.175 1.00 40.93 ? 9 LEU C O 1 ATOM 3349 C CB . LEU C 3 9 ? 49.023 -3.865 9.584 1.00 30.77 ? 9 LEU C CB 1 ATOM 3350 C CG . LEU C 3 9 ? 50.190 -2.951 9.151 1.00 30.12 ? 9 LEU C CG 1 ATOM 3351 C CD1 . LEU C 3 9 ? 51.239 -2.817 10.250 1.00 28.42 ? 9 LEU C CD1 1 ATOM 3352 C CD2 . LEU C 3 9 ? 50.821 -3.428 7.855 1.00 26.27 ? 9 LEU C CD2 1 ATOM 3353 N N . VAL C 3 10 ? 47.764 -0.906 10.867 1.00 30.14 ? 10 VAL C N 1 ATOM 3354 C CA . VAL C 3 10 ? 47.278 0.424 10.534 1.00 33.52 ? 10 VAL C CA 1 ATOM 3355 C C . VAL C 3 10 ? 48.241 1.116 9.567 1.00 36.63 ? 10 VAL C C 1 ATOM 3356 O O . VAL C 3 10 ? 47.864 1.423 8.434 1.00 37.79 ? 10 VAL C O 1 ATOM 3357 C CB . VAL C 3 10 ? 47.057 1.311 11.798 1.00 35.01 ? 10 VAL C CB 1 ATOM 3358 C CG1 . VAL C 3 10 ? 46.444 2.654 11.423 1.00 31.25 ? 10 VAL C CG1 1 ATOM 3359 C CG2 . VAL C 3 10 ? 46.182 0.613 12.830 1.00 32.14 ? 10 VAL C CG2 1 ATOM 3360 N N . TRP C 3 11 ? 49.482 1.350 10.001 1.00 36.61 ? 11 TRP C N 1 ATOM 3361 C CA . TRP C 3 11 ? 50.397 2.203 9.237 1.00 38.28 ? 11 TRP C CA 1 ATOM 3362 C C . TRP C 3 11 ? 51.845 2.135 9.676 1.00 45.21 ? 11 TRP C C 1 ATOM 3363 O O . TRP C 3 11 ? 52.155 2.083 10.866 1.00 51.89 ? 11 TRP C O 1 ATOM 3364 C CB . TRP C 3 11 ? 49.894 3.647 9.303 1.00 36.62 ? 11 TRP C CB 1 ATOM 3365 C CG . TRP C 3 11 ? 50.299 4.523 8.139 1.00 33.78 ? 11 TRP C CG 1 ATOM 3366 C CD1 . TRP C 3 11 ? 51.360 5.415 8.079 1.00 35.38 ? 11 TRP C CD1 1 ATOM 3367 C CD2 . TRP C 3 11 ? 49.647 4.624 6.828 1.00 27.81 ? 11 TRP C CD2 1 ATOM 3368 N NE1 . TRP C 3 11 ? 51.414 6.031 6.855 1.00 34.70 ? 11 TRP C NE1 1 ATOM 3369 C CE2 . TRP C 3 11 ? 50.408 5.612 6.065 1.00 28.68 ? 11 TRP C CE2 1 ATOM 3370 C CE3 . TRP C 3 11 ? 48.554 4.021 6.237 1.00 30.69 ? 11 TRP C CE3 1 ATOM 3371 C CZ2 . TRP C 3 11 ? 50.060 5.972 4.771 1.00 27.28 ? 11 TRP C CZ2 1 ATOM 3372 C CZ3 . TRP C 3 11 ? 48.220 4.390 4.929 1.00 30.91 ? 11 TRP C CZ3 1 ATOM 3373 C CH2 . TRP C 3 11 ? 48.965 5.336 4.214 1.00 25.09 ? 11 TRP C CH2 1 ATOM 3374 N N . CYS C 3 12 ? 52.749 2.145 8.705 1.00 49.37 ? 12 CYS C N 1 ATOM 3375 C CA . CYS C 3 12 ? 54.180 2.153 8.987 1.00 45.83 ? 12 CYS C CA 1 ATOM 3376 C C . CYS C 3 12 ? 54.803 3.356 8.299 1.00 45.62 ? 12 CYS C C 1 ATOM 3377 O O . CYS C 3 12 ? 54.423 3.701 7.177 1.00 44.14 ? 12 CYS C O 1 ATOM 3378 C CB . CYS C 3 12 ? 54.849 0.869 8.490 1.00 38.21 ? 12 CYS C CB 1 ATOM 3379 S SG . CYS C 3 12 ? 54.142 -0.672 9.117 1.00 49.11 ? 12 CYS C SG 1 ATOM 3380 N N . THR C 3 13 ? 55.745 4.010 8.969 1.00 49.65 ? 13 THR C N 1 ATOM 3381 C CA . THR C 3 13 ? 56.452 5.122 8.339 1.00 62.52 ? 13 THR C CA 1 ATOM 3382 C C . THR C 3 13 ? 57.627 4.607 7.525 1.00 62.06 ? 13 THR C C 1 ATOM 3383 O O . THR C 3 13 ? 58.067 3.461 7.678 1.00 60.53 ? 13 THR C O 1 ATOM 3384 C CB . THR C 3 13 ? 56.919 6.185 9.344 1.00 65.97 ? 13 THR C CB 1 ATOM 3385 O OG1 . THR C 3 13 ? 57.657 5.557 10.397 1.00 76.64 ? 13 THR C OG1 1 ATOM 3386 C CG2 . THR C 3 13 ? 55.711 6.944 9.924 1.00 71.58 ? 13 THR C CG2 1 ATOM 3387 O OXT . THR C 3 13 ? 58.132 5.331 6.671 1.00 67.51 ? 13 THR C OXT 1 ATOM 3388 N N . LEU D 1 148 ? 81.020 34.824 67.817 1.00 66.27 ? 368 LEU D N 1 ATOM 3389 C CA . LEU D 1 148 ? 80.220 33.631 67.394 1.00 92.10 ? 368 LEU D CA 1 ATOM 3390 C C . LEU D 1 148 ? 79.120 33.288 68.410 1.00 114.57 ? 368 LEU D C 1 ATOM 3391 O O . LEU D 1 148 ? 79.099 32.188 68.974 1.00 119.54 ? 368 LEU D O 1 ATOM 3392 C CB . LEU D 1 148 ? 81.130 32.420 67.133 1.00 71.40 ? 368 LEU D CB 1 ATOM 3393 N N . VAL D 1 149 ? 78.206 34.238 68.622 1.00 128.74 ? 369 VAL D N 1 ATOM 3394 C CA . VAL D 1 149 ? 77.072 34.082 69.549 1.00 114.19 ? 369 VAL D CA 1 ATOM 3395 C C . VAL D 1 149 ? 76.107 32.989 69.073 1.00 108.60 ? 369 VAL D C 1 ATOM 3396 O O . VAL D 1 149 ? 75.316 33.211 68.151 1.00 111.94 ? 369 VAL D O 1 ATOM 3397 C CB . VAL D 1 149 ? 76.298 35.414 69.732 1.00 112.01 ? 369 VAL D CB 1 ATOM 3398 C CG1 . VAL D 1 149 ? 75.226 35.280 70.809 1.00 118.13 ? 369 VAL D CG1 1 ATOM 3399 C CG2 . VAL D 1 149 ? 77.249 36.558 70.066 1.00 93.72 ? 369 VAL D CG2 1 ATOM 3400 N N . LYS D 1 150 ? 76.180 31.817 69.706 1.00 97.13 ? 370 LYS D N 1 ATOM 3401 C CA . LYS D 1 150 ? 75.358 30.664 69.321 1.00 104.13 ? 370 LYS D CA 1 ATOM 3402 C C . LYS D 1 150 ? 74.246 30.367 70.336 1.00 102.36 ? 370 LYS D C 1 ATOM 3403 O O . LYS D 1 150 ? 74.491 29.763 71.384 1.00 89.43 ? 370 LYS D O 1 ATOM 3404 C CB . LYS D 1 150 ? 76.237 29.426 69.102 1.00 91.30 ? 370 LYS D CB 1 ATOM 3405 N N . GLY D 1 151 ? 73.025 30.791 70.010 1.00 99.03 ? 371 GLY D N 1 ATOM 3406 C CA . GLY D 1 151 ? 71.872 30.625 70.901 1.00 109.27 ? 371 GLY D CA 1 ATOM 3407 C C . GLY D 1 151 ? 71.516 31.914 71.623 1.00 118.50 ? 371 GLY D C 1 ATOM 3408 O O . GLY D 1 151 ? 72.319 32.440 72.398 1.00 137.47 ? 371 GLY D O 1 ATOM 3409 N N . PHE D 1 152 ? 70.310 32.422 71.369 1.00 101.89 ? 372 PHE D N 1 ATOM 3410 C CA . PHE D 1 152 ? 69.869 33.710 71.912 1.00 95.74 ? 372 PHE D CA 1 ATOM 3411 C C . PHE D 1 152 ? 68.344 33.832 71.947 1.00 91.84 ? 372 PHE D C 1 ATOM 3412 O O . PHE D 1 152 ? 67.654 33.031 72.580 1.00 77.43 ? 372 PHE D O 1 ATOM 3413 C CB . PHE D 1 152 ? 70.463 34.869 71.098 1.00 91.52 ? 372 PHE D CB 1 ATOM 3414 N N . LYS D 1 172 ? 81.125 45.484 62.306 1.00 78.26 ? 392 LYS D N 1 ATOM 3415 C CA . LYS D 1 172 ? 79.665 45.514 62.425 1.00 99.29 ? 392 LYS D CA 1 ATOM 3416 C C . LYS D 1 172 ? 79.093 44.133 62.787 1.00 104.24 ? 392 LYS D C 1 ATOM 3417 O O . LYS D 1 172 ? 79.852 43.184 63.030 1.00 88.71 ? 392 LYS D O 1 ATOM 3418 C CB . LYS D 1 172 ? 79.020 46.075 61.147 1.00 86.15 ? 392 LYS D CB 1 ATOM 3419 N N . THR D 1 173 ? 77.762 44.032 62.824 1.00 107.85 ? 393 THR D N 1 ATOM 3420 C CA . THR D 1 173 ? 77.073 42.833 63.319 1.00 110.97 ? 393 THR D CA 1 ATOM 3421 C C . THR D 1 173 ? 75.818 42.474 62.507 1.00 105.18 ? 393 THR D C 1 ATOM 3422 O O . THR D 1 173 ? 75.039 43.352 62.126 1.00 94.57 ? 393 THR D O 1 ATOM 3423 C CB . THR D 1 173 ? 76.784 42.952 64.843 1.00 113.39 ? 393 THR D CB 1 ATOM 3424 O OG1 . THR D 1 173 ? 77.831 42.300 65.575 1.00 107.50 ? 393 THR D OG1 1 ATOM 3425 C CG2 . THR D 1 173 ? 75.444 42.333 65.243 1.00 94.58 ? 393 THR D CG2 1 ATOM 3426 N N . THR D 1 174 ? 75.649 41.176 62.247 1.00 109.20 ? 394 THR D N 1 ATOM 3427 C CA . THR D 1 174 ? 74.507 40.651 61.488 1.00 109.16 ? 394 THR D CA 1 ATOM 3428 C C . THR D 1 174 ? 73.241 40.574 62.343 1.00 117.48 ? 394 THR D C 1 ATOM 3429 O O . THR D 1 174 ? 73.329 40.429 63.563 1.00 132.12 ? 394 THR D O 1 ATOM 3430 C CB . THR D 1 174 ? 74.788 39.237 60.931 1.00 99.03 ? 394 THR D CB 1 ATOM 3431 O OG1 . THR D 1 174 ? 74.902 38.302 62.013 1.00 86.16 ? 394 THR D OG1 1 ATOM 3432 C CG2 . THR D 1 174 ? 76.064 39.216 60.097 1.00 110.91 ? 394 THR D CG2 1 ATOM 3433 N N . PRO D 1 175 ? 72.055 40.667 61.707 1.00 120.58 ? 395 PRO D N 1 ATOM 3434 C CA . PRO D 1 175 ? 70.814 40.437 62.447 1.00 127.10 ? 395 PRO D CA 1 ATOM 3435 C C . PRO D 1 175 ? 70.679 38.968 62.865 1.00 122.60 ? 395 PRO D C 1 ATOM 3436 O O . PRO D 1 175 ? 71.365 38.110 62.300 1.00 119.22 ? 395 PRO D O 1 ATOM 3437 C CB . PRO D 1 175 ? 69.724 40.813 61.434 1.00 125.16 ? 395 PRO D CB 1 ATOM 3438 C CG . PRO D 1 175 ? 70.369 40.672 60.100 1.00 120.09 ? 395 PRO D CG 1 ATOM 3439 C CD . PRO D 1 175 ? 71.795 41.079 60.315 1.00 126.56 ? 395 PRO D CD 1 ATOM 3440 N N . PRO D 1 176 ? 69.818 38.681 63.863 1.00 115.30 ? 396 PRO D N 1 ATOM 3441 C CA . PRO D 1 176 ? 69.560 37.301 64.292 1.00 117.03 ? 396 PRO D CA 1 ATOM 3442 C C . PRO D 1 176 ? 69.104 36.380 63.154 1.00 114.67 ? 396 PRO D C 1 ATOM 3443 O O . PRO D 1 176 ? 68.364 36.807 62.263 1.00 115.88 ? 396 PRO D O 1 ATOM 3444 C CB . PRO D 1 176 ? 68.444 37.465 65.327 1.00 99.14 ? 396 PRO D CB 1 ATOM 3445 C CG . PRO D 1 176 ? 68.681 38.819 65.899 1.00 92.29 ? 396 PRO D CG 1 ATOM 3446 C CD . PRO D 1 176 ? 69.157 39.659 64.749 1.00 97.11 ? 396 PRO D CD 1 ATOM 3447 N N . VAL D 1 177 ? 69.566 35.131 63.194 1.00 112.16 ? 397 VAL D N 1 ATOM 3448 C CA . VAL D 1 177 ? 69.225 34.115 62.196 1.00 97.63 ? 397 VAL D CA 1 ATOM 3449 C C . VAL D 1 177 ? 68.736 32.861 62.914 1.00 91.99 ? 397 VAL D C 1 ATOM 3450 O O . VAL D 1 177 ? 69.475 32.267 63.700 1.00 83.02 ? 397 VAL D O 1 ATOM 3451 C CB . VAL D 1 177 ? 70.442 33.737 61.319 1.00 90.44 ? 397 VAL D CB 1 ATOM 3452 C CG1 . VAL D 1 177 ? 70.026 32.795 60.196 1.00 91.42 ? 397 VAL D CG1 1 ATOM 3453 C CG2 . VAL D 1 177 ? 71.115 34.979 60.752 1.00 83.89 ? 397 VAL D CG2 1 ATOM 3454 N N . LEU D 1 178 ? 67.496 32.465 62.638 1.00 100.95 ? 398 LEU D N 1 ATOM 3455 C CA . LEU D 1 178 ? 66.888 31.306 63.295 1.00 109.55 ? 398 LEU D CA 1 ATOM 3456 C C . LEU D 1 178 ? 67.584 29.996 62.900 1.00 110.97 ? 398 LEU D C 1 ATOM 3457 O O . LEU D 1 178 ? 67.826 29.747 61.718 1.00 118.35 ? 398 LEU D O 1 ATOM 3458 C CB . LEU D 1 178 ? 65.385 31.241 62.980 1.00 101.74 ? 398 LEU D CB 1 ATOM 3459 C CG . LEU D 1 178 ? 64.475 30.372 63.860 1.00 99.27 ? 398 LEU D CG 1 ATOM 3460 C CD1 . LEU D 1 178 ? 64.131 31.075 65.168 1.00 86.74 ? 398 LEU D CD1 1 ATOM 3461 C CD2 . LEU D 1 178 ? 63.206 29.995 63.108 1.00 87.61 ? 398 LEU D CD2 1 ATOM 3462 N N . LYS D 1 179 ? 67.922 29.182 63.899 1.00 111.90 ? 399 LYS D N 1 ATOM 3463 C CA . LYS D 1 179 ? 68.460 27.839 63.670 1.00 115.60 ? 399 LYS D CA 1 ATOM 3464 C C . LYS D 1 179 ? 67.341 26.794 63.774 1.00 126.22 ? 399 LYS D C 1 ATOM 3465 O O . LYS D 1 179 ? 66.207 27.127 64.134 1.00 128.74 ? 399 LYS D O 1 ATOM 3466 C CB . LYS D 1 179 ? 69.596 27.531 64.652 1.00 110.35 ? 399 LYS D CB 1 ATOM 3467 N N . SER D 1 180 ? 67.660 25.539 63.457 1.00 122.41 ? 400 SER D N 1 ATOM 3468 C CA . SER D 1 180 ? 66.663 24.462 63.430 1.00 109.17 ? 400 SER D CA 1 ATOM 3469 C C . SER D 1 180 ? 66.594 23.665 64.737 1.00 104.49 ? 400 SER D C 1 ATOM 3470 O O . SER D 1 180 ? 66.498 22.435 64.722 1.00 93.98 ? 400 SER D O 1 ATOM 3471 C CB . SER D 1 180 ? 66.902 23.532 62.233 1.00 97.81 ? 400 SER D CB 1 ATOM 3472 N N . ASP D 1 181 ? 66.647 24.383 65.860 1.00 121.17 ? 401 ASP D N 1 ATOM 3473 C CA . ASP D 1 181 ? 66.439 23.803 67.194 1.00 130.77 ? 401 ASP D CA 1 ATOM 3474 C C . ASP D 1 181 ? 65.525 24.677 68.057 1.00 133.86 ? 401 ASP D C 1 ATOM 3475 O O . ASP D 1 181 ? 64.933 24.203 69.031 1.00 144.88 ? 401 ASP D O 1 ATOM 3476 C CB . ASP D 1 181 ? 67.776 23.526 67.915 1.00 116.37 ? 401 ASP D CB 1 ATOM 3477 C CG . ASP D 1 181 ? 68.646 24.780 68.098 1.00 104.76 ? 401 ASP D CG 1 ATOM 3478 O OD1 . ASP D 1 181 ? 68.116 25.908 68.214 1.00 93.08 ? 401 ASP D OD1 1 ATOM 3479 O OD2 . ASP D 1 181 ? 69.885 24.626 68.146 1.00 92.68 ? 401 ASP D OD2 1 ATOM 3480 N N . GLY D 1 182 ? 65.419 25.952 67.684 1.00 118.95 ? 402 GLY D N 1 ATOM 3481 C CA . GLY D 1 182 ? 64.637 26.935 68.427 1.00 108.55 ? 402 GLY D CA 1 ATOM 3482 C C . GLY D 1 182 ? 65.366 28.259 68.563 1.00 102.24 ? 402 GLY D C 1 ATOM 3483 O O . GLY D 1 182 ? 64.759 29.324 68.434 1.00 76.04 ? 402 GLY D O 1 ATOM 3484 N N . SER D 1 183 ? 66.673 28.181 68.811 1.00 102.92 ? 403 SER D N 1 ATOM 3485 C CA . SER D 1 183 ? 67.518 29.352 69.056 1.00 102.52 ? 403 SER D CA 1 ATOM 3486 C C . SER D 1 183 ? 67.928 30.108 67.782 1.00 109.58 ? 403 SER D C 1 ATOM 3487 O O . SER D 1 183 ? 67.953 29.538 66.688 1.00 103.49 ? 403 SER D O 1 ATOM 3488 C CB . SER D 1 183 ? 68.768 28.932 69.834 1.00 100.65 ? 403 SER D CB 1 ATOM 3489 O OG . SER D 1 183 ? 69.518 27.971 69.109 1.00 94.98 ? 403 SER D OG 1 ATOM 3490 N N . PHE D 1 184 ? 68.253 31.391 67.948 1.00 107.17 ? 404 PHE D N 1 ATOM 3491 C CA . PHE D 1 184 ? 68.721 32.259 66.861 1.00 100.40 ? 404 PHE D CA 1 ATOM 3492 C C . PHE D 1 184 ? 70.155 32.740 67.113 1.00 94.57 ? 404 PHE D C 1 ATOM 3493 O O . PHE D 1 184 ? 70.566 32.880 68.265 1.00 91.89 ? 404 PHE D O 1 ATOM 3494 C CB . PHE D 1 184 ? 67.784 33.461 66.697 1.00 91.83 ? 404 PHE D CB 1 ATOM 3495 N N . PHE D 1 185 ? 70.910 32.997 66.043 1.00 103.64 ? 405 PHE D N 1 ATOM 3496 C CA . PHE D 1 185 ? 72.325 33.384 66.175 1.00 115.29 ? 405 PHE D CA 1 ATOM 3497 C C . PHE D 1 185 ? 72.739 34.587 65.311 1.00 103.09 ? 405 PHE D C 1 ATOM 3498 O O . PHE D 1 185 ? 72.071 34.914 64.329 1.00 107.24 ? 405 PHE D O 1 ATOM 3499 C CB . PHE D 1 185 ? 73.244 32.171 65.919 1.00 129.09 ? 405 PHE D CB 1 ATOM 3500 C CG . PHE D 1 185 ? 73.740 32.053 64.499 1.00 137.50 ? 405 PHE D CG 1 ATOM 3501 C CD1 . PHE D 1 185 ? 75.033 32.453 64.165 1.00 121.63 ? 405 PHE D CD1 1 ATOM 3502 C CD2 . PHE D 1 185 ? 72.922 31.534 63.497 1.00 137.08 ? 405 PHE D CD2 1 ATOM 3503 C CE1 . PHE D 1 185 ? 75.494 32.348 62.861 1.00 104.02 ? 405 PHE D CE1 1 ATOM 3504 C CE2 . PHE D 1 185 ? 73.380 31.427 62.191 1.00 118.34 ? 405 PHE D CE2 1 ATOM 3505 C CZ . PHE D 1 185 ? 74.668 31.834 61.874 1.00 104.90 ? 405 PHE D CZ 1 ATOM 3506 N N . LEU D 1 186 ? 73.839 35.238 65.696 1.00 96.83 ? 406 LEU D N 1 ATOM 3507 C CA . LEU D 1 186 ? 74.439 36.327 64.911 1.00 98.59 ? 406 LEU D CA 1 ATOM 3508 C C . LEU D 1 186 ? 75.971 36.391 65.074 1.00 118.94 ? 406 LEU D C 1 ATOM 3509 O O . LEU D 1 186 ? 76.560 35.558 65.772 1.00 120.24 ? 406 LEU D O 1 ATOM 3510 C CB . LEU D 1 186 ? 73.775 37.680 65.233 1.00 86.95 ? 406 LEU D CB 1 ATOM 3511 C CG . LEU D 1 186 ? 73.809 38.338 66.623 1.00 85.03 ? 406 LEU D CG 1 ATOM 3512 C CD1 . LEU D 1 186 ? 75.140 39.023 66.919 1.00 79.11 ? 406 LEU D CD1 1 ATOM 3513 C CD2 . LEU D 1 186 ? 72.672 39.345 66.748 1.00 71.73 ? 406 LEU D CD2 1 ATOM 3514 N N . TYR D 1 187 ? 76.599 37.369 64.412 1.00 125.50 ? 407 TYR D N 1 ATOM 3515 C CA . TYR D 1 187 ? 78.038 37.644 64.556 1.00 115.53 ? 407 TYR D CA 1 ATOM 3516 C C . TYR D 1 187 ? 78.298 39.116 64.911 1.00 106.53 ? 407 TYR D C 1 ATOM 3517 O O . TYR D 1 187 ? 78.503 39.966 64.038 1.00 79.56 ? 407 TYR D O 1 ATOM 3518 C CB . TYR D 1 187 ? 78.810 37.256 63.287 1.00 101.23 ? 407 TYR D CB 1 ATOM 3519 C CG . TYR D 1 187 ? 79.260 35.804 63.207 1.00 91.97 ? 407 TYR D CG 1 ATOM 3520 C CD1 . TYR D 1 187 ? 80.596 35.456 63.410 1.00 88.69 ? 407 TYR D CD1 1 ATOM 3521 C CD2 . TYR D 1 187 ? 78.356 34.783 62.904 1.00 92.85 ? 407 TYR D CD2 1 ATOM 3522 C CE1 . TYR D 1 187 ? 81.013 34.133 63.324 1.00 83.15 ? 407 TYR D CE1 1 ATOM 3523 C CE2 . TYR D 1 187 ? 78.765 33.459 62.817 1.00 70.95 ? 407 TYR D CE2 1 ATOM 3524 C CZ . TYR D 1 187 ? 80.091 33.141 63.026 1.00 72.26 ? 407 TYR D CZ 1 ATOM 3525 O OH . TYR D 1 187 ? 80.492 31.833 62.937 1.00 69.24 ? 407 TYR D OH 1 ATOM 3526 N N . PRO E 2 31 ? 43.979 44.461 47.277 1.00 93.19 ? 238 PRO E N 1 ATOM 3527 C CA . PRO E 2 31 ? 45.051 43.509 47.015 1.00 85.05 ? 238 PRO E CA 1 ATOM 3528 C C . PRO E 2 31 ? 46.407 44.183 46.804 1.00 79.24 ? 238 PRO E C 1 ATOM 3529 O O . PRO E 2 31 ? 46.517 45.145 46.039 1.00 79.92 ? 238 PRO E O 1 ATOM 3530 C CB . PRO E 2 31 ? 44.592 42.822 45.729 1.00 82.56 ? 238 PRO E CB 1 ATOM 3531 C CG . PRO E 2 31 ? 43.099 42.881 45.786 1.00 107.56 ? 238 PRO E CG 1 ATOM 3532 C CD . PRO E 2 31 ? 42.698 44.007 46.710 1.00 103.33 ? 238 PRO E CD 1 ATOM 3533 N N . SER E 2 32 ? 47.424 43.669 47.491 1.00 72.80 ? 239 SER E N 1 ATOM 3534 C CA . SER E 2 32 ? 48.795 44.169 47.379 1.00 74.36 ? 239 SER E CA 1 ATOM 3535 C C . SER E 2 32 ? 49.724 43.109 46.762 1.00 77.98 ? 239 SER E C 1 ATOM 3536 O O . SER E 2 32 ? 49.538 41.904 46.969 1.00 73.17 ? 239 SER E O 1 ATOM 3537 C CB . SER E 2 32 ? 49.315 44.621 48.752 1.00 57.48 ? 239 SER E CB 1 ATOM 3538 N N . VAL E 2 33 ? 50.723 43.568 46.010 1.00 73.60 ? 240 VAL E N 1 ATOM 3539 C CA . VAL E 2 33 ? 51.602 42.678 45.246 1.00 77.19 ? 240 VAL E CA 1 ATOM 3540 C C . VAL E 2 33 ? 53.087 42.860 45.589 1.00 78.86 ? 240 VAL E C 1 ATOM 3541 O O . VAL E 2 33 ? 53.591 43.983 45.625 1.00 78.81 ? 240 VAL E O 1 ATOM 3542 C CB . VAL E 2 33 ? 51.401 42.873 43.724 1.00 74.84 ? 240 VAL E CB 1 ATOM 3543 C CG1 . VAL E 2 33 ? 52.223 41.865 42.936 1.00 80.40 ? 240 VAL E CG1 1 ATOM 3544 C CG2 . VAL E 2 33 ? 49.930 42.753 43.354 1.00 81.45 ? 240 VAL E CG2 1 ATOM 3545 N N . PHE E 2 34 ? 53.781 41.748 45.828 1.00 82.32 ? 241 PHE E N 1 ATOM 3546 C CA . PHE E 2 34 ? 55.232 41.767 46.047 1.00 78.11 ? 241 PHE E CA 1 ATOM 3547 C C . PHE E 2 34 ? 55.964 40.820 45.095 1.00 81.83 ? 241 PHE E C 1 ATOM 3548 O O . PHE E 2 34 ? 55.478 39.725 44.783 1.00 75.41 ? 241 PHE E O 1 ATOM 3549 C CB . PHE E 2 34 ? 55.578 41.438 47.506 1.00 71.70 ? 241 PHE E CB 1 ATOM 3550 C CG . PHE E 2 34 ? 54.817 42.261 48.504 1.00 87.07 ? 241 PHE E CG 1 ATOM 3551 C CD1 . PHE E 2 34 ? 55.118 43.609 48.692 1.00 87.82 ? 241 PHE E CD1 1 ATOM 3552 C CD2 . PHE E 2 34 ? 53.785 41.695 49.246 1.00 93.06 ? 241 PHE E CD2 1 ATOM 3553 C CE1 . PHE E 2 34 ? 54.408 44.374 49.604 1.00 86.60 ? 241 PHE E CE1 1 ATOM 3554 C CE2 . PHE E 2 34 ? 53.072 42.456 50.160 1.00 87.53 ? 241 PHE E CE2 1 ATOM 3555 C CZ . PHE E 2 34 ? 53.385 43.797 50.339 1.00 86.80 ? 241 PHE E CZ 1 ATOM 3556 N N . LEU E 2 35 ? 57.139 41.252 44.647 1.00 76.22 ? 242 LEU E N 1 ATOM 3557 C CA . LEU E 2 35 ? 57.933 40.495 43.687 1.00 60.27 ? 242 LEU E CA 1 ATOM 3558 C C . LEU E 2 35 ? 59.304 40.128 44.248 1.00 58.75 ? 242 LEU E C 1 ATOM 3559 O O . LEU E 2 35 ? 60.046 40.992 44.712 1.00 61.89 ? 242 LEU E O 1 ATOM 3560 C CB . LEU E 2 35 ? 58.075 41.292 42.386 1.00 47.65 ? 242 LEU E CB 1 ATOM 3561 C CG . LEU E 2 35 ? 58.543 40.580 41.117 1.00 43.44 ? 242 LEU E CG 1 ATOM 3562 C CD1 . LEU E 2 35 ? 57.864 39.231 40.896 1.00 36.00 ? 242 LEU E CD1 1 ATOM 3563 C CD2 . LEU E 2 35 ? 58.339 41.505 39.926 1.00 40.69 ? 242 LEU E CD2 1 ATOM 3564 N N . PHE E 2 36 ? 59.633 38.842 44.187 1.00 58.52 ? 243 PHE E N 1 ATOM 3565 C CA . PHE E 2 36 ? 60.868 38.319 44.758 1.00 61.60 ? 243 PHE E CA 1 ATOM 3566 C C . PHE E 2 36 ? 61.809 37.744 43.700 1.00 60.02 ? 243 PHE E C 1 ATOM 3567 O O . PHE E 2 36 ? 61.349 37.072 42.774 1.00 63.73 ? 243 PHE E O 1 ATOM 3568 C CB . PHE E 2 36 ? 60.552 37.250 45.809 1.00 68.49 ? 243 PHE E CB 1 ATOM 3569 C CG . PHE E 2 36 ? 59.658 37.732 46.914 1.00 75.46 ? 243 PHE E CG 1 ATOM 3570 C CD1 . PHE E 2 36 ? 60.138 38.608 47.887 1.00 82.69 ? 243 PHE E CD1 1 ATOM 3571 C CD2 . PHE E 2 36 ? 58.337 37.311 46.986 1.00 78.13 ? 243 PHE E CD2 1 ATOM 3572 C CE1 . PHE E 2 36 ? 59.316 39.057 48.910 1.00 79.27 ? 243 PHE E CE1 1 ATOM 3573 C CE2 . PHE E 2 36 ? 57.511 37.751 48.011 1.00 81.92 ? 243 PHE E CE2 1 ATOM 3574 C CZ . PHE E 2 36 ? 58.000 38.626 48.971 1.00 81.49 ? 243 PHE E CZ 1 ATOM 3575 N N . PRO E 2 37 ? 63.131 38.003 43.840 1.00 61.82 ? 244 PRO E N 1 ATOM 3576 C CA . PRO E 2 37 ? 64.144 37.447 42.937 1.00 55.55 ? 244 PRO E CA 1 ATOM 3577 C C . PRO E 2 37 ? 64.407 35.975 43.241 1.00 50.97 ? 244 PRO E C 1 ATOM 3578 O O . PRO E 2 37 ? 64.085 35.516 44.332 1.00 58.65 ? 244 PRO E O 1 ATOM 3579 C CB . PRO E 2 37 ? 65.392 38.268 43.269 1.00 55.54 ? 244 PRO E CB 1 ATOM 3580 C CG . PRO E 2 37 ? 65.216 38.665 44.692 1.00 45.27 ? 244 PRO E CG 1 ATOM 3581 C CD . PRO E 2 37 ? 63.739 38.870 44.873 1.00 55.47 ? 244 PRO E CD 1 ATOM 3582 N N . PRO E 2 38 ? 64.991 35.235 42.284 1.00 51.91 ? 245 PRO E N 1 ATOM 3583 C CA . PRO E 2 38 ? 65.394 33.859 42.591 1.00 58.10 ? 245 PRO E CA 1 ATOM 3584 C C . PRO E 2 38 ? 66.478 33.776 43.676 1.00 48.03 ? 245 PRO E C 1 ATOM 3585 O O . PRO E 2 38 ? 67.210 34.741 43.900 1.00 46.04 ? 245 PRO E O 1 ATOM 3586 C CB . PRO E 2 38 ? 65.946 33.342 41.250 1.00 45.67 ? 245 PRO E CB 1 ATOM 3587 C CG . PRO E 2 38 ? 66.266 34.565 40.462 1.00 40.65 ? 245 PRO E CG 1 ATOM 3588 C CD . PRO E 2 38 ? 65.251 35.582 40.876 1.00 43.56 ? 245 PRO E CD 1 ATOM 3589 N N . LYS E 2 39 ? 66.556 32.632 44.349 1.00 47.16 ? 246 LYS E N 1 ATOM 3590 C CA . LYS E 2 39 ? 67.669 32.332 45.244 1.00 50.59 ? 246 LYS E CA 1 ATOM 3591 C C . LYS E 2 39 ? 68.950 32.247 44.409 1.00 57.61 ? 246 LYS E C 1 ATOM 3592 O O . LYS E 2 39 ? 68.960 31.576 43.377 1.00 69.83 ? 246 LYS E O 1 ATOM 3593 C CB . LYS E 2 39 ? 67.417 31.014 45.983 1.00 47.23 ? 246 LYS E CB 1 ATOM 3594 C CG . LYS E 2 39 ? 66.281 31.079 46.992 1.00 57.28 ? 246 LYS E CG 1 ATOM 3595 N N . PRO E 2 40 ? 70.026 32.944 44.836 1.00 58.87 ? 247 PRO E N 1 ATOM 3596 C CA . PRO E 2 40 ? 71.273 32.991 44.051 1.00 51.58 ? 247 PRO E CA 1 ATOM 3597 C C . PRO E 2 40 ? 71.854 31.618 43.695 1.00 55.01 ? 247 PRO E C 1 ATOM 3598 O O . PRO E 2 40 ? 72.315 31.430 42.566 1.00 50.32 ? 247 PRO E O 1 ATOM 3599 C CB . PRO E 2 40 ? 72.225 33.775 44.951 1.00 50.20 ? 247 PRO E CB 1 ATOM 3600 C CG . PRO E 2 40 ? 71.328 34.637 45.776 1.00 52.02 ? 247 PRO E CG 1 ATOM 3601 C CD . PRO E 2 40 ? 70.094 33.819 46.025 1.00 51.73 ? 247 PRO E CD 1 ATOM 3602 N N . LYS E 2 41 ? 71.815 30.664 44.629 1.00 62.85 ? 248 LYS E N 1 ATOM 3603 C CA . LYS E 2 41 ? 72.269 29.288 44.343 1.00 70.93 ? 248 LYS E CA 1 ATOM 3604 C C . LYS E 2 41 ? 71.611 28.742 43.068 1.00 63.32 ? 248 LYS E C 1 ATOM 3605 O O . LYS E 2 41 ? 72.260 28.072 42.257 1.00 72.57 ? 248 LYS E O 1 ATOM 3606 C CB . LYS E 2 41 ? 72.015 28.344 45.536 1.00 67.87 ? 248 LYS E CB 1 ATOM 3607 C CG . LYS E 2 41 ? 72.730 26.993 45.447 1.00 53.05 ? 248 LYS E CG 1 ATOM 3608 N N . ASP E 2 42 ? 70.328 29.048 42.900 1.00 51.72 ? 249 ASP E N 1 ATOM 3609 C CA . ASP E 2 42 ? 69.580 28.647 41.712 1.00 47.94 ? 249 ASP E CA 1 ATOM 3610 C C . ASP E 2 42 ? 70.033 29.365 40.443 1.00 44.83 ? 249 ASP E C 1 ATOM 3611 O O . ASP E 2 42 ? 70.065 28.750 39.369 1.00 38.59 ? 249 ASP E O 1 ATOM 3612 C CB . ASP E 2 42 ? 68.076 28.821 41.937 1.00 53.35 ? 249 ASP E CB 1 ATOM 3613 C CG . ASP E 2 42 ? 67.532 27.898 43.030 1.00 54.28 ? 249 ASP E CG 1 ATOM 3614 O OD1 . ASP E 2 42 ? 68.248 26.968 43.461 1.00 63.59 ? 249 ASP E OD1 1 ATOM 3615 O OD2 . ASP E 2 42 ? 66.380 28.103 43.458 1.00 48.17 ? 249 ASP E OD2 1 ATOM 3616 N N . THR E 2 43 ? 70.404 30.647 40.564 1.00 41.93 ? 250 THR E N 1 ATOM 3617 C CA . THR E 2 43 ? 70.865 31.422 39.401 1.00 43.81 ? 250 THR E CA 1 ATOM 3618 C C . THR E 2 43 ? 72.254 30.995 38.932 1.00 51.70 ? 250 THR E C 1 ATOM 3619 O O . THR E 2 43 ? 72.555 31.047 37.738 1.00 55.21 ? 250 THR E O 1 ATOM 3620 C CB . THR E 2 43 ? 70.878 32.951 39.642 1.00 47.45 ? 250 THR E CB 1 ATOM 3621 O OG1 . THR E 2 43 ? 71.895 33.296 40.591 1.00 63.53 ? 250 THR E OG1 1 ATOM 3622 C CG2 . THR E 2 43 ? 69.544 33.437 40.146 1.00 51.64 ? 250 THR E CG2 1 ATOM 3623 N N . LEU E 2 44 ? 73.094 30.576 39.874 1.00 63.95 ? 251 LEU E N 1 ATOM 3624 C CA . LEU E 2 44 ? 74.516 30.340 39.595 1.00 55.76 ? 251 LEU E CA 1 ATOM 3625 C C . LEU E 2 44 ? 74.823 28.910 39.178 1.00 49.38 ? 251 LEU E C 1 ATOM 3626 O O . LEU E 2 44 ? 75.814 28.677 38.490 1.00 44.91 ? 251 LEU E O 1 ATOM 3627 C CB . LEU E 2 44 ? 75.382 30.754 40.790 1.00 50.26 ? 251 LEU E CB 1 ATOM 3628 C CG . LEU E 2 44 ? 75.351 32.250 41.106 1.00 46.80 ? 251 LEU E CG 1 ATOM 3629 C CD1 . LEU E 2 44 ? 75.571 32.504 42.590 1.00 53.12 ? 251 LEU E CD1 1 ATOM 3630 C CD2 . LEU E 2 44 ? 76.374 32.997 40.269 1.00 44.64 ? 251 LEU E CD2 1 ATOM 3631 N N . GLU E 2 45 ? 73.987 27.956 39.591 1.00 49.91 ? 252 GLU E N 1 ATOM 3632 C CA . GLU E 2 45 ? 74.148 26.581 39.122 1.00 52.52 ? 252 GLU E CA 1 ATOM 3633 C C . GLU E 2 45 ? 73.205 26.271 37.963 1.00 51.27 ? 252 GLU E C 1 ATOM 3634 O O . GLU E 2 45 ? 71.988 26.413 38.077 1.00 59.73 ? 252 GLU E O 1 ATOM 3635 C CB . GLU E 2 45 ? 73.995 25.554 40.250 1.00 59.62 ? 252 GLU E CB 1 ATOM 3636 C CG . GLU E 2 45 ? 74.629 24.205 39.907 1.00 66.39 ? 252 GLU E CG 1 ATOM 3637 C CD . GLU E 2 45 ? 74.796 23.271 41.101 1.00 81.96 ? 252 GLU E CD 1 ATOM 3638 O OE1 . GLU E 2 45 ? 75.218 22.107 40.880 1.00 75.53 ? 252 GLU E OE1 1 ATOM 3639 O OE2 . GLU E 2 45 ? 74.508 23.687 42.253 1.00 70.39 ? 252 GLU E OE2 1 ATOM 3640 N N . ALA E 2 46 ? 73.800 25.832 36.859 1.00 49.12 ? 253 ALA E N 1 ATOM 3641 C CA . ALA E 2 46 ? 73.106 25.556 35.609 1.00 47.64 ? 253 ALA E CA 1 ATOM 3642 C C . ALA E 2 46 ? 71.989 24.512 35.715 1.00 54.89 ? 253 ALA E C 1 ATOM 3643 O O . ALA E 2 46 ? 70.953 24.634 35.049 1.00 57.19 ? 253 ALA E O 1 ATOM 3644 C CB . ALA E 2 46 ? 74.111 25.136 34.555 1.00 40.95 ? 253 ALA E CB 1 ATOM 3645 N N . SER E 2 47 ? 72.199 23.491 36.545 1.00 50.21 ? 254 SER E N 1 ATOM 3646 C CA . SER E 2 47 ? 71.258 22.375 36.642 1.00 48.69 ? 254 SER E CA 1 ATOM 3647 C C . SER E 2 47 ? 70.090 22.678 37.579 1.00 51.29 ? 254 SER E C 1 ATOM 3648 O O . SER E 2 47 ? 69.191 21.850 37.743 1.00 51.98 ? 254 SER E O 1 ATOM 3649 C CB . SER E 2 47 ? 71.975 21.093 37.075 1.00 44.30 ? 254 SER E CB 1 ATOM 3650 O OG . SER E 2 47 ? 72.387 21.193 38.424 1.00 54.35 ? 254 SER E OG 1 ATOM 3651 N N . ARG E 2 48 ? 70.111 23.863 38.181 1.00 47.49 ? 255 ARG E N 1 ATOM 3652 C CA . ARG E 2 48 ? 69.072 24.291 39.105 1.00 47.52 ? 255 ARG E CA 1 ATOM 3653 C C . ARG E 2 48 ? 68.056 25.245 38.448 1.00 61.92 ? 255 ARG E C 1 ATOM 3654 O O . ARG E 2 48 ? 68.338 25.850 37.399 1.00 61.05 ? 255 ARG E O 1 ATOM 3655 C CB . ARG E 2 48 ? 69.711 24.949 40.326 1.00 50.81 ? 255 ARG E CB 1 ATOM 3656 C CG . ARG E 2 48 ? 70.341 23.959 41.287 1.00 51.85 ? 255 ARG E CG 1 ATOM 3657 C CD . ARG E 2 48 ? 70.290 24.494 42.703 1.00 57.77 ? 255 ARG E CD 1 ATOM 3658 N NE . ARG E 2 48 ? 70.400 23.417 43.682 1.00 76.06 ? 255 ARG E NE 1 ATOM 3659 C CZ . ARG E 2 48 ? 70.145 23.545 44.980 1.00 91.39 ? 255 ARG E CZ 1 ATOM 3660 N NH1 . ARG E 2 48 ? 69.754 24.712 45.479 1.00 102.13 ? 255 ARG E NH1 1 ATOM 3661 N NH2 . ARG E 2 48 ? 70.278 22.498 45.783 1.00 106.86 ? 255 ARG E NH2 1 ATOM 3662 N N . THR E 2 49 ? 66.885 25.381 39.079 1.00 50.38 ? 256 THR E N 1 ATOM 3663 C CA . THR E 2 49 ? 65.786 26.178 38.536 1.00 41.22 ? 256 THR E CA 1 ATOM 3664 C C . THR E 2 49 ? 65.585 27.519 39.265 1.00 42.63 ? 256 THR E C 1 ATOM 3665 O O . THR E 2 49 ? 64.974 27.566 40.333 1.00 46.44 ? 256 THR E O 1 ATOM 3666 C CB . THR E 2 49 ? 64.473 25.368 38.530 1.00 38.87 ? 256 THR E CB 1 ATOM 3667 O OG1 . THR E 2 49 ? 64.655 24.178 37.760 1.00 46.52 ? 256 THR E OG1 1 ATOM 3668 C CG2 . THR E 2 49 ? 63.333 26.167 37.921 1.00 41.81 ? 256 THR E CG2 1 ATOM 3669 N N . PRO E 2 50 ? 66.079 28.621 38.670 1.00 44.28 ? 257 PRO E N 1 ATOM 3670 C CA . PRO E 2 50 ? 65.851 29.929 39.270 1.00 42.05 ? 257 PRO E CA 1 ATOM 3671 C C . PRO E 2 50 ? 64.464 30.478 38.888 1.00 53.52 ? 257 PRO E C 1 ATOM 3672 O O . PRO E 2 50 ? 64.121 30.558 37.699 1.00 52.13 ? 257 PRO E O 1 ATOM 3673 C CB . PRO E 2 50 ? 66.968 30.786 38.659 1.00 36.10 ? 257 PRO E CB 1 ATOM 3674 C CG . PRO E 2 50 ? 67.258 30.150 37.326 1.00 36.47 ? 257 PRO E CG 1 ATOM 3675 C CD . PRO E 2 50 ? 66.743 28.730 37.350 1.00 40.68 ? 257 PRO E CD 1 ATOM 3676 N N . GLU E 2 51 ? 63.670 30.845 39.888 1.00 50.76 ? 258 GLU E N 1 ATOM 3677 C CA . GLU E 2 51 ? 62.357 31.411 39.620 1.00 46.66 ? 258 GLU E CA 1 ATOM 3678 C C . GLU E 2 51 ? 62.094 32.694 40.395 1.00 52.16 ? 258 GLU E C 1 ATOM 3679 O O . GLU E 2 51 ? 62.301 32.752 41.606 1.00 64.28 ? 258 GLU E O 1 ATOM 3680 C CB . GLU E 2 51 ? 61.249 30.375 39.858 1.00 44.87 ? 258 GLU E CB 1 ATOM 3681 C CG . GLU E 2 51 ? 61.297 29.641 41.192 1.00 51.59 ? 258 GLU E CG 1 ATOM 3682 C CD . GLU E 2 51 ? 60.699 28.234 41.148 1.00 63.34 ? 258 GLU E CD 1 ATOM 3683 O OE1 . GLU E 2 51 ? 60.559 27.618 42.227 1.00 69.23 ? 258 GLU E OE1 1 ATOM 3684 O OE2 . GLU E 2 51 ? 60.366 27.729 40.048 1.00 62.97 ? 258 GLU E OE2 1 ATOM 3685 N N . VAL E 2 52 ? 61.674 33.729 39.670 1.00 56.84 ? 259 VAL E N 1 ATOM 3686 C CA . VAL E 2 52 ? 61.097 34.933 40.273 1.00 52.13 ? 259 VAL E CA 1 ATOM 3687 C C . VAL E 2 52 ? 59.679 34.602 40.746 1.00 58.14 ? 259 VAL E C 1 ATOM 3688 O O . VAL E 2 52 ? 58.965 33.804 40.111 1.00 47.71 ? 259 VAL E O 1 ATOM 3689 C CB . VAL E 2 52 ? 61.052 36.125 39.293 1.00 52.48 ? 259 VAL E CB 1 ATOM 3690 C CG1 . VAL E 2 52 ? 62.451 36.510 38.853 1.00 57.68 ? 259 VAL E CG1 1 ATOM 3691 C CG2 . VAL E 2 52 ? 60.210 35.798 38.067 1.00 68.48 ? 259 VAL E CG2 1 ATOM 3692 N N . THR E 2 53 ? 59.276 35.207 41.860 1.00 53.74 ? 260 THR E N 1 ATOM 3693 C CA . THR E 2 53 ? 57.974 34.906 42.449 1.00 47.48 ? 260 THR E CA 1 ATOM 3694 C C . THR E 2 53 ? 57.126 36.160 42.616 1.00 49.13 ? 260 THR E C 1 ATOM 3695 O O . THR E 2 53 ? 57.596 37.164 43.142 1.00 54.04 ? 260 THR E O 1 ATOM 3696 C CB . THR E 2 53 ? 58.137 34.165 43.789 1.00 46.41 ? 260 THR E CB 1 ATOM 3697 O OG1 . THR E 2 53 ? 59.027 33.060 43.604 1.00 38.40 ? 260 THR E OG1 1 ATOM 3698 C CG2 . THR E 2 53 ? 56.804 33.635 44.291 1.00 42.99 ? 260 THR E CG2 1 ATOM 3699 N N . CYS E 2 54 ? 55.883 36.095 42.141 1.00 52.72 ? 261 CYS E N 1 ATOM 3700 C CA . CYS E 2 54 ? 54.919 37.182 42.300 1.00 52.14 ? 261 CYS E CA 1 ATOM 3701 C C . CYS E 2 54 ? 53.863 36.777 43.319 1.00 58.16 ? 261 CYS E C 1 ATOM 3702 O O . CYS E 2 54 ? 53.154 35.782 43.122 1.00 60.83 ? 261 CYS E O 1 ATOM 3703 C CB . CYS E 2 54 ? 54.258 37.511 40.966 1.00 47.28 ? 261 CYS E CB 1 ATOM 3704 S SG . CYS E 2 54 ? 53.506 39.149 40.891 1.00 61.18 ? 261 CYS E SG 1 ATOM 3705 N N . VAL E 2 55 ? 53.776 37.525 44.420 1.00 63.99 ? 262 VAL E N 1 ATOM 3706 C CA . VAL E 2 55 ? 52.796 37.215 45.469 1.00 71.04 ? 262 VAL E CA 1 ATOM 3707 C C . VAL E 2 55 ? 51.736 38.297 45.554 1.00 68.38 ? 262 VAL E C 1 ATOM 3708 O O . VAL E 2 55 ? 52.050 39.473 45.743 1.00 63.21 ? 262 VAL E O 1 ATOM 3709 C CB . VAL E 2 55 ? 53.433 37.009 46.863 1.00 66.70 ? 262 VAL E CB 1 ATOM 3710 C CG1 . VAL E 2 55 ? 52.373 36.555 47.871 1.00 51.07 ? 262 VAL E CG1 1 ATOM 3711 C CG2 . VAL E 2 55 ? 54.586 36.009 46.790 1.00 52.99 ? 262 VAL E CG2 1 ATOM 3712 N N . VAL E 2 56 ? 50.484 37.882 45.386 1.00 75.27 ? 263 VAL E N 1 ATOM 3713 C CA . VAL E 2 56 ? 49.344 38.778 45.517 1.00 71.50 ? 263 VAL E CA 1 ATOM 3714 C C . VAL E 2 56 ? 48.628 38.423 46.814 1.00 65.54 ? 263 VAL E C 1 ATOM 3715 O O . VAL E 2 56 ? 48.172 37.287 47.007 1.00 64.82 ? 263 VAL E O 1 ATOM 3716 C CB . VAL E 2 56 ? 48.382 38.707 44.302 1.00 71.16 ? 263 VAL E CB 1 ATOM 3717 C CG1 . VAL E 2 56 ? 47.394 39.866 44.335 1.00 65.21 ? 263 VAL E CG1 1 ATOM 3718 C CG2 . VAL E 2 56 ? 49.160 38.751 42.998 1.00 56.70 ? 263 VAL E CG2 1 ATOM 3719 N N . VAL E 2 57 ? 48.561 39.406 47.705 1.00 62.30 ? 264 VAL E N 1 ATOM 3720 C CA . VAL E 2 57 ? 47.957 39.234 49.019 1.00 70.01 ? 264 VAL E CA 1 ATOM 3721 C C . VAL E 2 57 ? 46.719 40.133 49.157 1.00 69.50 ? 264 VAL E C 1 ATOM 3722 O O . VAL E 2 57 ? 46.519 41.042 48.342 1.00 75.62 ? 264 VAL E O 1 ATOM 3723 C CB . VAL E 2 57 ? 48.999 39.505 50.127 1.00 66.00 ? 264 VAL E CB 1 ATOM 3724 C CG1 . VAL E 2 57 ? 49.170 41.004 50.372 1.00 57.14 ? 264 VAL E CG1 1 ATOM 3725 C CG2 . VAL E 2 57 ? 48.640 38.742 51.394 1.00 72.82 ? 264 VAL E CG2 1 ATOM 3726 N N . ASP E 2 58 ? 45.892 39.873 50.173 1.00 67.30 ? 265 ASP E N 1 ATOM 3727 C CA . ASP E 2 58 ? 44.650 40.638 50.413 1.00 81.08 ? 265 ASP E CA 1 ATOM 3728 C C . ASP E 2 58 ? 43.649 40.473 49.266 1.00 88.48 ? 265 ASP E C 1 ATOM 3729 O O . ASP E 2 58 ? 43.086 41.446 48.751 1.00 81.91 ? 265 ASP E O 1 ATOM 3730 C CB . ASP E 2 58 ? 44.929 42.131 50.691 1.00 77.37 ? 265 ASP E CB 1 ATOM 3731 C CG . ASP E 2 58 ? 45.535 42.378 52.069 1.00 75.34 ? 265 ASP E CG 1 ATOM 3732 O OD1 . ASP E 2 58 ? 45.359 41.529 52.980 1.00 75.11 ? 265 ASP E OD1 1 ATOM 3733 O OD2 . ASP E 2 58 ? 46.189 43.432 52.237 1.00 61.53 ? 265 ASP E OD2 1 ATOM 3734 N N . VAL E 2 59 ? 43.445 39.219 48.877 1.00 89.82 ? 266 VAL E N 1 ATOM 3735 C CA . VAL E 2 59 ? 42.521 38.869 47.812 1.00 84.75 ? 266 VAL E CA 1 ATOM 3736 C C . VAL E 2 59 ? 41.239 38.349 48.463 1.00 87.25 ? 266 VAL E C 1 ATOM 3737 O O . VAL E 2 59 ? 41.269 37.392 49.248 1.00 82.39 ? 266 VAL E O 1 ATOM 3738 C CB . VAL E 2 59 ? 43.157 37.838 46.844 1.00 83.43 ? 266 VAL E CB 1 ATOM 3739 C CG1 . VAL E 2 59 ? 42.149 37.334 45.824 1.00 78.64 ? 266 VAL E CG1 1 ATOM 3740 C CG2 . VAL E 2 59 ? 44.357 38.449 46.131 1.00 69.31 ? 266 VAL E CG2 1 ATOM 3741 N N . SER E 2 60 ? 40.123 39.001 48.136 1.00 84.90 ? 267 SER E N 1 ATOM 3742 C CA . SER E 2 60 ? 38.822 38.747 48.767 1.00 94.62 ? 267 SER E CA 1 ATOM 3743 C C . SER E 2 60 ? 38.197 37.404 48.384 1.00 96.08 ? 267 SER E C 1 ATOM 3744 O O . SER E 2 60 ? 38.646 36.751 47.443 1.00 120.23 ? 267 SER E O 1 ATOM 3745 C CB . SER E 2 60 ? 37.856 39.874 48.406 1.00 86.03 ? 267 SER E CB 1 ATOM 3746 O OG . SER E 2 60 ? 37.720 39.970 46.999 1.00 73.88 ? 267 SER E OG 1 ATOM 3747 N N . HIS E 2 61 ? 37.164 37.002 49.124 1.00 86.46 ? 268 HIS E N 1 ATOM 3748 C CA . HIS E 2 61 ? 36.350 35.832 48.775 1.00 90.61 ? 268 HIS E CA 1 ATOM 3749 C C . HIS E 2 61 ? 35.380 36.108 47.644 1.00 94.06 ? 268 HIS E C 1 ATOM 3750 O O . HIS E 2 61 ? 34.979 35.186 46.927 1.00 86.84 ? 268 HIS E O 1 ATOM 3751 C CB . HIS E 2 61 ? 35.590 35.325 49.996 1.00 82.52 ? 268 HIS E CB 1 ATOM 3752 C CG . HIS E 2 61 ? 36.465 34.657 51.027 1.00 92.55 ? 268 HIS E CG 1 ATOM 3753 N ND1 . HIS E 2 61 ? 36.387 33.341 51.298 1.00 92.22 ? 268 HIS E ND1 1 ATOM 3754 C CD2 . HIS E 2 61 ? 37.460 35.172 51.857 1.00 95.05 ? 268 HIS E CD2 1 ATOM 3755 C CE1 . HIS E 2 61 ? 37.284 33.026 52.254 1.00 82.67 ? 268 HIS E CE1 1 ATOM 3756 N NE2 . HIS E 2 61 ? 37.941 34.147 52.594 1.00 88.85 ? 268 HIS E NE2 1 ATOM 3757 N N . GLU E 2 62 ? 34.997 37.375 47.477 1.00 88.61 ? 269 GLU E N 1 ATOM 3758 C CA . GLU E 2 62 ? 34.026 37.780 46.456 1.00 92.38 ? 269 GLU E CA 1 ATOM 3759 C C . GLU E 2 62 ? 34.636 37.769 45.052 1.00 95.07 ? 269 GLU E C 1 ATOM 3760 O O . GLU E 2 62 ? 34.087 37.142 44.138 1.00 84.95 ? 269 GLU E O 1 ATOM 3761 C CB . GLU E 2 62 ? 33.425 39.156 46.783 1.00 83.09 ? 269 GLU E CB 1 ATOM 3762 N N . ASP E 2 63 ? 35.763 38.467 44.890 1.00 95.37 ? 270 ASP E N 1 ATOM 3763 C CA . ASP E 2 63 ? 36.522 38.488 43.628 1.00 92.46 ? 270 ASP E CA 1 ATOM 3764 C C . ASP E 2 63 ? 37.912 37.850 43.823 1.00 78.65 ? 270 ASP E C 1 ATOM 3765 O O . ASP E 2 63 ? 38.917 38.562 43.917 1.00 78.40 ? 270 ASP E O 1 ATOM 3766 C CB . ASP E 2 63 ? 36.667 39.926 43.101 1.00 89.91 ? 270 ASP E CB 1 ATOM 3767 C CG . ASP E 2 63 ? 35.333 40.668 42.991 1.00 102.10 ? 270 ASP E CG 1 ATOM 3768 O OD1 . ASP E 2 63 ? 34.260 40.050 43.176 1.00 96.24 ? 270 ASP E OD1 1 ATOM 3769 O OD2 . ASP E 2 63 ? 35.364 41.889 42.715 1.00 101.52 ? 270 ASP E OD2 1 ATOM 3770 N N . PRO E 2 64 ? 37.975 36.502 43.884 1.00 68.12 ? 271 PRO E N 1 ATOM 3771 C CA . PRO E 2 64 ? 39.211 35.821 44.261 1.00 67.81 ? 271 PRO E CA 1 ATOM 3772 C C . PRO E 2 64 ? 40.131 35.454 43.085 1.00 73.36 ? 271 PRO E C 1 ATOM 3773 O O . PRO E 2 64 ? 41.244 34.954 43.301 1.00 79.64 ? 271 PRO E O 1 ATOM 3774 C CB . PRO E 2 64 ? 38.697 34.552 44.952 1.00 65.07 ? 271 PRO E CB 1 ATOM 3775 C CG . PRO E 2 64 ? 37.345 34.299 44.355 1.00 56.72 ? 271 PRO E CG 1 ATOM 3776 C CD . PRO E 2 64 ? 36.905 35.528 43.599 1.00 64.63 ? 271 PRO E CD 1 ATOM 3777 N N . GLU E 2 65 ? 39.667 35.697 41.861 1.00 67.68 ? 272 GLU E N 1 ATOM 3778 C CA . GLU E 2 65 ? 40.438 35.382 40.669 1.00 64.50 ? 272 GLU E CA 1 ATOM 3779 C C . GLU E 2 65 ? 41.533 36.424 40.470 1.00 71.18 ? 272 GLU E C 1 ATOM 3780 O O . GLU E 2 65 ? 41.293 37.627 40.623 1.00 64.43 ? 272 GLU E O 1 ATOM 3781 C CB . GLU E 2 65 ? 39.531 35.290 39.434 1.00 49.79 ? 272 GLU E CB 1 ATOM 3782 N N . VAL E 2 66 ? 42.737 35.942 40.157 1.00 69.46 ? 273 VAL E N 1 ATOM 3783 C CA . VAL E 2 66 ? 43.878 36.794 39.799 1.00 61.09 ? 273 VAL E CA 1 ATOM 3784 C C . VAL E 2 66 ? 44.369 36.413 38.398 1.00 52.82 ? 273 VAL E C 1 ATOM 3785 O O . VAL E 2 66 ? 44.408 35.235 38.054 1.00 54.17 ? 273 VAL E O 1 ATOM 3786 C CB . VAL E 2 66 ? 45.048 36.664 40.813 1.00 57.30 ? 273 VAL E CB 1 ATOM 3787 C CG1 . VAL E 2 66 ? 46.157 37.660 40.491 1.00 50.50 ? 273 VAL E CG1 1 ATOM 3788 C CG2 . VAL E 2 66 ? 44.569 36.854 42.249 1.00 42.17 ? 273 VAL E CG2 1 ATOM 3789 N N . LYS E 2 67 ? 44.718 37.409 37.590 1.00 49.04 ? 274 LYS E N 1 ATOM 3790 C CA . LYS E 2 67 ? 45.307 37.171 36.281 1.00 47.59 ? 274 LYS E CA 1 ATOM 3791 C C . LYS E 2 67 ? 46.717 37.740 36.272 1.00 58.77 ? 274 LYS E C 1 ATOM 3792 O O . LYS E 2 67 ? 46.930 38.911 36.612 1.00 55.91 ? 274 LYS E O 1 ATOM 3793 C CB . LYS E 2 67 ? 44.472 37.821 35.182 1.00 48.83 ? 274 LYS E CB 1 ATOM 3794 C CG . LYS E 2 67 ? 45.039 37.695 33.772 1.00 51.64 ? 274 LYS E CG 1 ATOM 3795 C CD . LYS E 2 67 ? 44.423 38.742 32.848 1.00 66.67 ? 274 LYS E CD 1 ATOM 3796 C CE . LYS E 2 67 ? 44.934 38.634 31.416 1.00 73.68 ? 274 LYS E CE 1 ATOM 3797 N NZ . LYS E 2 67 ? 44.655 37.306 30.790 1.00 71.94 ? 274 LYS E NZ 1 ATOM 3798 N N . PHE E 2 68 ? 47.674 36.902 35.880 1.00 58.11 ? 275 PHE E N 1 ATOM 3799 C CA . PHE E 2 68 ? 49.078 37.288 35.855 1.00 41.85 ? 275 PHE E CA 1 ATOM 3800 C C . PHE E 2 68 ? 49.595 37.495 34.442 1.00 39.22 ? 275 PHE E C 1 ATOM 3801 O O . PHE E 2 68 ? 49.340 36.691 33.553 1.00 38.97 ? 275 PHE E O 1 ATOM 3802 C CB . PHE E 2 68 ? 49.907 36.221 36.539 1.00 33.23 ? 275 PHE E CB 1 ATOM 3803 C CG . PHE E 2 68 ? 49.781 36.214 38.035 1.00 36.59 ? 275 PHE E CG 1 ATOM 3804 C CD1 . PHE E 2 68 ? 48.943 35.302 38.673 1.00 35.41 ? 275 PHE E CD1 1 ATOM 3805 C CD2 . PHE E 2 68 ? 50.525 37.104 38.817 1.00 37.67 ? 275 PHE E CD2 1 ATOM 3806 C CE1 . PHE E 2 68 ? 48.849 35.275 40.061 1.00 32.95 ? 275 PHE E CE1 1 ATOM 3807 C CE2 . PHE E 2 68 ? 50.429 37.084 40.201 1.00 35.13 ? 275 PHE E CE2 1 ATOM 3808 C CZ . PHE E 2 68 ? 49.592 36.170 40.823 1.00 31.89 ? 275 PHE E CZ 1 ATOM 3809 N N . ASN E 2 69 ? 50.318 38.585 34.240 1.00 40.91 ? 276 ASN E N 1 ATOM 3810 C CA . ASN E 2 69 ? 51.038 38.806 32.990 1.00 50.11 ? 276 ASN E CA 1 ATOM 3811 C C . ASN E 2 69 ? 52.517 39.020 33.305 1.00 56.16 ? 276 ASN E C 1 ATOM 3812 O O . ASN E 2 69 ? 52.859 39.732 34.254 1.00 58.53 ? 276 ASN E O 1 ATOM 3813 C CB . ASN E 2 69 ? 50.452 39.992 32.211 1.00 62.74 ? 276 ASN E CB 1 ATOM 3814 C CG . ASN E 2 69 ? 49.217 39.616 31.399 1.00 64.57 ? 276 ASN E CG 1 ATOM 3815 O OD1 . ASN E 2 69 ? 48.084 39.866 31.809 1.00 60.39 ? 276 ASN E OD1 1 ATOM 3816 N ND2 . ASN E 2 69 ? 49.438 39.015 30.238 1.00 70.80 ? 276 ASN E ND2 1 ATOM 3817 N N . TRP E 2 70 ? 53.384 38.388 32.519 1.00 56.29 ? 277 TRP E N 1 ATOM 3818 C CA . TRP E 2 70 ? 54.819 38.350 32.806 1.00 53.56 ? 277 TRP E CA 1 ATOM 3819 C C . TRP E 2 70 ? 55.647 38.888 31.669 1.00 57.01 ? 277 TRP E C 1 ATOM 3820 O O . TRP E 2 70 ? 55.470 38.475 30.518 1.00 59.65 ? 277 TRP E O 1 ATOM 3821 C CB . TRP E 2 70 ? 55.232 36.919 33.097 1.00 44.18 ? 277 TRP E CB 1 ATOM 3822 C CG . TRP E 2 70 ? 55.003 36.471 34.513 1.00 42.53 ? 277 TRP E CG 1 ATOM 3823 C CD1 . TRP E 2 70 ? 54.037 35.586 34.978 1.00 43.48 ? 277 TRP E CD1 1 ATOM 3824 C CD2 . TRP E 2 70 ? 55.778 36.854 35.705 1.00 35.92 ? 277 TRP E CD2 1 ATOM 3825 N NE1 . TRP E 2 70 ? 54.150 35.402 36.337 1.00 43.43 ? 277 TRP E NE1 1 ATOM 3826 C CE2 . TRP E 2 70 ? 55.172 36.136 36.835 1.00 37.72 ? 277 TRP E CE2 1 ATOM 3827 C CE3 . TRP E 2 70 ? 56.863 37.699 35.940 1.00 34.31 ? 277 TRP E CE3 1 ATOM 3828 C CZ2 . TRP E 2 70 ? 55.659 36.256 38.129 1.00 40.34 ? 277 TRP E CZ2 1 ATOM 3829 C CZ3 . TRP E 2 70 ? 57.339 37.824 37.247 1.00 33.65 ? 277 TRP E CZ3 1 ATOM 3830 C CH2 . TRP E 2 70 ? 56.754 37.116 38.316 1.00 42.22 ? 277 TRP E CH2 1 ATOM 3831 N N . TYR E 2 71 ? 56.568 39.804 31.971 1.00 52.81 ? 278 TYR E N 1 ATOM 3832 C CA . TYR E 2 71 ? 57.356 40.463 30.922 1.00 51.70 ? 278 TYR E CA 1 ATOM 3833 C C . TYR E 2 71 ? 58.844 40.459 31.211 1.00 50.63 ? 278 TYR E C 1 ATOM 3834 O O . TYR E 2 71 ? 59.266 40.801 32.314 1.00 60.90 ? 278 TYR E O 1 ATOM 3835 C CB . TYR E 2 71 ? 56.884 41.905 30.706 1.00 65.83 ? 278 TYR E CB 1 ATOM 3836 C CG . TYR E 2 71 ? 55.407 42.028 30.408 1.00 80.64 ? 278 TYR E CG 1 ATOM 3837 C CD1 . TYR E 2 71 ? 54.470 42.059 31.446 1.00 79.71 ? 278 TYR E CD1 1 ATOM 3838 C CD2 . TYR E 2 71 ? 54.942 42.110 29.094 1.00 74.31 ? 278 TYR E CD2 1 ATOM 3839 C CE1 . TYR E 2 71 ? 53.114 42.164 31.184 1.00 92.14 ? 278 TYR E CE1 1 ATOM 3840 C CE2 . TYR E 2 71 ? 53.585 42.217 28.824 1.00 87.57 ? 278 TYR E CE2 1 ATOM 3841 C CZ . TYR E 2 71 ? 52.677 42.244 29.872 1.00 86.86 ? 278 TYR E CZ 1 ATOM 3842 O OH . TYR E 2 71 ? 51.329 42.351 29.624 1.00 73.24 ? 278 TYR E OH 1 ATOM 3843 N N . VAL E 2 72 ? 59.629 40.085 30.201 1.00 49.44 ? 279 VAL E N 1 ATOM 3844 C CA . VAL E 2 72 ? 61.091 40.074 30.280 1.00 48.05 ? 279 VAL E CA 1 ATOM 3845 C C . VAL E 2 72 ? 61.635 41.156 29.347 1.00 52.52 ? 279 VAL E C 1 ATOM 3846 O O . VAL E 2 72 ? 61.719 40.952 28.133 1.00 53.66 ? 279 VAL E O 1 ATOM 3847 C CB . VAL E 2 72 ? 61.691 38.687 29.910 1.00 44.73 ? 279 VAL E CB 1 ATOM 3848 C CG1 . VAL E 2 72 ? 63.176 38.616 30.262 1.00 40.92 ? 279 VAL E CG1 1 ATOM 3849 C CG2 . VAL E 2 72 ? 60.936 37.562 30.610 1.00 43.68 ? 279 VAL E CG2 1 ATOM 3850 N N . ASP E 2 73 ? 62.006 42.298 29.927 1.00 53.54 ? 280 ASP E N 1 ATOM 3851 C CA . ASP E 2 73 ? 62.452 43.469 29.173 1.00 53.12 ? 280 ASP E CA 1 ATOM 3852 C C . ASP E 2 73 ? 61.355 43.956 28.229 1.00 60.05 ? 280 ASP E C 1 ATOM 3853 O O . ASP E 2 73 ? 61.619 44.282 27.066 1.00 53.41 ? 280 ASP E O 1 ATOM 3854 C CB . ASP E 2 73 ? 63.745 43.177 28.396 1.00 59.57 ? 280 ASP E CB 1 ATOM 3855 C CG . ASP E 2 73 ? 64.999 43.346 29.243 1.00 63.19 ? 280 ASP E CG 1 ATOM 3856 O OD1 . ASP E 2 73 ? 64.892 43.667 30.453 1.00 62.84 ? 280 ASP E OD1 1 ATOM 3857 O OD2 . ASP E 2 73 ? 66.102 43.157 28.686 1.00 52.01 ? 280 ASP E OD2 1 ATOM 3858 N N . GLY E 2 74 ? 60.121 43.986 28.736 1.00 66.30 ? 281 GLY E N 1 ATOM 3859 C CA . GLY E 2 74 ? 58.965 44.449 27.966 1.00 60.50 ? 281 GLY E CA 1 ATOM 3860 C C . GLY E 2 74 ? 58.290 43.378 27.126 1.00 66.14 ? 281 GLY E C 1 ATOM 3861 O O . GLY E 2 74 ? 57.074 43.412 26.946 1.00 77.89 ? 281 GLY E O 1 ATOM 3862 N N . VAL E 2 75 ? 59.081 42.433 26.612 1.00 69.82 ? 282 VAL E N 1 ATOM 3863 C CA . VAL E 2 75 ? 58.583 41.318 25.791 1.00 65.05 ? 282 VAL E CA 1 ATOM 3864 C C . VAL E 2 75 ? 57.903 40.267 26.671 1.00 64.00 ? 282 VAL E C 1 ATOM 3865 O O . VAL E 2 75 ? 58.528 39.714 27.578 1.00 56.96 ? 282 VAL E O 1 ATOM 3866 C CB . VAL E 2 75 ? 59.722 40.635 24.990 1.00 75.61 ? 282 VAL E CB 1 ATOM 3867 C CG1 . VAL E 2 75 ? 59.149 39.702 23.928 1.00 69.57 ? 282 VAL E CG1 1 ATOM 3868 C CG2 . VAL E 2 75 ? 60.654 41.667 24.362 1.00 68.57 ? 282 VAL E CG2 1 ATOM 3869 N N . GLU E 2 76 ? 56.631 39.991 26.392 1.00 59.11 ? 283 GLU E N 1 ATOM 3870 C CA . GLU E 2 76 ? 55.837 39.088 27.220 1.00 53.40 ? 283 GLU E CA 1 ATOM 3871 C C . GLU E 2 76 ? 56.299 37.637 27.111 1.00 59.61 ? 283 GLU E C 1 ATOM 3872 O O . GLU E 2 76 ? 56.840 37.220 26.080 1.00 67.15 ? 283 GLU E O 1 ATOM 3873 C CB . GLU E 2 76 ? 54.341 39.208 26.894 1.00 48.35 ? 283 GLU E CB 1 ATOM 3874 C CG . GLU E 2 76 ? 53.442 38.385 27.816 1.00 53.82 ? 283 GLU E CG 1 ATOM 3875 C CD . GLU E 2 76 ? 51.958 38.590 27.580 1.00 56.25 ? 283 GLU E CD 1 ATOM 3876 O OE1 . GLU E 2 76 ? 51.601 39.394 26.692 1.00 62.14 ? 283 GLU E OE1 1 ATOM 3877 O OE2 . GLU E 2 76 ? 51.148 37.943 28.288 1.00 47.97 ? 283 GLU E OE2 1 ATOM 3878 N N . VAL E 2 77 ? 56.097 36.888 28.198 1.00 53.59 ? 284 VAL E N 1 ATOM 3879 C CA . VAL E 2 77 ? 56.377 35.454 28.250 1.00 46.72 ? 284 VAL E CA 1 ATOM 3880 C C . VAL E 2 77 ? 55.167 34.748 28.852 1.00 48.88 ? 284 VAL E C 1 ATOM 3881 O O . VAL E 2 77 ? 54.395 35.368 29.589 1.00 57.13 ? 284 VAL E O 1 ATOM 3882 C CB . VAL E 2 77 ? 57.667 35.128 29.050 1.00 44.26 ? 284 VAL E CB 1 ATOM 3883 C CG1 . VAL E 2 77 ? 58.900 35.686 28.345 1.00 35.43 ? 284 VAL E CG1 1 ATOM 3884 C CG2 . VAL E 2 77 ? 57.582 35.652 30.475 1.00 39.71 ? 284 VAL E CG2 1 ATOM 3885 N N . HIS E 2 78 ? 55.011 33.459 28.537 1.00 51.88 ? 285 HIS E N 1 ATOM 3886 C CA . HIS E 2 78 ? 53.790 32.704 28.857 1.00 53.24 ? 285 HIS E CA 1 ATOM 3887 C C . HIS E 2 78 ? 54.045 31.450 29.642 1.00 56.74 ? 285 HIS E C 1 ATOM 3888 O O . HIS E 2 78 ? 53.172 30.585 29.742 1.00 63.40 ? 285 HIS E O 1 ATOM 3889 C CB . HIS E 2 78 ? 53.036 32.359 27.573 1.00 56.23 ? 285 HIS E CB 1 ATOM 3890 C CG . HIS E 2 78 ? 52.561 33.569 26.806 1.00 75.22 ? 285 HIS E CG 1 ATOM 3891 N ND1 . HIS E 2 78 ? 53.362 34.252 25.958 1.00 71.82 ? 285 HIS E ND1 1 ATOM 3892 C CD2 . HIS E 2 78 ? 51.328 34.223 26.799 1.00 77.30 ? 285 HIS E CD2 1 ATOM 3893 C CE1 . HIS E 2 78 ? 52.679 35.288 25.433 1.00 75.54 ? 285 HIS E CE1 1 ATOM 3894 N NE2 . HIS E 2 78 ? 51.432 35.268 25.947 1.00 90.21 ? 285 HIS E NE2 1 ATOM 3895 N N . ASN E 2 79 ? 55.231 31.334 30.226 1.00 55.04 ? 286 ASN E N 1 ATOM 3896 C CA . ASN E 2 79 ? 55.621 30.075 30.843 1.00 51.19 ? 286 ASN E CA 1 ATOM 3897 C C . ASN E 2 79 ? 55.341 29.947 32.339 1.00 49.69 ? 286 ASN E C 1 ATOM 3898 O O . ASN E 2 79 ? 55.599 28.893 32.917 1.00 53.99 ? 286 ASN E O 1 ATOM 3899 C CB . ASN E 2 79 ? 57.078 29.719 30.514 1.00 54.77 ? 286 ASN E CB 1 ATOM 3900 C CG . ASN E 2 79 ? 58.072 30.676 31.131 1.00 67.95 ? 286 ASN E CG 1 ATOM 3901 O OD1 . ASN E 2 79 ? 58.320 31.763 30.605 1.00 73.38 ? 286 ASN E OD1 1 ATOM 3902 N ND2 . ASN E 2 79 ? 58.662 30.269 32.252 1.00 75.76 ? 286 ASN E ND2 1 ATOM 3903 N N . ALA E 2 80 ? 54.786 30.990 32.956 1.00 47.25 ? 287 ALA E N 1 ATOM 3904 C CA . ALA E 2 80 ? 54.566 30.984 34.417 1.00 47.10 ? 287 ALA E CA 1 ATOM 3905 C C . ALA E 2 80 ? 53.683 29.839 34.925 1.00 44.58 ? 287 ALA E C 1 ATOM 3906 O O . ALA E 2 80 ? 52.842 29.326 34.189 1.00 46.24 ? 287 ALA E O 1 ATOM 3907 C CB . ALA E 2 80 ? 54.012 32.317 34.874 1.00 44.77 ? 287 ALA E CB 1 ATOM 3908 N N . LYS E 2 81 ? 53.913 29.411 36.167 1.00 41.38 ? 288 LYS E N 1 ATOM 3909 C CA . LYS E 2 81 ? 53.012 28.464 36.838 1.00 46.24 ? 288 LYS E CA 1 ATOM 3910 C C . LYS E 2 81 ? 52.292 29.205 37.953 1.00 51.23 ? 288 LYS E C 1 ATOM 3911 O O . LYS E 2 81 ? 52.851 30.114 38.569 1.00 49.81 ? 288 LYS E O 1 ATOM 3912 C CB . LYS E 2 81 ? 53.750 27.238 37.401 1.00 39.29 ? 288 LYS E CB 1 ATOM 3913 N N . THR E 2 82 ? 51.044 28.825 38.198 1.00 54.59 ? 289 THR E N 1 ATOM 3914 C CA . THR E 2 82 ? 50.257 29.458 39.244 1.00 51.67 ? 289 THR E CA 1 ATOM 3915 C C . THR E 2 82 ? 50.030 28.496 40.414 1.00 48.64 ? 289 THR E C 1 ATOM 3916 O O . THR E 2 82 ? 49.673 27.336 40.232 1.00 49.81 ? 289 THR E O 1 ATOM 3917 C CB . THR E 2 82 ? 48.938 30.032 38.680 1.00 55.46 ? 289 THR E CB 1 ATOM 3918 O OG1 . THR E 2 82 ? 49.234 31.122 37.793 1.00 48.28 ? 289 THR E OG1 1 ATOM 3919 C CG2 . THR E 2 82 ? 48.047 30.543 39.799 1.00 63.69 ? 289 THR E CG2 1 ATOM 3920 N N . LYS E 2 83 ? 50.279 28.979 41.621 1.00 59.66 ? 290 LYS E N 1 ATOM 3921 C CA . LYS E 2 83 ? 50.084 28.160 42.802 1.00 68.55 ? 290 LYS E CA 1 ATOM 3922 C C . LYS E 2 83 ? 48.609 28.179 43.215 1.00 67.17 ? 290 LYS E C 1 ATOM 3923 O O . LYS E 2 83 ? 47.911 29.191 43.014 1.00 55.02 ? 290 LYS E O 1 ATOM 3924 C CB . LYS E 2 83 ? 50.992 28.638 43.943 1.00 73.05 ? 290 LYS E CB 1 ATOM 3925 N N . PRO E 2 84 ? 48.120 27.046 43.757 1.00 68.09 ? 291 PRO E N 1 ATOM 3926 C CA . PRO E 2 84 ? 46.819 26.965 44.436 1.00 58.94 ? 291 PRO E CA 1 ATOM 3927 C C . PRO E 2 84 ? 46.686 28.017 45.541 1.00 64.92 ? 291 PRO E C 1 ATOM 3928 O O . PRO E 2 84 ? 47.621 28.208 46.330 1.00 69.11 ? 291 PRO E O 1 ATOM 3929 C CB . PRO E 2 84 ? 46.818 25.551 45.043 1.00 61.92 ? 291 PRO E CB 1 ATOM 3930 C CG . PRO E 2 84 ? 48.159 24.949 44.733 1.00 68.61 ? 291 PRO E CG 1 ATOM 3931 C CD . PRO E 2 84 ? 48.720 25.714 43.575 1.00 69.28 ? 291 PRO E CD 1 ATOM 3932 N N . ARG E 2 85 ? 45.543 28.702 45.586 1.00 66.04 ? 292 ARG E N 1 ATOM 3933 C CA . ARG E 2 85 ? 45.338 29.783 46.552 1.00 72.83 ? 292 ARG E CA 1 ATOM 3934 C C . ARG E 2 85 ? 45.232 29.288 47.991 1.00 74.05 ? 292 ARG E C 1 ATOM 3935 O O . ARG E 2 85 ? 44.535 28.313 48.279 1.00 77.38 ? 292 ARG E O 1 ATOM 3936 C CB . ARG E 2 85 ? 44.147 30.675 46.174 1.00 74.86 ? 292 ARG E CB 1 ATOM 3937 C CG . ARG E 2 85 ? 42.764 30.027 46.200 1.00 83.28 ? 292 ARG E CG 1 ATOM 3938 C CD . ARG E 2 85 ? 41.787 30.891 45.416 1.00 84.26 ? 292 ARG E CD 1 ATOM 3939 N NE . ARG E 2 85 ? 40.388 30.523 45.616 1.00 82.90 ? 292 ARG E NE 1 ATOM 3940 C CZ . ARG E 2 85 ? 39.395 30.870 44.796 1.00 80.78 ? 292 ARG E CZ 1 ATOM 3941 N NH1 . ARG E 2 85 ? 38.156 30.485 45.068 1.00 71.88 ? 292 ARG E NH1 1 ATOM 3942 N NH2 . ARG E 2 85 ? 39.637 31.585 43.696 1.00 63.65 ? 292 ARG E NH2 1 ATOM 3943 N N . GLU E 2 86 ? 45.962 29.951 48.879 1.00 77.95 ? 293 GLU E N 1 ATOM 3944 C CA . GLU E 2 86 ? 45.953 29.612 50.292 1.00 78.48 ? 293 GLU E CA 1 ATOM 3945 C C . GLU E 2 86 ? 45.054 30.593 51.036 1.00 81.90 ? 293 GLU E C 1 ATOM 3946 O O . GLU E 2 86 ? 45.067 31.802 50.757 1.00 66.93 ? 293 GLU E O 1 ATOM 3947 C CB . GLU E 2 86 ? 47.377 29.637 50.859 1.00 76.51 ? 293 GLU E CB 1 ATOM 3948 N N . GLU E 2 87 ? 44.266 30.064 51.969 1.00 83.35 ? 294 GLU E N 1 ATOM 3949 C CA . GLU E 2 87 ? 43.414 30.890 52.821 1.00 89.23 ? 294 GLU E CA 1 ATOM 3950 C C . GLU E 2 87 ? 44.225 31.544 53.943 1.00 80.34 ? 294 GLU E C 1 ATOM 3951 O O . GLU E 2 87 ? 45.046 30.887 54.587 1.00 74.15 ? 294 GLU E O 1 ATOM 3952 C CB . GLU E 2 87 ? 42.270 30.054 53.400 1.00 95.26 ? 294 GLU E CB 1 ATOM 3953 C CG . GLU E 2 87 ? 41.132 30.883 53.983 1.00 113.89 ? 294 GLU E CG 1 ATOM 3954 C CD . GLU E 2 87 ? 39.894 30.060 54.283 1.00 110.30 ? 294 GLU E CD 1 ATOM 3955 O OE1 . GLU E 2 87 ? 39.606 29.108 53.524 1.00 111.97 ? 294 GLU E OE1 1 ATOM 3956 O OE2 . GLU E 2 87 ? 39.205 30.375 55.274 1.00 97.07 ? 294 GLU E OE2 1 ATOM 3957 N N . GLN E 2 88 ? 43.998 32.839 54.161 1.00 82.46 ? 295 GLN E N 1 ATOM 3958 C CA . GLN E 2 88 ? 44.665 33.565 55.247 1.00 99.47 ? 295 GLN E CA 1 ATOM 3959 C C . GLN E 2 88 ? 43.805 33.655 56.517 1.00 122.34 ? 295 GLN E C 1 ATOM 3960 O O . GLN E 2 88 ? 42.717 33.073 56.576 1.00 123.16 ? 295 GLN E O 1 ATOM 3961 C CB . GLN E 2 88 ? 45.181 34.936 54.782 1.00 92.38 ? 295 GLN E CB 1 ATOM 3962 C CG . GLN E 2 88 ? 46.350 34.884 53.795 1.00 81.65 ? 295 GLN E CG 1 ATOM 3963 C CD . GLN E 2 88 ? 47.436 33.878 54.171 1.00 77.13 ? 295 GLN E CD 1 ATOM 3964 O OE1 . GLN E 2 88 ? 47.295 32.677 53.938 1.00 86.51 ? 295 GLN E OE1 1 ATOM 3965 N NE2 . GLN E 2 88 ? 48.534 34.370 54.731 1.00 62.65 ? 295 GLN E NE2 1 ATOM 3966 N N . TYR E 2 89 ? 44.285 34.392 57.519 1.00 135.14 ? 296 TYR E N 1 ATOM 3967 C CA . TYR E 2 89 ? 43.902 34.117 58.911 1.00 117.97 ? 296 TYR E CA 1 ATOM 3968 C C . TYR E 2 89 ? 42.993 34.991 59.799 1.00 111.63 ? 296 TYR E C 1 ATOM 3969 O O . TYR E 2 89 ? 42.425 34.433 60.738 1.00 107.97 ? 296 TYR E O 1 ATOM 3970 C CB . TYR E 2 89 ? 45.141 33.697 59.716 1.00 119.39 ? 296 TYR E CB 1 ATOM 3971 C CG . TYR E 2 89 ? 45.191 32.211 60.003 1.00 124.49 ? 296 TYR E CG 1 ATOM 3972 C CD1 . TYR E 2 89 ? 44.877 31.718 61.271 1.00 116.39 ? 296 TYR E CD1 1 ATOM 3973 C CD2 . TYR E 2 89 ? 45.539 31.295 59.005 1.00 126.51 ? 296 TYR E CD2 1 ATOM 3974 C CE1 . TYR E 2 89 ? 44.915 30.359 61.543 1.00 115.75 ? 296 TYR E CE1 1 ATOM 3975 C CE2 . TYR E 2 89 ? 45.579 29.933 59.266 1.00 136.23 ? 296 TYR E CE2 1 ATOM 3976 C CZ . TYR E 2 89 ? 45.267 29.470 60.536 1.00 129.73 ? 296 TYR E CZ 1 ATOM 3977 O OH . TYR E 2 89 ? 45.307 28.120 60.803 1.00 110.99 ? 296 TYR E OH 1 ATOM 3978 N N . ASN E 2 90 ? 42.788 36.300 59.581 1.00 113.13 ? 297 ASN E N 1 ATOM 3979 C CA . ASN E 2 90 ? 42.986 37.131 58.364 1.00 112.16 ? 297 ASN E CA 1 ATOM 3980 C C . ASN E 2 90 ? 41.901 37.027 57.284 1.00 109.19 ? 297 ASN E C 1 ATOM 3981 O O . ASN E 2 90 ? 41.494 38.039 56.706 1.00 81.56 ? 297 ASN E O 1 ATOM 3982 C CB . ASN E 2 90 ? 44.427 37.165 57.812 1.00 110.64 ? 297 ASN E CB 1 ATOM 3983 C CG . ASN E 2 90 ? 45.236 38.320 58.387 1.00 134.00 ? 297 ASN E CG 1 ATOM 3984 O OD1 . ASN E 2 90 ? 45.017 38.718 59.533 1.00 151.24 ? 297 ASN E OD1 1 ATOM 3985 N ND2 . ASN E 2 90 ? 46.168 38.876 57.606 1.00 136.33 ? 297 ASN E ND2 1 ATOM 3986 N N . SER E 2 91 ? 41.426 35.800 57.058 1.00 118.00 ? 298 SER E N 1 ATOM 3987 C CA . SER E 2 91 ? 40.294 35.496 56.167 1.00 121.20 ? 298 SER E CA 1 ATOM 3988 C C . SER E 2 91 ? 40.406 36.080 54.750 1.00 129.47 ? 298 SER E C 1 ATOM 3989 O O . SER E 2 91 ? 39.400 36.443 54.134 1.00 136.67 ? 298 SER E O 1 ATOM 3990 C CB . SER E 2 91 ? 38.959 35.881 56.827 1.00 105.57 ? 298 SER E CB 1 ATOM 3991 N N . THR E 2 92 ? 41.636 36.166 54.247 1.00 135.56 ? 299 THR E N 1 ATOM 3992 C CA . THR E 2 92 ? 41.896 36.615 52.875 1.00 118.16 ? 299 THR E CA 1 ATOM 3993 C C . THR E 2 92 ? 42.521 35.490 52.041 1.00 101.22 ? 299 THR E C 1 ATOM 3994 O O . THR E 2 92 ? 42.690 34.364 52.525 1.00 79.11 ? 299 THR E O 1 ATOM 3995 C CB . THR E 2 92 ? 42.794 37.879 52.833 1.00 108.19 ? 299 THR E CB 1 ATOM 3996 O OG1 . THR E 2 92 ? 43.799 37.802 53.853 1.00 117.04 ? 299 THR E OG1 1 ATOM 3997 C CG2 . THR E 2 92 ? 41.966 39.144 53.035 1.00 93.93 ? 299 THR E CG2 1 ATOM 3998 N N . TYR E 2 93 ? 42.839 35.790 50.784 1.00 92.06 ? 300 TYR E N 1 ATOM 3999 C CA . TYR E 2 93 ? 43.562 34.847 49.933 1.00 71.35 ? 300 TYR E CA 1 ATOM 4000 C C . TYR E 2 93 ? 44.963 35.327 49.574 1.00 66.95 ? 300 TYR E C 1 ATOM 4001 O O . TYR E 2 93 ? 45.213 36.531 49.419 1.00 65.73 ? 300 TYR E O 1 ATOM 4002 C CB . TYR E 2 93 ? 42.764 34.499 48.670 1.00 55.48 ? 300 TYR E CB 1 ATOM 4003 C CG . TYR E 2 93 ? 41.763 33.395 48.895 1.00 56.92 ? 300 TYR E CG 1 ATOM 4004 C CD1 . TYR E 2 93 ? 40.400 33.598 48.668 1.00 65.29 ? 300 TYR E CD1 1 ATOM 4005 C CD2 . TYR E 2 93 ? 42.174 32.143 49.356 1.00 56.81 ? 300 TYR E CD2 1 ATOM 4006 C CE1 . TYR E 2 93 ? 39.477 32.578 48.884 1.00 60.38 ? 300 TYR E CE1 1 ATOM 4007 C CE2 . TYR E 2 93 ? 41.265 31.120 49.573 1.00 56.37 ? 300 TYR E CE2 1 ATOM 4008 C CZ . TYR E 2 93 ? 39.920 31.340 49.339 1.00 61.30 ? 300 TYR E CZ 1 ATOM 4009 O OH . TYR E 2 93 ? 39.028 30.315 49.560 1.00 64.38 ? 300 TYR E OH 1 ATOM 4010 N N . ARG E 2 94 ? 45.874 34.364 49.476 1.00 66.76 ? 301 ARG E N 1 ATOM 4011 C CA . ARG E 2 94 ? 47.214 34.582 48.948 1.00 64.79 ? 301 ARG E CA 1 ATOM 4012 C C . ARG E 2 94 ? 47.305 33.760 47.672 1.00 56.26 ? 301 ARG E C 1 ATOM 4013 O O . ARG E 2 94 ? 47.076 32.546 47.700 1.00 46.01 ? 301 ARG E O 1 ATOM 4014 C CB . ARG E 2 94 ? 48.255 34.115 49.966 1.00 67.26 ? 301 ARG E CB 1 ATOM 4015 C CG . ARG E 2 94 ? 49.706 34.384 49.605 1.00 63.61 ? 301 ARG E CG 1 ATOM 4016 C CD . ARG E 2 94 ? 50.604 33.911 50.742 1.00 66.66 ? 301 ARG E CD 1 ATOM 4017 N NE . ARG E 2 94 ? 52.028 34.070 50.452 1.00 70.62 ? 301 ARG E NE 1 ATOM 4018 C CZ . ARG E 2 94 ? 52.805 33.113 49.951 1.00 67.63 ? 301 ARG E CZ 1 ATOM 4019 N NH1 . ARG E 2 94 ? 52.306 31.911 49.675 1.00 58.80 ? 301 ARG E NH1 1 ATOM 4020 N NH2 . ARG E 2 94 ? 54.085 33.361 49.723 1.00 71.95 ? 301 ARG E NH2 1 ATOM 4021 N N . VAL E 2 95 ? 47.603 34.431 46.558 1.00 56.91 ? 302 VAL E N 1 ATOM 4022 C CA . VAL E 2 95 ? 47.716 33.781 45.243 1.00 56.87 ? 302 VAL E CA 1 ATOM 4023 C C . VAL E 2 95 ? 49.107 34.032 44.674 1.00 58.29 ? 302 VAL E C 1 ATOM 4024 O O . VAL E 2 95 ? 49.523 35.190 44.513 1.00 59.85 ? 302 VAL E O 1 ATOM 4025 C CB . VAL E 2 95 ? 46.666 34.301 44.227 1.00 57.50 ? 302 VAL E CB 1 ATOM 4026 C CG1 . VAL E 2 95 ? 46.341 33.224 43.207 1.00 50.05 ? 302 VAL E CG1 1 ATOM 4027 C CG2 . VAL E 2 95 ? 45.390 34.761 44.921 1.00 61.87 ? 302 VAL E CG2 1 ATOM 4028 N N . VAL E 2 96 ? 49.818 32.949 44.361 1.00 58.31 ? 303 VAL E N 1 ATOM 4029 C CA . VAL E 2 96 ? 51.232 33.040 43.966 1.00 60.97 ? 303 VAL E CA 1 ATOM 4030 C C . VAL E 2 96 ? 51.489 32.604 42.522 1.00 53.14 ? 303 VAL E C 1 ATOM 4031 O O . VAL E 2 96 ? 50.964 31.584 42.072 1.00 53.52 ? 303 VAL E O 1 ATOM 4032 C CB . VAL E 2 96 ? 52.134 32.235 44.932 1.00 65.34 ? 303 VAL E CB 1 ATOM 4033 C CG1 . VAL E 2 96 ? 53.552 32.127 44.392 1.00 56.31 ? 303 VAL E CG1 1 ATOM 4034 C CG2 . VAL E 2 96 ? 52.130 32.858 46.326 1.00 60.88 ? 303 VAL E CG2 1 ATOM 4035 N N . SER E 2 97 ? 52.304 33.383 41.810 1.00 47.19 ? 304 SER E N 1 ATOM 4036 C CA . SER E 2 97 ? 52.700 33.061 40.445 1.00 42.11 ? 304 SER E CA 1 ATOM 4037 C C . SER E 2 97 ? 54.214 32.945 40.336 1.00 43.67 ? 304 SER E C 1 ATOM 4038 O O . SER E 2 97 ? 54.948 33.901 40.591 1.00 43.38 ? 304 SER E O 1 ATOM 4039 C CB . SER E 2 97 ? 52.180 34.107 39.455 1.00 42.66 ? 304 SER E CB 1 ATOM 4040 O OG . SER E 2 97 ? 52.575 33.822 38.113 1.00 48.69 ? 304 SER E OG 1 ATOM 4041 N N . VAL E 2 98 ? 54.658 31.770 39.910 1.00 48.53 ? 305 VAL E N 1 ATOM 4042 C CA . VAL E 2 98 ? 56.066 31.424 39.818 1.00 45.84 ? 305 VAL E CA 1 ATOM 4043 C C . VAL E 2 98 ? 56.513 31.434 38.359 1.00 47.24 ? 305 VAL E C 1 ATOM 4044 O O . VAL E 2 98 ? 56.026 30.620 37.566 1.00 56.69 ? 305 VAL E O 1 ATOM 4045 C CB . VAL E 2 98 ? 56.288 30.019 40.431 1.00 49.93 ? 305 VAL E CB 1 ATOM 4046 C CG1 . VAL E 2 98 ? 57.644 29.451 40.057 1.00 48.28 ? 305 VAL E CG1 1 ATOM 4047 C CG2 . VAL E 2 98 ? 56.122 30.063 41.945 1.00 49.09 ? 305 VAL E CG2 1 ATOM 4048 N N . LEU E 2 99 ? 57.425 32.348 38.005 1.00 42.16 ? 306 LEU E N 1 ATOM 4049 C CA . LEU E 2 99 ? 58.038 32.353 36.662 1.00 46.05 ? 306 LEU E CA 1 ATOM 4050 C C . LEU E 2 99 ? 59.473 31.800 36.626 1.00 54.17 ? 306 LEU E C 1 ATOM 4051 O O . LEU E 2 99 ? 60.382 32.341 37.263 1.00 54.93 ? 306 LEU E O 1 ATOM 4052 C CB . LEU E 2 99 ? 58.011 33.747 36.007 1.00 42.36 ? 306 LEU E CB 1 ATOM 4053 C CG . LEU E 2 99 ? 58.665 33.851 34.606 1.00 41.02 ? 306 LEU E CG 1 ATOM 4054 C CD1 . LEU E 2 99 ? 57.750 33.375 33.483 1.00 34.71 ? 306 LEU E CD1 1 ATOM 4055 C CD2 . LEU E 2 99 ? 59.138 35.262 34.299 1.00 35.27 ? 306 LEU E CD2 1 ATOM 4056 N N . THR E 2 100 ? 59.668 30.735 35.852 1.00 56.98 ? 307 THR E N 1 ATOM 4057 C CA . THR E 2 100 ? 61.003 30.232 35.542 1.00 46.48 ? 307 THR E CA 1 ATOM 4058 C C . THR E 2 100 ? 61.748 31.219 34.644 1.00 46.38 ? 307 THR E C 1 ATOM 4059 O O . THR E 2 100 ? 61.206 31.699 33.648 1.00 52.89 ? 307 THR E O 1 ATOM 4060 C CB . THR E 2 100 ? 60.927 28.842 34.897 1.00 46.36 ? 307 THR E CB 1 ATOM 4061 O OG1 . THR E 2 100 ? 60.660 27.879 35.920 1.00 52.82 ? 307 THR E OG1 1 ATOM 4062 C CG2 . THR E 2 100 ? 62.230 28.475 34.219 1.00 65.47 ? 307 THR E CG2 1 ATOM 4063 N N . VAL E 2 101 ? 62.977 31.547 35.034 1.00 42.22 ? 308 VAL E N 1 ATOM 4064 C CA . VAL E 2 101 ? 63.833 32.426 34.246 1.00 43.89 ? 308 VAL E CA 1 ATOM 4065 C C . VAL E 2 101 ? 65.078 31.706 33.707 1.00 45.77 ? 308 VAL E C 1 ATOM 4066 O O . VAL E 2 101 ? 65.483 30.644 34.198 1.00 42.26 ? 308 VAL E O 1 ATOM 4067 C CB . VAL E 2 101 ? 64.247 33.686 35.033 1.00 53.06 ? 308 VAL E CB 1 ATOM 4068 C CG1 . VAL E 2 101 ? 63.021 34.459 35.484 1.00 46.85 ? 308 VAL E CG1 1 ATOM 4069 C CG2 . VAL E 2 101 ? 65.128 33.324 36.225 1.00 64.83 ? 308 VAL E CG2 1 ATOM 4070 N N . LEU E 2 102 ? 65.669 32.281 32.671 1.00 43.95 ? 309 LEU E N 1 ATOM 4071 C CA . LEU E 2 102 ? 66.912 31.757 32.144 1.00 48.58 ? 309 LEU E CA 1 ATOM 4072 C C . LEU E 2 102 ? 68.032 32.371 32.978 1.00 49.75 ? 309 LEU E C 1 ATOM 4073 O O . LEU E 2 102 ? 68.058 33.592 33.166 1.00 50.62 ? 309 LEU E O 1 ATOM 4074 C CB . LEU E 2 102 ? 67.064 32.100 30.649 1.00 48.82 ? 309 LEU E CB 1 ATOM 4075 C CG . LEU E 2 102 ? 65.884 31.872 29.690 1.00 44.95 ? 309 LEU E CG 1 ATOM 4076 C CD1 . LEU E 2 102 ? 66.210 32.268 28.254 1.00 35.75 ? 309 LEU E CD1 1 ATOM 4077 C CD2 . LEU E 2 102 ? 65.421 30.429 29.732 1.00 44.05 ? 309 LEU E CD2 1 ATOM 4078 N N . HIS E 2 103 ? 68.932 31.521 33.491 1.00 58.94 ? 310 HIS E N 1 ATOM 4079 C CA . HIS E 2 103 ? 70.060 31.952 34.346 1.00 49.34 ? 310 HIS E CA 1 ATOM 4080 C C . HIS E 2 103 ? 70.759 33.149 33.765 1.00 46.68 ? 310 HIS E C 1 ATOM 4081 O O . HIS E 2 103 ? 70.988 34.129 34.467 1.00 42.98 ? 310 HIS E O 1 ATOM 4082 C CB . HIS E 2 103 ? 71.094 30.842 34.534 1.00 38.33 ? 310 HIS E CB 1 ATOM 4083 C CG . HIS E 2 103 ? 70.529 29.529 35.020 1.00 37.22 ? 310 HIS E CG 1 ATOM 4084 N ND1 . HIS E 2 103 ? 69.822 28.704 34.222 1.00 41.86 ? 310 HIS E ND1 1 ATOM 4085 C CD2 . HIS E 2 103 ? 70.638 28.885 36.253 1.00 39.41 ? 310 HIS E CD2 1 ATOM 4086 C CE1 . HIS E 2 103 ? 69.478 27.595 34.912 1.00 39.87 ? 310 HIS E CE1 1 ATOM 4087 N NE2 . HIS E 2 103 ? 69.972 27.710 36.154 1.00 44.38 ? 310 HIS E NE2 1 ATOM 4088 N N . GLN E 2 104 ? 71.080 33.082 32.470 1.00 46.06 ? 311 GLN E N 1 ATOM 4089 C CA . GLN E 2 104 ? 71.845 34.136 31.788 1.00 52.72 ? 311 GLN E CA 1 ATOM 4090 C C . GLN E 2 104 ? 71.132 35.478 31.827 1.00 53.27 ? 311 GLN E C 1 ATOM 4091 O O . GLN E 2 104 ? 71.763 36.508 32.080 1.00 54.13 ? 311 GLN E O 1 ATOM 4092 C CB . GLN E 2 104 ? 72.148 33.769 30.326 1.00 46.86 ? 311 GLN E CB 1 ATOM 4093 C CG . GLN E 2 104 ? 71.990 32.296 29.995 1.00 54.55 ? 311 GLN E CG 1 ATOM 4094 C CD . GLN E 2 104 ? 70.713 31.984 29.241 1.00 54.89 ? 311 GLN E CD 1 ATOM 4095 O OE1 . GLN E 2 104 ? 70.233 32.794 28.453 1.00 62.38 ? 311 GLN E OE1 1 ATOM 4096 N NE2 . GLN E 2 104 ? 70.168 30.791 29.462 1.00 58.91 ? 311 GLN E NE2 1 ATOM 4097 N N . ASP E 2 105 ? 69.821 35.457 31.581 1.00 53.15 ? 312 ASP E N 1 ATOM 4098 C CA . ASP E 2 105 ? 69.024 36.682 31.505 1.00 50.63 ? 312 ASP E CA 1 ATOM 4099 C C . ASP E 2 105 ? 69.047 37.443 32.809 1.00 47.81 ? 312 ASP E C 1 ATOM 4100 O O . ASP E 2 105 ? 69.217 38.665 32.810 1.00 54.00 ? 312 ASP E O 1 ATOM 4101 C CB . ASP E 2 105 ? 67.580 36.385 31.110 1.00 49.28 ? 312 ASP E CB 1 ATOM 4102 C CG . ASP E 2 105 ? 67.445 35.940 29.674 1.00 61.53 ? 312 ASP E CG 1 ATOM 4103 O OD1 . ASP E 2 105 ? 68.283 36.349 28.834 1.00 62.75 ? 312 ASP E OD1 1 ATOM 4104 O OD2 . ASP E 2 105 ? 66.489 35.187 29.386 1.00 55.39 ? 312 ASP E OD2 1 ATOM 4105 N N . TRP E 2 106 ? 68.878 36.722 33.915 1.00 47.71 ? 313 TRP E N 1 ATOM 4106 C CA . TRP E 2 106 ? 68.969 37.342 35.227 1.00 54.39 ? 313 TRP E CA 1 ATOM 4107 C C . TRP E 2 106 ? 70.336 37.927 35.431 1.00 57.95 ? 313 TRP E C 1 ATOM 4108 O O . TRP E 2 106 ? 70.467 39.099 35.783 1.00 66.12 ? 313 TRP E O 1 ATOM 4109 C CB . TRP E 2 106 ? 68.659 36.352 36.340 1.00 56.33 ? 313 TRP E CB 1 ATOM 4110 C CG . TRP E 2 106 ? 68.777 37.005 37.697 1.00 62.20 ? 313 TRP E CG 1 ATOM 4111 C CD1 . TRP E 2 106 ? 69.863 36.979 38.565 1.00 55.76 ? 313 TRP E CD1 1 ATOM 4112 C CD2 . TRP E 2 106 ? 67.782 37.854 38.362 1.00 66.07 ? 313 TRP E CD2 1 ATOM 4113 N NE1 . TRP E 2 106 ? 69.607 37.713 39.694 1.00 49.33 ? 313 TRP E NE1 1 ATOM 4114 C CE2 . TRP E 2 106 ? 68.381 38.266 39.636 1.00 59.16 ? 313 TRP E CE2 1 ATOM 4115 C CE3 . TRP E 2 106 ? 66.501 38.287 38.047 1.00 65.09 ? 313 TRP E CE3 1 ATOM 4116 C CZ2 . TRP E 2 106 ? 67.705 39.075 40.536 1.00 66.54 ? 313 TRP E CZ2 1 ATOM 4117 C CZ3 . TRP E 2 106 ? 65.831 39.102 38.963 1.00 65.51 ? 313 TRP E CZ3 1 ATOM 4118 C CH2 . TRP E 2 106 ? 66.419 39.485 40.177 1.00 61.26 ? 313 TRP E CH2 1 ATOM 4119 N N . LEU E 2 107 ? 71.365 37.115 35.193 1.00 52.74 ? 314 LEU E N 1 ATOM 4120 C CA . LEU E 2 107 ? 72.750 37.530 35.399 1.00 55.45 ? 314 LEU E CA 1 ATOM 4121 C C . LEU E 2 107 ? 73.161 38.699 34.511 1.00 61.27 ? 314 LEU E C 1 ATOM 4122 O O . LEU E 2 107 ? 73.995 39.509 34.913 1.00 74.87 ? 314 LEU E O 1 ATOM 4123 C CB . LEU E 2 107 ? 73.712 36.352 35.215 1.00 51.12 ? 314 LEU E CB 1 ATOM 4124 C CG . LEU E 2 107 ? 73.634 35.214 36.247 1.00 46.76 ? 314 LEU E CG 1 ATOM 4125 C CD1 . LEU E 2 107 ? 74.207 33.924 35.665 1.00 45.33 ? 314 LEU E CD1 1 ATOM 4126 C CD2 . LEU E 2 107 ? 74.323 35.567 37.558 1.00 41.25 ? 314 LEU E CD2 1 ATOM 4127 N N . ASN E 2 108 ? 72.572 38.797 33.320 1.00 56.10 ? 315 ASN E N 1 ATOM 4128 C CA . ASN E 2 108 ? 72.885 39.906 32.411 1.00 51.62 ? 315 ASN E CA 1 ATOM 4129 C C . ASN E 2 108 ? 72.069 41.164 32.686 1.00 53.72 ? 315 ASN E C 1 ATOM 4130 O O . ASN E 2 108 ? 72.194 42.152 31.973 1.00 65.24 ? 315 ASN E O 1 ATOM 4131 C CB . ASN E 2 108 ? 72.766 39.475 30.947 1.00 51.40 ? 315 ASN E CB 1 ATOM 4132 C CG . ASN E 2 108 ? 73.754 38.377 30.580 1.00 54.75 ? 315 ASN E CG 1 ATOM 4133 O OD1 . ASN E 2 108 ? 74.807 38.243 31.202 1.00 57.01 ? 315 ASN E OD1 1 ATOM 4134 N ND2 . ASN E 2 108 ? 73.418 37.583 29.564 1.00 53.70 ? 315 ASN E ND2 1 ATOM 4135 N N . GLY E 2 109 ? 71.236 41.119 33.723 1.00 59.05 ? 316 GLY E N 1 ATOM 4136 C CA . GLY E 2 109 ? 70.480 42.290 34.173 1.00 59.85 ? 316 GLY E CA 1 ATOM 4137 C C . GLY E 2 109 ? 69.222 42.641 33.394 1.00 64.45 ? 316 GLY E C 1 ATOM 4138 O O . GLY E 2 109 ? 68.939 43.820 33.172 1.00 57.39 ? 316 GLY E O 1 ATOM 4139 N N . LYS E 2 110 ? 68.464 41.628 32.976 1.00 59.49 ? 317 LYS E N 1 ATOM 4140 C CA . LYS E 2 110 ? 67.170 41.858 32.331 1.00 56.37 ? 317 LYS E CA 1 ATOM 4141 C C . LYS E 2 110 ? 66.104 42.023 33.402 1.00 60.75 ? 317 LYS E C 1 ATOM 4142 O O . LYS E 2 110 ? 66.137 41.337 34.426 1.00 61.02 ? 317 LYS E O 1 ATOM 4143 C CB . LYS E 2 110 ? 66.809 40.704 31.395 1.00 60.74 ? 317 LYS E CB 1 ATOM 4144 C CG . LYS E 2 110 ? 67.708 40.590 30.171 1.00 61.91 ? 317 LYS E CG 1 ATOM 4145 C CD . LYS E 2 110 ? 67.197 39.528 29.214 1.00 54.70 ? 317 LYS E CD 1 ATOM 4146 C CE . LYS E 2 110 ? 68.027 39.476 27.944 1.00 50.65 ? 317 LYS E CE 1 ATOM 4147 N NZ . LYS E 2 110 ? 67.443 38.511 26.972 1.00 51.35 ? 317 LYS E NZ 1 ATOM 4148 N N . GLU E 2 111 ? 65.167 42.939 33.175 1.00 68.20 ? 318 GLU E N 1 ATOM 4149 C CA . GLU E 2 111 ? 64.136 43.240 34.170 1.00 68.01 ? 318 GLU E CA 1 ATOM 4150 C C . GLU E 2 111 ? 62.890 42.376 33.975 1.00 58.76 ? 318 GLU E C 1 ATOM 4151 O O . GLU E 2 111 ? 62.425 42.182 32.852 1.00 55.97 ? 318 GLU E O 1 ATOM 4152 C CB . GLU E 2 111 ? 63.775 44.733 34.152 1.00 72.18 ? 318 GLU E CB 1 ATOM 4153 N N . TYR E 2 112 ? 62.363 41.854 35.078 1.00 53.13 ? 319 TYR E N 1 ATOM 4154 C CA . TYR E 2 112 ? 61.168 41.027 35.041 1.00 52.02 ? 319 TYR E CA 1 ATOM 4155 C C . TYR E 2 112 ? 60.002 41.780 35.638 1.00 66.89 ? 319 TYR E C 1 ATOM 4156 O O . TYR E 2 112 ? 60.114 42.363 36.718 1.00 70.34 ? 319 TYR E O 1 ATOM 4157 C CB . TYR E 2 112 ? 61.397 39.704 35.770 1.00 52.17 ? 319 TYR E CB 1 ATOM 4158 C CG . TYR E 2 112 ? 62.456 38.877 35.102 1.00 54.04 ? 319 TYR E CG 1 ATOM 4159 C CD1 . TYR E 2 112 ? 63.809 39.075 35.387 1.00 44.67 ? 319 TYR E CD1 1 ATOM 4160 C CD2 . TYR E 2 112 ? 62.113 37.920 34.155 1.00 49.84 ? 319 TYR E CD2 1 ATOM 4161 C CE1 . TYR E 2 112 ? 64.785 38.335 34.745 1.00 46.90 ? 319 TYR E CE1 1 ATOM 4162 C CE2 . TYR E 2 112 ? 63.084 37.177 33.512 1.00 52.68 ? 319 TYR E CE2 1 ATOM 4163 C CZ . TYR E 2 112 ? 64.413 37.387 33.812 1.00 49.27 ? 319 TYR E CZ 1 ATOM 4164 O OH . TYR E 2 112 ? 65.363 36.634 33.179 1.00 52.96 ? 319 TYR E OH 1 ATOM 4165 N N . LYS E 2 113 ? 58.885 41.769 34.920 1.00 70.67 ? 320 LYS E N 1 ATOM 4166 C CA . LYS E 2 113 ? 57.712 42.521 35.321 1.00 57.55 ? 320 LYS E CA 1 ATOM 4167 C C . LYS E 2 113 ? 56.539 41.591 35.561 1.00 57.51 ? 320 LYS E C 1 ATOM 4168 O O . LYS E 2 113 ? 56.222 40.742 34.725 1.00 62.08 ? 320 LYS E O 1 ATOM 4169 C CB . LYS E 2 113 ? 57.367 43.570 34.260 1.00 54.97 ? 320 LYS E CB 1 ATOM 4170 C CG . LYS E 2 113 ? 56.110 44.379 34.557 1.00 62.85 ? 320 LYS E CG 1 ATOM 4171 C CD . LYS E 2 113 ? 55.755 45.304 33.404 1.00 68.47 ? 320 LYS E CD 1 ATOM 4172 C CE . LYS E 2 113 ? 56.560 46.592 33.445 1.00 69.52 ? 320 LYS E CE 1 ATOM 4173 N NZ . LYS E 2 113 ? 56.144 47.505 32.349 1.00 68.51 ? 320 LYS E NZ 1 ATOM 4174 N N . CYS E 2 114 ? 55.920 41.754 36.725 1.00 54.30 ? 321 CYS E N 1 ATOM 4175 C CA . CYS E 2 114 ? 54.668 41.095 37.061 1.00 56.58 ? 321 CYS E CA 1 ATOM 4176 C C . CYS E 2 114 ? 53.527 42.105 36.914 1.00 69.78 ? 321 CYS E C 1 ATOM 4177 O O . CYS E 2 114 ? 53.597 43.207 37.459 1.00 83.20 ? 321 CYS E O 1 ATOM 4178 C CB . CYS E 2 114 ? 54.716 40.563 38.493 1.00 42.30 ? 321 CYS E CB 1 ATOM 4179 S SG . CYS E 2 114 ? 53.305 39.515 38.892 1.00 60.82 ? 321 CYS E SG 1 ATOM 4180 N N . LYS E 2 115 ? 52.493 41.742 36.161 1.00 71.27 ? 322 LYS E N 1 ATOM 4181 C CA . LYS E 2 115 ? 51.311 42.594 36.025 1.00 61.62 ? 322 LYS E CA 1 ATOM 4182 C C . LYS E 2 115 ? 50.108 41.843 36.570 1.00 66.48 ? 322 LYS E C 1 ATOM 4183 O O . LYS E 2 115 ? 49.738 40.782 36.060 1.00 69.35 ? 322 LYS E O 1 ATOM 4184 C CB . LYS E 2 115 ? 51.098 43.011 34.569 1.00 68.61 ? 322 LYS E CB 1 ATOM 4185 C CG . LYS E 2 115 ? 49.883 43.900 34.322 1.00 75.52 ? 322 LYS E CG 1 ATOM 4186 C CD . LYS E 2 115 ? 49.774 44.260 32.845 1.00 68.99 ? 322 LYS E CD 1 ATOM 4187 C CE . LYS E 2 115 ? 48.323 44.378 32.405 1.00 66.85 ? 322 LYS E CE 1 ATOM 4188 N NZ . LYS E 2 115 ? 48.152 44.145 30.942 1.00 63.00 ? 322 LYS E NZ 1 ATOM 4189 N N . VAL E 2 116 ? 49.515 42.396 37.625 1.00 68.45 ? 323 VAL E N 1 ATOM 4190 C CA . VAL E 2 116 ? 48.420 41.742 38.331 1.00 67.17 ? 323 VAL E CA 1 ATOM 4191 C C . VAL E 2 116 ? 47.090 42.464 38.101 1.00 80.92 ? 323 VAL E C 1 ATOM 4192 O O . VAL E 2 116 ? 46.952 43.645 38.429 1.00 90.04 ? 323 VAL E O 1 ATOM 4193 C CB . VAL E 2 116 ? 48.721 41.644 39.840 1.00 63.59 ? 323 VAL E CB 1 ATOM 4194 C CG1 . VAL E 2 116 ? 47.529 41.090 40.606 1.00 61.17 ? 323 VAL E CG1 1 ATOM 4195 C CG2 . VAL E 2 116 ? 49.946 40.778 40.077 1.00 67.89 ? 323 VAL E CG2 1 ATOM 4196 N N . SER E 2 117 ? 46.123 41.741 37.534 1.00 72.79 ? 324 SER E N 1 ATOM 4197 C CA . SER E 2 117 ? 44.764 42.244 37.332 1.00 62.99 ? 324 SER E CA 1 ATOM 4198 C C . SER E 2 117 ? 43.774 41.549 38.267 1.00 67.18 ? 324 SER E C 1 ATOM 4199 O O . SER E 2 117 ? 43.777 40.321 38.377 1.00 69.19 ? 324 SER E O 1 ATOM 4200 C CB . SER E 2 117 ? 44.325 42.044 35.877 1.00 61.57 ? 324 SER E CB 1 ATOM 4201 O OG . SER E 2 117 ? 45.148 42.766 34.973 1.00 52.65 ? 324 SER E OG 1 ATOM 4202 N N . ASN E 2 118 ? 42.945 42.345 38.946 1.00 79.08 ? 325 ASN E N 1 ATOM 4203 C CA . ASN E 2 118 ? 41.817 41.839 39.749 1.00 82.48 ? 325 ASN E CA 1 ATOM 4204 C C . ASN E 2 118 ? 40.578 42.730 39.606 1.00 85.15 ? 325 ASN E C 1 ATOM 4205 O O . ASN E 2 118 ? 40.695 43.940 39.379 1.00 82.63 ? 325 ASN E O 1 ATOM 4206 C CB . ASN E 2 118 ? 42.206 41.670 41.229 1.00 81.61 ? 325 ASN E CB 1 ATOM 4207 C CG . ASN E 2 118 ? 41.128 40.971 42.054 1.00 80.63 ? 325 ASN E CG 1 ATOM 4208 O OD1 . ASN E 2 118 ? 40.056 41.523 42.300 1.00 85.30 ? 325 ASN E OD1 1 ATOM 4209 N ND2 . ASN E 2 118 ? 41.418 39.755 42.497 1.00 81.26 ? 325 ASN E ND2 1 ATOM 4210 N N . LYS E 2 119 ? 39.401 42.114 39.731 1.00 88.36 ? 326 LYS E N 1 ATOM 4211 C CA . LYS E 2 119 ? 38.113 42.800 39.602 1.00 91.88 ? 326 LYS E CA 1 ATOM 4212 C C . LYS E 2 119 ? 38.058 44.029 40.516 1.00 93.18 ? 326 LYS E C 1 ATOM 4213 O O . LYS E 2 119 ? 38.013 45.164 40.037 1.00 81.78 ? 326 LYS E O 1 ATOM 4214 C CB . LYS E 2 119 ? 36.964 41.834 39.929 1.00 92.35 ? 326 LYS E CB 1 ATOM 4215 C CG . LYS E 2 119 ? 35.684 42.038 39.129 1.00 86.16 ? 326 LYS E CG 1 ATOM 4216 C CD . LYS E 2 119 ? 35.578 41.043 37.980 1.00 69.79 ? 326 LYS E CD 1 ATOM 4217 N N . ALA E 2 120 ? 38.098 43.791 41.827 1.00 97.53 ? 327 ALA E N 1 ATOM 4218 C CA . ALA E 2 120 ? 38.056 44.860 42.826 1.00 92.63 ? 327 ALA E CA 1 ATOM 4219 C C . ALA E 2 120 ? 39.406 45.567 42.948 1.00 83.07 ? 327 ALA E C 1 ATOM 4220 O O . ALA E 2 120 ? 40.018 45.581 44.017 1.00 86.87 ? 327 ALA E O 1 ATOM 4221 C CB . ALA E 2 120 ? 37.608 44.305 44.172 1.00 97.69 ? 327 ALA E CB 1 ATOM 4222 N N . LEU E 2 121 ? 39.858 46.155 41.841 1.00 81.41 ? 328 LEU E N 1 ATOM 4223 C CA . LEU E 2 121 ? 41.169 46.798 41.760 1.00 93.47 ? 328 LEU E CA 1 ATOM 4224 C C . LEU E 2 121 ? 41.158 47.845 40.635 1.00 95.69 ? 328 LEU E C 1 ATOM 4225 O O . LEU E 2 121 ? 40.829 47.517 39.491 1.00 80.26 ? 328 LEU E O 1 ATOM 4226 C CB . LEU E 2 121 ? 42.269 45.745 41.521 1.00 77.38 ? 328 LEU E CB 1 ATOM 4227 C CG . LEU E 2 121 ? 43.695 45.929 42.063 1.00 75.63 ? 328 LEU E CG 1 ATOM 4228 C CD1 . LEU E 2 121 ? 43.751 45.851 43.583 1.00 69.78 ? 328 LEU E CD1 1 ATOM 4229 C CD2 . LEU E 2 121 ? 44.623 44.886 41.460 1.00 67.56 ? 328 LEU E CD2 1 ATOM 4230 N N . PRO E 2 122 ? 41.503 49.109 40.961 1.00 103.56 ? 329 PRO E N 1 ATOM 4231 C CA . PRO E 2 122 ? 41.481 50.235 40.014 1.00 110.95 ? 329 PRO E CA 1 ATOM 4232 C C . PRO E 2 122 ? 42.114 49.917 38.649 1.00 109.03 ? 329 PRO E C 1 ATOM 4233 O O . PRO E 2 122 ? 41.401 49.587 37.695 1.00 90.66 ? 329 PRO E O 1 ATOM 4234 C CB . PRO E 2 122 ? 42.275 51.339 40.750 1.00 124.51 ? 329 PRO E CB 1 ATOM 4235 C CG . PRO E 2 122 ? 42.800 50.720 42.012 1.00 106.57 ? 329 PRO E CG 1 ATOM 4236 C CD . PRO E 2 122 ? 41.914 49.550 42.306 1.00 104.96 ? 329 PRO E CD 1 ATOM 4237 N N . ALA E 2 123 ? 43.437 50.031 38.566 1.00 119.60 ? 330 ALA E N 1 ATOM 4238 C CA . ALA E 2 123 ? 44.200 49.627 37.388 1.00 104.19 ? 330 ALA E CA 1 ATOM 4239 C C . ALA E 2 123 ? 45.156 48.501 37.795 1.00 99.68 ? 330 ALA E C 1 ATOM 4240 O O . ALA E 2 123 ? 45.443 48.342 38.987 1.00 93.13 ? 330 ALA E O 1 ATOM 4241 C CB . ALA E 2 123 ? 44.965 50.815 36.816 1.00 87.44 ? 330 ALA E CB 1 ATOM 4242 N N . PRO E 2 124 ? 45.642 47.704 36.819 1.00 106.85 ? 331 PRO E N 1 ATOM 4243 C CA . PRO E 2 124 ? 46.567 46.626 37.180 1.00 100.76 ? 331 PRO E CA 1 ATOM 4244 C C . PRO E 2 124 ? 47.868 47.139 37.804 1.00 98.37 ? 331 PRO E C 1 ATOM 4245 O O . PRO E 2 124 ? 48.451 48.114 37.317 1.00 92.78 ? 331 PRO E O 1 ATOM 4246 C CB . PRO E 2 124 ? 46.847 45.934 35.839 1.00 105.78 ? 331 PRO E CB 1 ATOM 4247 C CG . PRO E 2 124 ? 45.692 46.295 34.968 1.00 109.48 ? 331 PRO E CG 1 ATOM 4248 C CD . PRO E 2 124 ? 45.323 47.689 35.379 1.00 111.93 ? 331 PRO E CD 1 ATOM 4249 N N . ILE E 2 125 ? 48.295 46.483 38.884 1.00 104.27 ? 332 ILE E N 1 ATOM 4250 C CA . ILE E 2 125 ? 49.543 46.806 39.584 1.00 85.04 ? 332 ILE E CA 1 ATOM 4251 C C . ILE E 2 125 ? 50.731 46.184 38.850 1.00 72.44 ? 332 ILE E C 1 ATOM 4252 O O . ILE E 2 125 ? 50.723 44.991 38.539 1.00 63.22 ? 332 ILE E O 1 ATOM 4253 C CB . ILE E 2 125 ? 49.513 46.321 41.054 1.00 83.09 ? 332 ILE E CB 1 ATOM 4254 C CG1 . ILE E 2 125 ? 48.370 46.997 41.825 1.00 84.45 ? 332 ILE E CG1 1 ATOM 4255 C CG2 . ILE E 2 125 ? 50.848 46.584 41.740 1.00 80.25 ? 332 ILE E CG2 1 ATOM 4256 C CD1 . ILE E 2 125 ? 47.972 46.292 43.108 1.00 83.02 ? 332 ILE E CD1 1 ATOM 4257 N N . GLU E 2 126 ? 51.743 47.004 38.574 1.00 70.30 ? 333 GLU E N 1 ATOM 4258 C CA . GLU E 2 126 ? 52.931 46.563 37.852 1.00 71.56 ? 333 GLU E CA 1 ATOM 4259 C C . GLU E 2 126 ? 54.197 46.733 38.695 1.00 84.91 ? 333 GLU E C 1 ATOM 4260 O O . GLU E 2 126 ? 54.674 47.850 38.899 1.00 95.37 ? 333 GLU E O 1 ATOM 4261 C CB . GLU E 2 126 ? 53.077 47.323 36.530 1.00 66.65 ? 333 GLU E CB 1 ATOM 4262 C CG . GLU E 2 126 ? 51.885 47.205 35.595 1.00 70.83 ? 333 GLU E CG 1 ATOM 4263 C CD . GLU E 2 126 ? 52.197 47.658 34.177 1.00 78.37 ? 333 GLU E CD 1 ATOM 4264 O OE1 . GLU E 2 126 ? 51.816 46.934 33.231 1.00 82.42 ? 333 GLU E OE1 1 ATOM 4265 O OE2 . GLU E 2 126 ? 52.829 48.724 34.000 1.00 70.23 ? 333 GLU E OE2 1 ATOM 4266 N N . LYS E 2 127 ? 54.733 45.615 39.180 1.00 84.15 ? 334 LYS E N 1 ATOM 4267 C CA . LYS E 2 127 ? 55.991 45.606 39.926 1.00 69.84 ? 334 LYS E CA 1 ATOM 4268 C C . LYS E 2 127 ? 57.141 45.038 39.070 1.00 68.68 ? 334 LYS E C 1 ATOM 4269 O O . LYS E 2 127 ? 56.921 44.177 38.216 1.00 62.61 ? 334 LYS E O 1 ATOM 4270 C CB . LYS E 2 127 ? 55.826 44.829 41.238 1.00 54.60 ? 334 LYS E CB 1 ATOM 4271 N N . THR E 2 128 ? 58.358 45.538 39.289 1.00 67.43 ? 335 THR E N 1 ATOM 4272 C CA . THR E 2 128 ? 59.519 45.147 38.487 1.00 57.57 ? 335 THR E CA 1 ATOM 4273 C C . THR E 2 128 ? 60.757 44.905 39.338 1.00 59.21 ? 335 THR E C 1 ATOM 4274 O O . THR E 2 128 ? 61.114 45.735 40.174 1.00 70.02 ? 335 THR E O 1 ATOM 4275 C CB . THR E 2 128 ? 59.849 46.211 37.419 1.00 61.06 ? 335 THR E CB 1 ATOM 4276 O OG1 . THR E 2 128 ? 58.717 46.396 36.560 1.00 70.45 ? 335 THR E OG1 1 ATOM 4277 C CG2 . THR E 2 128 ? 61.049 45.787 36.566 1.00 68.10 ? 335 THR E CG2 1 ATOM 4278 N N . ILE E 2 129 ? 61.404 43.764 39.113 1.00 61.94 ? 336 ILE E N 1 ATOM 4279 C CA . ILE E 2 129 ? 62.684 43.446 39.751 1.00 67.85 ? 336 ILE E CA 1 ATOM 4280 C C . ILE E 2 129 ? 63.749 43.058 38.737 1.00 65.14 ? 336 ILE E C 1 ATOM 4281 O O . ILE E 2 129 ? 63.442 42.713 37.585 1.00 48.36 ? 336 ILE E O 1 ATOM 4282 C CB . ILE E 2 129 ? 62.577 42.319 40.811 1.00 74.27 ? 336 ILE E CB 1 ATOM 4283 C CG1 . ILE E 2 129 ? 61.778 41.126 40.280 1.00 80.42 ? 336 ILE E CG1 1 ATOM 4284 C CG2 . ILE E 2 129 ? 61.937 42.837 42.092 1.00 80.31 ? 336 ILE E CG2 1 ATOM 4285 C CD1 . ILE E 2 129 ? 62.542 40.162 39.406 1.00 90.77 ? 336 ILE E CD1 1 ATOM 4286 N N . SER E 2 130 ? 64.998 43.120 39.195 1.00 63.10 ? 337 SER E N 1 ATOM 4287 C CA . SER E 2 130 ? 66.158 42.678 38.437 1.00 61.34 ? 337 SER E CA 1 ATOM 4288 C C . SER E 2 130 ? 67.378 42.666 39.346 1.00 72.79 ? 337 SER E C 1 ATOM 4289 O O . SER E 2 130 ? 67.347 43.218 40.452 1.00 66.81 ? 337 SER E O 1 ATOM 4290 C CB . SER E 2 130 ? 66.417 43.589 37.239 1.00 55.90 ? 337 SER E CB 1 ATOM 4291 O OG . SER E 2 130 ? 66.718 44.896 37.672 1.00 53.19 ? 337 SER E OG 1 ATOM 4292 N N . LYS E 2 131 ? 68.445 42.026 38.869 1.00 76.95 ? 338 LYS E N 1 ATOM 4293 C CA . LYS E 2 131 ? 69.725 42.010 39.556 1.00 63.02 ? 338 LYS E CA 1 ATOM 4294 C C . LYS E 2 131 ? 70.152 43.437 39.824 1.00 61.94 ? 338 LYS E C 1 ATOM 4295 O O . LYS E 2 131 ? 70.068 44.296 38.935 1.00 60.94 ? 338 LYS E O 1 ATOM 4296 C CB . LYS E 2 131 ? 70.783 41.316 38.701 1.00 58.36 ? 338 LYS E CB 1 ATOM 4297 C CG . LYS E 2 131 ? 71.844 40.559 39.488 1.00 49.08 ? 338 LYS E CG 1 ATOM 4298 C CD . LYS E 2 131 ? 72.974 40.098 38.575 1.00 55.81 ? 338 LYS E CD 1 ATOM 4299 C CE . LYS E 2 131 ? 73.939 41.242 38.286 1.00 55.40 ? 338 LYS E CE 1 ATOM 4300 N NZ . LYS E 2 131 ? 74.636 41.081 36.986 1.00 47.80 ? 338 LYS E NZ 1 ATOM 4301 N N . ALA E 2 132 ? 70.595 43.676 41.057 1.00 61.82 ? 339 ALA E N 1 ATOM 4302 C CA . ALA E 2 132 ? 71.094 44.978 41.486 1.00 69.57 ? 339 ALA E CA 1 ATOM 4303 C C . ALA E 2 132 ? 72.278 45.430 40.626 1.00 78.63 ? 339 ALA E C 1 ATOM 4304 O O . ALA E 2 132 ? 73.188 44.634 40.333 1.00 63.22 ? 339 ALA E O 1 ATOM 4305 C CB . ALA E 2 132 ? 71.482 44.934 42.956 1.00 63.86 ? 339 ALA E CB 1 ATOM 4306 N N . LYS E 2 133 ? 72.242 46.700 40.217 1.00 81.63 ? 340 LYS E N 1 ATOM 4307 C CA . LYS E 2 133 ? 73.278 47.297 39.362 1.00 94.69 ? 340 LYS E CA 1 ATOM 4308 C C . LYS E 2 133 ? 74.521 47.744 40.155 1.00 95.06 ? 340 LYS E C 1 ATOM 4309 O O . LYS E 2 133 ? 74.545 47.667 41.388 1.00 88.83 ? 340 LYS E O 1 ATOM 4310 C CB . LYS E 2 133 ? 72.692 48.462 38.555 1.00 76.34 ? 340 LYS E CB 1 ATOM 4311 N N . GLY E 2 134 ? 75.552 48.195 39.442 1.00 95.38 ? 341 GLY E N 1 ATOM 4312 C CA . GLY E 2 134 ? 76.787 48.669 40.072 1.00 91.11 ? 341 GLY E CA 1 ATOM 4313 C C . GLY E 2 134 ? 77.965 47.733 39.872 1.00 83.45 ? 341 GLY E C 1 ATOM 4314 O O . GLY E 2 134 ? 77.780 46.525 39.705 1.00 76.89 ? 341 GLY E O 1 ATOM 4315 N N . GLN E 2 135 ? 79.174 48.296 39.907 1.00 80.13 ? 342 GLN E N 1 ATOM 4316 C CA . GLN E 2 135 ? 80.412 47.559 39.619 1.00 88.24 ? 342 GLN E CA 1 ATOM 4317 C C . GLN E 2 135 ? 80.648 46.383 40.575 1.00 91.53 ? 342 GLN E C 1 ATOM 4318 O O . GLN E 2 135 ? 80.868 46.591 41.770 1.00 97.67 ? 342 GLN E O 1 ATOM 4319 C CB . GLN E 2 135 ? 81.620 48.504 39.627 1.00 82.36 ? 342 GLN E CB 1 ATOM 4320 N N . PRO E 2 136 ? 80.584 45.142 40.052 1.00 98.29 ? 343 PRO E N 1 ATOM 4321 C CA . PRO E 2 136 ? 80.843 43.968 40.882 1.00 92.72 ? 343 PRO E CA 1 ATOM 4322 C C . PRO E 2 136 ? 82.262 43.948 41.450 1.00 85.06 ? 343 PRO E C 1 ATOM 4323 O O . PRO E 2 136 ? 83.222 44.189 40.718 1.00 82.49 ? 343 PRO E O 1 ATOM 4324 C CB . PRO E 2 136 ? 80.629 42.800 39.907 1.00 82.27 ? 343 PRO E CB 1 ATOM 4325 C CG . PRO E 2 136 ? 79.673 43.336 38.899 1.00 82.23 ? 343 PRO E CG 1 ATOM 4326 C CD . PRO E 2 136 ? 80.127 44.754 38.703 1.00 101.85 ? 343 PRO E CD 1 ATOM 4327 N N . ARG E 2 137 ? 82.370 43.678 42.751 1.00 80.89 ? 344 ARG E N 1 ATOM 4328 C CA . ARG E 2 137 ? 83.654 43.551 43.441 1.00 73.50 ? 344 ARG E CA 1 ATOM 4329 C C . ARG E 2 137 ? 83.846 42.115 43.943 1.00 76.43 ? 344 ARG E C 1 ATOM 4330 O O . ARG E 2 137 ? 82.876 41.439 44.289 1.00 71.16 ? 344 ARG E O 1 ATOM 4331 C CB . ARG E 2 137 ? 83.752 44.559 44.593 1.00 67.07 ? 344 ARG E CB 1 ATOM 4332 N N . GLU E 2 138 ? 85.097 41.661 43.978 1.00 83.90 ? 345 GLU E N 1 ATOM 4333 C CA . GLU E 2 138 ? 85.421 40.255 44.237 1.00 88.34 ? 345 GLU E CA 1 ATOM 4334 C C . GLU E 2 138 ? 85.389 39.856 45.722 1.00 95.94 ? 345 GLU E C 1 ATOM 4335 O O . GLU E 2 138 ? 86.030 40.505 46.552 1.00 98.00 ? 345 GLU E O 1 ATOM 4336 C CB . GLU E 2 138 ? 86.781 39.910 43.619 1.00 90.67 ? 345 GLU E CB 1 ATOM 4337 C CG . GLU E 2 138 ? 87.199 38.456 43.791 1.00 90.36 ? 345 GLU E CG 1 ATOM 4338 C CD . GLU E 2 138 ? 88.393 38.074 42.941 1.00 93.66 ? 345 GLU E CD 1 ATOM 4339 O OE1 . GLU E 2 138 ? 88.388 36.947 42.404 1.00 94.97 ? 345 GLU E OE1 1 ATOM 4340 O OE2 . GLU E 2 138 ? 89.331 38.890 42.806 1.00 101.22 ? 345 GLU E OE2 1 ATOM 4341 N N . PRO E 2 139 ? 84.654 38.771 46.051 1.00 92.45 ? 346 PRO E N 1 ATOM 4342 C CA . PRO E 2 139 ? 84.569 38.251 47.425 1.00 87.41 ? 346 PRO E CA 1 ATOM 4343 C C . PRO E 2 139 ? 85.807 37.469 47.867 1.00 88.44 ? 346 PRO E C 1 ATOM 4344 O O . PRO E 2 139 ? 86.122 36.428 47.284 1.00 81.81 ? 346 PRO E O 1 ATOM 4345 C CB . PRO E 2 139 ? 83.362 37.311 47.371 1.00 87.83 ? 346 PRO E CB 1 ATOM 4346 C CG . PRO E 2 139 ? 83.298 36.865 45.952 1.00 95.01 ? 346 PRO E CG 1 ATOM 4347 C CD . PRO E 2 139 ? 83.789 38.018 45.122 1.00 85.94 ? 346 PRO E CD 1 ATOM 4348 N N . GLN E 2 140 ? 86.492 37.968 48.896 1.00 104.50 ? 347 GLN E N 1 ATOM 4349 C CA . GLN E 2 140 ? 87.604 37.238 49.513 1.00 98.24 ? 347 GLN E CA 1 ATOM 4350 C C . GLN E 2 140 ? 87.123 36.339 50.650 1.00 91.27 ? 347 GLN E C 1 ATOM 4351 O O . GLN E 2 140 ? 86.268 36.723 51.456 1.00 83.76 ? 347 GLN E O 1 ATOM 4352 C CB . GLN E 2 140 ? 88.699 38.190 49.987 1.00 91.00 ? 347 GLN E CB 1 ATOM 4353 C CG . GLN E 2 140 ? 89.637 38.628 48.874 1.00 96.03 ? 347 GLN E CG 1 ATOM 4354 C CD . GLN E 2 140 ? 90.335 39.942 49.171 1.00 105.91 ? 347 GLN E CD 1 ATOM 4355 O OE1 . GLN E 2 140 ? 89.937 40.689 50.070 1.00 107.64 ? 347 GLN E OE1 1 ATOM 4356 N NE2 . GLN E 2 140 ? 91.379 40.237 48.408 1.00 102.92 ? 347 GLN E NE2 1 ATOM 4357 N N . VAL E 2 141 ? 87.685 35.135 50.689 1.00 87.08 ? 348 VAL E N 1 ATOM 4358 C CA . VAL E 2 141 ? 87.222 34.065 51.563 1.00 84.11 ? 348 VAL E CA 1 ATOM 4359 C C . VAL E 2 141 ? 88.325 33.670 52.535 1.00 109.48 ? 348 VAL E C 1 ATOM 4360 O O . VAL E 2 141 ? 89.462 33.401 52.130 1.00 116.29 ? 348 VAL E O 1 ATOM 4361 C CB . VAL E 2 141 ? 86.817 32.824 50.741 1.00 84.74 ? 348 VAL E CB 1 ATOM 4362 C CG1 . VAL E 2 141 ? 86.300 31.712 51.644 1.00 79.43 ? 348 VAL E CG1 1 ATOM 4363 C CG2 . VAL E 2 141 ? 85.782 33.192 49.685 1.00 96.91 ? 348 VAL E CG2 1 ATOM 4364 N N . TYR E 2 142 ? 87.975 33.629 53.817 1.00 118.01 ? 349 TYR E N 1 ATOM 4365 C CA . TYR E 2 142 ? 88.913 33.260 54.866 1.00 97.44 ? 349 TYR E CA 1 ATOM 4366 C C . TYR E 2 142 ? 88.325 32.158 55.748 1.00 98.79 ? 349 TYR E C 1 ATOM 4367 O O . TYR E 2 142 ? 87.216 32.303 56.270 1.00 104.41 ? 349 TYR E O 1 ATOM 4368 C CB . TYR E 2 142 ? 89.254 34.481 55.721 1.00 79.43 ? 349 TYR E CB 1 ATOM 4369 C CG . TYR E 2 142 ? 89.702 35.721 54.963 1.00 77.28 ? 349 TYR E CG 1 ATOM 4370 C CD1 . TYR E 2 142 ? 90.831 35.701 54.131 1.00 79.34 ? 349 TYR E CD1 1 ATOM 4371 C CD2 . TYR E 2 142 ? 89.019 36.930 55.115 1.00 77.33 ? 349 TYR E CD2 1 ATOM 4372 C CE1 . TYR E 2 142 ? 91.247 36.847 53.456 1.00 81.43 ? 349 TYR E CE1 1 ATOM 4373 C CE2 . TYR E 2 142 ? 89.426 38.080 54.449 1.00 81.80 ? 349 TYR E CE2 1 ATOM 4374 C CZ . TYR E 2 142 ? 90.539 38.039 53.622 1.00 86.42 ? 349 TYR E CZ 1 ATOM 4375 O OH . TYR E 2 142 ? 90.935 39.189 52.965 1.00 70.94 ? 349 TYR E OH 1 ATOM 4376 N N . THR E 2 143 ? 89.067 31.061 55.904 1.00 90.66 ? 350 THR E N 1 ATOM 4377 C CA . THR E 2 143 ? 88.643 29.951 56.766 1.00 89.53 ? 350 THR E CA 1 ATOM 4378 C C . THR E 2 143 ? 89.290 30.032 58.145 1.00 91.65 ? 350 THR E C 1 ATOM 4379 O O . THR E 2 143 ? 88.729 30.618 59.070 1.00 94.36 ? 350 THR E O 1 ATOM 4380 C CB . THR E 2 143 ? 88.958 28.572 56.147 1.00 91.37 ? 350 THR E CB 1 ATOM 4381 O OG1 . THR E 2 143 ? 90.348 28.496 55.800 1.00 76.23 ? 350 THR E OG1 1 ATOM 4382 C CG2 . THR E 2 143 ? 88.107 28.328 54.905 1.00 109.15 ? 350 THR E CG2 1 ATOM 4383 N N . CYS E 2 160 ? 83.474 30.244 58.044 1.00 88.51 ? 367 CYS E N 1 ATOM 4384 C CA . CYS E 2 160 ? 83.857 30.870 56.783 1.00 91.89 ? 367 CYS E CA 1 ATOM 4385 C C . CYS E 2 160 ? 83.529 32.358 56.796 1.00 83.23 ? 367 CYS E C 1 ATOM 4386 O O . CYS E 2 160 ? 82.393 32.747 57.065 1.00 80.87 ? 367 CYS E O 1 ATOM 4387 C CB . CYS E 2 160 ? 83.153 30.189 55.603 1.00 95.33 ? 367 CYS E CB 1 ATOM 4388 S SG . CYS E 2 160 ? 83.968 30.406 53.999 1.00 90.51 ? 367 CYS E SG 1 ATOM 4389 N N . LEU E 2 161 ? 84.532 33.184 56.514 1.00 85.74 ? 368 LEU E N 1 ATOM 4390 C CA . LEU E 2 161 ? 84.339 34.631 56.439 1.00 97.27 ? 368 LEU E CA 1 ATOM 4391 C C . LEU E 2 161 ? 84.479 35.124 54.994 1.00 118.56 ? 368 LEU E C 1 ATOM 4392 O O . LEU E 2 161 ? 85.591 35.290 54.478 1.00 129.35 ? 368 LEU E O 1 ATOM 4393 C CB . LEU E 2 161 ? 85.300 35.360 57.394 1.00 72.12 ? 368 LEU E CB 1 ATOM 4394 C CG . LEU E 2 161 ? 85.485 36.884 57.385 1.00 71.35 ? 368 LEU E CG 1 ATOM 4395 C CD1 . LEU E 2 161 ? 84.175 37.666 57.376 1.00 65.80 ? 368 LEU E CD1 1 ATOM 4396 C CD2 . LEU E 2 161 ? 86.346 37.297 58.572 1.00 72.33 ? 368 LEU E CD2 1 ATOM 4397 N N . VAL E 2 162 ? 83.333 35.332 54.348 1.00 114.48 ? 369 VAL E N 1 ATOM 4398 C CA . VAL E 2 162 ? 83.283 35.840 52.979 1.00 93.89 ? 369 VAL E CA 1 ATOM 4399 C C . VAL E 2 162 ? 83.117 37.350 53.051 1.00 83.04 ? 369 VAL E C 1 ATOM 4400 O O . VAL E 2 162 ? 82.136 37.847 53.616 1.00 79.65 ? 369 VAL E O 1 ATOM 4401 C CB . VAL E 2 162 ? 82.123 35.216 52.167 1.00 81.60 ? 369 VAL E CB 1 ATOM 4402 C CG1 . VAL E 2 162 ? 82.186 35.671 50.715 1.00 82.59 ? 369 VAL E CG1 1 ATOM 4403 C CG2 . VAL E 2 162 ? 82.160 33.695 52.245 1.00 67.14 ? 369 VAL E CG2 1 ATOM 4404 N N . LYS E 2 163 ? 84.079 38.072 52.483 1.00 72.43 ? 370 LYS E N 1 ATOM 4405 C CA . LYS E 2 163 ? 84.120 39.527 52.621 1.00 82.85 ? 370 LYS E CA 1 ATOM 4406 C C . LYS E 2 163 ? 84.498 40.232 51.330 1.00 87.66 ? 370 LYS E C 1 ATOM 4407 O O . LYS E 2 163 ? 85.359 39.759 50.573 1.00 72.38 ? 370 LYS E O 1 ATOM 4408 C CB . LYS E 2 163 ? 85.101 39.934 53.731 1.00 85.79 ? 370 LYS E CB 1 ATOM 4409 N N . GLY E 2 164 ? 83.843 41.369 51.097 1.00 83.18 ? 371 GLY E N 1 ATOM 4410 C CA . GLY E 2 164 ? 84.185 42.274 50.003 1.00 75.52 ? 371 GLY E CA 1 ATOM 4411 C C . GLY E 2 164 ? 83.465 42.043 48.689 1.00 92.41 ? 371 GLY E C 1 ATOM 4412 O O . GLY E 2 164 ? 84.012 42.347 47.623 1.00 91.05 ? 371 GLY E O 1 ATOM 4413 N N . PHE E 2 165 ? 82.240 41.518 48.749 1.00 93.06 ? 372 PHE E N 1 ATOM 4414 C CA . PHE E 2 165 ? 81.477 41.265 47.525 1.00 75.00 ? 372 PHE E CA 1 ATOM 4415 C C . PHE E 2 165 ? 80.369 42.273 47.224 1.00 77.77 ? 372 PHE E C 1 ATOM 4416 O O . PHE E 2 165 ? 79.727 42.803 48.133 1.00 80.90 ? 372 PHE E O 1 ATOM 4417 C CB . PHE E 2 165 ? 80.956 39.822 47.451 1.00 63.08 ? 372 PHE E CB 1 ATOM 4418 C CG . PHE E 2 165 ? 79.937 39.467 48.494 1.00 64.71 ? 372 PHE E CG 1 ATOM 4419 C CD1 . PHE E 2 165 ? 80.313 38.779 49.641 1.00 68.81 ? 372 PHE E CD1 1 ATOM 4420 C CD2 . PHE E 2 165 ? 78.590 39.769 48.308 1.00 73.14 ? 372 PHE E CD2 1 ATOM 4421 C CE1 . PHE E 2 165 ? 79.371 38.426 50.597 1.00 68.34 ? 372 PHE E CE1 1 ATOM 4422 C CE2 . PHE E 2 165 ? 77.641 39.420 49.259 1.00 70.15 ? 372 PHE E CE2 1 ATOM 4423 C CZ . PHE E 2 165 ? 78.034 38.749 50.407 1.00 70.84 ? 372 PHE E CZ 1 ATOM 4424 N N . TYR E 2 166 ? 80.188 42.538 45.930 1.00 84.07 ? 373 TYR E N 1 ATOM 4425 C CA . TYR E 2 166 ? 79.025 43.243 45.404 1.00 89.64 ? 373 TYR E CA 1 ATOM 4426 C C . TYR E 2 166 ? 78.587 42.567 44.096 1.00 86.29 ? 373 TYR E C 1 ATOM 4427 O O . TYR E 2 166 ? 79.435 42.245 43.265 1.00 78.42 ? 373 TYR E O 1 ATOM 4428 C CB . TYR E 2 166 ? 79.336 44.725 45.166 1.00 84.56 ? 373 TYR E CB 1 ATOM 4429 C CG . TYR E 2 166 ? 78.092 45.574 45.019 1.00 95.44 ? 373 TYR E CG 1 ATOM 4430 C CD1 . TYR E 2 166 ? 77.399 45.632 43.806 1.00 99.65 ? 373 TYR E CD1 1 ATOM 4431 C CD2 . TYR E 2 166 ? 77.597 46.307 46.096 1.00 101.73 ? 373 TYR E CD2 1 ATOM 4432 C CE1 . TYR E 2 166 ? 76.250 46.396 43.675 1.00 103.51 ? 373 TYR E CE1 1 ATOM 4433 C CE2 . TYR E 2 166 ? 76.450 47.078 45.973 1.00 97.55 ? 373 TYR E CE2 1 ATOM 4434 C CZ . TYR E 2 166 ? 75.782 47.118 44.762 1.00 106.18 ? 373 TYR E CZ 1 ATOM 4435 O OH . TYR E 2 166 ? 74.647 47.882 44.638 1.00 107.51 ? 373 TYR E OH 1 ATOM 4436 N N . PRO E 2 167 ? 77.270 42.323 43.917 1.00 92.49 ? 374 PRO E N 1 ATOM 4437 C CA . PRO E 2 167 ? 76.164 42.538 44.865 1.00 87.36 ? 374 PRO E CA 1 ATOM 4438 C C . PRO E 2 167 ? 75.938 41.395 45.865 1.00 76.32 ? 374 PRO E C 1 ATOM 4439 O O . PRO E 2 167 ? 76.737 40.460 45.942 1.00 72.26 ? 374 PRO E O 1 ATOM 4440 C CB . PRO E 2 167 ? 74.948 42.701 43.946 1.00 82.65 ? 374 PRO E CB 1 ATOM 4441 C CG . PRO E 2 167 ? 75.281 41.899 42.738 1.00 79.31 ? 374 PRO E CG 1 ATOM 4442 C CD . PRO E 2 167 ? 76.774 41.977 42.570 1.00 81.74 ? 374 PRO E CD 1 ATOM 4443 N N . SER E 2 168 ? 74.835 41.488 46.606 1.00 76.19 ? 375 SER E N 1 ATOM 4444 C CA . SER E 2 168 ? 74.529 40.597 47.723 1.00 64.87 ? 375 SER E CA 1 ATOM 4445 C C . SER E 2 168 ? 74.184 39.169 47.307 1.00 62.42 ? 375 SER E C 1 ATOM 4446 O O . SER E 2 168 ? 74.217 38.251 48.134 1.00 64.52 ? 375 SER E O 1 ATOM 4447 C CB . SER E 2 168 ? 73.395 41.191 48.571 1.00 69.09 ? 375 SER E CB 1 ATOM 4448 O OG . SER E 2 168 ? 72.139 41.097 47.911 1.00 65.28 ? 375 SER E OG 1 ATOM 4449 N N . ASP E 2 169 ? 73.833 38.978 46.039 1.00 73.17 ? 376 ASP E N 1 ATOM 4450 C CA . ASP E 2 169 ? 73.571 37.635 45.528 1.00 78.55 ? 376 ASP E CA 1 ATOM 4451 C C . ASP E 2 169 ? 74.824 36.778 45.722 1.00 71.06 ? 376 ASP E C 1 ATOM 4452 O O . ASP E 2 169 ? 75.852 37.021 45.089 1.00 65.60 ? 376 ASP E O 1 ATOM 4453 C CB . ASP E 2 169 ? 73.174 37.660 44.045 1.00 82.26 ? 376 ASP E CB 1 ATOM 4454 C CG . ASP E 2 169 ? 72.000 38.577 43.760 1.00 88.71 ? 376 ASP E CG 1 ATOM 4455 O OD1 . ASP E 2 169 ? 72.218 39.801 43.648 1.00 86.94 ? 376 ASP E OD1 1 ATOM 4456 O OD2 . ASP E 2 169 ? 70.865 38.070 43.619 1.00 97.46 ? 376 ASP E OD2 1 ATOM 4457 N N . ILE E 2 170 ? 74.741 35.796 46.617 1.00 65.14 ? 377 ILE E N 1 ATOM 4458 C CA . ILE E 2 170 ? 75.860 34.883 46.865 1.00 61.69 ? 377 ILE E CA 1 ATOM 4459 C C . ILE E 2 170 ? 75.386 33.522 47.381 1.00 63.36 ? 377 ILE E C 1 ATOM 4460 O O . ILE E 2 170 ? 74.262 33.390 47.873 1.00 74.63 ? 377 ILE E O 1 ATOM 4461 C CB . ILE E 2 170 ? 76.900 35.514 47.824 1.00 70.66 ? 377 ILE E CB 1 ATOM 4462 C CG1 . ILE E 2 170 ? 78.224 34.731 47.792 1.00 66.35 ? 377 ILE E CG1 1 ATOM 4463 C CG2 . ILE E 2 170 ? 76.318 35.693 49.230 1.00 65.13 ? 377 ILE E CG2 1 ATOM 4464 C CD1 . ILE E 2 170 ? 79.445 35.568 48.118 1.00 66.13 ? 377 ILE E CD1 1 ATOM 4465 N N . ALA E 2 171 ? 76.242 32.513 47.251 1.00 60.25 ? 378 ALA E N 1 ATOM 4466 C CA . ALA E 2 171 ? 75.951 31.183 47.771 1.00 66.04 ? 378 ALA E CA 1 ATOM 4467 C C . ALA E 2 171 ? 77.187 30.603 48.459 1.00 72.03 ? 378 ALA E C 1 ATOM 4468 O O . ALA E 2 171 ? 78.313 30.804 47.994 1.00 73.52 ? 378 ALA E O 1 ATOM 4469 C CB . ALA E 2 171 ? 75.472 30.270 46.651 1.00 72.42 ? 378 ALA E CB 1 ATOM 4470 N N . VAL E 2 172 ? 76.966 29.901 49.572 1.00 66.06 ? 379 VAL E N 1 ATOM 4471 C CA . VAL E 2 172 ? 78.042 29.299 50.360 1.00 66.84 ? 379 VAL E CA 1 ATOM 4472 C C . VAL E 2 172 ? 77.679 27.870 50.757 1.00 78.10 ? 379 VAL E C 1 ATOM 4473 O O . VAL E 2 172 ? 76.659 27.643 51.418 1.00 80.96 ? 379 VAL E O 1 ATOM 4474 C CB . VAL E 2 172 ? 78.339 30.099 51.649 1.00 76.44 ? 379 VAL E CB 1 ATOM 4475 C CG1 . VAL E 2 172 ? 79.602 29.578 52.319 1.00 70.05 ? 379 VAL E CG1 1 ATOM 4476 C CG2 . VAL E 2 172 ? 78.471 31.588 51.359 1.00 76.62 ? 379 VAL E CG2 1 ATOM 4477 N N . GLU E 2 173 ? 78.525 26.920 50.360 1.00 82.37 ? 380 GLU E N 1 ATOM 4478 C CA . GLU E 2 173 ? 78.339 25.501 50.683 1.00 86.77 ? 380 GLU E CA 1 ATOM 4479 C C . GLU E 2 173 ? 79.539 24.934 51.457 1.00 92.17 ? 380 GLU E C 1 ATOM 4480 O O . GLU E 2 173 ? 80.597 25.573 51.527 1.00 72.33 ? 380 GLU E O 1 ATOM 4481 C CB . GLU E 2 173 ? 78.095 24.689 49.401 1.00 78.81 ? 380 GLU E CB 1 ATOM 4482 N N . TRP E 2 174 ? 79.356 23.750 52.051 1.00 97.16 ? 381 TRP E N 1 ATOM 4483 C CA . TRP E 2 174 ? 80.441 22.998 52.698 1.00 98.26 ? 381 TRP E CA 1 ATOM 4484 C C . TRP E 2 174 ? 80.527 21.610 52.122 1.00 99.46 ? 381 TRP E C 1 ATOM 4485 O O . TRP E 2 174 ? 81.581 20.968 52.150 1.00 93.91 ? 381 TRP E O 1 ATOM 4486 C CB . TRP E 2 174 ? 80.248 22.915 54.214 1.00 99.23 ? 381 TRP E CB 1 ATOM 4487 C CG . TRP E 2 174 ? 80.393 24.227 54.967 1.00 105.57 ? 381 TRP E CG 1 ATOM 4488 C CD1 . TRP E 2 174 ? 79.376 25.106 55.346 1.00 96.05 ? 381 TRP E CD1 1 ATOM 4489 C CD2 . TRP E 2 174 ? 81.633 24.842 55.486 1.00 101.02 ? 381 TRP E CD2 1 ATOM 4490 N NE1 . TRP E 2 174 ? 79.883 26.187 56.027 1.00 83.67 ? 381 TRP E NE1 1 ATOM 4491 C CE2 . TRP E 2 174 ? 81.225 26.096 56.147 1.00 91.56 ? 381 TRP E CE2 1 ATOM 4492 C CE3 . TRP E 2 174 ? 82.984 24.500 55.464 1.00 96.46 ? 381 TRP E CE3 1 ATOM 4493 C CZ2 . TRP E 2 174 ? 82.145 26.945 56.752 1.00 78.94 ? 381 TRP E CZ2 1 ATOM 4494 C CZ3 . TRP E 2 174 ? 83.904 25.368 56.076 1.00 81.44 ? 381 TRP E CZ3 1 ATOM 4495 C CH2 . TRP E 2 174 ? 83.492 26.560 56.701 1.00 82.80 ? 381 TRP E CH2 1 ATOM 4496 N N . TYR E 2 184 ? 74.945 22.954 58.553 1.00 86.84 ? 391 TYR E N 1 ATOM 4497 C CA . TYR E 2 184 ? 75.539 24.287 58.623 1.00 91.38 ? 391 TYR E CA 1 ATOM 4498 C C . TYR E 2 184 ? 74.487 25.398 58.488 1.00 86.94 ? 391 TYR E C 1 ATOM 4499 O O . TYR E 2 184 ? 73.351 25.148 58.063 1.00 80.13 ? 391 TYR E O 1 ATOM 4500 C CB . TYR E 2 184 ? 76.617 24.440 57.542 1.00 94.99 ? 391 TYR E CB 1 ATOM 4501 C CG . TYR E 2 184 ? 76.070 24.531 56.131 1.00 108.00 ? 391 TYR E CG 1 ATOM 4502 C CD1 . TYR E 2 184 ? 76.002 25.757 55.465 1.00 110.19 ? 391 TYR E CD1 1 ATOM 4503 C CD2 . TYR E 2 184 ? 75.614 23.393 55.463 1.00 112.03 ? 391 TYR E CD2 1 ATOM 4504 C CE1 . TYR E 2 184 ? 75.499 25.846 54.174 1.00 109.60 ? 391 TYR E CE1 1 ATOM 4505 C CE2 . TYR E 2 184 ? 75.107 23.473 54.174 1.00 114.67 ? 391 TYR E CE2 1 ATOM 4506 C CZ . TYR E 2 184 ? 75.051 24.699 53.534 1.00 107.72 ? 391 TYR E CZ 1 ATOM 4507 O OH . TYR E 2 184 ? 74.550 24.774 52.255 1.00 91.09 ? 391 TYR E OH 1 ATOM 4508 N N . ASP E 2 185 ? 74.875 26.619 58.852 1.00 69.97 ? 392 ASP E N 1 ATOM 4509 C CA . ASP E 2 185 ? 74.020 27.798 58.675 1.00 82.54 ? 392 ASP E CA 1 ATOM 4510 C C . ASP E 2 185 ? 74.827 29.053 58.296 1.00 85.57 ? 392 ASP E C 1 ATOM 4511 O O . ASP E 2 185 ? 75.958 29.240 58.756 1.00 78.38 ? 392 ASP E O 1 ATOM 4512 C CB . ASP E 2 185 ? 73.148 28.048 59.916 1.00 78.41 ? 392 ASP E CB 1 ATOM 4513 C CG . ASP E 2 185 ? 71.892 27.189 59.936 1.00 65.35 ? 392 ASP E CG 1 ATOM 4514 N N . THR E 2 186 ? 74.232 29.894 57.445 1.00 95.17 ? 393 THR E N 1 ATOM 4515 C CA . THR E 2 186 ? 74.871 31.109 56.921 1.00 95.38 ? 393 THR E CA 1 ATOM 4516 C C . THR E 2 186 ? 74.019 32.341 57.251 1.00 95.13 ? 393 THR E C 1 ATOM 4517 O O . THR E 2 186 ? 72.786 32.264 57.295 1.00 107.82 ? 393 THR E O 1 ATOM 4518 C CB . THR E 2 186 ? 75.106 31.022 55.384 1.00 92.61 ? 393 THR E CB 1 ATOM 4519 O OG1 . THR E 2 186 ? 75.879 29.857 55.066 1.00 93.41 ? 393 THR E OG1 1 ATOM 4520 C CG2 . THR E 2 186 ? 75.851 32.249 54.855 1.00 92.63 ? 393 THR E CG2 1 ATOM 4521 N N . THR E 2 187 ? 74.687 33.468 57.487 1.00 82.07 ? 394 THR E N 1 ATOM 4522 C CA . THR E 2 187 ? 74.016 34.739 57.753 1.00 80.97 ? 394 THR E CA 1 ATOM 4523 C C . THR E 2 187 ? 73.687 35.459 56.439 1.00 90.64 ? 394 THR E C 1 ATOM 4524 O O . THR E 2 187 ? 74.436 35.337 55.469 1.00 97.52 ? 394 THR E O 1 ATOM 4525 C CB . THR E 2 187 ? 74.893 35.664 58.625 1.00 77.19 ? 394 THR E CB 1 ATOM 4526 O OG1 . THR E 2 187 ? 75.839 36.355 57.801 1.00 83.63 ? 394 THR E OG1 1 ATOM 4527 C CG2 . THR E 2 187 ? 75.645 34.864 59.697 1.00 78.50 ? 394 THR E CG2 1 ATOM 4528 N N . PRO E 2 188 ? 72.562 36.204 56.397 1.00 97.83 ? 395 PRO E N 1 ATOM 4529 C CA . PRO E 2 188 ? 72.290 37.075 55.249 1.00 105.24 ? 395 PRO E CA 1 ATOM 4530 C C . PRO E 2 188 ? 73.330 38.194 55.118 1.00 107.50 ? 395 PRO E C 1 ATOM 4531 O O . PRO E 2 188 ? 73.770 38.733 56.138 1.00 124.16 ? 395 PRO E O 1 ATOM 4532 C CB . PRO E 2 188 ? 70.905 37.667 55.565 1.00 97.97 ? 395 PRO E CB 1 ATOM 4533 C CG . PRO E 2 188 ? 70.693 37.432 57.022 1.00 96.76 ? 395 PRO E CG 1 ATOM 4534 C CD . PRO E 2 188 ? 71.416 36.154 57.321 1.00 106.10 ? 395 PRO E CD 1 ATOM 4535 N N . PRO E 2 189 ? 73.726 38.536 53.871 1.00 99.06 ? 396 PRO E N 1 ATOM 4536 C CA . PRO E 2 189 ? 74.738 39.569 53.624 1.00 98.18 ? 396 PRO E CA 1 ATOM 4537 C C . PRO E 2 189 ? 74.380 40.908 54.269 1.00 94.70 ? 396 PRO E C 1 ATOM 4538 O O . PRO E 2 189 ? 73.214 41.311 54.244 1.00 83.07 ? 396 PRO E O 1 ATOM 4539 C CB . PRO E 2 189 ? 74.753 39.697 52.090 1.00 96.12 ? 396 PRO E CB 1 ATOM 4540 C CG . PRO E 2 189 ? 73.483 39.068 51.624 1.00 93.31 ? 396 PRO E CG 1 ATOM 4541 C CD . PRO E 2 189 ? 73.212 37.973 52.609 1.00 98.13 ? 396 PRO E CD 1 ATOM 4542 N N . VAL E 2 190 ? 75.378 41.575 54.847 1.00 102.00 ? 397 VAL E N 1 ATOM 4543 C CA . VAL E 2 190 ? 75.177 42.855 55.541 1.00 107.80 ? 397 VAL E CA 1 ATOM 4544 C C . VAL E 2 190 ? 76.022 43.968 54.905 1.00 96.94 ? 397 VAL E C 1 ATOM 4545 O O . VAL E 2 190 ? 77.226 43.799 54.691 1.00 79.54 ? 397 VAL E O 1 ATOM 4546 C CB . VAL E 2 190 ? 75.448 42.727 57.064 1.00 106.40 ? 397 VAL E CB 1 ATOM 4547 C CG1 . VAL E 2 190 ? 75.421 44.088 57.752 1.00 100.59 ? 397 VAL E CG1 1 ATOM 4548 C CG2 . VAL E 2 190 ? 74.436 41.786 57.707 1.00 84.51 ? 397 VAL E CG2 1 ATOM 4549 N N . LEU E 2 191 ? 75.371 45.097 54.612 1.00 85.62 ? 398 LEU E N 1 ATOM 4550 C CA . LEU E 2 191 ? 75.972 46.210 53.868 1.00 88.35 ? 398 LEU E CA 1 ATOM 4551 C C . LEU E 2 191 ? 76.929 47.052 54.708 1.00 88.83 ? 398 LEU E C 1 ATOM 4552 O O . LEU E 2 191 ? 76.487 47.838 55.553 1.00 92.35 ? 398 LEU E O 1 ATOM 4553 C CB . LEU E 2 191 ? 74.878 47.111 53.267 1.00 76.89 ? 398 LEU E CB 1 ATOM 4554 N N . ASP E 2 192 ? 78.232 46.883 54.464 1.00 80.79 ? 399 ASP E N 1 ATOM 4555 C CA . ASP E 2 192 ? 79.276 47.727 55.069 1.00 80.48 ? 399 ASP E CA 1 ATOM 4556 C C . ASP E 2 192 ? 79.182 49.178 54.584 1.00 100.39 ? 399 ASP E C 1 ATOM 4557 O O . ASP E 2 192 ? 78.626 49.453 53.515 1.00 102.64 ? 399 ASP E O 1 ATOM 4558 C CB . ASP E 2 192 ? 80.674 47.189 54.744 1.00 65.78 ? 399 ASP E CB 1 ATOM 4559 C CG . ASP E 2 192 ? 81.040 45.971 55.556 1.00 76.09 ? 399 ASP E CG 1 ATOM 4560 O OD1 . ASP E 2 192 ? 80.953 46.028 56.803 1.00 60.84 ? 399 ASP E OD1 1 ATOM 4561 O OD2 . ASP E 2 192 ? 81.439 44.959 54.939 1.00 74.46 ? 399 ASP E OD2 1 ATOM 4562 N N . SER E 2 193 ? 79.740 50.097 55.370 1.00 121.71 ? 400 SER E N 1 ATOM 4563 C CA . SER E 2 193 ? 79.729 51.517 55.026 1.00 126.51 ? 400 SER E CA 1 ATOM 4564 C C . SER E 2 193 ? 80.715 51.854 53.902 1.00 137.08 ? 400 SER E C 1 ATOM 4565 O O . SER E 2 193 ? 80.682 52.963 53.363 1.00 136.92 ? 400 SER E O 1 ATOM 4566 C CB . SER E 2 193 ? 79.997 52.379 56.265 1.00 133.74 ? 400 SER E CB 1 ATOM 4567 O OG . SER E 2 193 ? 81.207 52.004 56.904 1.00 145.25 ? 400 SER E OG 1 ATOM 4568 N N . ASP E 2 194 ? 81.582 50.899 53.553 1.00 154.57 ? 401 ASP E N 1 ATOM 4569 C CA . ASP E 2 194 ? 82.516 51.068 52.428 1.00 148.78 ? 401 ASP E CA 1 ATOM 4570 C C . ASP E 2 194 ? 81.982 50.529 51.087 1.00 137.96 ? 401 ASP E C 1 ATOM 4571 O O . ASP E 2 194 ? 82.693 50.550 50.078 1.00 120.68 ? 401 ASP E O 1 ATOM 4572 C CB . ASP E 2 194 ? 83.918 50.511 52.753 1.00 131.52 ? 401 ASP E CB 1 ATOM 4573 C CG . ASP E 2 194 ? 83.917 49.018 53.026 1.00 120.88 ? 401 ASP E CG 1 ATOM 4574 O OD1 . ASP E 2 194 ? 83.461 48.611 54.117 1.00 128.87 ? 401 ASP E OD1 1 ATOM 4575 O OD2 . ASP E 2 194 ? 84.399 48.255 52.160 1.00 84.52 ? 401 ASP E OD2 1 ATOM 4576 N N . GLY E 2 195 ? 80.735 50.050 51.088 1.00 127.66 ? 402 GLY E N 1 ATOM 4577 C CA . GLY E 2 195 ? 80.027 49.675 49.857 1.00 100.76 ? 402 GLY E CA 1 ATOM 4578 C C . GLY E 2 195 ? 79.680 48.203 49.708 1.00 98.86 ? 402 GLY E C 1 ATOM 4579 O O . GLY E 2 195 ? 78.565 47.857 49.306 1.00 76.59 ? 402 GLY E O 1 ATOM 4580 N N . SER E 2 196 ? 80.641 47.342 50.039 1.00 94.82 ? 403 SER E N 1 ATOM 4581 C CA . SER E 2 196 ? 80.537 45.895 49.843 1.00 86.12 ? 403 SER E CA 1 ATOM 4582 C C . SER E 2 196 ? 79.594 45.203 50.827 1.00 97.66 ? 403 SER E C 1 ATOM 4583 O O . SER E 2 196 ? 78.972 45.852 51.672 1.00 112.40 ? 403 SER E O 1 ATOM 4584 C CB . SER E 2 196 ? 81.924 45.272 49.971 1.00 86.06 ? 403 SER E CB 1 ATOM 4585 O OG . SER E 2 196 ? 82.440 45.499 51.269 1.00 78.06 ? 403 SER E OG 1 ATOM 4586 N N . PHE E 2 197 ? 79.497 43.879 50.702 1.00 85.32 ? 404 PHE E N 1 ATOM 4587 C CA . PHE E 2 197 ? 78.747 43.046 51.642 1.00 81.54 ? 404 PHE E CA 1 ATOM 4588 C C . PHE E 2 197 ? 79.679 42.014 52.263 1.00 81.44 ? 404 PHE E C 1 ATOM 4589 O O . PHE E 2 197 ? 80.753 41.737 51.722 1.00 78.47 ? 404 PHE E O 1 ATOM 4590 C CB . PHE E 2 197 ? 77.577 42.334 50.948 1.00 69.79 ? 404 PHE E CB 1 ATOM 4591 C CG . PHE E 2 197 ? 76.464 43.250 50.517 1.00 77.74 ? 404 PHE E CG 1 ATOM 4592 C CD1 . PHE E 2 197 ? 76.493 43.868 49.268 1.00 86.16 ? 404 PHE E CD1 1 ATOM 4593 C CD2 . PHE E 2 197 ? 75.373 43.481 51.348 1.00 81.85 ? 404 PHE E CD2 1 ATOM 4594 C CE1 . PHE E 2 197 ? 75.464 44.711 48.866 1.00 94.24 ? 404 PHE E CE1 1 ATOM 4595 C CE2 . PHE E 2 197 ? 74.340 44.321 50.951 1.00 91.97 ? 404 PHE E CE2 1 ATOM 4596 C CZ . PHE E 2 197 ? 74.385 44.938 49.709 1.00 96.93 ? 404 PHE E CZ 1 ATOM 4597 N N . PHE E 2 198 ? 79.262 41.454 53.399 1.00 86.15 ? 405 PHE E N 1 ATOM 4598 C CA . PHE E 2 198 ? 79.994 40.370 54.065 1.00 84.55 ? 405 PHE E CA 1 ATOM 4599 C C . PHE E 2 198 ? 79.021 39.341 54.647 1.00 79.49 ? 405 PHE E C 1 ATOM 4600 O O . PHE E 2 198 ? 77.844 39.647 54.867 1.00 75.96 ? 405 PHE E O 1 ATOM 4601 C CB . PHE E 2 198 ? 80.940 40.921 55.151 1.00 91.65 ? 405 PHE E CB 1 ATOM 4602 C CG . PHE E 2 198 ? 80.232 41.473 56.366 1.00 100.82 ? 405 PHE E CG 1 ATOM 4603 C CD1 . PHE E 2 198 ? 80.167 40.734 57.546 1.00 104.69 ? 405 PHE E CD1 1 ATOM 4604 C CD2 . PHE E 2 198 ? 79.635 42.730 56.336 1.00 102.47 ? 405 PHE E CD2 1 ATOM 4605 C CE1 . PHE E 2 198 ? 79.515 41.237 58.663 1.00 98.78 ? 405 PHE E CE1 1 ATOM 4606 C CE2 . PHE E 2 198 ? 78.983 43.238 57.450 1.00 99.30 ? 405 PHE E CE2 1 ATOM 4607 C CZ . PHE E 2 198 ? 78.922 42.490 58.615 1.00 97.77 ? 405 PHE E CZ 1 ATOM 4608 N N . LEU E 2 199 ? 79.516 38.126 54.886 1.00 76.06 ? 406 LEU E N 1 ATOM 4609 C CA . LEU E 2 199 ? 78.716 37.052 55.484 1.00 85.29 ? 406 LEU E CA 1 ATOM 4610 C C . LEU E 2 199 ? 79.596 36.105 56.301 1.00 80.75 ? 406 LEU E C 1 ATOM 4611 O O . LEU E 2 199 ? 80.824 36.144 56.186 1.00 80.61 ? 406 LEU E O 1 ATOM 4612 C CB . LEU E 2 199 ? 77.959 36.269 54.399 1.00 85.26 ? 406 LEU E CB 1 ATOM 4613 N N . TYR E 2 200 ? 78.968 35.257 57.116 1.00 76.14 ? 407 TYR E N 1 ATOM 4614 C CA . TYR E 2 200 ? 79.699 34.260 57.903 1.00 84.25 ? 407 TYR E CA 1 ATOM 4615 C C . TYR E 2 200 ? 79.231 32.822 57.664 1.00 72.73 ? 407 TYR E C 1 ATOM 4616 O O . TYR E 2 200 ? 78.050 32.511 57.798 1.00 77.99 ? 407 TYR E O 1 ATOM 4617 C CB . TYR E 2 200 ? 79.656 34.605 59.396 1.00 95.98 ? 407 TYR E CB 1 ATOM 4618 C CG . TYR E 2 200 ? 80.688 35.633 59.825 1.00 105.22 ? 407 TYR E CG 1 ATOM 4619 C CD1 . TYR E 2 200 ? 80.351 36.986 59.942 1.00 108.10 ? 407 TYR E CD1 1 ATOM 4620 C CD2 . TYR E 2 200 ? 82.003 35.253 60.115 1.00 102.26 ? 407 TYR E CD2 1 ATOM 4621 C CE1 . TYR E 2 200 ? 81.291 37.929 60.335 1.00 96.74 ? 407 TYR E CE1 1 ATOM 4622 C CE2 . TYR E 2 200 ? 82.950 36.187 60.510 1.00 101.27 ? 407 TYR E CE2 1 ATOM 4623 C CZ . TYR E 2 200 ? 82.589 37.522 60.617 1.00 95.54 ? 407 TYR E CZ 1 ATOM 4624 O OH . TYR E 2 200 ? 83.528 38.447 61.007 1.00 77.18 ? 407 TYR E OH 1 ATOM 4625 N N . SER E 2 217 ? 85.580 21.533 52.610 1.00 92.50 ? 424 SER E N 1 ATOM 4626 C CA . SER E 2 217 ? 85.742 22.882 53.148 1.00 109.92 ? 424 SER E CA 1 ATOM 4627 C C . SER E 2 217 ? 84.683 23.857 52.610 1.00 107.99 ? 424 SER E C 1 ATOM 4628 O O . SER E 2 217 ? 83.637 23.430 52.113 1.00 93.69 ? 424 SER E O 1 ATOM 4629 C CB . SER E 2 217 ? 87.163 23.400 52.887 1.00 117.23 ? 424 SER E CB 1 ATOM 4630 O OG . SER E 2 217 ? 87.453 23.445 51.501 1.00 110.23 ? 424 SER E OG 1 ATOM 4631 N N . CYS E 2 218 ? 84.961 25.157 52.726 1.00 108.30 ? 425 CYS E N 1 ATOM 4632 C CA . CYS E 2 218 ? 84.022 26.221 52.356 1.00 105.66 ? 425 CYS E CA 1 ATOM 4633 C C . CYS E 2 218 ? 84.060 26.563 50.857 1.00 100.03 ? 425 CYS E C 1 ATOM 4634 O O . CYS E 2 218 ? 85.101 26.970 50.334 1.00 99.26 ? 425 CYS E O 1 ATOM 4635 C CB . CYS E 2 218 ? 84.298 27.478 53.199 1.00 100.98 ? 425 CYS E CB 1 ATOM 4636 S SG . CYS E 2 218 ? 83.223 28.894 52.857 1.00 122.38 ? 425 CYS E SG 1 ATOM 4637 N N . SER E 2 219 ? 82.920 26.398 50.180 1.00 87.09 ? 426 SER E N 1 ATOM 4638 C CA . SER E 2 219 ? 82.777 26.761 48.762 1.00 80.33 ? 426 SER E CA 1 ATOM 4639 C C . SER E 2 219 ? 81.908 27.997 48.553 1.00 78.74 ? 426 SER E C 1 ATOM 4640 O O . SER E 2 219 ? 80.829 28.111 49.141 1.00 92.42 ? 426 SER E O 1 ATOM 4641 C CB . SER E 2 219 ? 82.206 25.596 47.960 1.00 72.32 ? 426 SER E CB 1 ATOM 4642 O OG . SER E 2 219 ? 83.243 24.885 47.318 1.00 87.40 ? 426 SER E OG 1 ATOM 4643 N N . VAL E 2 220 ? 82.378 28.914 47.709 1.00 70.96 ? 427 VAL E N 1 ATOM 4644 C CA . VAL E 2 220 ? 81.663 30.169 47.456 1.00 69.29 ? 427 VAL E CA 1 ATOM 4645 C C . VAL E 2 220 ? 81.432 30.444 45.961 1.00 74.95 ? 427 VAL E C 1 ATOM 4646 O O . VAL E 2 220 ? 82.382 30.506 45.173 1.00 60.68 ? 427 VAL E O 1 ATOM 4647 C CB . VAL E 2 220 ? 82.379 31.376 48.100 1.00 74.60 ? 427 VAL E CB 1 ATOM 4648 C CG1 . VAL E 2 220 ? 81.480 32.604 48.074 1.00 68.70 ? 427 VAL E CG1 1 ATOM 4649 C CG2 . VAL E 2 220 ? 82.799 31.060 49.531 1.00 85.71 ? 427 VAL E CG2 1 ATOM 4650 N N . MET E 2 221 ? 80.158 30.613 45.596 1.00 84.94 ? 428 MET E N 1 ATOM 4651 C CA . MET E 2 221 ? 79.741 30.998 44.240 1.00 69.69 ? 428 MET E CA 1 ATOM 4652 C C . MET E 2 221 ? 79.291 32.462 44.191 1.00 65.18 ? 428 MET E C 1 ATOM 4653 O O . MET E 2 221 ? 78.443 32.884 44.987 1.00 64.75 ? 428 MET E O 1 ATOM 4654 C CB . MET E 2 221 ? 78.602 30.098 43.759 1.00 68.63 ? 428 MET E CB 1 ATOM 4655 C CG . MET E 2 221 ? 79.022 28.697 43.357 1.00 69.47 ? 428 MET E CG 1 ATOM 4656 S SD . MET E 2 221 ? 77.683 27.531 43.659 1.00 92.68 ? 428 MET E SD 1 ATOM 4657 C CE . MET E 2 221 ? 78.151 26.196 42.559 1.00 83.38 ? 428 MET E CE 1 ATOM 4658 N N . HIS E 2 222 ? 79.857 33.221 43.250 1.00 50.11 ? 429 HIS E N 1 ATOM 4659 C CA . HIS E 2 222 ? 79.579 34.655 43.104 1.00 53.91 ? 429 HIS E CA 1 ATOM 4660 C C . HIS E 2 222 ? 80.077 35.100 41.759 1.00 63.32 ? 429 HIS E C 1 ATOM 4661 O O . HIS E 2 222 ? 81.070 34.575 41.261 1.00 65.65 ? 429 HIS E O 1 ATOM 4662 C CB . HIS E 2 222 ? 80.259 35.455 44.224 1.00 47.12 ? 429 HIS E CB 1 ATOM 4663 C CG . HIS E 2 222 ? 79.871 36.924 44.273 1.00 44.86 ? 429 HIS E CG 1 ATOM 4664 N ND1 . HIS E 2 222 ? 80.492 37.866 43.532 1.00 49.81 ? 429 HIS E ND1 1 ATOM 4665 C CD2 . HIS E 2 222 ? 78.908 37.597 45.035 1.00 42.84 ? 429 HIS E CD2 1 ATOM 4666 C CE1 . HIS E 2 222 ? 79.949 39.078 43.789 1.00 46.53 ? 429 HIS E CE1 1 ATOM 4667 N NE2 . HIS E 2 222 ? 78.980 38.912 44.710 1.00 48.97 ? 429 HIS E NE2 1 ATOM 4668 N N . GLU E 2 223 ? 79.406 36.081 41.161 1.00 71.29 ? 430 GLU E N 1 ATOM 4669 C CA . GLU E 2 223 ? 79.713 36.492 39.786 1.00 76.01 ? 430 GLU E CA 1 ATOM 4670 C C . GLU E 2 223 ? 81.081 37.152 39.596 1.00 83.86 ? 430 GLU E C 1 ATOM 4671 O O . GLU E 2 223 ? 81.622 37.146 38.489 1.00 103.61 ? 430 GLU E O 1 ATOM 4672 C CB . GLU E 2 223 ? 78.601 37.375 39.210 1.00 75.27 ? 430 GLU E CB 1 ATOM 4673 C CG . GLU E 2 223 ? 78.545 38.787 39.767 1.00 78.34 ? 430 GLU E CG 1 ATOM 4674 C CD . GLU E 2 223 ? 77.388 39.581 39.209 1.00 79.26 ? 430 GLU E CD 1 ATOM 4675 O OE1 . GLU E 2 223 ? 76.244 39.082 39.266 1.00 78.18 ? 430 GLU E OE1 1 ATOM 4676 O OE2 . GLU E 2 223 ? 77.624 40.706 38.721 1.00 94.47 ? 430 GLU E OE2 1 ATOM 4677 N N . ALA E 2 224 ? 81.632 37.721 40.668 1.00 79.47 ? 431 ALA E N 1 ATOM 4678 C CA . ALA E 2 224 ? 82.893 38.463 40.586 1.00 67.59 ? 431 ALA E CA 1 ATOM 4679 C C . ALA E 2 224 ? 84.112 37.549 40.603 1.00 69.24 ? 431 ALA E C 1 ATOM 4680 O O . ALA E 2 224 ? 85.219 37.974 40.275 1.00 85.79 ? 431 ALA E O 1 ATOM 4681 C CB . ALA E 2 224 ? 82.981 39.493 41.693 1.00 67.27 ? 431 ALA E CB 1 ATOM 4682 N N . LEU E 2 225 ? 83.900 36.298 40.993 1.00 70.36 ? 432 LEU E N 1 ATOM 4683 C CA . LEU E 2 225 ? 84.929 35.273 40.904 1.00 73.81 ? 432 LEU E CA 1 ATOM 4684 C C . LEU E 2 225 ? 85.020 34.741 39.476 1.00 75.86 ? 432 LEU E C 1 ATOM 4685 O O . LEU E 2 225 ? 84.002 34.575 38.799 1.00 66.27 ? 432 LEU E O 1 ATOM 4686 C CB . LEU E 2 225 ? 84.613 34.119 41.858 1.00 78.43 ? 432 LEU E CB 1 ATOM 4687 C CG . LEU E 2 225 ? 84.524 34.425 43.355 1.00 75.64 ? 432 LEU E CG 1 ATOM 4688 C CD1 . LEU E 2 225 ? 83.724 33.347 44.073 1.00 69.34 ? 432 LEU E CD1 1 ATOM 4689 C CD2 . LEU E 2 225 ? 85.912 34.572 43.959 1.00 69.29 ? 432 LEU E CD2 1 ATOM 4690 N N . HIS E 2 226 ? 86.244 34.486 39.021 1.00 74.87 ? 433 HIS E N 1 ATOM 4691 C CA . HIS E 2 226 ? 86.462 33.809 37.752 1.00 62.69 ? 433 HIS E CA 1 ATOM 4692 C C . HIS E 2 226 ? 85.806 32.454 37.810 1.00 61.52 ? 433 HIS E C 1 ATOM 4693 O O . HIS E 2 226 ? 85.975 31.717 38.786 1.00 60.61 ? 433 HIS E O 1 ATOM 4694 C CB . HIS E 2 226 ? 87.954 33.689 37.438 1.00 63.41 ? 433 HIS E CB 1 ATOM 4695 C CG . HIS E 2 226 ? 88.239 32.974 36.138 1.00 81.17 ? 433 HIS E CG 1 ATOM 4696 N ND1 . HIS E 2 226 ? 88.117 33.578 34.936 1.00 83.59 ? 433 HIS E ND1 1 ATOM 4697 C CD2 . HIS E 2 226 ? 88.610 31.654 35.880 1.00 72.22 ? 433 HIS E CD2 1 ATOM 4698 C CE1 . HIS E 2 226 ? 88.405 32.695 33.960 1.00 80.55 ? 433 HIS E CE1 1 ATOM 4699 N NE2 . HIS E 2 226 ? 88.708 31.517 34.539 1.00 87.05 ? 433 HIS E NE2 1 ATOM 4700 N N . ASN E 2 227 ? 85.040 32.127 36.768 1.00 66.06 ? 434 ASN E N 1 ATOM 4701 C CA . ASN E 2 227 ? 84.203 30.911 36.731 1.00 76.58 ? 434 ASN E CA 1 ATOM 4702 C C . ASN E 2 227 ? 83.194 30.826 37.895 1.00 71.74 ? 434 ASN E C 1 ATOM 4703 O O . ASN E 2 227 ? 82.622 29.759 38.168 1.00 58.05 ? 434 ASN E O 1 ATOM 4704 C CB . ASN E 2 227 ? 85.060 29.631 36.626 1.00 77.32 ? 434 ASN E CB 1 ATOM 4705 C CG . ASN E 2 227 ? 85.699 29.450 35.250 1.00 79.95 ? 434 ASN E CG 1 ATOM 4706 O OD1 . ASN E 2 227 ? 85.895 30.413 34.500 1.00 76.57 ? 434 ASN E OD1 1 ATOM 4707 N ND2 . ASN E 2 227 ? 86.040 28.204 34.918 1.00 59.30 ? 434 ASN E ND2 1 ATOM 4708 N N . ALA E 2 228 ? 82.990 31.965 38.565 1.00 66.18 ? 435 ALA E N 1 ATOM 4709 C CA . ALA E 2 228 ? 82.020 32.117 39.660 1.00 69.74 ? 435 ALA E CA 1 ATOM 4710 C C . ALA E 2 228 ? 82.177 31.094 40.803 1.00 66.42 ? 435 ALA E C 1 ATOM 4711 O O . ALA E 2 228 ? 81.188 30.578 41.322 1.00 63.74 ? 435 ALA E O 1 ATOM 4712 C CB . ALA E 2 228 ? 80.592 32.132 39.108 1.00 51.88 ? 435 ALA E CB 1 ATOM 4713 N N . TYR E 2 229 ? 83.424 30.825 41.193 1.00 72.84 ? 436 TYR E N 1 ATOM 4714 C CA . TYR E 2 229 ? 83.750 29.769 42.161 1.00 83.51 ? 436 TYR E CA 1 ATOM 4715 C C . TYR E 2 229 ? 85.143 29.987 42.754 1.00 95.07 ? 436 TYR E C 1 ATOM 4716 O O . TYR E 2 229 ? 86.018 30.559 42.092 1.00 99.78 ? 436 TYR E O 1 ATOM 4717 C CB . TYR E 2 229 ? 83.711 28.415 41.458 1.00 85.05 ? 436 TYR E CB 1 ATOM 4718 C CG . TYR E 2 229 ? 83.571 27.193 42.344 1.00 84.80 ? 436 TYR E CG 1 ATOM 4719 C CD1 . TYR E 2 229 ? 84.694 26.492 42.789 1.00 75.74 ? 436 TYR E CD1 1 ATOM 4720 C CD2 . TYR E 2 229 ? 82.309 26.707 42.696 1.00 93.34 ? 436 TYR E CD2 1 ATOM 4721 C CE1 . TYR E 2 229 ? 84.565 25.357 43.578 1.00 79.67 ? 436 TYR E CE1 1 ATOM 4722 C CE2 . TYR E 2 229 ? 82.168 25.574 43.485 1.00 91.18 ? 436 TYR E CE2 1 ATOM 4723 C CZ . TYR E 2 229 ? 83.296 24.901 43.923 1.00 88.97 ? 436 TYR E CZ 1 ATOM 4724 O OH . TYR E 2 229 ? 83.150 23.773 44.704 1.00 70.15 ? 436 TYR E OH 1 ATOM 4725 N N . THR E 2 230 ? 85.344 29.528 43.993 1.00 97.92 ? 437 THR E N 1 ATOM 4726 C CA . THR E 2 230 ? 86.667 29.560 44.641 1.00 92.97 ? 437 THR E CA 1 ATOM 4727 C C . THR E 2 230 ? 86.809 28.630 45.860 1.00 79.14 ? 437 THR E C 1 ATOM 4728 O O . THR E 2 230 ? 85.823 28.205 46.466 1.00 69.98 ? 437 THR E O 1 ATOM 4729 C CB . THR E 2 230 ? 87.093 31.000 45.014 1.00 90.88 ? 437 THR E CB 1 ATOM 4730 O OG1 . THR E 2 230 ? 88.505 31.037 45.248 1.00 85.67 ? 437 THR E OG1 1 ATOM 4731 C CG2 . THR E 2 230 ? 86.345 31.500 46.249 1.00 97.63 ? 437 THR E CG2 1 HETATM 4732 C C1 . NAG F 4 . ? 13.006 6.136 -6.497 1.00 48.46 ? 501 NAG A C1 1 HETATM 4733 C C2 . NAG F 4 . ? 13.075 7.646 -6.290 1.00 46.88 ? 501 NAG A C2 1 HETATM 4734 C C3 . NAG F 4 . ? 14.506 8.076 -5.983 1.00 49.73 ? 501 NAG A C3 1 HETATM 4735 C C4 . NAG F 4 . ? 15.100 7.268 -4.832 1.00 52.13 ? 501 NAG A C4 1 HETATM 4736 C C5 . NAG F 4 . ? 14.854 5.772 -4.992 1.00 48.10 ? 501 NAG A C5 1 HETATM 4737 C C6 . NAG F 4 . ? 15.263 5.169 -3.655 1.00 44.90 ? 501 NAG A C6 1 HETATM 4738 C C7 . NAG F 4 . ? 11.442 9.022 -7.461 1.00 55.95 ? 501 NAG A C7 1 HETATM 4739 C C8 . NAG F 4 . ? 11.084 9.737 -8.731 1.00 48.88 ? 501 NAG A C8 1 HETATM 4740 N N2 . NAG F 4 . ? 12.604 8.369 -7.454 1.00 56.31 ? 501 NAG A N2 1 HETATM 4741 O O3 . NAG F 4 . ? 14.567 9.448 -5.653 1.00 43.86 ? 501 NAG A O3 1 HETATM 4742 O O4 . NAG F 4 . ? 16.502 7.436 -4.774 1.00 51.23 ? 501 NAG A O4 1 HETATM 4743 O O5 . NAG F 4 . ? 13.509 5.472 -5.339 1.00 50.22 ? 501 NAG A O5 1 HETATM 4744 O O6 . NAG F 4 . ? 14.528 4.020 -3.356 1.00 53.38 ? 501 NAG A O6 1 HETATM 4745 O O7 . NAG F 4 . ? 10.677 9.039 -6.498 1.00 57.24 ? 501 NAG A O7 1 HETATM 4746 C C1 . NAG G 4 . ? 16.846 8.437 -3.816 1.00 42.19 ? 502 NAG A C1 1 HETATM 4747 C C2 . NAG G 4 . ? 18.179 8.060 -3.172 1.00 39.13 ? 502 NAG A C2 1 HETATM 4748 C C3 . NAG G 4 . ? 18.654 9.170 -2.243 1.00 35.83 ? 502 NAG A C3 1 HETATM 4749 C C4 . NAG G 4 . ? 18.654 10.536 -2.947 1.00 44.21 ? 502 NAG A C4 1 HETATM 4750 C C5 . NAG G 4 . ? 17.295 10.764 -3.643 1.00 48.12 ? 502 NAG A C5 1 HETATM 4751 C C6 . NAG G 4 . ? 17.257 12.014 -4.514 1.00 53.90 ? 502 NAG A C6 1 HETATM 4752 C C7 . NAG G 4 . ? 18.744 5.690 -2.729 1.00 32.16 ? 502 NAG A C7 1 HETATM 4753 C C8 . NAG G 4 . ? 18.489 4.508 -1.835 1.00 27.75 ? 502 NAG A C8 1 HETATM 4754 N N2 . NAG G 4 . ? 18.079 6.814 -2.435 1.00 33.76 ? 502 NAG A N2 1 HETATM 4755 O O3 . NAG G 4 . ? 19.942 8.821 -1.799 1.00 28.70 ? 502 NAG A O3 1 HETATM 4756 O O4 . NAG G 4 . ? 18.845 11.577 -2.003 1.00 58.46 ? 502 NAG A O4 1 HETATM 4757 O O5 . NAG G 4 . ? 16.924 9.684 -4.479 1.00 41.10 ? 502 NAG A O5 1 HETATM 4758 O O6 . NAG G 4 . ? 15.907 12.318 -4.795 1.00 52.03 ? 502 NAG A O6 1 HETATM 4759 O O7 . NAG G 4 . ? 19.530 5.571 -3.670 1.00 32.51 ? 502 NAG A O7 1 HETATM 4760 C C1 . BMA H 5 . ? 20.224 11.934 -1.735 1.00 52.67 ? 503 BMA A C1 1 HETATM 4761 C C2 . BMA H 5 . ? 20.259 13.391 -1.278 1.00 47.90 ? 503 BMA A C2 1 HETATM 4762 C C3 . BMA H 5 . ? 21.660 13.803 -0.816 1.00 52.46 ? 503 BMA A C3 1 HETATM 4763 C C4 . BMA H 5 . ? 22.184 12.844 0.241 1.00 47.32 ? 503 BMA A C4 1 HETATM 4764 C C5 . BMA H 5 . ? 22.151 11.412 -0.290 1.00 52.95 ? 503 BMA A C5 1 HETATM 4765 C C6 . BMA H 5 . ? 22.572 10.412 0.788 1.00 48.64 ? 503 BMA A C6 1 HETATM 4766 O O2 . BMA H 5 . ? 19.342 13.611 -0.200 1.00 40.62 ? 503 BMA A O2 1 HETATM 4767 O O3 . BMA H 5 . ? 21.658 15.151 -0.310 1.00 49.41 ? 503 BMA A O3 1 HETATM 4768 O O4 . BMA H 5 . ? 23.526 13.220 0.545 1.00 54.20 ? 503 BMA A O4 1 HETATM 4769 O O5 . BMA H 5 . ? 20.839 11.072 -0.757 1.00 50.34 ? 503 BMA A O5 1 HETATM 4770 O O6 . BMA H 5 . ? 22.246 9.095 0.341 1.00 45.01 ? 503 BMA A O6 1 HETATM 4771 C C1 . MAN I 6 . ? 22.842 8.119 1.214 1.00 46.56 ? 504 MAN A C1 1 HETATM 4772 C C2 . MAN I 6 . ? 22.984 6.762 0.499 1.00 41.03 ? 504 MAN A C2 1 HETATM 4773 C C3 . MAN I 6 . ? 21.591 6.163 0.320 1.00 44.48 ? 504 MAN A C3 1 HETATM 4774 C C4 . MAN I 6 . ? 20.897 6.028 1.682 1.00 43.68 ? 504 MAN A C4 1 HETATM 4775 C C5 . MAN I 6 . ? 20.866 7.363 2.426 1.00 47.42 ? 504 MAN A C5 1 HETATM 4776 C C6 . MAN I 6 . ? 20.428 7.143 3.870 1.00 39.77 ? 504 MAN A C6 1 HETATM 4777 O O2 . MAN I 6 . ? 23.693 5.805 1.266 1.00 49.10 ? 504 MAN A O2 1 HETATM 4778 O O3 . MAN I 6 . ? 21.693 4.901 -0.298 1.00 47.02 ? 504 MAN A O3 1 HETATM 4779 O O4 . MAN I 6 . ? 19.580 5.549 1.535 1.00 40.14 ? 504 MAN A O4 1 HETATM 4780 O O5 . MAN I 6 . ? 22.136 8.022 2.442 1.00 52.17 ? 504 MAN A O5 1 HETATM 4781 O O6 . MAN I 6 . ? 20.405 8.411 4.494 1.00 42.50 ? 504 MAN A O6 1 HETATM 4782 C C1 . NAG J 4 . ? 25.133 5.850 1.207 1.00 49.36 ? 505 NAG A C1 1 HETATM 4783 C C2 . NAG J 4 . ? 25.644 5.249 2.511 1.00 42.05 ? 505 NAG A C2 1 HETATM 4784 C C3 . NAG J 4 . ? 27.171 5.088 2.518 1.00 40.90 ? 505 NAG A C3 1 HETATM 4785 C C4 . NAG J 4 . ? 27.737 4.500 1.221 1.00 39.74 ? 505 NAG A C4 1 HETATM 4786 C C5 . NAG J 4 . ? 27.091 5.254 0.053 1.00 41.32 ? 505 NAG A C5 1 HETATM 4787 C C6 . NAG J 4 . ? 27.485 4.748 -1.321 1.00 38.40 ? 505 NAG A C6 1 HETATM 4788 C C7 . NAG J 4 . ? 24.251 5.777 4.477 1.00 45.97 ? 505 NAG A C7 1 HETATM 4789 C C8 . NAG J 4 . ? 23.890 6.838 5.478 1.00 48.31 ? 505 NAG A C8 1 HETATM 4790 N N2 . NAG J 4 . ? 25.171 6.122 3.572 1.00 45.21 ? 505 NAG A N2 1 HETATM 4791 O O3 . NAG J 4 . ? 27.559 4.246 3.573 1.00 46.99 ? 505 NAG A O3 1 HETATM 4792 O O4 . NAG J 4 . ? 29.159 4.603 1.292 1.00 49.30 ? 505 NAG A O4 1 HETATM 4793 O O5 . NAG J 4 . ? 25.689 5.114 0.140 1.00 52.25 ? 505 NAG A O5 1 HETATM 4794 O O6 . NAG J 4 . ? 27.194 3.380 -1.400 1.00 35.19 ? 505 NAG A O6 1 HETATM 4795 O O7 . NAG J 4 . ? 23.712 4.669 4.532 1.00 44.02 ? 505 NAG A O7 1 HETATM 4796 C C1 . GAL K 7 . ? 29.907 3.610 0.521 1.00 56.84 ? 506 GAL A C1 1 HETATM 4797 C C2 . GAL K 7 . ? 31.434 3.842 0.571 1.00 57.24 ? 506 GAL A C2 1 HETATM 4798 C C3 . GAL K 7 . ? 32.197 2.535 0.354 1.00 54.84 ? 506 GAL A C3 1 HETATM 4799 C C4 . GAL K 7 . ? 31.774 1.456 1.343 1.00 59.98 ? 506 GAL A C4 1 HETATM 4800 C C5 . GAL K 7 . ? 30.264 1.183 1.236 1.00 65.56 ? 506 GAL A C5 1 HETATM 4801 C C6 . GAL K 7 . ? 29.637 0.705 2.555 1.00 69.42 ? 506 GAL A C6 1 HETATM 4802 O O2 . GAL K 7 . ? 31.832 4.763 -0.441 1.00 40.17 ? 506 GAL A O2 1 HETATM 4803 O O3 . GAL K 7 . ? 33.579 2.767 0.433 1.00 47.07 ? 506 GAL A O3 1 HETATM 4804 O O4 . GAL K 7 . ? 32.150 1.817 2.658 1.00 65.13 ? 506 GAL A O4 1 HETATM 4805 O O5 . GAL K 7 . ? 29.475 2.250 0.686 1.00 58.73 ? 506 GAL A O5 1 HETATM 4806 O O6 . GAL K 7 . ? 28.689 -0.312 2.299 1.00 53.74 ? 506 GAL A O6 1 HETATM 4807 C C1 . MAN L 6 . ? 22.347 16.020 -1.244 1.00 58.15 ? 507 MAN A C1 1 HETATM 4808 C C2 . MAN L 6 . ? 22.649 17.367 -0.595 1.00 64.75 ? 507 MAN A C2 1 HETATM 4809 C C3 . MAN L 6 . ? 21.322 18.005 -0.201 1.00 70.44 ? 507 MAN A C3 1 HETATM 4810 C C4 . MAN L 6 . ? 20.396 18.145 -1.414 1.00 79.58 ? 507 MAN A C4 1 HETATM 4811 C C5 . MAN L 6 . ? 20.342 16.846 -2.243 1.00 78.85 ? 507 MAN A C5 1 HETATM 4812 C C6 . MAN L 6 . ? 19.676 17.010 -3.609 1.00 84.77 ? 507 MAN A C6 1 HETATM 4813 O O2 . MAN L 6 . ? 23.338 18.200 -1.513 1.00 59.70 ? 507 MAN A O2 1 HETATM 4814 O O3 . MAN L 6 . ? 21.552 19.253 0.411 1.00 71.00 ? 507 MAN A O3 1 HETATM 4815 O O4 . MAN L 6 . ? 19.105 18.459 -0.944 1.00 73.71 ? 507 MAN A O4 1 HETATM 4816 O O5 . MAN L 6 . ? 21.630 16.268 -2.440 1.00 60.83 ? 507 MAN A O5 1 HETATM 4817 O O6 . MAN L 6 . ? 18.731 15.976 -3.795 1.00 83.02 ? 507 MAN A O6 1 HETATM 4818 C C1 . FUC M 8 . ? 13.778 4.295 -2.173 1.00 62.61 ? 508 FUC A C1 1 HETATM 4819 C C2 . FUC M 8 . ? 12.780 3.160 -1.963 1.00 80.37 ? 508 FUC A C2 1 HETATM 4820 C C3 . FUC M 8 . ? 11.896 3.454 -0.760 1.00 86.05 ? 508 FUC A C3 1 HETATM 4821 C C4 . FUC M 8 . ? 12.713 3.943 0.457 1.00 85.45 ? 508 FUC A C4 1 HETATM 4822 C C5 . FUC M 8 . ? 13.837 4.942 0.119 1.00 73.29 ? 508 FUC A C5 1 HETATM 4823 C C6 . FUC M 8 . ? 13.341 6.389 -0.024 1.00 65.65 ? 508 FUC A C6 1 HETATM 4824 O O2 . FUC M 8 . ? 13.451 1.930 -1.802 1.00 93.19 ? 508 FUC A O2 1 HETATM 4825 O O3 . FUC M 8 . ? 10.958 4.412 -1.184 1.00 75.00 ? 508 FUC A O3 1 HETATM 4826 O O4 . FUC M 8 . ? 11.868 4.466 1.460 1.00 93.37 ? 508 FUC A O4 1 HETATM 4827 O O5 . FUC M 8 . ? 14.576 4.513 -1.023 1.00 57.08 ? 508 FUC A O5 1 HETATM 4828 C C1 . NAG N 4 . ? 11.000 26.108 -1.108 1.00 34.33 ? 501 NAG B C1 1 HETATM 4829 C C2 . NAG N 4 . ? 11.107 24.584 -1.085 1.00 28.63 ? 501 NAG B C2 1 HETATM 4830 C C3 . NAG N 4 . ? 10.746 24.051 0.289 1.00 25.78 ? 501 NAG B C3 1 HETATM 4831 C C4 . NAG N 4 . ? 11.574 24.714 1.393 1.00 29.47 ? 501 NAG B C4 1 HETATM 4832 C C5 . NAG N 4 . ? 11.389 26.236 1.265 1.00 36.04 ? 501 NAG B C5 1 HETATM 4833 C C6 . NAG N 4 . ? 12.133 27.090 2.295 1.00 39.38 ? 501 NAG B C6 1 HETATM 4834 C C7 . NAG N 4 . ? 10.640 23.650 -3.275 1.00 36.56 ? 501 NAG B C7 1 HETATM 4835 C C8 . NAG N 4 . ? 9.625 23.063 -4.201 1.00 31.53 ? 501 NAG B C8 1 HETATM 4836 N N2 . NAG N 4 . ? 10.227 23.997 -2.069 1.00 35.85 ? 501 NAG B N2 1 HETATM 4837 O O3 . NAG N 4 . ? 10.878 22.643 0.288 1.00 23.06 ? 501 NAG B O3 1 HETATM 4838 O O4 . NAG N 4 . ? 11.098 24.301 2.664 1.00 33.08 ? 501 NAG B O4 1 HETATM 4839 O O5 . NAG N 4 . ? 11.756 26.666 -0.036 1.00 42.56 ? 501 NAG B O5 1 HETATM 4840 O O6 . NAG N 4 . ? 13.445 26.594 2.504 1.00 59.37 ? 501 NAG B O6 1 HETATM 4841 O O7 . NAG N 4 . ? 11.796 23.805 -3.639 1.00 52.22 ? 501 NAG B O7 1 HETATM 4842 C C1 . NAG O 4 . ? 11.759 23.133 3.185 1.00 32.41 ? 502 NAG B C1 1 HETATM 4843 C C2 . NAG O 4 . ? 11.761 23.235 4.704 1.00 31.35 ? 502 NAG B C2 1 HETATM 4844 C C3 . NAG O 4 . ? 12.435 22.002 5.286 1.00 32.59 ? 502 NAG B C3 1 HETATM 4845 C C4 . NAG O 4 . ? 11.751 20.718 4.820 1.00 35.37 ? 502 NAG B C4 1 HETATM 4846 C C5 . NAG O 4 . ? 11.717 20.727 3.288 1.00 31.51 ? 502 NAG B C5 1 HETATM 4847 C C6 . NAG O 4 . ? 10.902 19.562 2.767 1.00 32.11 ? 502 NAG B C6 1 HETATM 4848 C C7 . NAG O 4 . ? 11.926 25.485 5.702 1.00 44.73 ? 502 NAG B C7 1 HETATM 4849 C C8 . NAG O 4 . ? 12.820 26.665 5.997 1.00 26.81 ? 502 NAG B C8 1 HETATM 4850 N N2 . NAG O 4 . ? 12.474 24.442 5.070 1.00 40.85 ? 502 NAG B N2 1 HETATM 4851 O O3 . NAG O 4 . ? 12.423 22.053 6.690 1.00 37.51 ? 502 NAG B O3 1 HETATM 4852 O O4 . NAG O 4 . ? 12.483 19.571 5.222 1.00 40.42 ? 502 NAG B O4 1 HETATM 4853 O O5 . NAG O 4 . ? 11.174 21.918 2.734 1.00 29.05 ? 502 NAG B O5 1 HETATM 4854 O O6 . NAG O 4 . ? 11.204 19.455 1.399 1.00 37.23 ? 502 NAG B O6 1 HETATM 4855 O O7 . NAG O 4 . ? 10.747 25.509 6.046 1.00 49.10 ? 502 NAG B O7 1 HETATM 4856 C C1 . BMA P 5 . ? 12.223 19.066 6.546 1.00 42.77 ? 503 BMA B C1 1 HETATM 4857 C C2 . BMA P 5 . ? 12.433 17.557 6.508 1.00 49.30 ? 503 BMA B C2 1 HETATM 4858 C C3 . BMA P 5 . ? 12.374 16.920 7.913 1.00 50.98 ? 503 BMA B C3 1 HETATM 4859 C C4 . BMA P 5 . ? 13.249 17.672 8.909 1.00 44.44 ? 503 BMA B C4 1 HETATM 4860 C C5 . BMA P 5 . ? 12.917 19.140 8.839 1.00 41.24 ? 503 BMA B C5 1 HETATM 4861 C C6 . BMA P 5 . ? 13.771 19.900 9.826 1.00 40.84 ? 503 BMA B C6 1 HETATM 4862 O O2 . BMA P 5 . ? 13.698 17.310 5.873 1.00 52.35 ? 503 BMA B O2 1 HETATM 4863 O O3 . BMA P 5 . ? 12.785 15.540 7.942 1.00 63.63 ? 503 BMA B O3 1 HETATM 4864 O O4 . BMA P 5 . ? 12.983 17.223 10.241 1.00 46.06 ? 503 BMA B O4 1 HETATM 4865 O O5 . BMA P 5 . ? 13.119 19.626 7.508 1.00 39.84 ? 503 BMA B O5 1 HETATM 4866 O O6 . BMA P 5 . ? 13.591 21.274 9.506 1.00 48.70 ? 503 BMA B O6 1 HETATM 4867 C C1 . MAN Q 6 . ? 14.428 22.032 10.381 1.00 51.09 ? 504 MAN B C1 1 HETATM 4868 C C2 . MAN Q 6 . ? 13.951 23.479 10.380 1.00 48.51 ? 504 MAN B C2 1 HETATM 4869 C C3 . MAN Q 6 . ? 14.338 24.169 9.085 1.00 50.02 ? 504 MAN B C3 1 HETATM 4870 C C4 . MAN Q 6 . ? 15.841 24.021 8.819 1.00 52.37 ? 504 MAN B C4 1 HETATM 4871 C C5 . MAN Q 6 . ? 16.237 22.542 8.858 1.00 54.65 ? 504 MAN B C5 1 HETATM 4872 C C6 . MAN Q 6 . ? 17.746 22.333 8.765 1.00 54.07 ? 504 MAN B C6 1 HETATM 4873 O O2 . MAN Q 6 . ? 14.588 24.192 11.407 1.00 50.88 ? 504 MAN B O2 1 HETATM 4874 O O3 . MAN Q 6 . ? 13.998 25.521 9.250 1.00 42.28 ? 504 MAN B O3 1 HETATM 4875 O O4 . MAN Q 6 . ? 16.165 24.569 7.557 1.00 54.00 ? 504 MAN B O4 1 HETATM 4876 O O5 . MAN Q 6 . ? 15.805 21.930 10.062 1.00 57.30 ? 504 MAN B O5 1 HETATM 4877 O O6 . MAN Q 6 . ? 18.005 20.947 8.722 1.00 57.39 ? 504 MAN B O6 1 HETATM 4878 C C1 . NAG R 4 . ? 13.846 24.164 12.639 1.00 51.36 ? 505 NAG B C1 1 HETATM 4879 C C2 . NAG R 4 . ? 14.802 24.578 13.754 1.00 45.40 ? 505 NAG B C2 1 HETATM 4880 C C3 . NAG R 4 . ? 14.103 24.690 15.094 1.00 50.80 ? 505 NAG B C3 1 HETATM 4881 C C4 . NAG R 4 . ? 12.773 25.440 14.979 1.00 44.82 ? 505 NAG B C4 1 HETATM 4882 C C5 . NAG R 4 . ? 11.941 25.043 13.757 1.00 42.66 ? 505 NAG B C5 1 HETATM 4883 C C6 . NAG R 4 . ? 10.824 26.030 13.465 1.00 38.12 ? 505 NAG B C6 1 HETATM 4884 C C7 . NAG R 4 . ? 17.083 23.897 13.343 1.00 70.77 ? 505 NAG B C7 1 HETATM 4885 C C8 . NAG R 4 . ? 18.097 22.792 13.431 1.00 60.30 ? 505 NAG B C8 1 HETATM 4886 N N2 . NAG R 4 . ? 15.863 23.599 13.806 1.00 52.31 ? 505 NAG B N2 1 HETATM 4887 O O3 . NAG R 4 . ? 14.952 25.376 15.981 1.00 50.18 ? 505 NAG B O3 1 HETATM 4888 O O4 . NAG R 4 . ? 12.048 25.195 16.154 1.00 42.13 ? 505 NAG B O4 1 HETATM 4889 O O5 . NAG R 4 . ? 12.738 25.037 12.597 1.00 56.75 ? 505 NAG B O5 1 HETATM 4890 O O6 . NAG R 4 . ? 11.329 27.337 13.542 1.00 42.16 ? 505 NAG B O6 1 HETATM 4891 O O7 . NAG R 4 . ? 17.391 25.005 12.874 1.00 62.49 ? 505 NAG B O7 1 HETATM 4892 C C1 . GAL S 7 . ? 11.654 26.461 16.725 1.00 60.80 ? 506 GAL B C1 1 HETATM 4893 C C2 . GAL S 7 . ? 10.986 26.185 18.069 1.00 58.39 ? 506 GAL B C2 1 HETATM 4894 C C3 . GAL S 7 . ? 10.676 27.467 18.830 1.00 59.94 ? 506 GAL B C3 1 HETATM 4895 C C4 . GAL S 7 . ? 11.852 28.449 18.808 1.00 67.00 ? 506 GAL B C4 1 HETATM 4896 C C5 . GAL S 7 . ? 12.348 28.642 17.379 1.00 67.25 ? 506 GAL B C5 1 HETATM 4897 C C6 . GAL S 7 . ? 13.537 29.593 17.320 1.00 64.56 ? 506 GAL B C6 1 HETATM 4898 O O2 . GAL S 7 . ? 9.785 25.476 17.867 1.00 58.55 ? 506 GAL B O2 1 HETATM 4899 O O3 . GAL S 7 . ? 10.355 27.088 20.149 1.00 55.96 ? 506 GAL B O3 1 HETATM 4900 O O4 . GAL S 7 . ? 12.912 27.945 19.592 1.00 67.78 ? 506 GAL B O4 1 HETATM 4901 O O5 . GAL S 7 . ? 12.726 27.386 16.852 1.00 71.04 ? 506 GAL B O5 1 HETATM 4902 O O6 . GAL S 7 . ? 13.708 30.006 15.985 1.00 70.15 ? 506 GAL B O6 1 HETATM 4903 C C1 . MAN T 6 . ? 11.797 14.688 7.339 1.00 79.56 ? 507 MAN B C1 1 HETATM 4904 C C2 . MAN T 6 . ? 11.715 13.428 8.195 1.00 82.30 ? 507 MAN B C2 1 HETATM 4905 C C3 . MAN T 6 . ? 12.423 12.237 7.558 1.00 75.62 ? 507 MAN B C3 1 HETATM 4906 C C4 . MAN T 6 . ? 12.089 12.019 6.076 1.00 87.15 ? 507 MAN B C4 1 HETATM 4907 C C5 . MAN T 6 . ? 11.636 13.275 5.324 1.00 92.48 ? 507 MAN B C5 1 HETATM 4908 C C6 . MAN T 6 . ? 10.125 13.303 5.064 1.00 98.17 ? 507 MAN B C6 1 HETATM 4909 O O2 . MAN T 6 . ? 10.357 13.124 8.446 1.00 107.15 ? 507 MAN B O2 1 HETATM 4910 O O3 . MAN T 6 . ? 12.053 11.091 8.287 1.00 62.98 ? 507 MAN B O3 1 HETATM 4911 O O4 . MAN T 6 . ? 13.236 11.524 5.424 1.00 97.09 ? 507 MAN B O4 1 HETATM 4912 O O5 . MAN T 6 . ? 12.090 14.461 5.961 1.00 93.08 ? 507 MAN B O5 1 HETATM 4913 O O6 . MAN T 6 . ? 9.736 14.575 4.591 1.00 85.57 ? 507 MAN B O6 1 HETATM 4914 C C1 . FUC U 8 . ? 14.478 27.618 2.560 1.00 49.32 ? 508 FUC B C1 1 HETATM 4915 C C2 . FUC U 8 . ? 15.806 26.955 2.911 1.00 50.73 ? 508 FUC B C2 1 HETATM 4916 C C3 . FUC U 8 . ? 16.162 25.957 1.805 1.00 50.72 ? 508 FUC B C3 1 HETATM 4917 C C4 . FUC U 8 . ? 16.226 26.648 0.444 1.00 45.77 ? 508 FUC B C4 1 HETATM 4918 C C5 . FUC U 8 . ? 14.955 27.473 0.230 1.00 46.03 ? 508 FUC B C5 1 HETATM 4919 C C6 . FUC U 8 . ? 15.007 28.330 -1.022 1.00 52.56 ? 508 FUC B C6 1 HETATM 4920 O O2 . FUC U 8 . ? 15.744 26.293 4.149 1.00 49.70 ? 508 FUC B O2 1 HETATM 4921 O O3 . FUC U 8 . ? 17.387 25.341 2.092 1.00 59.52 ? 508 FUC B O3 1 HETATM 4922 O O4 . FUC U 8 . ? 17.345 27.503 0.412 1.00 54.70 ? 508 FUC B O4 1 HETATM 4923 O O5 . FUC U 8 . ? 14.704 28.316 1.345 1.00 50.19 ? 508 FUC B O5 1 HETATM 4924 C C1 . BMA V 5 . ? 55.840 42.289 52.917 1.00 97.04 ? 501 BMA E C1 1 HETATM 4925 C C2 . BMA V 5 . ? 56.335 43.741 52.979 1.00 101.23 ? 501 BMA E C2 1 HETATM 4926 C C3 . BMA V 5 . ? 57.627 44.009 52.195 1.00 99.66 ? 501 BMA E C3 1 HETATM 4927 C C4 . BMA V 5 . ? 58.625 42.833 52.204 1.00 90.11 ? 501 BMA E C4 1 HETATM 4928 C C5 . BMA V 5 . ? 57.980 41.442 52.219 1.00 79.87 ? 501 BMA E C5 1 HETATM 4929 C C6 . BMA V 5 . ? 58.968 40.338 52.590 1.00 66.37 ? 501 BMA E C6 1 HETATM 4930 O O2 . BMA V 5 . ? 56.555 44.108 54.348 1.00 104.56 ? 501 BMA E O2 1 HETATM 4931 O O3 . BMA V 5 . ? 58.231 45.190 52.766 1.00 111.06 ? 501 BMA E O3 1 HETATM 4932 O O4 . BMA V 5 . ? 59.445 42.926 51.032 1.00 77.74 ? 501 BMA E O4 1 HETATM 4933 O O5 . BMA V 5 . ? 56.911 41.382 53.161 1.00 94.65 ? 501 BMA E O5 1 HETATM 4934 O O6 . BMA V 5 . ? 58.226 39.112 52.684 1.00 72.42 ? 501 BMA E O6 1 HETATM 4935 C C1 . MAN W 6 . ? 59.105 37.971 52.678 1.00 78.82 ? 502 MAN E C1 1 HETATM 4936 C C2 . MAN W 6 . ? 58.416 36.760 52.041 1.00 77.45 ? 502 MAN E C2 1 HETATM 4937 C C3 . MAN W 6 . ? 57.205 36.386 52.888 1.00 87.83 ? 502 MAN E C3 1 HETATM 4938 C C4 . MAN W 6 . ? 57.652 36.092 54.328 1.00 102.76 ? 502 MAN E C4 1 HETATM 4939 C C5 . MAN W 6 . ? 58.537 37.214 54.894 1.00 103.47 ? 502 MAN E C5 1 HETATM 4940 C C6 . MAN W 6 . ? 59.212 36.768 56.186 1.00 102.67 ? 502 MAN E C6 1 HETATM 4941 O O2 . MAN W 6 . ? 59.279 35.638 52.057 1.00 88.13 ? 502 MAN E O2 1 HETATM 4942 O O3 . MAN W 6 . ? 56.572 35.261 52.324 1.00 70.99 ? 502 MAN E O3 1 HETATM 4943 O O4 . MAN W 6 . ? 56.534 35.877 55.168 1.00 87.14 ? 502 MAN E O4 1 HETATM 4944 O O5 . MAN W 6 . ? 59.550 37.626 53.979 1.00 95.88 ? 502 MAN E O5 1 HETATM 4945 O O6 . MAN W 6 . ? 59.907 37.859 56.745 1.00 103.33 ? 502 MAN E O6 1 HETATM 4946 C C1 . NAG X 4 . ? 59.778 35.252 50.762 1.00 104.00 ? 503 NAG E C1 1 HETATM 4947 C C2 . NAG X 4 . ? 61.094 34.493 50.972 1.00 94.94 ? 503 NAG E C2 1 HETATM 4948 C C3 . NAG X 4 . ? 61.590 33.693 49.761 1.00 90.32 ? 503 NAG E C3 1 HETATM 4949 C C4 . NAG X 4 . ? 60.551 33.358 48.676 1.00 101.04 ? 503 NAG E C4 1 HETATM 4950 C C5 . NAG X 4 . ? 59.312 34.264 48.692 1.00 97.87 ? 503 NAG E C5 1 HETATM 4951 C C6 . NAG X 4 . ? 58.169 33.707 47.845 1.00 80.80 ? 503 NAG E C6 1 HETATM 4952 C C7 . NAG X 4 . ? 62.478 35.677 52.610 1.00 119.09 ? 503 NAG E C7 1 HETATM 4953 C C8 . NAG X 4 . ? 63.578 36.682 52.806 1.00 112.49 ? 503 NAG E C8 1 HETATM 4954 N N2 . NAG X 4 . ? 62.134 35.433 51.346 1.00 102.82 ? 503 NAG E N2 1 HETATM 4955 O O3 . NAG X 4 . ? 62.144 32.486 50.234 1.00 79.31 ? 503 NAG E O3 1 HETATM 4956 O O4 . NAG X 4 . ? 61.190 33.419 47.411 1.00 100.04 ? 503 NAG E O4 1 HETATM 4957 O O5 . NAG X 4 . ? 58.871 34.460 50.023 1.00 109.09 ? 503 NAG E O5 1 HETATM 4958 O O6 . NAG X 4 . ? 57.527 32.641 48.506 1.00 74.29 ? 503 NAG E O6 1 HETATM 4959 O O7 . NAG X 4 . ? 61.945 35.130 53.579 1.00 111.30 ? 503 NAG E O7 1 HETATM 4960 C C1 . GAL Y 7 . ? 61.283 32.105 46.811 1.00 93.54 ? 504 GAL E C1 1 HETATM 4961 C C2 . GAL Y 7 . ? 62.140 32.122 45.538 1.00 80.72 ? 504 GAL E C2 1 HETATM 4962 C C3 . GAL Y 7 . ? 62.124 30.735 44.891 1.00 86.98 ? 504 GAL E C3 1 HETATM 4963 C C4 . GAL Y 7 . ? 62.450 29.616 45.898 1.00 104.09 ? 504 GAL E C4 1 HETATM 4964 C C5 . GAL Y 7 . ? 61.622 29.795 47.177 1.00 108.95 ? 504 GAL E C5 1 HETATM 4965 C C6 . GAL Y 7 . ? 61.977 28.766 48.248 1.00 100.95 ? 504 GAL E C6 1 HETATM 4966 O O2 . GAL Y 7 . ? 61.712 33.084 44.593 1.00 51.75 ? 504 GAL E O2 1 HETATM 4967 O O3 . GAL Y 7 . ? 63.017 30.737 43.801 1.00 77.79 ? 504 GAL E O3 1 HETATM 4968 O O4 . GAL Y 7 . ? 63.826 29.580 46.223 1.00 102.42 ? 504 GAL E O4 1 HETATM 4969 O O5 . GAL Y 7 . ? 61.792 31.107 47.685 1.00 113.52 ? 504 GAL E O5 1 HETATM 4970 O O6 . GAL Y 7 . ? 60.831 27.998 48.530 1.00 90.03 ? 504 GAL E O6 1 HETATM 4971 C C1 . MAN Z 6 . ? 58.706 46.144 51.783 1.00 132.52 ? 505 MAN E C1 1 HETATM 4972 C C2 . MAN Z 6 . ? 59.750 47.074 52.416 1.00 142.01 ? 505 MAN E C2 1 HETATM 4973 C C3 . MAN Z 6 . ? 60.388 47.989 51.364 1.00 144.92 ? 505 MAN E C3 1 HETATM 4974 C C4 . MAN Z 6 . ? 59.619 47.959 50.043 1.00 146.05 ? 505 MAN E C4 1 HETATM 4975 C C5 . MAN Z 6 . ? 58.095 47.913 50.250 1.00 139.32 ? 505 MAN E C5 1 HETATM 4976 C C6 . MAN Z 6 . ? 57.364 47.677 48.929 1.00 127.83 ? 505 MAN E C6 1 HETATM 4977 O O2 . MAN Z 6 . ? 60.744 46.338 53.099 1.00 132.02 ? 505 MAN E O2 1 HETATM 4978 O O3 . MAN Z 6 . ? 61.730 47.622 51.110 1.00 138.77 ? 505 MAN E O3 1 HETATM 4979 O O4 . MAN Z 6 . ? 59.994 49.093 49.291 1.00 142.19 ? 505 MAN E O4 1 HETATM 4980 O O5 . MAN Z 6 . ? 57.678 46.928 51.195 1.00 128.82 ? 505 MAN E O5 1 HETATM 4981 O O6 . MAN Z 6 . ? 56.187 48.467 48.908 1.00 126.56 ? 505 MAN E O6 1 HETATM 4982 C C1 . NAG AA 4 . ? 46.545 38.516 56.260 1.00 103.23 ? 506 NAG E C1 1 HETATM 4983 C C2 . NAG AA 4 . ? 47.023 39.963 56.059 1.00 93.02 ? 506 NAG E C2 1 HETATM 4984 C C3 . NAG AA 4 . ? 48.009 40.025 54.892 1.00 86.94 ? 506 NAG E C3 1 HETATM 4985 C C4 . NAG AA 4 . ? 49.232 39.188 55.241 1.00 81.70 ? 506 NAG E C4 1 HETATM 4986 C C5 . NAG AA 4 . ? 48.805 37.741 55.534 1.00 90.36 ? 506 NAG E C5 1 HETATM 4987 C C6 . NAG AA 4 . ? 49.973 36.982 56.169 1.00 84.45 ? 506 NAG E C6 1 HETATM 4988 C C7 . NAG AA 4 . ? 45.734 41.948 56.687 1.00 105.20 ? 506 NAG E C7 1 HETATM 4989 C C8 . NAG AA 4 . ? 44.568 42.839 56.381 1.00 90.92 ? 506 NAG E C8 1 HETATM 4990 N N2 . NAG AA 4 . ? 45.924 40.903 55.870 1.00 104.82 ? 506 NAG E N2 1 HETATM 4991 O O3 . NAG AA 4 . ? 48.394 41.344 54.557 1.00 74.28 ? 506 NAG E O3 1 HETATM 4992 O O4 . NAG AA 4 . ? 50.104 39.189 54.132 1.00 80.37 ? 506 NAG E O4 1 HETATM 4993 O O5 . NAG AA 4 . ? 47.637 37.602 56.350 1.00 108.65 ? 506 NAG E O5 1 HETATM 4994 O O6 . NAG AA 4 . ? 49.579 36.192 57.273 1.00 89.94 ? 506 NAG E O6 1 HETATM 4995 O O7 . NAG AA 4 . ? 46.452 42.203 57.656 1.00 101.02 ? 506 NAG E O7 1 HETATM 4996 C C1 . NAG BA 4 . ? 51.346 39.881 54.355 1.00 77.15 ? 507 NAG E C1 1 HETATM 4997 C C2 . NAG BA 4 . ? 52.475 39.157 53.612 1.00 81.78 ? 507 NAG E C2 1 HETATM 4998 C C3 . NAG BA 4 . ? 53.814 39.888 53.753 1.00 91.46 ? 507 NAG E C3 1 HETATM 4999 C C4 . NAG BA 4 . ? 53.684 41.384 53.428 1.00 89.95 ? 507 NAG E C4 1 HETATM 5000 C C5 . NAG BA 4 . ? 52.434 41.990 54.092 1.00 92.59 ? 507 NAG E C5 1 HETATM 5001 C C6 . NAG BA 4 . ? 52.187 43.431 53.641 1.00 86.44 ? 507 NAG E C6 1 HETATM 5002 C C7 . NAG BA 4 . ? 52.781 36.763 53.157 1.00 73.59 ? 507 NAG E C7 1 HETATM 5003 C C8 . NAG BA 4 . ? 52.911 35.385 53.739 1.00 73.06 ? 507 NAG E C8 1 HETATM 5004 N N2 . NAG BA 4 . ? 52.614 37.767 54.025 1.00 80.21 ? 507 NAG E N2 1 HETATM 5005 O O3 . NAG BA 4 . ? 54.768 39.268 52.912 1.00 90.78 ? 507 NAG E O3 1 HETATM 5006 O O4 . NAG BA 4 . ? 54.813 42.089 53.909 1.00 97.36 ? 507 NAG E O4 1 HETATM 5007 O O5 . NAG BA 4 . ? 51.263 41.210 53.877 1.00 82.90 ? 507 NAG E O5 1 HETATM 5008 O O6 . NAG BA 4 . ? 50.924 43.556 53.023 1.00 78.16 ? 507 NAG E O6 1 HETATM 5009 O O7 . NAG BA 4 . ? 52.828 36.914 51.937 1.00 70.74 ? 507 NAG E O7 1 HETATM 5010 O O . HOH CA 9 . ? 46.536 -0.538 37.624 1.00 39.12 ? 601 HOH A O 1 HETATM 5011 O O . HOH CA 9 . ? 12.881 0.599 -3.769 1.00 48.53 ? 602 HOH A O 1 HETATM 5012 O O . HOH CA 9 . ? 25.624 18.545 -0.522 1.00 59.63 ? 603 HOH A O 1 HETATM 5013 O O . HOH CA 9 . ? 30.887 1.422 -2.404 1.00 24.54 ? 604 HOH A O 1 HETATM 5014 O O . HOH CA 9 . ? 36.729 6.328 -16.888 1.00 40.49 ? 605 HOH A O 1 HETATM 5015 O O . HOH CA 9 . ? 28.685 4.898 32.342 1.00 37.45 ? 606 HOH A O 1 HETATM 5016 O O . HOH CA 9 . ? 32.125 1.120 -13.483 1.00 17.91 ? 607 HOH A O 1 HETATM 5017 O O . HOH CA 9 . ? 39.855 14.091 -11.469 1.00 39.64 ? 608 HOH A O 1 HETATM 5018 O O . HOH CA 9 . ? 43.260 23.120 10.752 1.00 27.90 ? 609 HOH A O 1 HETATM 5019 O O . HOH CA 9 . ? 28.583 -6.222 -10.197 1.00 30.28 ? 610 HOH A O 1 HETATM 5020 O O . HOH CA 9 . ? 42.212 0.274 37.177 1.00 55.15 ? 611 HOH A O 1 HETATM 5021 O O . HOH CA 9 . ? 40.779 29.013 13.939 1.00 25.09 ? 612 HOH A O 1 HETATM 5022 O O . HOH CA 9 . ? 24.886 0.395 -18.116 1.00 40.11 ? 613 HOH A O 1 HETATM 5023 O O . HOH CA 9 . ? 43.952 6.730 -5.871 1.00 33.50 ? 614 HOH A O 1 HETATM 5024 O O . HOH CA 9 . ? 32.738 9.765 36.396 1.00 37.78 ? 615 HOH A O 1 HETATM 5025 O O . HOH CA 9 . ? 11.740 3.781 -18.849 1.00 43.48 ? 616 HOH A O 1 HETATM 5026 O O . HOH CA 9 . ? 41.822 18.339 -1.769 1.00 36.26 ? 617 HOH A O 1 HETATM 5027 O O . HOH CA 9 . ? 38.048 -0.510 -8.612 1.00 32.88 ? 618 HOH A O 1 HETATM 5028 O O . HOH CA 9 . ? 41.225 13.639 -1.520 1.00 28.16 ? 619 HOH A O 1 HETATM 5029 O O . HOH CA 9 . ? 34.945 9.408 33.824 1.00 35.01 ? 620 HOH A O 1 HETATM 5030 O O . HOH CA 9 . ? 16.470 5.166 -8.713 1.00 55.94 ? 621 HOH A O 1 HETATM 5031 O O . HOH CA 9 . ? 30.278 9.151 -18.783 1.00 30.94 ? 622 HOH A O 1 HETATM 5032 O O . HOH CA 9 . ? 48.976 5.277 -0.971 1.00 34.12 ? 623 HOH A O 1 HETATM 5033 O O . HOH CA 9 . ? 24.749 -0.960 -11.111 1.00 29.36 ? 624 HOH A O 1 HETATM 5034 O O . HOH CA 9 . ? 44.595 -5.718 33.328 1.00 44.57 ? 625 HOH A O 1 HETATM 5035 O O . HOH CA 9 . ? 41.427 24.881 13.602 1.00 47.82 ? 626 HOH A O 1 HETATM 5036 O O . HOH CA 9 . ? 43.618 25.112 6.634 1.00 50.98 ? 627 HOH A O 1 HETATM 5037 O O . HOH CA 9 . ? 5.676 -0.296 -10.483 1.00 39.27 ? 628 HOH A O 1 HETATM 5038 O O . HOH CA 9 . ? 35.529 4.219 9.277 1.00 28.11 ? 629 HOH A O 1 HETATM 5039 O O . HOH CA 9 . ? 34.828 13.384 1.128 1.00 34.36 ? 630 HOH A O 1 HETATM 5040 O O . HOH CA 9 . ? 32.989 -4.429 21.482 1.00 50.01 ? 631 HOH A O 1 HETATM 5041 O O . HOH CA 9 . ? 11.214 3.999 -4.198 1.00 48.48 ? 632 HOH A O 1 HETATM 5042 O O . HOH CA 9 . ? 35.492 16.891 8.365 1.00 41.25 ? 633 HOH A O 1 HETATM 5043 O O . HOH CA 9 . ? 12.444 -3.533 -5.614 1.00 38.40 ? 634 HOH A O 1 HETATM 5044 O O . HOH CA 9 . ? 45.730 11.281 29.260 1.00 47.93 ? 635 HOH A O 1 HETATM 5045 O O . HOH CA 9 . ? 5.602 2.032 -8.870 1.00 38.61 ? 636 HOH A O 1 HETATM 5046 O O . HOH CA 9 . ? 49.079 6.582 27.778 1.00 45.75 ? 637 HOH A O 1 HETATM 5047 O O . HOH CA 9 . ? 35.479 19.244 7.727 1.00 37.70 ? 638 HOH A O 1 HETATM 5048 O O . HOH CA 9 . ? 47.051 2.004 38.632 1.00 56.86 ? 639 HOH A O 1 HETATM 5049 O O . HOH CA 9 . ? 38.890 24.269 4.192 1.00 43.27 ? 640 HOH A O 1 HETATM 5050 O O . HOH CA 9 . ? 33.365 4.065 -20.326 1.00 36.92 ? 641 HOH A O 1 HETATM 5051 O O . HOH CA 9 . ? 41.162 22.917 12.242 1.00 48.01 ? 642 HOH A O 1 HETATM 5052 O O . HOH CA 9 . ? 17.801 -6.042 -11.849 1.00 37.20 ? 643 HOH A O 1 HETATM 5053 O O . HOH CA 9 . ? 35.977 15.288 -18.487 1.00 45.93 ? 644 HOH A O 1 HETATM 5054 O O . HOH CA 9 . ? 47.928 14.262 23.841 1.00 43.57 ? 645 HOH A O 1 HETATM 5055 O O . HOH CA 9 . ? 34.609 21.923 8.848 1.00 24.88 ? 646 HOH A O 1 HETATM 5056 O O . HOH DA 9 . ? 10.881 26.796 22.689 1.00 37.15 ? 601 HOH B O 1 HETATM 5057 O O . HOH DA 9 . ? 36.383 19.554 42.162 1.00 39.08 ? 602 HOH B O 1 HETATM 5058 O O . HOH DA 9 . ? -7.462 26.037 17.000 1.00 36.81 ? 603 HOH B O 1 HETATM 5059 O O . HOH DA 9 . ? 45.363 13.391 34.702 1.00 38.84 ? 604 HOH B O 1 HETATM 5060 O O . HOH DA 9 . ? 8.252 31.643 -5.437 1.00 42.41 ? 605 HOH B O 1 HETATM 5061 O O . HOH DA 9 . ? 40.175 14.080 35.105 1.00 40.70 ? 606 HOH B O 1 HETATM 5062 O O . HOH DA 9 . ? 32.480 33.726 36.342 1.00 38.21 ? 607 HOH B O 1 HETATM 5063 O O . HOH DA 9 . ? 33.864 30.407 30.300 1.00 45.62 ? 608 HOH B O 1 HETATM 5064 O O . HOH DA 9 . ? -0.233 24.223 27.020 1.00 44.38 ? 609 HOH B O 1 HETATM 5065 O O . HOH DA 9 . ? 7.452 26.465 1.075 1.00 28.13 ? 610 HOH B O 1 HETATM 5066 O O . HOH DA 9 . ? -5.304 28.540 18.085 1.00 41.66 ? 611 HOH B O 1 HETATM 5067 O O . HOH DA 9 . ? 19.036 6.368 35.483 1.00 46.50 ? 612 HOH B O 1 HETATM 5068 O O . HOH DA 9 . ? -6.316 27.087 0.173 1.00 40.49 ? 613 HOH B O 1 HETATM 5069 O O . HOH DA 9 . ? 26.340 30.196 28.656 1.00 54.33 ? 614 HOH B O 1 HETATM 5070 O O . HOH DA 9 . ? 40.783 24.516 40.816 1.00 42.30 ? 615 HOH B O 1 HETATM 5071 O O . HOH DA 9 . ? 4.097 16.967 26.474 1.00 37.16 ? 616 HOH B O 1 HETATM 5072 O O . HOH DA 9 . ? 38.431 17.476 31.553 1.00 37.55 ? 617 HOH B O 1 HETATM 5073 O O . HOH DA 9 . ? -8.755 28.436 13.071 1.00 36.80 ? 618 HOH B O 1 HETATM 5074 O O . HOH DA 9 . ? 18.145 18.146 25.306 1.00 34.47 ? 619 HOH B O 1 HETATM 5075 O O . HOH DA 9 . ? 2.935 28.148 -6.883 1.00 39.56 ? 620 HOH B O 1 HETATM 5076 O O . HOH DA 9 . ? 17.135 23.909 24.829 1.00 51.93 ? 621 HOH B O 1 HETATM 5077 O O . HOH DA 9 . ? 34.692 21.028 43.984 1.00 40.10 ? 622 HOH B O 1 HETATM 5078 O O . HOH DA 9 . ? -7.035 23.516 9.405 1.00 37.46 ? 623 HOH B O 1 HETATM 5079 O O . HOH DA 9 . ? -12.363 21.938 15.117 1.00 42.83 ? 624 HOH B O 1 HETATM 5080 O O . HOH DA 9 . ? 3.785 28.318 31.354 1.00 43.96 ? 625 HOH B O 1 HETATM 5081 O O . HOH DA 9 . ? 21.661 13.460 40.427 1.00 43.19 ? 626 HOH B O 1 HETATM 5082 O O . HOH DA 9 . ? 37.156 30.236 29.600 1.00 45.68 ? 627 HOH B O 1 HETATM 5083 O O . HOH DA 9 . ? 8.570 29.601 16.915 1.00 36.06 ? 628 HOH B O 1 HETATM 5084 O O . HOH DA 9 . ? -4.028 32.016 4.893 1.00 40.28 ? 629 HOH B O 1 HETATM 5085 O O . HOH DA 9 . ? 39.361 31.298 30.877 1.00 39.06 ? 630 HOH B O 1 HETATM 5086 O O . HOH DA 9 . ? -7.882 29.573 23.584 1.00 33.84 ? 631 HOH B O 1 HETATM 5087 O O . HOH DA 9 . ? 22.121 8.694 20.041 1.00 31.42 ? 632 HOH B O 1 HETATM 5088 O O . HOH DA 9 . ? 24.170 11.582 19.517 1.00 45.22 ? 633 HOH B O 1 HETATM 5089 O O . HOH DA 9 . ? 13.782 25.838 39.424 1.00 55.31 ? 634 HOH B O 1 HETATM 5090 O O . HOH DA 9 . ? 2.953 16.620 5.430 1.00 39.10 ? 635 HOH B O 1 HETATM 5091 O O . HOH DA 9 . ? -7.730 20.904 3.280 1.00 41.70 ? 636 HOH B O 1 HETATM 5092 O O . HOH DA 9 . ? 13.022 5.053 30.659 1.00 37.76 ? 637 HOH B O 1 HETATM 5093 O O . HOH DA 9 . ? 14.428 25.863 -3.319 1.00 43.43 ? 638 HOH B O 1 HETATM 5094 O O . HOH DA 9 . ? 2.084 13.307 13.684 1.00 42.52 ? 639 HOH B O 1 HETATM 5095 O O . HOH DA 9 . ? -8.381 31.098 16.482 1.00 38.86 ? 640 HOH B O 1 HETATM 5096 O O . HOH DA 9 . ? -6.555 29.526 -1.370 1.00 31.51 ? 641 HOH B O 1 HETATM 5097 O O . HOH DA 9 . ? 21.947 15.645 41.811 1.00 48.49 ? 642 HOH B O 1 HETATM 5098 O O . HOH DA 9 . ? 22.826 19.454 24.438 1.00 42.07 ? 643 HOH B O 1 HETATM 5099 O O . HOH DA 9 . ? 27.881 22.523 20.640 1.00 44.25 ? 644 HOH B O 1 HETATM 5100 O O . HOH DA 9 . ? -10.416 28.856 -4.531 1.00 49.26 ? 645 HOH B O 1 HETATM 5101 O O . HOH DA 9 . ? 11.450 11.917 11.418 1.00 52.10 ? 646 HOH B O 1 HETATM 5102 O O . HOH DA 9 . ? 21.575 10.274 39.591 1.00 61.51 ? 647 HOH B O 1 HETATM 5103 O O . HOH DA 9 . ? 25.232 12.440 41.047 1.00 40.76 ? 648 HOH B O 1 HETATM 5104 O O . HOH DA 9 . ? 26.890 26.266 24.203 1.00 47.07 ? 649 HOH B O 1 HETATM 5105 O O . HOH EA 9 . ? 65.283 30.703 42.750 1.00 36.80 ? 601 HOH E O 1 HETATM 5106 O O . HOH EA 9 . ? 64.821 34.956 31.359 1.00 42.03 ? 602 HOH E O 1 HETATM 5107 O O . HOH EA 9 . ? 68.430 40.932 36.427 1.00 54.48 ? 603 HOH E O 1 HETATM 5108 O O . HOH EA 9 . ? 90.771 26.113 54.574 1.00 49.91 ? 604 HOH E O 1 HETATM 5109 O O . HOH EA 9 . ? 47.327 40.634 34.400 1.00 49.52 ? 605 HOH E O 1 HETATM 5110 O O . HOH EA 9 . ? 57.634 29.019 34.894 1.00 43.91 ? 606 HOH E O 1 HETATM 5111 O O . HOH EA 9 . ? 43.031 47.203 46.946 1.00 50.74 ? 607 HOH E O 1 HETATM 5112 O O . HOH EA 9 . ? 52.669 36.308 57.556 1.00 50.71 ? 608 HOH E O 1 HETATM 5113 O O . HOH EA 9 . ? 83.744 29.314 61.004 1.00 40.57 ? 609 HOH E O 1 HETATM 5114 O O . HOH EA 9 . ? 78.848 28.149 60.151 1.00 50.02 ? 610 HOH E 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 ASP 1 221 ? ? ? A . n A 1 2 LYS 2 222 ? ? ? A . n A 1 3 THR 3 223 ? ? ? A . n A 1 4 HIS 4 224 ? ? ? A . n A 1 5 THR 5 225 ? ? ? A . n A 1 6 CYS 6 226 ? ? ? A . n A 1 7 PRO 7 227 ? ? ? A . n A 1 8 PRO 8 228 ? ? ? A . n A 1 9 CYS 9 229 ? ? ? A . n A 1 10 PRO 10 230 ? ? ? A . n A 1 11 ALA 11 231 ? ? ? A . n A 1 12 PRO 12 232 ? ? ? A . n A 1 13 GLU 13 233 ? ? ? A . n A 1 14 LEU 14 234 ? ? ? A . n A 1 15 LEU 15 235 ? ? ? A . n A 1 16 GLY 16 236 ? ? ? A . n A 1 17 GLY 17 237 237 GLY GLY A . n A 1 18 PRO 18 238 238 PRO PRO A . n A 1 19 SER 19 239 239 SER SER A . n A 1 20 VAL 20 240 240 VAL VAL A . n A 1 21 PHE 21 241 241 PHE PHE A . n A 1 22 LEU 22 242 242 LEU LEU A . n A 1 23 PHE 23 243 243 PHE PHE A . n A 1 24 PRO 24 244 244 PRO PRO A . n A 1 25 PRO 25 245 245 PRO PRO A . n A 1 26 LYS 26 246 246 LYS LYS A . n A 1 27 PRO 27 247 247 PRO PRO A . n A 1 28 LYS 28 248 248 LYS LYS A . n A 1 29 ASP 29 249 249 ASP ASP A . n A 1 30 THR 30 250 250 THR THR A . n A 1 31 LEU 31 251 251 LEU LEU A . n A 1 32 MET 32 252 252 MET MET A . n A 1 33 ILE 33 253 253 ILE ILE A . n A 1 34 SER 34 254 254 SER SER A . n A 1 35 ARG 35 255 255 ARG ARG A . n A 1 36 THR 36 256 256 THR THR A . n A 1 37 PRO 37 257 257 PRO PRO A . n A 1 38 GLU 38 258 258 GLU GLU A . n A 1 39 VAL 39 259 259 VAL VAL A . n A 1 40 THR 40 260 260 THR THR A . n A 1 41 CYS 41 261 261 CYS CYS A . n A 1 42 VAL 42 262 262 VAL VAL A . n A 1 43 VAL 43 263 263 VAL VAL A . n A 1 44 VAL 44 264 264 VAL VAL A . n A 1 45 ASP 45 265 265 ASP ASP A . n A 1 46 VAL 46 266 266 VAL VAL A . n A 1 47 SER 47 267 267 SER SER A . n A 1 48 HIS 48 268 268 HIS HIS A . n A 1 49 GLU 49 269 269 GLU GLU A . n A 1 50 ASP 50 270 270 ASP ASP A . n A 1 51 PRO 51 271 271 PRO PRO A . n A 1 52 GLU 52 272 272 GLU GLU A . n A 1 53 VAL 53 273 273 VAL VAL A . n A 1 54 LYS 54 274 274 LYS LYS A . n A 1 55 PHE 55 275 275 PHE PHE A . n A 1 56 ASN 56 276 276 ASN ASN A . n A 1 57 TRP 57 277 277 TRP TRP A . n A 1 58 TYR 58 278 278 TYR TYR A . n A 1 59 VAL 59 279 279 VAL VAL A . n A 1 60 ASP 60 280 280 ASP ASP A . n A 1 61 GLY 61 281 281 GLY GLY A . n A 1 62 VAL 62 282 282 VAL VAL A . n A 1 63 GLU 63 283 283 GLU GLU A . n A 1 64 VAL 64 284 284 VAL VAL A . n A 1 65 HIS 65 285 285 HIS HIS A . n A 1 66 ASN 66 286 286 ASN ASN A . n A 1 67 ALA 67 287 287 ALA ALA A . n A 1 68 LYS 68 288 288 LYS LYS A . n A 1 69 THR 69 289 289 THR THR A . n A 1 70 LYS 70 290 290 LYS LYS A . n A 1 71 PRO 71 291 291 PRO PRO A . n A 1 72 ARG 72 292 292 ARG ARG A . n A 1 73 GLU 73 293 293 GLU GLU A . n A 1 74 GLU 74 294 294 GLU GLU A . n A 1 75 GLN 75 295 295 GLN GLN A . n A 1 76 TYR 76 296 296 TYR TYR A . n A 1 77 ASN 77 297 297 ASN ASN A . n A 1 78 SER 78 298 298 SER SER A . n A 1 79 THR 79 299 299 THR THR A . n A 1 80 TYR 80 300 300 TYR TYR A . n A 1 81 ARG 81 301 301 ARG ARG A . n A 1 82 VAL 82 302 302 VAL VAL A . n A 1 83 VAL 83 303 303 VAL VAL A . n A 1 84 SER 84 304 304 SER SER A . n A 1 85 VAL 85 305 305 VAL VAL A . n A 1 86 LEU 86 306 306 LEU LEU A . n A 1 87 THR 87 307 307 THR THR A . n A 1 88 VAL 88 308 308 VAL VAL A . n A 1 89 LEU 89 309 309 LEU LEU A . n A 1 90 HIS 90 310 310 HIS HIS A . n A 1 91 GLN 91 311 311 GLN GLN A . n A 1 92 ASP 92 312 312 ASP ASP A . n A 1 93 TRP 93 313 313 TRP TRP A . n A 1 94 LEU 94 314 314 LEU LEU A . n A 1 95 ASN 95 315 315 ASN ASN A . n A 1 96 GLY 96 316 316 GLY GLY A . n A 1 97 LYS 97 317 317 LYS LYS A . n A 1 98 GLU 98 318 318 GLU GLU A . n A 1 99 TYR 99 319 319 TYR TYR A . n A 1 100 LYS 100 320 320 LYS LYS A . n A 1 101 CYS 101 321 321 CYS CYS A . n A 1 102 LYS 102 322 322 LYS LYS A . n A 1 103 VAL 103 323 323 VAL VAL A . n A 1 104 SER 104 324 324 SER SER A . n A 1 105 ASN 105 325 325 ASN ASN A . n A 1 106 LYS 106 326 326 LYS LYS A . n A 1 107 ALA 107 327 327 ALA ALA A . n A 1 108 LEU 108 328 328 LEU LEU A . n A 1 109 PRO 109 329 329 PRO PRO A . n A 1 110 ALA 110 330 330 ALA ALA A . n A 1 111 PRO 111 331 331 PRO PRO A . n A 1 112 ILE 112 332 332 ILE ILE A . n A 1 113 GLU 113 333 333 GLU GLU A . n A 1 114 LYS 114 334 334 LYS LYS A . n A 1 115 THR 115 335 335 THR THR A . n A 1 116 ILE 116 336 336 ILE ILE A . n A 1 117 SER 117 337 337 SER SER A . n A 1 118 LYS 118 338 338 LYS LYS A . n A 1 119 ALA 119 339 339 ALA ALA A . n A 1 120 LYS 120 340 340 LYS LYS A . n A 1 121 GLY 121 341 341 GLY GLY A . n A 1 122 GLN 122 342 342 GLN GLN A . n A 1 123 PRO 123 343 343 PRO PRO A . n A 1 124 ARG 124 344 344 ARG ARG A . n A 1 125 GLU 125 345 345 GLU GLU A . n A 1 126 PRO 126 346 346 PRO PRO A . n A 1 127 GLN 127 347 347 GLN GLN A . n A 1 128 VAL 128 348 348 VAL VAL A . n A 1 129 TYR 129 349 349 TYR TYR A . n A 1 130 THR 130 350 350 THR THR A . n A 1 131 LEU 131 351 351 LEU LEU A . n A 1 132 PRO 132 352 352 PRO PRO A . n A 1 133 PRO 133 353 353 PRO PRO A . n A 1 134 SER 134 354 354 SER SER A . n A 1 135 ARG 135 355 355 ARG ARG A . n A 1 136 LYS 136 356 356 LYS LYS A . n A 1 137 GLU 137 357 357 GLU GLU A . n A 1 138 MET 138 358 358 MET MET A . n A 1 139 THR 139 359 359 THR THR A . n A 1 140 LYS 140 360 360 LYS LYS A . n A 1 141 ASN 141 361 361 ASN ASN A . n A 1 142 GLN 142 362 362 GLN GLN A . n A 1 143 VAL 143 363 363 VAL VAL A . n A 1 144 SER 144 364 364 SER SER A . n A 1 145 LEU 145 365 365 LEU LEU A . n A 1 146 THR 146 366 366 THR THR A . n A 1 147 CYS 147 367 367 CYS CYS A . n A 1 148 LEU 148 368 368 LEU LEU A . n A 1 149 VAL 149 369 369 VAL VAL A . n A 1 150 LYS 150 370 370 LYS LYS A . n A 1 151 GLY 151 371 371 GLY GLY A . n A 1 152 PHE 152 372 372 PHE PHE A . n A 1 153 TYR 153 373 373 TYR TYR A . n A 1 154 PRO 154 374 374 PRO PRO A . n A 1 155 SER 155 375 375 SER SER A . n A 1 156 ASP 156 376 376 ASP ASP A . n A 1 157 ILE 157 377 377 ILE ILE A . n A 1 158 ALA 158 378 378 ALA ALA A . n A 1 159 VAL 159 379 379 VAL VAL A . n A 1 160 GLU 160 380 380 GLU GLU A . n A 1 161 TRP 161 381 381 TRP TRP A . n A 1 162 GLU 162 382 382 GLU GLU A . n A 1 163 SER 163 383 383 SER SER A . n A 1 164 ASN 164 384 384 ASN ASN A . n A 1 165 GLY 165 385 385 GLY GLY A . n A 1 166 GLN 166 386 386 GLN GLN A . n A 1 167 PRO 167 387 387 PRO PRO A . n A 1 168 GLU 168 388 388 GLU GLU A . n A 1 169 ASN 169 389 389 ASN ASN A . n A 1 170 ASN 170 390 390 ASN ASN A . n A 1 171 TYR 171 391 391 TYR TYR A . n A 1 172 LYS 172 392 392 LYS LYS A . n A 1 173 THR 173 393 393 THR THR A . n A 1 174 THR 174 394 394 THR THR A . n A 1 175 PRO 175 395 395 PRO PRO A . n A 1 176 PRO 176 396 396 PRO PRO A . n A 1 177 VAL 177 397 397 VAL VAL A . n A 1 178 LEU 178 398 398 LEU LEU A . n A 1 179 LYS 179 399 399 LYS LYS A . n A 1 180 SER 180 400 400 SER SER A . n A 1 181 ASP 181 401 401 ASP ASP A . n A 1 182 GLY 182 402 402 GLY GLY A . n A 1 183 SER 183 403 403 SER SER A . n A 1 184 PHE 184 404 404 PHE PHE A . n A 1 185 PHE 185 405 405 PHE PHE A . n A 1 186 LEU 186 406 406 LEU LEU A . n A 1 187 TYR 187 407 407 TYR TYR A . n A 1 188 SER 188 408 408 SER SER A . n A 1 189 LYS 189 409 409 LYS LYS A . n A 1 190 LEU 190 410 410 LEU LEU A . n A 1 191 THR 191 411 411 THR THR A . n A 1 192 VAL 192 412 412 VAL VAL A . n A 1 193 ASP 193 413 413 ASP ASP A . n A 1 194 LYS 194 414 414 LYS LYS A . n A 1 195 SER 195 415 415 SER SER A . n A 1 196 ARG 196 416 416 ARG ARG A . n A 1 197 TRP 197 417 417 TRP TRP A . n A 1 198 GLN 198 418 418 GLN GLN A . n A 1 199 GLN 199 419 419 GLN GLN A . n A 1 200 GLY 200 420 420 GLY GLY A . n A 1 201 ASN 201 421 421 ASN ASN A . n A 1 202 VAL 202 422 422 VAL VAL A . n A 1 203 PHE 203 423 423 PHE PHE A . n A 1 204 SER 204 424 424 SER SER A . n A 1 205 CYS 205 425 425 CYS CYS A . n A 1 206 SER 206 426 426 SER SER A . n A 1 207 VAL 207 427 427 VAL VAL A . n A 1 208 MET 208 428 428 MET MET A . n A 1 209 HIS 209 429 429 HIS HIS A . n A 1 210 GLU 210 430 430 GLU GLU A . n A 1 211 ALA 211 431 431 ALA ALA A . n A 1 212 LEU 212 432 432 LEU LEU A . n A 1 213 HIS 213 433 433 HIS HIS A . n A 1 214 ASN 214 434 434 ASN ASN A . n A 1 215 HIS 215 435 435 HIS HIS A . n A 1 216 TYR 216 436 436 TYR TYR A . n A 1 217 THR 217 437 437 THR THR A . n A 1 218 GLN 218 438 438 GLN GLN A . n A 1 219 LYS 219 439 439 LYS LYS A . n A 1 220 SER 220 440 440 SER SER A . n A 1 221 LEU 221 441 441 LEU LEU A . n A 1 222 SER 222 442 442 SER SER A . n A 1 223 LEU 223 443 443 LEU LEU A . n A 1 224 SER 224 444 ? ? ? A . n A 1 225 PRO 225 445 ? ? ? A . n A 1 226 GLY 226 446 ? ? ? A . n A 1 227 LYS 227 447 ? ? ? A . n B 2 1 HIS 1 208 ? ? ? B . n B 2 2 HIS 2 209 ? ? ? B . n B 2 3 HIS 3 210 ? ? ? B . n B 2 4 HIS 4 211 ? ? ? B . n B 2 5 HIS 5 212 ? ? ? B . n B 2 6 HIS 6 213 ? ? ? B . n B 2 7 HIS 7 214 ? ? ? B . n B 2 8 HIS 8 215 ? ? ? B . n B 2 9 SER 9 216 ? ? ? B . n B 2 10 GLY 10 217 ? ? ? B . n B 2 11 SER 11 218 ? ? ? B . n B 2 12 GLY 12 219 ? ? ? B . n B 2 13 SER 13 220 ? ? ? B . n B 2 14 ASP 14 221 ? ? ? B . n B 2 15 LYS 15 222 ? ? ? B . n B 2 16 THR 16 223 ? ? ? B . n B 2 17 HIS 17 224 ? ? ? B . n B 2 18 THR 18 225 ? ? ? B . n B 2 19 CYS 19 226 ? ? ? B . n B 2 20 PRO 20 227 ? ? ? B . n B 2 21 PRO 21 228 ? ? ? B . n B 2 22 CYS 22 229 ? ? ? B . n B 2 23 PRO 23 230 ? ? ? B . n B 2 24 ALA 24 231 ? ? ? B . n B 2 25 PRO 25 232 ? ? ? B . n B 2 26 GLU 26 233 ? ? ? B . n B 2 27 LEU 27 234 ? ? ? B . n B 2 28 LEU 28 235 ? ? ? B . n B 2 29 GLY 29 236 236 GLY GLY B . n B 2 30 GLY 30 237 237 GLY GLY B . n B 2 31 PRO 31 238 238 PRO PRO B . n B 2 32 SER 32 239 239 SER SER B . n B 2 33 VAL 33 240 240 VAL VAL B . n B 2 34 PHE 34 241 241 PHE PHE B . n B 2 35 LEU 35 242 242 LEU LEU B . n B 2 36 PHE 36 243 243 PHE PHE B . n B 2 37 PRO 37 244 244 PRO PRO B . n B 2 38 PRO 38 245 245 PRO PRO B . n B 2 39 LYS 39 246 246 LYS LYS B . n B 2 40 PRO 40 247 247 PRO PRO B . n B 2 41 LYS 41 248 248 LYS LYS B . n B 2 42 ASP 42 249 249 ASP ASP B . n B 2 43 THR 43 250 250 THR THR B . n B 2 44 LEU 44 251 251 LEU LEU B . n B 2 45 GLU 45 252 252 GLU GLU B . n B 2 46 ALA 46 253 253 ALA ALA B . n B 2 47 SER 47 254 254 SER SER B . n B 2 48 ARG 48 255 255 ARG ARG B . n B 2 49 THR 49 256 256 THR THR B . n B 2 50 PRO 50 257 257 PRO PRO B . n B 2 51 GLU 51 258 258 GLU GLU B . n B 2 52 VAL 52 259 259 VAL VAL B . n B 2 53 THR 53 260 260 THR THR B . n B 2 54 CYS 54 261 261 CYS CYS B . n B 2 55 VAL 55 262 262 VAL VAL B . n B 2 56 VAL 56 263 263 VAL VAL B . n B 2 57 VAL 57 264 264 VAL VAL B . n B 2 58 ASP 58 265 265 ASP ASP B . n B 2 59 VAL 59 266 266 VAL VAL B . n B 2 60 SER 60 267 267 SER SER B . n B 2 61 HIS 61 268 268 HIS HIS B . n B 2 62 GLU 62 269 269 GLU GLU B . n B 2 63 ASP 63 270 270 ASP ASP B . n B 2 64 PRO 64 271 271 PRO PRO B . n B 2 65 GLU 65 272 272 GLU GLU B . n B 2 66 VAL 66 273 273 VAL VAL B . n B 2 67 LYS 67 274 274 LYS LYS B . n B 2 68 PHE 68 275 275 PHE PHE B . n B 2 69 ASN 69 276 276 ASN ASN B . n B 2 70 TRP 70 277 277 TRP TRP B . n B 2 71 TYR 71 278 278 TYR TYR B . n B 2 72 VAL 72 279 279 VAL VAL B . n B 2 73 ASP 73 280 280 ASP ASP B . n B 2 74 GLY 74 281 281 GLY GLY B . n B 2 75 VAL 75 282 282 VAL VAL B . n B 2 76 GLU 76 283 283 GLU GLU B . n B 2 77 VAL 77 284 284 VAL VAL B . n B 2 78 HIS 78 285 285 HIS HIS B . n B 2 79 ASN 79 286 286 ASN ASN B . n B 2 80 ALA 80 287 287 ALA ALA B . n B 2 81 LYS 81 288 288 LYS LYS B . n B 2 82 THR 82 289 289 THR THR B . n B 2 83 LYS 83 290 290 LYS LYS B . n B 2 84 PRO 84 291 291 PRO PRO B . n B 2 85 ARG 85 292 292 ARG ARG B . n B 2 86 GLU 86 293 293 GLU GLU B . n B 2 87 GLU 87 294 294 GLU GLU B . n B 2 88 GLN 88 295 295 GLN GLN B . n B 2 89 TYR 89 296 296 TYR TYR B . n B 2 90 ASN 90 297 297 ASN ASN B . n B 2 91 SER 91 298 298 SER SER B . n B 2 92 THR 92 299 299 THR THR B . n B 2 93 TYR 93 300 300 TYR TYR B . n B 2 94 ARG 94 301 301 ARG ARG B . n B 2 95 VAL 95 302 302 VAL VAL B . n B 2 96 VAL 96 303 303 VAL VAL B . n B 2 97 SER 97 304 304 SER SER B . n B 2 98 VAL 98 305 305 VAL VAL B . n B 2 99 LEU 99 306 306 LEU LEU B . n B 2 100 THR 100 307 307 THR THR B . n B 2 101 VAL 101 308 308 VAL VAL B . n B 2 102 LEU 102 309 309 LEU LEU B . n B 2 103 HIS 103 310 310 HIS HIS B . n B 2 104 GLN 104 311 311 GLN GLN B . n B 2 105 ASP 105 312 312 ASP ASP B . n B 2 106 TRP 106 313 313 TRP TRP B . n B 2 107 LEU 107 314 314 LEU LEU B . n B 2 108 ASN 108 315 315 ASN ASN B . n B 2 109 GLY 109 316 316 GLY GLY B . n B 2 110 LYS 110 317 317 LYS LYS B . n B 2 111 GLU 111 318 318 GLU GLU B . n B 2 112 TYR 112 319 319 TYR TYR B . n B 2 113 LYS 113 320 320 LYS LYS B . n B 2 114 CYS 114 321 321 CYS CYS B . n B 2 115 LYS 115 322 322 LYS LYS B . n B 2 116 VAL 116 323 323 VAL VAL B . n B 2 117 SER 117 324 324 SER SER B . n B 2 118 ASN 118 325 325 ASN ASN B . n B 2 119 LYS 119 326 326 LYS LYS B . n B 2 120 ALA 120 327 327 ALA ALA B . n B 2 121 LEU 121 328 328 LEU LEU B . n B 2 122 PRO 122 329 329 PRO PRO B . n B 2 123 ALA 123 330 330 ALA ALA B . n B 2 124 PRO 124 331 331 PRO PRO B . n B 2 125 ILE 125 332 332 ILE ILE B . n B 2 126 GLU 126 333 333 GLU GLU B . n B 2 127 LYS 127 334 334 LYS LYS B . n B 2 128 THR 128 335 335 THR THR B . n B 2 129 ILE 129 336 336 ILE ILE B . n B 2 130 SER 130 337 337 SER SER B . n B 2 131 LYS 131 338 338 LYS LYS B . n B 2 132 ALA 132 339 339 ALA ALA B . n B 2 133 LYS 133 340 340 LYS LYS B . n B 2 134 GLY 134 341 341 GLY GLY B . n B 2 135 GLN 135 342 342 GLN GLN B . n B 2 136 PRO 136 343 343 PRO PRO B . n B 2 137 ARG 137 344 344 ARG ARG B . n B 2 138 GLU 138 345 345 GLU GLU B . n B 2 139 PRO 139 346 346 PRO PRO B . n B 2 140 GLN 140 347 347 GLN GLN B . n B 2 141 VAL 141 348 348 VAL VAL B . n B 2 142 TYR 142 349 349 TYR TYR B . n B 2 143 THR 143 350 350 THR THR B . n B 2 144 LEU 144 351 351 LEU LEU B . n B 2 145 PRO 145 352 352 PRO PRO B . n B 2 146 PRO 146 353 353 PRO PRO B . n B 2 147 SER 147 354 354 SER SER B . n B 2 148 ARG 148 355 355 ARG ARG B . n B 2 149 GLU 149 356 356 GLU GLU B . n B 2 150 GLU 150 357 357 GLU GLU B . n B 2 151 MET 151 358 358 MET MET B . n B 2 152 THR 152 359 359 THR THR B . n B 2 153 LYS 153 360 360 LYS LYS B . n B 2 154 ASN 154 361 361 ASN ASN B . n B 2 155 GLN 155 362 362 GLN GLN B . n B 2 156 VAL 156 363 363 VAL VAL B . n B 2 157 SER 157 364 364 SER SER B . n B 2 158 LEU 158 365 365 LEU LEU B . n B 2 159 THR 159 366 366 THR THR B . n B 2 160 CYS 160 367 367 CYS CYS B . n B 2 161 LEU 161 368 368 LEU LEU B . n B 2 162 VAL 162 369 369 VAL VAL B . n B 2 163 LYS 163 370 370 LYS LYS B . n B 2 164 GLY 164 371 371 GLY GLY B . n B 2 165 PHE 165 372 372 PHE PHE B . n B 2 166 TYR 166 373 373 TYR TYR B . n B 2 167 PRO 167 374 374 PRO PRO B . n B 2 168 SER 168 375 375 SER SER B . n B 2 169 ASP 169 376 376 ASP ASP B . n B 2 170 ILE 170 377 377 ILE ILE B . n B 2 171 ALA 171 378 378 ALA ALA B . n B 2 172 VAL 172 379 379 VAL VAL B . n B 2 173 GLU 173 380 380 GLU GLU B . n B 2 174 TRP 174 381 381 TRP TRP B . n B 2 175 GLU 175 382 382 GLU GLU B . n B 2 176 SER 176 383 383 SER SER B . n B 2 177 ASN 177 384 384 ASN ASN B . n B 2 178 GLY 178 385 385 GLY GLY B . n B 2 179 GLN 179 386 386 GLN GLN B . n B 2 180 PRO 180 387 387 PRO PRO B . n B 2 181 GLU 181 388 388 GLU GLU B . n B 2 182 ASN 182 389 389 ASN ASN B . n B 2 183 ASN 183 390 390 ASN ASN B . n B 2 184 TYR 184 391 391 TYR TYR B . n B 2 185 ASP 185 392 392 ASP ASP B . n B 2 186 THR 186 393 393 THR THR B . n B 2 187 THR 187 394 394 THR THR B . n B 2 188 PRO 188 395 395 PRO PRO B . n B 2 189 PRO 189 396 396 PRO PRO B . n B 2 190 VAL 190 397 397 VAL VAL B . n B 2 191 LEU 191 398 398 LEU LEU B . n B 2 192 ASP 192 399 399 ASP ASP B . n B 2 193 SER 193 400 400 SER SER B . n B 2 194 ASP 194 401 401 ASP ASP B . n B 2 195 GLY 195 402 402 GLY GLY B . n B 2 196 SER 196 403 403 SER SER B . n B 2 197 PHE 197 404 404 PHE PHE B . n B 2 198 PHE 198 405 405 PHE PHE B . n B 2 199 LEU 199 406 406 LEU LEU B . n B 2 200 TYR 200 407 407 TYR TYR B . n B 2 201 SER 201 408 408 SER SER B . n B 2 202 ASP 202 409 409 ASP ASP B . n B 2 203 LEU 203 410 410 LEU LEU B . n B 2 204 THR 204 411 411 THR THR B . n B 2 205 VAL 205 412 412 VAL VAL B . n B 2 206 ASP 206 413 413 ASP ASP B . n B 2 207 LYS 207 414 414 LYS LYS B . n B 2 208 SER 208 415 415 SER SER B . n B 2 209 ARG 209 416 416 ARG ARG B . n B 2 210 TRP 210 417 417 TRP TRP B . n B 2 211 GLN 211 418 418 GLN GLN B . n B 2 212 GLN 212 419 419 GLN GLN B . n B 2 213 GLY 213 420 420 GLY GLY B . n B 2 214 ASN 214 421 421 ASN ASN B . n B 2 215 VAL 215 422 422 VAL VAL B . n B 2 216 PHE 216 423 423 PHE PHE B . n B 2 217 SER 217 424 424 SER SER B . n B 2 218 CYS 218 425 425 CYS CYS B . n B 2 219 SER 219 426 426 SER SER B . n B 2 220 VAL 220 427 427 VAL VAL B . n B 2 221 MET 221 428 428 MET MET B . n B 2 222 HIS 222 429 429 HIS HIS B . n B 2 223 GLU 223 430 430 GLU GLU B . n B 2 224 ALA 224 431 431 ALA ALA B . n B 2 225 LEU 225 432 432 LEU LEU B . n B 2 226 HIS 226 433 433 HIS HIS B . n B 2 227 ASN 227 434 434 ASN ASN B . n B 2 228 ALA 228 435 435 ALA ALA B . n B 2 229 TYR 229 436 436 TYR TYR B . n B 2 230 THR 230 437 437 THR THR B . n B 2 231 GLN 231 438 438 GLN GLN B . n B 2 232 LYS 232 439 439 LYS LYS B . n B 2 233 SER 233 440 440 SER SER B . n B 2 234 LEU 234 441 441 LEU LEU B . n B 2 235 SER 235 442 442 SER SER B . n B 2 236 LEU 236 443 443 LEU LEU B . n B 2 237 SER 237 444 ? ? ? B . n B 2 238 PRO 238 445 ? ? ? B . n B 2 239 GLY 239 446 ? ? ? B . n B 2 240 LYS 240 447 ? ? ? B . n C 3 1 ASP 1 1 1 ASP ASP C . n C 3 2 CYS 2 2 2 CYS CYS C . n C 3 3 ALA 3 3 3 ALA ALA C . n C 3 4 TRP 4 4 4 TRP TRP C . n C 3 5 HIS 5 5 5 HIS HIS C . n C 3 6 LEU 6 6 6 LEU LEU C . n C 3 7 GLY 7 7 7 GLY GLY C . n C 3 8 GLU 8 8 8 GLU GLU C . n C 3 9 LEU 9 9 9 LEU LEU C . n C 3 10 VAL 10 10 10 VAL VAL C . n C 3 11 TRP 11 11 11 TRP TRP C . n C 3 12 CYS 12 12 12 CYS CYS C . n C 3 13 THR 13 13 13 THR THR C . n D 1 1 ASP 1 221 ? ? ? D . n D 1 2 LYS 2 222 ? ? ? D . n D 1 3 THR 3 223 ? ? ? D . n D 1 4 HIS 4 224 ? ? ? D . n D 1 5 THR 5 225 ? ? ? D . n D 1 6 CYS 6 226 ? ? ? D . n D 1 7 PRO 7 227 ? ? ? D . n D 1 8 PRO 8 228 ? ? ? D . n D 1 9 CYS 9 229 ? ? ? D . n D 1 10 PRO 10 230 ? ? ? D . n D 1 11 ALA 11 231 ? ? ? D . n D 1 12 PRO 12 232 ? ? ? D . n D 1 13 GLU 13 233 ? ? ? D . n D 1 14 LEU 14 234 ? ? ? D . n D 1 15 LEU 15 235 ? ? ? D . n D 1 16 GLY 16 236 ? ? ? D . n D 1 17 GLY 17 237 ? ? ? D . n D 1 18 PRO 18 238 ? ? ? D . n D 1 19 SER 19 239 ? ? ? D . n D 1 20 VAL 20 240 ? ? ? D . n D 1 21 PHE 21 241 ? ? ? D . n D 1 22 LEU 22 242 ? ? ? D . n D 1 23 PHE 23 243 ? ? ? D . n D 1 24 PRO 24 244 ? ? ? D . n D 1 25 PRO 25 245 ? ? ? D . n D 1 26 LYS 26 246 ? ? ? D . n D 1 27 PRO 27 247 ? ? ? D . n D 1 28 LYS 28 248 ? ? ? D . n D 1 29 ASP 29 249 ? ? ? D . n D 1 30 THR 30 250 ? ? ? D . n D 1 31 LEU 31 251 ? ? ? D . n D 1 32 MET 32 252 ? ? ? D . n D 1 33 ILE 33 253 ? ? ? D . n D 1 34 SER 34 254 ? ? ? D . n D 1 35 ARG 35 255 ? ? ? D . n D 1 36 THR 36 256 ? ? ? D . n D 1 37 PRO 37 257 ? ? ? D . n D 1 38 GLU 38 258 ? ? ? D . n D 1 39 VAL 39 259 ? ? ? D . n D 1 40 THR 40 260 ? ? ? D . n D 1 41 CYS 41 261 ? ? ? D . n D 1 42 VAL 42 262 ? ? ? D . n D 1 43 VAL 43 263 ? ? ? D . n D 1 44 VAL 44 264 ? ? ? D . n D 1 45 ASP 45 265 ? ? ? D . n D 1 46 VAL 46 266 ? ? ? D . n D 1 47 SER 47 267 ? ? ? D . n D 1 48 HIS 48 268 ? ? ? D . n D 1 49 GLU 49 269 ? ? ? D . n D 1 50 ASP 50 270 ? ? ? D . n D 1 51 PRO 51 271 ? ? ? D . n D 1 52 GLU 52 272 ? ? ? D . n D 1 53 VAL 53 273 ? ? ? D . n D 1 54 LYS 54 274 ? ? ? D . n D 1 55 PHE 55 275 ? ? ? D . n D 1 56 ASN 56 276 ? ? ? D . n D 1 57 TRP 57 277 ? ? ? D . n D 1 58 TYR 58 278 ? ? ? D . n D 1 59 VAL 59 279 ? ? ? D . n D 1 60 ASP 60 280 ? ? ? D . n D 1 61 GLY 61 281 ? ? ? D . n D 1 62 VAL 62 282 ? ? ? D . n D 1 63 GLU 63 283 ? ? ? D . n D 1 64 VAL 64 284 ? ? ? D . n D 1 65 HIS 65 285 ? ? ? D . n D 1 66 ASN 66 286 ? ? ? D . n D 1 67 ALA 67 287 ? ? ? D . n D 1 68 LYS 68 288 ? ? ? D . n D 1 69 THR 69 289 ? ? ? D . n D 1 70 LYS 70 290 ? ? ? D . n D 1 71 PRO 71 291 ? ? ? D . n D 1 72 ARG 72 292 ? ? ? D . n D 1 73 GLU 73 293 ? ? ? D . n D 1 74 GLU 74 294 ? ? ? D . n D 1 75 GLN 75 295 ? ? ? D . n D 1 76 TYR 76 296 ? ? ? D . n D 1 77 ASN 77 297 ? ? ? D . n D 1 78 SER 78 298 ? ? ? D . n D 1 79 THR 79 299 ? ? ? D . n D 1 80 TYR 80 300 ? ? ? D . n D 1 81 ARG 81 301 ? ? ? D . n D 1 82 VAL 82 302 ? ? ? D . n D 1 83 VAL 83 303 ? ? ? D . n D 1 84 SER 84 304 ? ? ? D . n D 1 85 VAL 85 305 ? ? ? D . n D 1 86 LEU 86 306 ? ? ? D . n D 1 87 THR 87 307 ? ? ? D . n D 1 88 VAL 88 308 ? ? ? D . n D 1 89 LEU 89 309 ? ? ? D . n D 1 90 HIS 90 310 ? ? ? D . n D 1 91 GLN 91 311 ? ? ? D . n D 1 92 ASP 92 312 ? ? ? D . n D 1 93 TRP 93 313 ? ? ? D . n D 1 94 LEU 94 314 ? ? ? D . n D 1 95 ASN 95 315 ? ? ? D . n D 1 96 GLY 96 316 ? ? ? D . n D 1 97 LYS 97 317 ? ? ? D . n D 1 98 GLU 98 318 ? ? ? D . n D 1 99 TYR 99 319 ? ? ? D . n D 1 100 LYS 100 320 ? ? ? D . n D 1 101 CYS 101 321 ? ? ? D . n D 1 102 LYS 102 322 ? ? ? D . n D 1 103 VAL 103 323 ? ? ? D . n D 1 104 SER 104 324 ? ? ? D . n D 1 105 ASN 105 325 ? ? ? D . n D 1 106 LYS 106 326 ? ? ? D . n D 1 107 ALA 107 327 ? ? ? D . n D 1 108 LEU 108 328 ? ? ? D . n D 1 109 PRO 109 329 ? ? ? D . n D 1 110 ALA 110 330 ? ? ? D . n D 1 111 PRO 111 331 ? ? ? D . n D 1 112 ILE 112 332 ? ? ? D . n D 1 113 GLU 113 333 ? ? ? D . n D 1 114 LYS 114 334 ? ? ? D . n D 1 115 THR 115 335 ? ? ? D . n D 1 116 ILE 116 336 ? ? ? D . n D 1 117 SER 117 337 ? ? ? D . n D 1 118 LYS 118 338 ? ? ? D . n D 1 119 ALA 119 339 ? ? ? D . n D 1 120 LYS 120 340 ? ? ? D . n D 1 121 GLY 121 341 ? ? ? D . n D 1 122 GLN 122 342 ? ? ? D . n D 1 123 PRO 123 343 ? ? ? D . n D 1 124 ARG 124 344 ? ? ? D . n D 1 125 GLU 125 345 ? ? ? D . n D 1 126 PRO 126 346 ? ? ? D . n D 1 127 GLN 127 347 ? ? ? D . n D 1 128 VAL 128 348 ? ? ? D . n D 1 129 TYR 129 349 ? ? ? D . n D 1 130 THR 130 350 ? ? ? D . n D 1 131 LEU 131 351 ? ? ? D . n D 1 132 PRO 132 352 ? ? ? D . n D 1 133 PRO 133 353 ? ? ? D . n D 1 134 SER 134 354 ? ? ? D . n D 1 135 ARG 135 355 ? ? ? D . n D 1 136 LYS 136 356 ? ? ? D . n D 1 137 GLU 137 357 ? ? ? D . n D 1 138 MET 138 358 ? ? ? D . n D 1 139 THR 139 359 ? ? ? D . n D 1 140 LYS 140 360 ? ? ? D . n D 1 141 ASN 141 361 ? ? ? D . n D 1 142 GLN 142 362 ? ? ? D . n D 1 143 VAL 143 363 ? ? ? D . n D 1 144 SER 144 364 ? ? ? D . n D 1 145 LEU 145 365 ? ? ? D . n D 1 146 THR 146 366 ? ? ? D . n D 1 147 CYS 147 367 ? ? ? D . n D 1 148 LEU 148 368 368 LEU LEU D . n D 1 149 VAL 149 369 369 VAL VAL D . n D 1 150 LYS 150 370 370 LYS LYS D . n D 1 151 GLY 151 371 371 GLY GLY D . n D 1 152 PHE 152 372 372 PHE PHE D . n D 1 153 TYR 153 373 ? ? ? D . n D 1 154 PRO 154 374 ? ? ? D . n D 1 155 SER 155 375 ? ? ? D . n D 1 156 ASP 156 376 ? ? ? D . n D 1 157 ILE 157 377 ? ? ? D . n D 1 158 ALA 158 378 ? ? ? D . n D 1 159 VAL 159 379 ? ? ? D . n D 1 160 GLU 160 380 ? ? ? D . n D 1 161 TRP 161 381 ? ? ? D . n D 1 162 GLU 162 382 ? ? ? D . n D 1 163 SER 163 383 ? ? ? D . n D 1 164 ASN 164 384 ? ? ? D . n D 1 165 GLY 165 385 ? ? ? D . n D 1 166 GLN 166 386 ? ? ? D . n D 1 167 PRO 167 387 ? ? ? D . n D 1 168 GLU 168 388 ? ? ? D . n D 1 169 ASN 169 389 ? ? ? D . n D 1 170 ASN 170 390 ? ? ? D . n D 1 171 TYR 171 391 ? ? ? D . n D 1 172 LYS 172 392 392 LYS LYS D . n D 1 173 THR 173 393 393 THR THR D . n D 1 174 THR 174 394 394 THR THR D . n D 1 175 PRO 175 395 395 PRO PRO D . n D 1 176 PRO 176 396 396 PRO PRO D . n D 1 177 VAL 177 397 397 VAL VAL D . n D 1 178 LEU 178 398 398 LEU LEU D . n D 1 179 LYS 179 399 399 LYS LYS D . n D 1 180 SER 180 400 400 SER SER D . n D 1 181 ASP 181 401 401 ASP ASP D . n D 1 182 GLY 182 402 402 GLY GLY D . n D 1 183 SER 183 403 403 SER SER D . n D 1 184 PHE 184 404 404 PHE PHE D . n D 1 185 PHE 185 405 405 PHE PHE D . n D 1 186 LEU 186 406 406 LEU LEU D . n D 1 187 TYR 187 407 407 TYR TYR D . n D 1 188 SER 188 408 ? ? ? D . n D 1 189 LYS 189 409 ? ? ? D . n D 1 190 LEU 190 410 ? ? ? D . n D 1 191 THR 191 411 ? ? ? D . n D 1 192 VAL 192 412 ? ? ? D . n D 1 193 ASP 193 413 ? ? ? D . n D 1 194 LYS 194 414 ? ? ? D . n D 1 195 SER 195 415 ? ? ? D . n D 1 196 ARG 196 416 ? ? ? D . n D 1 197 TRP 197 417 ? ? ? D . n D 1 198 GLN 198 418 ? ? ? D . n D 1 199 GLN 199 419 ? ? ? D . n D 1 200 GLY 200 420 ? ? ? D . n D 1 201 ASN 201 421 ? ? ? D . n D 1 202 VAL 202 422 ? ? ? D . n D 1 203 PHE 203 423 ? ? ? D . n D 1 204 SER 204 424 ? ? ? D . n D 1 205 CYS 205 425 ? ? ? D . n D 1 206 SER 206 426 ? ? ? D . n D 1 207 VAL 207 427 ? ? ? D . n D 1 208 MET 208 428 ? ? ? D . n D 1 209 HIS 209 429 ? ? ? D . n D 1 210 GLU 210 430 ? ? ? D . n D 1 211 ALA 211 431 ? ? ? D . n D 1 212 LEU 212 432 ? ? ? D . n D 1 213 HIS 213 433 ? ? ? D . n D 1 214 ASN 214 434 ? ? ? D . n D 1 215 HIS 215 435 ? ? ? D . n D 1 216 TYR 216 436 ? ? ? D . n D 1 217 THR 217 437 ? ? ? D . n D 1 218 GLN 218 438 ? ? ? D . n D 1 219 LYS 219 439 ? ? ? D . n D 1 220 SER 220 440 ? ? ? D . n D 1 221 LEU 221 441 ? ? ? D . n D 1 222 SER 222 442 ? ? ? D . n D 1 223 LEU 223 443 ? ? ? D . n D 1 224 SER 224 444 ? ? ? D . n D 1 225 PRO 225 445 ? ? ? D . n D 1 226 GLY 226 446 ? ? ? D . n D 1 227 LYS 227 447 ? ? ? D . n E 2 1 HIS 1 208 ? ? ? E . n E 2 2 HIS 2 209 ? ? ? E . n E 2 3 HIS 3 210 ? ? ? E . n E 2 4 HIS 4 211 ? ? ? E . n E 2 5 HIS 5 212 ? ? ? E . n E 2 6 HIS 6 213 ? ? ? E . n E 2 7 HIS 7 214 ? ? ? E . n E 2 8 HIS 8 215 ? ? ? E . n E 2 9 SER 9 216 ? ? ? E . n E 2 10 GLY 10 217 ? ? ? E . n E 2 11 SER 11 218 ? ? ? E . n E 2 12 GLY 12 219 ? ? ? E . n E 2 13 SER 13 220 ? ? ? E . n E 2 14 ASP 14 221 ? ? ? E . n E 2 15 LYS 15 222 ? ? ? E . n E 2 16 THR 16 223 ? ? ? E . n E 2 17 HIS 17 224 ? ? ? E . n E 2 18 THR 18 225 ? ? ? E . n E 2 19 CYS 19 226 ? ? ? E . n E 2 20 PRO 20 227 ? ? ? E . n E 2 21 PRO 21 228 ? ? ? E . n E 2 22 CYS 22 229 ? ? ? E . n E 2 23 PRO 23 230 ? ? ? E . n E 2 24 ALA 24 231 ? ? ? E . n E 2 25 PRO 25 232 ? ? ? E . n E 2 26 GLU 26 233 ? ? ? E . n E 2 27 LEU 27 234 ? ? ? E . n E 2 28 LEU 28 235 ? ? ? E . n E 2 29 GLY 29 236 ? ? ? E . n E 2 30 GLY 30 237 ? ? ? E . n E 2 31 PRO 31 238 238 PRO PRO E . n E 2 32 SER 32 239 239 SER SER E . n E 2 33 VAL 33 240 240 VAL VAL E . n E 2 34 PHE 34 241 241 PHE PHE E . n E 2 35 LEU 35 242 242 LEU LEU E . n E 2 36 PHE 36 243 243 PHE PHE E . n E 2 37 PRO 37 244 244 PRO PRO E . n E 2 38 PRO 38 245 245 PRO PRO E . n E 2 39 LYS 39 246 246 LYS LYS E . n E 2 40 PRO 40 247 247 PRO PRO E . n E 2 41 LYS 41 248 248 LYS LYS E . n E 2 42 ASP 42 249 249 ASP ASP E . n E 2 43 THR 43 250 250 THR THR E . n E 2 44 LEU 44 251 251 LEU LEU E . n E 2 45 GLU 45 252 252 GLU GLU E . n E 2 46 ALA 46 253 253 ALA ALA E . n E 2 47 SER 47 254 254 SER SER E . n E 2 48 ARG 48 255 255 ARG ARG E . n E 2 49 THR 49 256 256 THR THR E . n E 2 50 PRO 50 257 257 PRO PRO E . n E 2 51 GLU 51 258 258 GLU GLU E . n E 2 52 VAL 52 259 259 VAL VAL E . n E 2 53 THR 53 260 260 THR THR E . n E 2 54 CYS 54 261 261 CYS CYS E . n E 2 55 VAL 55 262 262 VAL VAL E . n E 2 56 VAL 56 263 263 VAL VAL E . n E 2 57 VAL 57 264 264 VAL VAL E . n E 2 58 ASP 58 265 265 ASP ASP E . n E 2 59 VAL 59 266 266 VAL VAL E . n E 2 60 SER 60 267 267 SER SER E . n E 2 61 HIS 61 268 268 HIS HIS E . n E 2 62 GLU 62 269 269 GLU GLU E . n E 2 63 ASP 63 270 270 ASP ASP E . n E 2 64 PRO 64 271 271 PRO PRO E . n E 2 65 GLU 65 272 272 GLU GLU E . n E 2 66 VAL 66 273 273 VAL VAL E . n E 2 67 LYS 67 274 274 LYS LYS E . n E 2 68 PHE 68 275 275 PHE PHE E . n E 2 69 ASN 69 276 276 ASN ASN E . n E 2 70 TRP 70 277 277 TRP TRP E . n E 2 71 TYR 71 278 278 TYR TYR E . n E 2 72 VAL 72 279 279 VAL VAL E . n E 2 73 ASP 73 280 280 ASP ASP E . n E 2 74 GLY 74 281 281 GLY GLY E . n E 2 75 VAL 75 282 282 VAL VAL E . n E 2 76 GLU 76 283 283 GLU GLU E . n E 2 77 VAL 77 284 284 VAL VAL E . n E 2 78 HIS 78 285 285 HIS HIS E . n E 2 79 ASN 79 286 286 ASN ASN E . n E 2 80 ALA 80 287 287 ALA ALA E . n E 2 81 LYS 81 288 288 LYS LYS E . n E 2 82 THR 82 289 289 THR THR E . n E 2 83 LYS 83 290 290 LYS LYS E . n E 2 84 PRO 84 291 291 PRO PRO E . n E 2 85 ARG 85 292 292 ARG ARG E . n E 2 86 GLU 86 293 293 GLU GLU E . n E 2 87 GLU 87 294 294 GLU GLU E . n E 2 88 GLN 88 295 295 GLN GLN E . n E 2 89 TYR 89 296 296 TYR TYR E . n E 2 90 ASN 90 297 297 ASN ASN E . n E 2 91 SER 91 298 298 SER SER E . n E 2 92 THR 92 299 299 THR THR E . n E 2 93 TYR 93 300 300 TYR TYR E . n E 2 94 ARG 94 301 301 ARG ARG E . n E 2 95 VAL 95 302 302 VAL VAL E . n E 2 96 VAL 96 303 303 VAL VAL E . n E 2 97 SER 97 304 304 SER SER E . n E 2 98 VAL 98 305 305 VAL VAL E . n E 2 99 LEU 99 306 306 LEU LEU E . n E 2 100 THR 100 307 307 THR THR E . n E 2 101 VAL 101 308 308 VAL VAL E . n E 2 102 LEU 102 309 309 LEU LEU E . n E 2 103 HIS 103 310 310 HIS HIS E . n E 2 104 GLN 104 311 311 GLN GLN E . n E 2 105 ASP 105 312 312 ASP ASP E . n E 2 106 TRP 106 313 313 TRP TRP E . n E 2 107 LEU 107 314 314 LEU LEU E . n E 2 108 ASN 108 315 315 ASN ASN E . n E 2 109 GLY 109 316 316 GLY GLY E . n E 2 110 LYS 110 317 317 LYS LYS E . n E 2 111 GLU 111 318 318 GLU GLU E . n E 2 112 TYR 112 319 319 TYR TYR E . n E 2 113 LYS 113 320 320 LYS LYS E . n E 2 114 CYS 114 321 321 CYS CYS E . n E 2 115 LYS 115 322 322 LYS LYS E . n E 2 116 VAL 116 323 323 VAL VAL E . n E 2 117 SER 117 324 324 SER SER E . n E 2 118 ASN 118 325 325 ASN ASN E . n E 2 119 LYS 119 326 326 LYS LYS E . n E 2 120 ALA 120 327 327 ALA ALA E . n E 2 121 LEU 121 328 328 LEU LEU E . n E 2 122 PRO 122 329 329 PRO PRO E . n E 2 123 ALA 123 330 330 ALA ALA E . n E 2 124 PRO 124 331 331 PRO PRO E . n E 2 125 ILE 125 332 332 ILE ILE E . n E 2 126 GLU 126 333 333 GLU GLU E . n E 2 127 LYS 127 334 334 LYS LYS E . n E 2 128 THR 128 335 335 THR THR E . n E 2 129 ILE 129 336 336 ILE ILE E . n E 2 130 SER 130 337 337 SER SER E . n E 2 131 LYS 131 338 338 LYS LYS E . n E 2 132 ALA 132 339 339 ALA ALA E . n E 2 133 LYS 133 340 340 LYS LYS E . n E 2 134 GLY 134 341 341 GLY GLY E . n E 2 135 GLN 135 342 342 GLN GLN E . n E 2 136 PRO 136 343 343 PRO PRO E . n E 2 137 ARG 137 344 344 ARG ARG E . n E 2 138 GLU 138 345 345 GLU GLU E . n E 2 139 PRO 139 346 346 PRO PRO E . n E 2 140 GLN 140 347 347 GLN GLN E . n E 2 141 VAL 141 348 348 VAL VAL E . n E 2 142 TYR 142 349 349 TYR TYR E . n E 2 143 THR 143 350 350 THR THR E . n E 2 144 LEU 144 351 ? ? ? E . n E 2 145 PRO 145 352 ? ? ? E . n E 2 146 PRO 146 353 ? ? ? E . n E 2 147 SER 147 354 ? ? ? E . n E 2 148 ARG 148 355 ? ? ? E . n E 2 149 GLU 149 356 ? ? ? E . n E 2 150 GLU 150 357 ? ? ? E . n E 2 151 MET 151 358 ? ? ? E . n E 2 152 THR 152 359 ? ? ? E . n E 2 153 LYS 153 360 ? ? ? E . n E 2 154 ASN 154 361 ? ? ? E . n E 2 155 GLN 155 362 ? ? ? E . n E 2 156 VAL 156 363 ? ? ? E . n E 2 157 SER 157 364 ? ? ? E . n E 2 158 LEU 158 365 ? ? ? E . n E 2 159 THR 159 366 ? ? ? E . n E 2 160 CYS 160 367 367 CYS CYS E . n E 2 161 LEU 161 368 368 LEU LEU E . n E 2 162 VAL 162 369 369 VAL VAL E . n E 2 163 LYS 163 370 370 LYS LYS E . n E 2 164 GLY 164 371 371 GLY GLY E . n E 2 165 PHE 165 372 372 PHE PHE E . n E 2 166 TYR 166 373 373 TYR TYR E . n E 2 167 PRO 167 374 374 PRO PRO E . n E 2 168 SER 168 375 375 SER SER E . n E 2 169 ASP 169 376 376 ASP ASP E . n E 2 170 ILE 170 377 377 ILE ILE E . n E 2 171 ALA 171 378 378 ALA ALA E . n E 2 172 VAL 172 379 379 VAL VAL E . n E 2 173 GLU 173 380 380 GLU GLU E . n E 2 174 TRP 174 381 381 TRP TRP E . n E 2 175 GLU 175 382 ? ? ? E . n E 2 176 SER 176 383 ? ? ? E . n E 2 177 ASN 177 384 ? ? ? E . n E 2 178 GLY 178 385 ? ? ? E . n E 2 179 GLN 179 386 ? ? ? E . n E 2 180 PRO 180 387 ? ? ? E . n E 2 181 GLU 181 388 ? ? ? E . n E 2 182 ASN 182 389 ? ? ? E . n E 2 183 ASN 183 390 ? ? ? E . n E 2 184 TYR 184 391 391 TYR TYR E . n E 2 185 ASP 185 392 392 ASP ASP E . n E 2 186 THR 186 393 393 THR THR E . n E 2 187 THR 187 394 394 THR THR E . n E 2 188 PRO 188 395 395 PRO PRO E . n E 2 189 PRO 189 396 396 PRO PRO E . n E 2 190 VAL 190 397 397 VAL VAL E . n E 2 191 LEU 191 398 398 LEU LEU E . n E 2 192 ASP 192 399 399 ASP ASP E . n E 2 193 SER 193 400 400 SER SER E . n E 2 194 ASP 194 401 401 ASP ASP E . n E 2 195 GLY 195 402 402 GLY GLY E . n E 2 196 SER 196 403 403 SER SER E . n E 2 197 PHE 197 404 404 PHE PHE E . n E 2 198 PHE 198 405 405 PHE PHE E . n E 2 199 LEU 199 406 406 LEU LEU E . n E 2 200 TYR 200 407 407 TYR TYR E . n E 2 201 SER 201 408 ? ? ? E . n E 2 202 ASP 202 409 ? ? ? E . n E 2 203 LEU 203 410 ? ? ? E . n E 2 204 THR 204 411 ? ? ? E . n E 2 205 VAL 205 412 ? ? ? E . n E 2 206 ASP 206 413 ? ? ? E . n E 2 207 LYS 207 414 ? ? ? E . n E 2 208 SER 208 415 ? ? ? E . n E 2 209 ARG 209 416 ? ? ? E . n E 2 210 TRP 210 417 ? ? ? E . n E 2 211 GLN 211 418 ? ? ? E . n E 2 212 GLN 212 419 ? ? ? E . n E 2 213 GLY 213 420 ? ? ? E . n E 2 214 ASN 214 421 ? ? ? E . n E 2 215 VAL 215 422 ? ? ? E . n E 2 216 PHE 216 423 ? ? ? E . n E 2 217 SER 217 424 424 SER SER E . n E 2 218 CYS 218 425 425 CYS CYS E . n E 2 219 SER 219 426 426 SER SER E . n E 2 220 VAL 220 427 427 VAL VAL E . n E 2 221 MET 221 428 428 MET MET E . n E 2 222 HIS 222 429 429 HIS HIS E . n E 2 223 GLU 223 430 430 GLU GLU E . n E 2 224 ALA 224 431 431 ALA ALA E . n E 2 225 LEU 225 432 432 LEU LEU E . n E 2 226 HIS 226 433 433 HIS HIS E . n E 2 227 ASN 227 434 434 ASN ASN E . n E 2 228 ALA 228 435 435 ALA ALA E . n E 2 229 TYR 229 436 436 TYR TYR E . n E 2 230 THR 230 437 437 THR THR E . n E 2 231 GLN 231 438 ? ? ? E . n E 2 232 LYS 232 439 ? ? ? E . n E 2 233 SER 233 440 ? ? ? E . n E 2 234 LEU 234 441 ? ? ? E . n E 2 235 SER 235 442 ? ? ? E . n E 2 236 LEU 236 443 ? ? ? E . n E 2 237 SER 237 444 ? ? ? E . n E 2 238 PRO 238 445 ? ? ? E . n E 2 239 GLY 239 446 ? ? ? E . n E 2 240 LYS 240 447 ? ? ? E . 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 F 4 NAG 1 501 1 NAG NAG A . G 4 NAG 2 502 2 NAG NAG A . H 5 BMA 3 503 3 BMA BMA A . I 6 MAN 4 504 4 MAN MAN A . J 4 NAG 5 505 5 NAG NAG A . K 7 GAL 6 506 6 GAL GAL A . L 6 MAN 7 507 7 MAN MAN A . M 8 FUC 8 508 21 FUC FUC A . N 4 NAG 1 501 8 NAG NAG B . O 4 NAG 2 502 9 NAG NAG B . P 5 BMA 3 503 10 BMA BMA B . Q 6 MAN 4 504 11 MAN MAN B . R 4 NAG 5 505 12 NAG NAG B . S 7 GAL 6 506 13 GAL GAL B . T 6 MAN 7 507 14 MAN MAN B . U 8 FUC 8 508 15 FUC FUC B . V 5 BMA 1 501 16 BMA BMA E . W 6 MAN 2 502 17 MAN MAN E . X 4 NAG 3 503 18 NAG NAG E . Y 7 GAL 4 504 19 GAL GAL E . Z 6 MAN 5 505 20 MAN MAN E . AA 4 NAG 6 506 22 NAG NAG E . BA 4 NAG 7 507 23 NAG NAG E . CA 9 HOH 1 601 48 HOH HOH A . CA 9 HOH 2 602 93 HOH HOH A . CA 9 HOH 3 603 39 HOH HOH A . CA 9 HOH 4 604 12 HOH HOH A . CA 9 HOH 5 605 28 HOH HOH A . CA 9 HOH 6 606 101 HOH HOH A . CA 9 HOH 7 607 6 HOH HOH A . CA 9 HOH 8 608 53 HOH HOH A . CA 9 HOH 9 609 30 HOH HOH A . CA 9 HOH 10 610 20 HOH HOH A . CA 9 HOH 11 611 10 HOH HOH A . CA 9 HOH 12 612 69 HOH HOH A . CA 9 HOH 13 613 49 HOH HOH A . CA 9 HOH 14 614 29 HOH HOH A . CA 9 HOH 15 615 4 HOH HOH A . CA 9 HOH 16 616 37 HOH HOH A . CA 9 HOH 17 617 40 HOH HOH A . CA 9 HOH 18 618 34 HOH HOH A . CA 9 HOH 19 619 1 HOH HOH A . CA 9 HOH 20 620 15 HOH HOH A . CA 9 HOH 21 621 11 HOH HOH A . CA 9 HOH 22 622 19 HOH HOH A . CA 9 HOH 23 623 35 HOH HOH A . CA 9 HOH 24 624 18 HOH HOH A . CA 9 HOH 25 625 86 HOH HOH A . CA 9 HOH 26 626 51 HOH HOH A . CA 9 HOH 27 627 80 HOH HOH A . CA 9 HOH 28 628 47 HOH HOH A . CA 9 HOH 29 629 13 HOH HOH A . CA 9 HOH 30 630 33 HOH HOH A . CA 9 HOH 31 631 71 HOH HOH A . CA 9 HOH 32 632 94 HOH HOH A . CA 9 HOH 33 633 42 HOH HOH A . CA 9 HOH 34 634 55 HOH HOH A . CA 9 HOH 35 635 85 HOH HOH A . CA 9 HOH 36 636 31 HOH HOH A . CA 9 HOH 37 637 61 HOH HOH A . CA 9 HOH 38 638 26 HOH HOH A . CA 9 HOH 39 639 63 HOH HOH A . CA 9 HOH 40 640 83 HOH HOH A . CA 9 HOH 41 641 58 HOH HOH A . CA 9 HOH 42 642 68 HOH HOH A . CA 9 HOH 43 643 54 HOH HOH A . CA 9 HOH 44 644 62 HOH HOH A . CA 9 HOH 45 645 22 HOH HOH A . CA 9 HOH 46 646 38 HOH HOH A . DA 9 HOH 1 601 76 HOH HOH B . DA 9 HOH 2 602 65 HOH HOH B . DA 9 HOH 3 603 73 HOH HOH B . DA 9 HOH 4 604 57 HOH HOH B . DA 9 HOH 5 605 90 HOH HOH B . DA 9 HOH 6 606 16 HOH HOH B . DA 9 HOH 7 607 103 HOH HOH B . DA 9 HOH 8 608 14 HOH HOH B . DA 9 HOH 9 609 67 HOH HOH B . DA 9 HOH 10 610 2 HOH HOH B . DA 9 HOH 11 611 24 HOH HOH B . DA 9 HOH 12 612 75 HOH HOH B . DA 9 HOH 13 613 78 HOH HOH B . DA 9 HOH 14 614 46 HOH HOH B . DA 9 HOH 15 615 5 HOH HOH B . DA 9 HOH 16 616 3 HOH HOH B . DA 9 HOH 17 617 7 HOH HOH B . DA 9 HOH 18 618 32 HOH HOH B . DA 9 HOH 19 619 56 HOH HOH B . DA 9 HOH 20 620 41 HOH HOH B . DA 9 HOH 21 621 52 HOH HOH B . DA 9 HOH 22 622 27 HOH HOH B . DA 9 HOH 23 623 100 HOH HOH B . DA 9 HOH 24 624 98 HOH HOH B . DA 9 HOH 25 625 8 HOH HOH B . DA 9 HOH 26 626 66 HOH HOH B . DA 9 HOH 27 627 72 HOH HOH B . DA 9 HOH 28 628 64 HOH HOH B . DA 9 HOH 29 629 104 HOH HOH B . DA 9 HOH 30 630 23 HOH HOH B . DA 9 HOH 31 631 59 HOH HOH B . DA 9 HOH 32 632 17 HOH HOH B . DA 9 HOH 33 633 88 HOH HOH B . DA 9 HOH 34 634 74 HOH HOH B . DA 9 HOH 35 635 60 HOH HOH B . DA 9 HOH 36 636 36 HOH HOH B . DA 9 HOH 37 637 89 HOH HOH B . DA 9 HOH 38 638 45 HOH HOH B . DA 9 HOH 39 639 43 HOH HOH B . DA 9 HOH 40 640 102 HOH HOH B . DA 9 HOH 41 641 50 HOH HOH B . DA 9 HOH 42 642 70 HOH HOH B . DA 9 HOH 43 643 84 HOH HOH B . DA 9 HOH 44 644 105 HOH HOH B . DA 9 HOH 45 645 95 HOH HOH B . DA 9 HOH 46 646 99 HOH HOH B . DA 9 HOH 47 647 77 HOH HOH B . DA 9 HOH 48 648 91 HOH HOH B . DA 9 HOH 49 649 81 HOH HOH B . EA 9 HOH 1 601 44 HOH HOH E . EA 9 HOH 2 602 25 HOH HOH E . EA 9 HOH 3 603 9 HOH HOH E . EA 9 HOH 4 604 21 HOH HOH E . EA 9 HOH 5 605 96 HOH HOH E . EA 9 HOH 6 606 87 HOH HOH E . EA 9 HOH 7 607 79 HOH HOH E . EA 9 HOH 8 608 82 HOH HOH E . EA 9 HOH 9 609 92 HOH HOH E . EA 9 HOH 10 610 97 HOH HOH E . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA trimeric 3 2 author_and_software_defined_assembly PISA dimeric 2 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,CA,DA 2 1 D,E,V,W,X,Y,Z,AA,BA,EA # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 8470 ? 1 MORE 51 ? 1 'SSA (A^2)' 21430 ? 2 'ABSA (A^2)' 2840 ? 2 MORE 16 ? 2 'SSA (A^2)' 10460 ? # _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 2016-03-30 2 'Structure model' 1 1 2016-04-27 # _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 ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.7.0017 1 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALA ? ? ? 3.3.20 2 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15 3 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? iMOSFLM ? ? ? . 4 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 5 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 ND2 _pdbx_validate_close_contact.auth_asym_id_1 E _pdbx_validate_close_contact.auth_comp_id_1 ASN _pdbx_validate_close_contact.auth_seq_id_1 297 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 C2 _pdbx_validate_close_contact.auth_asym_id_2 E _pdbx_validate_close_contact.auth_comp_id_2 NAG _pdbx_validate_close_contact.auth_seq_id_2 506 _pdbx_validate_close_contact.PDB_ins_code_2 ? _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.08 # 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 ASP A 270 ? ? -108.85 76.09 2 1 LYS A 356 ? ? -59.97 -6.66 3 1 PRO A 374 ? ? -68.16 -178.94 4 1 ARG B 292 ? ? -29.24 134.84 5 1 SER B 298 ? ? 88.11 -1.24 6 1 HIS B 429 ? ? -171.14 148.25 7 1 VAL C 10 ? ? -90.03 -62.53 8 1 SER D 400 ? ? -94.79 42.36 9 1 ASP E 270 ? ? -115.50 76.77 10 1 ASN E 297 ? ? 78.40 -40.43 11 1 PRO E 329 ? ? -45.74 -83.61 12 1 ASN E 434 ? ? 57.09 15.34 # 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 A GLU 272 ? CG ? A GLU 52 CG 2 1 Y 1 A GLU 272 ? CD ? A GLU 52 CD 3 1 Y 1 A GLU 272 ? OE1 ? A GLU 52 OE1 4 1 Y 1 A GLU 272 ? OE2 ? A GLU 52 OE2 5 1 Y 1 A LYS 288 ? NZ ? A LYS 68 NZ 6 1 Y 1 A LYS 290 ? CD ? A LYS 70 CD 7 1 Y 1 A LYS 290 ? CE ? A LYS 70 CE 8 1 Y 1 A LYS 290 ? NZ ? A LYS 70 NZ 9 1 Y 1 A ARG 355 ? CG ? A ARG 135 CG 10 1 Y 1 A ARG 355 ? CD ? A ARG 135 CD 11 1 Y 1 A ARG 355 ? NE ? A ARG 135 NE 12 1 Y 1 A ARG 355 ? CZ ? A ARG 135 CZ 13 1 Y 1 A ARG 355 ? NH1 ? A ARG 135 NH1 14 1 Y 1 A ARG 355 ? NH2 ? A ARG 135 NH2 15 1 Y 1 A LYS 356 ? CE ? A LYS 136 CE 16 1 Y 1 A LYS 356 ? NZ ? A LYS 136 NZ 17 1 Y 1 A LYS 360 ? CD ? A LYS 140 CD 18 1 Y 1 A LYS 360 ? CE ? A LYS 140 CE 19 1 Y 1 A LYS 360 ? NZ ? A LYS 140 NZ 20 1 Y 1 A LYS 414 ? CD ? A LYS 194 CD 21 1 Y 1 A LYS 414 ? CE ? A LYS 194 CE 22 1 Y 1 A LYS 414 ? NZ ? A LYS 194 NZ 23 1 Y 1 B LYS 248 ? CE ? B LYS 41 CE 24 1 Y 1 B LYS 248 ? NZ ? B LYS 41 NZ 25 1 Y 1 B LYS 288 ? CE ? B LYS 81 CE 26 1 Y 1 B LYS 288 ? NZ ? B LYS 81 NZ 27 1 Y 1 B GLN 342 ? CG ? B GLN 135 CG 28 1 Y 1 B GLN 342 ? CD ? B GLN 135 CD 29 1 Y 1 B GLN 342 ? OE1 ? B GLN 135 OE1 30 1 Y 1 B GLN 342 ? NE2 ? B GLN 135 NE2 31 1 Y 1 B ARG 355 ? CG ? B ARG 148 CG 32 1 Y 1 B ARG 355 ? CD ? B ARG 148 CD 33 1 Y 1 B ARG 355 ? NE ? B ARG 148 NE 34 1 Y 1 B ARG 355 ? CZ ? B ARG 148 CZ 35 1 Y 1 B ARG 355 ? NH1 ? B ARG 148 NH1 36 1 Y 1 B ARG 355 ? NH2 ? B ARG 148 NH2 37 1 Y 1 B LYS 360 ? CD ? B LYS 153 CD 38 1 Y 1 B LYS 360 ? CE ? B LYS 153 CE 39 1 Y 1 B LYS 360 ? NZ ? B LYS 153 NZ 40 1 Y 1 D LEU 368 ? CG ? D LEU 148 CG 41 1 Y 1 D LEU 368 ? CD1 ? D LEU 148 CD1 42 1 Y 1 D LEU 368 ? CD2 ? D LEU 148 CD2 43 1 Y 1 D LYS 370 ? CG ? D LYS 150 CG 44 1 Y 1 D LYS 370 ? CD ? D LYS 150 CD 45 1 Y 1 D LYS 370 ? CE ? D LYS 150 CE 46 1 Y 1 D LYS 370 ? NZ ? D LYS 150 NZ 47 1 Y 1 D PHE 372 ? CG ? D PHE 152 CG 48 1 Y 1 D PHE 372 ? CD1 ? D PHE 152 CD1 49 1 Y 1 D PHE 372 ? CD2 ? D PHE 152 CD2 50 1 Y 1 D PHE 372 ? CE1 ? D PHE 152 CE1 51 1 Y 1 D PHE 372 ? CE2 ? D PHE 152 CE2 52 1 Y 1 D PHE 372 ? CZ ? D PHE 152 CZ 53 1 Y 1 D LYS 392 ? CG ? D LYS 172 CG 54 1 Y 1 D LYS 392 ? CD ? D LYS 172 CD 55 1 Y 1 D LYS 392 ? CE ? D LYS 172 CE 56 1 Y 1 D LYS 392 ? NZ ? D LYS 172 NZ 57 1 Y 1 D LYS 399 ? CG ? D LYS 179 CG 58 1 Y 1 D LYS 399 ? CD ? D LYS 179 CD 59 1 Y 1 D LYS 399 ? CE ? D LYS 179 CE 60 1 Y 1 D LYS 399 ? NZ ? D LYS 179 NZ 61 1 Y 1 D SER 400 ? OG ? D SER 180 OG 62 1 Y 1 D PHE 404 ? CG ? D PHE 184 CG 63 1 Y 1 D PHE 404 ? CD1 ? D PHE 184 CD1 64 1 Y 1 D PHE 404 ? CD2 ? D PHE 184 CD2 65 1 Y 1 D PHE 404 ? CE1 ? D PHE 184 CE1 66 1 Y 1 D PHE 404 ? CE2 ? D PHE 184 CE2 67 1 Y 1 D PHE 404 ? CZ ? D PHE 184 CZ 68 1 Y 1 E SER 239 ? OG ? E SER 32 OG 69 1 Y 1 E LYS 246 ? CD ? E LYS 39 CD 70 1 Y 1 E LYS 246 ? CE ? E LYS 39 CE 71 1 Y 1 E LYS 246 ? NZ ? E LYS 39 NZ 72 1 Y 1 E LYS 248 ? CD ? E LYS 41 CD 73 1 Y 1 E LYS 248 ? CE ? E LYS 41 CE 74 1 Y 1 E LYS 248 ? NZ ? E LYS 41 NZ 75 1 Y 1 E GLU 269 ? CG ? E GLU 62 CG 76 1 Y 1 E GLU 269 ? CD ? E GLU 62 CD 77 1 Y 1 E GLU 269 ? OE1 ? E GLU 62 OE1 78 1 Y 1 E GLU 269 ? OE2 ? E GLU 62 OE2 79 1 Y 1 E GLU 272 ? CG ? E GLU 65 CG 80 1 Y 1 E GLU 272 ? CD ? E GLU 65 CD 81 1 Y 1 E GLU 272 ? OE1 ? E GLU 65 OE1 82 1 Y 1 E GLU 272 ? OE2 ? E GLU 65 OE2 83 1 Y 1 E LYS 288 ? CG ? E LYS 81 CG 84 1 Y 1 E LYS 288 ? CD ? E LYS 81 CD 85 1 Y 1 E LYS 288 ? CE ? E LYS 81 CE 86 1 Y 1 E LYS 288 ? NZ ? E LYS 81 NZ 87 1 Y 1 E LYS 290 ? CG ? E LYS 83 CG 88 1 Y 1 E LYS 290 ? CD ? E LYS 83 CD 89 1 Y 1 E LYS 290 ? CE ? E LYS 83 CE 90 1 Y 1 E LYS 290 ? NZ ? E LYS 83 NZ 91 1 Y 1 E GLU 293 ? CG ? E GLU 86 CG 92 1 Y 1 E GLU 293 ? CD ? E GLU 86 CD 93 1 Y 1 E GLU 293 ? OE1 ? E GLU 86 OE1 94 1 Y 1 E GLU 293 ? OE2 ? E GLU 86 OE2 95 1 Y 1 E SER 298 ? OG ? E SER 91 OG 96 1 Y 1 E GLU 318 ? CG ? E GLU 111 CG 97 1 Y 1 E GLU 318 ? CD ? E GLU 111 CD 98 1 Y 1 E GLU 318 ? OE1 ? E GLU 111 OE1 99 1 Y 1 E GLU 318 ? OE2 ? E GLU 111 OE2 100 1 Y 1 E LYS 326 ? CE ? E LYS 119 CE 101 1 Y 1 E LYS 326 ? NZ ? E LYS 119 NZ 102 1 Y 1 E LYS 334 ? CG ? E LYS 127 CG 103 1 Y 1 E LYS 334 ? CD ? E LYS 127 CD 104 1 Y 1 E LYS 334 ? CE ? E LYS 127 CE 105 1 Y 1 E LYS 334 ? NZ ? E LYS 127 NZ 106 1 Y 1 E LYS 340 ? CG ? E LYS 133 CG 107 1 Y 1 E LYS 340 ? CD ? E LYS 133 CD 108 1 Y 1 E LYS 340 ? CE ? E LYS 133 CE 109 1 Y 1 E LYS 340 ? NZ ? E LYS 133 NZ 110 1 Y 1 E GLN 342 ? CG ? E GLN 135 CG 111 1 Y 1 E GLN 342 ? CD ? E GLN 135 CD 112 1 Y 1 E GLN 342 ? OE1 ? E GLN 135 OE1 113 1 Y 1 E GLN 342 ? NE2 ? E GLN 135 NE2 114 1 Y 1 E ARG 344 ? CG ? E ARG 137 CG 115 1 Y 1 E ARG 344 ? CD ? E ARG 137 CD 116 1 Y 1 E ARG 344 ? NE ? E ARG 137 NE 117 1 Y 1 E ARG 344 ? CZ ? E ARG 137 CZ 118 1 Y 1 E ARG 344 ? NH1 ? E ARG 137 NH1 119 1 Y 1 E ARG 344 ? NH2 ? E ARG 137 NH2 120 1 Y 1 E LYS 370 ? CG ? E LYS 163 CG 121 1 Y 1 E LYS 370 ? CD ? E LYS 163 CD 122 1 Y 1 E LYS 370 ? CE ? E LYS 163 CE 123 1 Y 1 E LYS 370 ? NZ ? E LYS 163 NZ 124 1 Y 1 E GLU 380 ? CG ? E GLU 173 CG 125 1 Y 1 E GLU 380 ? CD ? E GLU 173 CD 126 1 Y 1 E GLU 380 ? OE1 ? E GLU 173 OE1 127 1 Y 1 E GLU 380 ? OE2 ? E GLU 173 OE2 128 1 Y 1 E ASP 392 ? OD1 ? E ASP 185 OD1 129 1 Y 1 E ASP 392 ? OD2 ? E ASP 185 OD2 130 1 Y 1 E LEU 398 ? CG ? E LEU 191 CG 131 1 Y 1 E LEU 398 ? CD1 ? E LEU 191 CD1 132 1 Y 1 E LEU 398 ? CD2 ? E LEU 191 CD2 133 1 Y 1 E LEU 406 ? CG ? E LEU 199 CG 134 1 Y 1 E LEU 406 ? CD1 ? E LEU 199 CD1 135 1 Y 1 E LEU 406 ? CD2 ? E LEU 199 CD2 # 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 ASP 221 ? A ASP 1 2 1 Y 1 A LYS 222 ? A LYS 2 3 1 Y 1 A THR 223 ? A THR 3 4 1 Y 1 A HIS 224 ? A HIS 4 5 1 Y 1 A THR 225 ? A THR 5 6 1 Y 1 A CYS 226 ? A CYS 6 7 1 Y 1 A PRO 227 ? A PRO 7 8 1 Y 1 A PRO 228 ? A PRO 8 9 1 Y 1 A CYS 229 ? A CYS 9 10 1 Y 1 A PRO 230 ? A PRO 10 11 1 Y 1 A ALA 231 ? A ALA 11 12 1 Y 1 A PRO 232 ? A PRO 12 13 1 Y 1 A GLU 233 ? A GLU 13 14 1 Y 1 A LEU 234 ? A LEU 14 15 1 Y 1 A LEU 235 ? A LEU 15 16 1 Y 1 A GLY 236 ? A GLY 16 17 1 Y 1 A SER 444 ? A SER 224 18 1 Y 1 A PRO 445 ? A PRO 225 19 1 Y 1 A GLY 446 ? A GLY 226 20 1 Y 1 A LYS 447 ? A LYS 227 21 1 Y 1 B HIS 208 ? B HIS 1 22 1 Y 1 B HIS 209 ? B HIS 2 23 1 Y 1 B HIS 210 ? B HIS 3 24 1 Y 1 B HIS 211 ? B HIS 4 25 1 Y 1 B HIS 212 ? B HIS 5 26 1 Y 1 B HIS 213 ? B HIS 6 27 1 Y 1 B HIS 214 ? B HIS 7 28 1 Y 1 B HIS 215 ? B HIS 8 29 1 Y 1 B SER 216 ? B SER 9 30 1 Y 1 B GLY 217 ? B GLY 10 31 1 Y 1 B SER 218 ? B SER 11 32 1 Y 1 B GLY 219 ? B GLY 12 33 1 Y 1 B SER 220 ? B SER 13 34 1 Y 1 B ASP 221 ? B ASP 14 35 1 Y 1 B LYS 222 ? B LYS 15 36 1 Y 1 B THR 223 ? B THR 16 37 1 Y 1 B HIS 224 ? B HIS 17 38 1 Y 1 B THR 225 ? B THR 18 39 1 Y 1 B CYS 226 ? B CYS 19 40 1 Y 1 B PRO 227 ? B PRO 20 41 1 Y 1 B PRO 228 ? B PRO 21 42 1 Y 1 B CYS 229 ? B CYS 22 43 1 Y 1 B PRO 230 ? B PRO 23 44 1 Y 1 B ALA 231 ? B ALA 24 45 1 Y 1 B PRO 232 ? B PRO 25 46 1 Y 1 B GLU 233 ? B GLU 26 47 1 Y 1 B LEU 234 ? B LEU 27 48 1 Y 1 B LEU 235 ? B LEU 28 49 1 Y 1 B SER 444 ? B SER 237 50 1 Y 1 B PRO 445 ? B PRO 238 51 1 Y 1 B GLY 446 ? B GLY 239 52 1 Y 1 B LYS 447 ? B LYS 240 53 1 Y 1 D ASP 221 ? D ASP 1 54 1 Y 1 D LYS 222 ? D LYS 2 55 1 Y 1 D THR 223 ? D THR 3 56 1 Y 1 D HIS 224 ? D HIS 4 57 1 Y 1 D THR 225 ? D THR 5 58 1 Y 1 D CYS 226 ? D CYS 6 59 1 Y 1 D PRO 227 ? D PRO 7 60 1 Y 1 D PRO 228 ? D PRO 8 61 1 Y 1 D CYS 229 ? D CYS 9 62 1 Y 1 D PRO 230 ? D PRO 10 63 1 Y 1 D ALA 231 ? D ALA 11 64 1 Y 1 D PRO 232 ? D PRO 12 65 1 Y 1 D GLU 233 ? D GLU 13 66 1 Y 1 D LEU 234 ? D LEU 14 67 1 Y 1 D LEU 235 ? D LEU 15 68 1 Y 1 D GLY 236 ? D GLY 16 69 1 Y 1 D GLY 237 ? D GLY 17 70 1 Y 1 D PRO 238 ? D PRO 18 71 1 Y 1 D SER 239 ? D SER 19 72 1 Y 1 D VAL 240 ? D VAL 20 73 1 Y 1 D PHE 241 ? D PHE 21 74 1 Y 1 D LEU 242 ? D LEU 22 75 1 Y 1 D PHE 243 ? D PHE 23 76 1 Y 1 D PRO 244 ? D PRO 24 77 1 Y 1 D PRO 245 ? D PRO 25 78 1 Y 1 D LYS 246 ? D LYS 26 79 1 Y 1 D PRO 247 ? D PRO 27 80 1 Y 1 D LYS 248 ? D LYS 28 81 1 Y 1 D ASP 249 ? D ASP 29 82 1 Y 1 D THR 250 ? D THR 30 83 1 Y 1 D LEU 251 ? D LEU 31 84 1 Y 1 D MET 252 ? D MET 32 85 1 Y 1 D ILE 253 ? D ILE 33 86 1 Y 1 D SER 254 ? D SER 34 87 1 Y 1 D ARG 255 ? D ARG 35 88 1 Y 1 D THR 256 ? D THR 36 89 1 Y 1 D PRO 257 ? D PRO 37 90 1 Y 1 D GLU 258 ? D GLU 38 91 1 Y 1 D VAL 259 ? D VAL 39 92 1 Y 1 D THR 260 ? D THR 40 93 1 Y 1 D CYS 261 ? D CYS 41 94 1 Y 1 D VAL 262 ? D VAL 42 95 1 Y 1 D VAL 263 ? D VAL 43 96 1 Y 1 D VAL 264 ? D VAL 44 97 1 Y 1 D ASP 265 ? D ASP 45 98 1 Y 1 D VAL 266 ? D VAL 46 99 1 Y 1 D SER 267 ? D SER 47 100 1 Y 1 D HIS 268 ? D HIS 48 101 1 Y 1 D GLU 269 ? D GLU 49 102 1 Y 1 D ASP 270 ? D ASP 50 103 1 Y 1 D PRO 271 ? D PRO 51 104 1 Y 1 D GLU 272 ? D GLU 52 105 1 Y 1 D VAL 273 ? D VAL 53 106 1 Y 1 D LYS 274 ? D LYS 54 107 1 Y 1 D PHE 275 ? D PHE 55 108 1 Y 1 D ASN 276 ? D ASN 56 109 1 Y 1 D TRP 277 ? D TRP 57 110 1 Y 1 D TYR 278 ? D TYR 58 111 1 Y 1 D VAL 279 ? D VAL 59 112 1 Y 1 D ASP 280 ? D ASP 60 113 1 Y 1 D GLY 281 ? D GLY 61 114 1 Y 1 D VAL 282 ? D VAL 62 115 1 Y 1 D GLU 283 ? D GLU 63 116 1 Y 1 D VAL 284 ? D VAL 64 117 1 Y 1 D HIS 285 ? D HIS 65 118 1 Y 1 D ASN 286 ? D ASN 66 119 1 Y 1 D ALA 287 ? D ALA 67 120 1 Y 1 D LYS 288 ? D LYS 68 121 1 Y 1 D THR 289 ? D THR 69 122 1 Y 1 D LYS 290 ? D LYS 70 123 1 Y 1 D PRO 291 ? D PRO 71 124 1 Y 1 D ARG 292 ? D ARG 72 125 1 Y 1 D GLU 293 ? D GLU 73 126 1 Y 1 D GLU 294 ? D GLU 74 127 1 Y 1 D GLN 295 ? D GLN 75 128 1 Y 1 D TYR 296 ? D TYR 76 129 1 Y 1 D ASN 297 ? D ASN 77 130 1 Y 1 D SER 298 ? D SER 78 131 1 Y 1 D THR 299 ? D THR 79 132 1 Y 1 D TYR 300 ? D TYR 80 133 1 Y 1 D ARG 301 ? D ARG 81 134 1 Y 1 D VAL 302 ? D VAL 82 135 1 Y 1 D VAL 303 ? D VAL 83 136 1 Y 1 D SER 304 ? D SER 84 137 1 Y 1 D VAL 305 ? D VAL 85 138 1 Y 1 D LEU 306 ? D LEU 86 139 1 Y 1 D THR 307 ? D THR 87 140 1 Y 1 D VAL 308 ? D VAL 88 141 1 Y 1 D LEU 309 ? D LEU 89 142 1 Y 1 D HIS 310 ? D HIS 90 143 1 Y 1 D GLN 311 ? D GLN 91 144 1 Y 1 D ASP 312 ? D ASP 92 145 1 Y 1 D TRP 313 ? D TRP 93 146 1 Y 1 D LEU 314 ? D LEU 94 147 1 Y 1 D ASN 315 ? D ASN 95 148 1 Y 1 D GLY 316 ? D GLY 96 149 1 Y 1 D LYS 317 ? D LYS 97 150 1 Y 1 D GLU 318 ? D GLU 98 151 1 Y 1 D TYR 319 ? D TYR 99 152 1 Y 1 D LYS 320 ? D LYS 100 153 1 Y 1 D CYS 321 ? D CYS 101 154 1 Y 1 D LYS 322 ? D LYS 102 155 1 Y 1 D VAL 323 ? D VAL 103 156 1 Y 1 D SER 324 ? D SER 104 157 1 Y 1 D ASN 325 ? D ASN 105 158 1 Y 1 D LYS 326 ? D LYS 106 159 1 Y 1 D ALA 327 ? D ALA 107 160 1 Y 1 D LEU 328 ? D LEU 108 161 1 Y 1 D PRO 329 ? D PRO 109 162 1 Y 1 D ALA 330 ? D ALA 110 163 1 Y 1 D PRO 331 ? D PRO 111 164 1 Y 1 D ILE 332 ? D ILE 112 165 1 Y 1 D GLU 333 ? D GLU 113 166 1 Y 1 D LYS 334 ? D LYS 114 167 1 Y 1 D THR 335 ? D THR 115 168 1 Y 1 D ILE 336 ? D ILE 116 169 1 Y 1 D SER 337 ? D SER 117 170 1 Y 1 D LYS 338 ? D LYS 118 171 1 Y 1 D ALA 339 ? D ALA 119 172 1 Y 1 D LYS 340 ? D LYS 120 173 1 Y 1 D GLY 341 ? D GLY 121 174 1 Y 1 D GLN 342 ? D GLN 122 175 1 Y 1 D PRO 343 ? D PRO 123 176 1 Y 1 D ARG 344 ? D ARG 124 177 1 Y 1 D GLU 345 ? D GLU 125 178 1 Y 1 D PRO 346 ? D PRO 126 179 1 Y 1 D GLN 347 ? D GLN 127 180 1 Y 1 D VAL 348 ? D VAL 128 181 1 Y 1 D TYR 349 ? D TYR 129 182 1 Y 1 D THR 350 ? D THR 130 183 1 Y 1 D LEU 351 ? D LEU 131 184 1 Y 1 D PRO 352 ? D PRO 132 185 1 Y 1 D PRO 353 ? D PRO 133 186 1 Y 1 D SER 354 ? D SER 134 187 1 Y 1 D ARG 355 ? D ARG 135 188 1 Y 1 D LYS 356 ? D LYS 136 189 1 Y 1 D GLU 357 ? D GLU 137 190 1 Y 1 D MET 358 ? D MET 138 191 1 Y 1 D THR 359 ? D THR 139 192 1 Y 1 D LYS 360 ? D LYS 140 193 1 Y 1 D ASN 361 ? D ASN 141 194 1 Y 1 D GLN 362 ? D GLN 142 195 1 Y 1 D VAL 363 ? D VAL 143 196 1 Y 1 D SER 364 ? D SER 144 197 1 Y 1 D LEU 365 ? D LEU 145 198 1 Y 1 D THR 366 ? D THR 146 199 1 Y 1 D CYS 367 ? D CYS 147 200 1 Y 1 D TYR 373 ? D TYR 153 201 1 Y 1 D PRO 374 ? D PRO 154 202 1 Y 1 D SER 375 ? D SER 155 203 1 Y 1 D ASP 376 ? D ASP 156 204 1 Y 1 D ILE 377 ? D ILE 157 205 1 Y 1 D ALA 378 ? D ALA 158 206 1 Y 1 D VAL 379 ? D VAL 159 207 1 Y 1 D GLU 380 ? D GLU 160 208 1 Y 1 D TRP 381 ? D TRP 161 209 1 Y 1 D GLU 382 ? D GLU 162 210 1 Y 1 D SER 383 ? D SER 163 211 1 Y 1 D ASN 384 ? D ASN 164 212 1 Y 1 D GLY 385 ? D GLY 165 213 1 Y 1 D GLN 386 ? D GLN 166 214 1 Y 1 D PRO 387 ? D PRO 167 215 1 Y 1 D GLU 388 ? D GLU 168 216 1 Y 1 D ASN 389 ? D ASN 169 217 1 Y 1 D ASN 390 ? D ASN 170 218 1 Y 1 D TYR 391 ? D TYR 171 219 1 Y 1 D SER 408 ? D SER 188 220 1 Y 1 D LYS 409 ? D LYS 189 221 1 Y 1 D LEU 410 ? D LEU 190 222 1 Y 1 D THR 411 ? D THR 191 223 1 Y 1 D VAL 412 ? D VAL 192 224 1 Y 1 D ASP 413 ? D ASP 193 225 1 Y 1 D LYS 414 ? D LYS 194 226 1 Y 1 D SER 415 ? D SER 195 227 1 Y 1 D ARG 416 ? D ARG 196 228 1 Y 1 D TRP 417 ? D TRP 197 229 1 Y 1 D GLN 418 ? D GLN 198 230 1 Y 1 D GLN 419 ? D GLN 199 231 1 Y 1 D GLY 420 ? D GLY 200 232 1 Y 1 D ASN 421 ? D ASN 201 233 1 Y 1 D VAL 422 ? D VAL 202 234 1 Y 1 D PHE 423 ? D PHE 203 235 1 Y 1 D SER 424 ? D SER 204 236 1 Y 1 D CYS 425 ? D CYS 205 237 1 Y 1 D SER 426 ? D SER 206 238 1 Y 1 D VAL 427 ? D VAL 207 239 1 Y 1 D MET 428 ? D MET 208 240 1 Y 1 D HIS 429 ? D HIS 209 241 1 Y 1 D GLU 430 ? D GLU 210 242 1 Y 1 D ALA 431 ? D ALA 211 243 1 Y 1 D LEU 432 ? D LEU 212 244 1 Y 1 D HIS 433 ? D HIS 213 245 1 Y 1 D ASN 434 ? D ASN 214 246 1 Y 1 D HIS 435 ? D HIS 215 247 1 Y 1 D TYR 436 ? D TYR 216 248 1 Y 1 D THR 437 ? D THR 217 249 1 Y 1 D GLN 438 ? D GLN 218 250 1 Y 1 D LYS 439 ? D LYS 219 251 1 Y 1 D SER 440 ? D SER 220 252 1 Y 1 D LEU 441 ? D LEU 221 253 1 Y 1 D SER 442 ? D SER 222 254 1 Y 1 D LEU 443 ? D LEU 223 255 1 Y 1 D SER 444 ? D SER 224 256 1 Y 1 D PRO 445 ? D PRO 225 257 1 Y 1 D GLY 446 ? D GLY 226 258 1 Y 1 D LYS 447 ? D LYS 227 259 1 Y 1 E HIS 208 ? E HIS 1 260 1 Y 1 E HIS 209 ? E HIS 2 261 1 Y 1 E HIS 210 ? E HIS 3 262 1 Y 1 E HIS 211 ? E HIS 4 263 1 Y 1 E HIS 212 ? E HIS 5 264 1 Y 1 E HIS 213 ? E HIS 6 265 1 Y 1 E HIS 214 ? E HIS 7 266 1 Y 1 E HIS 215 ? E HIS 8 267 1 Y 1 E SER 216 ? E SER 9 268 1 Y 1 E GLY 217 ? E GLY 10 269 1 Y 1 E SER 218 ? E SER 11 270 1 Y 1 E GLY 219 ? E GLY 12 271 1 Y 1 E SER 220 ? E SER 13 272 1 Y 1 E ASP 221 ? E ASP 14 273 1 Y 1 E LYS 222 ? E LYS 15 274 1 Y 1 E THR 223 ? E THR 16 275 1 Y 1 E HIS 224 ? E HIS 17 276 1 Y 1 E THR 225 ? E THR 18 277 1 Y 1 E CYS 226 ? E CYS 19 278 1 Y 1 E PRO 227 ? E PRO 20 279 1 Y 1 E PRO 228 ? E PRO 21 280 1 Y 1 E CYS 229 ? E CYS 22 281 1 Y 1 E PRO 230 ? E PRO 23 282 1 Y 1 E ALA 231 ? E ALA 24 283 1 Y 1 E PRO 232 ? E PRO 25 284 1 Y 1 E GLU 233 ? E GLU 26 285 1 Y 1 E LEU 234 ? E LEU 27 286 1 Y 1 E LEU 235 ? E LEU 28 287 1 Y 1 E GLY 236 ? E GLY 29 288 1 Y 1 E GLY 237 ? E GLY 30 289 1 Y 1 E LEU 351 ? E LEU 144 290 1 Y 1 E PRO 352 ? E PRO 145 291 1 Y 1 E PRO 353 ? E PRO 146 292 1 Y 1 E SER 354 ? E SER 147 293 1 Y 1 E ARG 355 ? E ARG 148 294 1 Y 1 E GLU 356 ? E GLU 149 295 1 Y 1 E GLU 357 ? E GLU 150 296 1 Y 1 E MET 358 ? E MET 151 297 1 Y 1 E THR 359 ? E THR 152 298 1 Y 1 E LYS 360 ? E LYS 153 299 1 Y 1 E ASN 361 ? E ASN 154 300 1 Y 1 E GLN 362 ? E GLN 155 301 1 Y 1 E VAL 363 ? E VAL 156 302 1 Y 1 E SER 364 ? E SER 157 303 1 Y 1 E LEU 365 ? E LEU 158 304 1 Y 1 E THR 366 ? E THR 159 305 1 Y 1 E GLU 382 ? E GLU 175 306 1 Y 1 E SER 383 ? E SER 176 307 1 Y 1 E ASN 384 ? E ASN 177 308 1 Y 1 E GLY 385 ? E GLY 178 309 1 Y 1 E GLN 386 ? E GLN 179 310 1 Y 1 E PRO 387 ? E PRO 180 311 1 Y 1 E GLU 388 ? E GLU 181 312 1 Y 1 E ASN 389 ? E ASN 182 313 1 Y 1 E ASN 390 ? E ASN 183 314 1 Y 1 E SER 408 ? E SER 201 315 1 Y 1 E ASP 409 ? E ASP 202 316 1 Y 1 E LEU 410 ? E LEU 203 317 1 Y 1 E THR 411 ? E THR 204 318 1 Y 1 E VAL 412 ? E VAL 205 319 1 Y 1 E ASP 413 ? E ASP 206 320 1 Y 1 E LYS 414 ? E LYS 207 321 1 Y 1 E SER 415 ? E SER 208 322 1 Y 1 E ARG 416 ? E ARG 209 323 1 Y 1 E TRP 417 ? E TRP 210 324 1 Y 1 E GLN 418 ? E GLN 211 325 1 Y 1 E GLN 419 ? E GLN 212 326 1 Y 1 E GLY 420 ? E GLY 213 327 1 Y 1 E ASN 421 ? E ASN 214 328 1 Y 1 E VAL 422 ? E VAL 215 329 1 Y 1 E PHE 423 ? E PHE 216 330 1 Y 1 E GLN 438 ? E GLN 231 331 1 Y 1 E LYS 439 ? E LYS 232 332 1 Y 1 E SER 440 ? E SER 233 333 1 Y 1 E LEU 441 ? E LEU 234 334 1 Y 1 E SER 442 ? E SER 235 335 1 Y 1 E LEU 443 ? E LEU 236 336 1 Y 1 E SER 444 ? E SER 237 337 1 Y 1 E PRO 445 ? E PRO 238 338 1 Y 1 E GLY 446 ? E GLY 239 339 1 Y 1 E LYS 447 ? E LYS 240 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 N-ACETYL-D-GLUCOSAMINE NAG 5 BETA-D-MANNOSE BMA 6 ALPHA-D-MANNOSE MAN 7 BETA-D-GALACTOSE GAL 8 ALPHA-L-FUCOSE FUC 9 water HOH #