data_3MJ9 # _entry.id 3MJ9 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3MJ9 RCSB RCSB058613 WWPDB D_1000058613 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3MJ6 . unspecified PDB 3MJ7 . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3MJ9 _pdbx_database_status.recvd_initial_deposition_date 2010-04-12 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Verdino, P.' 1 'Wilson, I.A.' 2 # _citation.id primary _citation.title 'Molecular insights into gamma delta T cell costimulation by an anti-JAML antibody.' _citation.journal_abbrev Structure _citation.journal_volume 19 _citation.page_first 80 _citation.page_last 89 _citation.year 2011 _citation.journal_id_ASTM STRUE6 _citation.country UK _citation.journal_id_ISSN 0969-2126 _citation.journal_id_CSD 2005 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21220118 _citation.pdbx_database_id_DOI 10.1016/j.str.2010.10.007 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Verdino, P.' 1 primary 'Witherden, D.A.' 2 primary 'Ferguson, M.S.' 3 primary 'Corper, A.L.' 4 primary 'Schiefner, A.' 5 primary 'Havran, W.L.' 6 primary 'Wilson, I.A.' 7 # _cell.entry_id 3MJ9 _cell.length_a 125.020 _cell.length_b 125.020 _cell.length_c 107.839 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3MJ9 _symmetry.space_group_name_H-M 'P 43 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 96 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Junctional adhesion molecule-like' 30647.387 1 ? 'K124R, R211Q' 'EXTRACELLULAR DOMAIN (UNP RESIDUES 21-280)' ? 2 polymer nat 'STIMULATORY HAMSTER ANTIBODY HL4E10 FAB LIGHT CHAIN' 22784.334 1 ? ? ? ? 3 polymer nat 'STIMULATORY HAMSTER ANTIBODY HL4E10 FAB HEAVY CHAIN' 23653.455 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 5 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 6 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 7 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Dendritic cell-specific protein CREA7, mCrea7' # 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 ;RSQGLPGLTVSSPQLRVHVGESVLMGCVVQRTEEKHVDRVDWLFSKDKDDASEYVLFYYSNLSVPTGRFQNRSHLVGDTF HNDGSLLLQDVQKADEGIYTCEIRLKNESMVMKKPVELWVLPEEPRDLRVRVGDTTQMRCSIQSTEEKRVTKVNWMFSSG SHTEEETVLSYDSNMRSGKFQSLGRFRNRVDLTGDISRNDGSIKLQTVKESDQGIYTCSIYVGKLESRKTIVLHVVQDEF QRTISPTPPTDKGQQGILNGNQHHHHHH ; ;RSQGLPGLTVSSPQLRVHVGESVLMGCVVQRTEEKHVDRVDWLFSKDKDDASEYVLFYYSNLSVPTGRFQNRSHLVGDTF HNDGSLLLQDVQKADEGIYTCEIRLKNESMVMKKPVELWVLPEEPRDLRVRVGDTTQMRCSIQSTEEKRVTKVNWMFSSG SHTEEETVLSYDSNMRSGKFQSLGRFRNRVDLTGDISRNDGSIKLQTVKESDQGIYTCSIYVGKLESRKTIVLHVVQDEF QRTISPTPPTDKGQQGILNGNQHHHHHH ; A ? 2 'polypeptide(L)' no no ;SYTLTQPPLVSVALGQKATITCSGDKLSDVYVHWYQQKAGQAPVLVIYEDNRRPSGIPDHFSGSNSGNMATLTISKAQAG DEADYYCQSWDGTNSAWVFGSGTKVTVLGQPNAAPSVTLFPPSSEELKTNQATLVCMINGFYPADVAVTWEADGTPITQG VKTTQPSKSDSKYMATSYLTMTADAWKSRNTFICKVTHGGNTVEKSLSPSACS ; ;SYTLTQPPLVSVALGQKATITCSGDKLSDVYVHWYQQKAGQAPVLVIYEDNRRPSGIPDHFSGSNSGNMATLTISKAQAG DEADYYCQSWDGTNSAWVFGSGTKVTVLGQPNAAPSVTLFPPSSEELKTNQATLVCMINGFYPADVAVTWEADGTPITQG VKTTQPSKSDSKYMATSYLTMTADAWKSRNTFICKVTHGGNTVEKSLSPSACS ; L ? 3 'polypeptide(L)' no no ;QVQLKESGPGLLQPSQTLSLTCTVSGISLSDYGVHWVRQAPGKGLEWMGIIGHAGGTDYNSNLKSRVSISRDTSKSQVFL KLNSLQQEDTAMYFCARHFYTYFDVWGQGIQVTVSSATTTAPSVYPLAPACDSTTSTTNTVTLGCLVKGYFPEPVTVSWN SGALTSGVHTFPSVLHSGLYSLSSSVTVPSSTWPSQTVTCNVAHPASSTKVDKKIVPGDGSGC ; ;QVQLKESGPGLLQPSQTLSLTCTVSGISLSDYGVHWVRQAPGKGLEWMGIIGHAGGTDYNSNLKSRVSISRDTSKSQVFL KLNSLQQEDTAMYFCARHFYTYFDVWGQGIQVTVSSATTTAPSVYPLAPACDSTTSTTNTVTLGCLVKGYFPEPVTVSWN SGALTSGVHTFPSVLHSGLYSLSSSVTVPSSTWPSQTVTCNVAHPASSTKVDKKIVPGDGSGC ; H ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 ARG n 1 2 SER n 1 3 GLN n 1 4 GLY n 1 5 LEU n 1 6 PRO n 1 7 GLY n 1 8 LEU n 1 9 THR n 1 10 VAL n 1 11 SER n 1 12 SER n 1 13 PRO n 1 14 GLN n 1 15 LEU n 1 16 ARG n 1 17 VAL n 1 18 HIS n 1 19 VAL n 1 20 GLY n 1 21 GLU n 1 22 SER n 1 23 VAL n 1 24 LEU n 1 25 MET n 1 26 GLY n 1 27 CYS n 1 28 VAL n 1 29 VAL n 1 30 GLN n 1 31 ARG n 1 32 THR n 1 33 GLU n 1 34 GLU n 1 35 LYS n 1 36 HIS n 1 37 VAL n 1 38 ASP n 1 39 ARG n 1 40 VAL n 1 41 ASP n 1 42 TRP n 1 43 LEU n 1 44 PHE n 1 45 SER n 1 46 LYS n 1 47 ASP n 1 48 LYS n 1 49 ASP n 1 50 ASP n 1 51 ALA n 1 52 SER n 1 53 GLU n 1 54 TYR n 1 55 VAL n 1 56 LEU n 1 57 PHE n 1 58 TYR n 1 59 TYR n 1 60 SER n 1 61 ASN n 1 62 LEU n 1 63 SER n 1 64 VAL n 1 65 PRO n 1 66 THR n 1 67 GLY n 1 68 ARG n 1 69 PHE n 1 70 GLN n 1 71 ASN n 1 72 ARG n 1 73 SER n 1 74 HIS n 1 75 LEU n 1 76 VAL n 1 77 GLY n 1 78 ASP n 1 79 THR n 1 80 PHE n 1 81 HIS n 1 82 ASN n 1 83 ASP n 1 84 GLY n 1 85 SER n 1 86 LEU n 1 87 LEU n 1 88 LEU n 1 89 GLN n 1 90 ASP n 1 91 VAL n 1 92 GLN n 1 93 LYS n 1 94 ALA n 1 95 ASP n 1 96 GLU n 1 97 GLY n 1 98 ILE n 1 99 TYR n 1 100 THR n 1 101 CYS n 1 102 GLU n 1 103 ILE n 1 104 ARG n 1 105 LEU n 1 106 LYS n 1 107 ASN n 1 108 GLU n 1 109 SER n 1 110 MET n 1 111 VAL n 1 112 MET n 1 113 LYS n 1 114 LYS n 1 115 PRO n 1 116 VAL n 1 117 GLU n 1 118 LEU n 1 119 TRP n 1 120 VAL n 1 121 LEU n 1 122 PRO n 1 123 GLU n 1 124 GLU n 1 125 PRO n 1 126 ARG n 1 127 ASP n 1 128 LEU n 1 129 ARG n 1 130 VAL n 1 131 ARG n 1 132 VAL n 1 133 GLY n 1 134 ASP n 1 135 THR n 1 136 THR n 1 137 GLN n 1 138 MET n 1 139 ARG n 1 140 CYS n 1 141 SER n 1 142 ILE n 1 143 GLN n 1 144 SER n 1 145 THR n 1 146 GLU n 1 147 GLU n 1 148 LYS n 1 149 ARG n 1 150 VAL n 1 151 THR n 1 152 LYS n 1 153 VAL n 1 154 ASN n 1 155 TRP n 1 156 MET n 1 157 PHE n 1 158 SER n 1 159 SER n 1 160 GLY n 1 161 SER n 1 162 HIS n 1 163 THR n 1 164 GLU n 1 165 GLU n 1 166 GLU n 1 167 THR n 1 168 VAL n 1 169 LEU n 1 170 SER n 1 171 TYR n 1 172 ASP n 1 173 SER n 1 174 ASN n 1 175 MET n 1 176 ARG n 1 177 SER n 1 178 GLY n 1 179 LYS n 1 180 PHE n 1 181 GLN n 1 182 SER n 1 183 LEU n 1 184 GLY n 1 185 ARG n 1 186 PHE n 1 187 ARG n 1 188 ASN n 1 189 ARG n 1 190 VAL n 1 191 ASP n 1 192 LEU n 1 193 THR n 1 194 GLY n 1 195 ASP n 1 196 ILE n 1 197 SER n 1 198 ARG n 1 199 ASN n 1 200 ASP n 1 201 GLY n 1 202 SER n 1 203 ILE n 1 204 LYS n 1 205 LEU n 1 206 GLN n 1 207 THR n 1 208 VAL n 1 209 LYS n 1 210 GLU n 1 211 SER n 1 212 ASP n 1 213 GLN n 1 214 GLY n 1 215 ILE n 1 216 TYR n 1 217 THR n 1 218 CYS n 1 219 SER n 1 220 ILE n 1 221 TYR n 1 222 VAL n 1 223 GLY n 1 224 LYS n 1 225 LEU n 1 226 GLU n 1 227 SER n 1 228 ARG n 1 229 LYS n 1 230 THR n 1 231 ILE n 1 232 VAL n 1 233 LEU n 1 234 HIS n 1 235 VAL n 1 236 VAL n 1 237 GLN n 1 238 ASP n 1 239 GLU n 1 240 PHE n 1 241 GLN n 1 242 ARG n 1 243 THR n 1 244 ILE n 1 245 SER n 1 246 PRO n 1 247 THR n 1 248 PRO n 1 249 PRO n 1 250 THR n 1 251 ASP n 1 252 LYS n 1 253 GLY n 1 254 GLN n 1 255 GLN n 1 256 GLY n 1 257 ILE n 1 258 LEU n 1 259 ASN n 1 260 GLY n 1 261 ASN n 1 262 GLN n 1 263 HIS n 1 264 HIS n 1 265 HIS n 1 266 HIS n 1 267 HIS n 1 268 HIS n 2 1 SER n 2 2 TYR n 2 3 THR n 2 4 LEU n 2 5 THR n 2 6 GLN n 2 7 PRO n 2 8 PRO n 2 9 LEU n 2 10 VAL n 2 11 SER n 2 12 VAL n 2 13 ALA n 2 14 LEU n 2 15 GLY n 2 16 GLN n 2 17 LYS n 2 18 ALA n 2 19 THR n 2 20 ILE n 2 21 THR n 2 22 CYS n 2 23 SER n 2 24 GLY n 2 25 ASP n 2 26 LYS n 2 27 LEU n 2 28 SER n 2 29 ASP n 2 30 VAL n 2 31 TYR n 2 32 VAL n 2 33 HIS n 2 34 TRP n 2 35 TYR n 2 36 GLN n 2 37 GLN n 2 38 LYS n 2 39 ALA n 2 40 GLY n 2 41 GLN n 2 42 ALA n 2 43 PRO n 2 44 VAL n 2 45 LEU n 2 46 VAL n 2 47 ILE n 2 48 TYR n 2 49 GLU n 2 50 ASP n 2 51 ASN n 2 52 ARG n 2 53 ARG n 2 54 PRO n 2 55 SER n 2 56 GLY n 2 57 ILE n 2 58 PRO n 2 59 ASP n 2 60 HIS n 2 61 PHE n 2 62 SER n 2 63 GLY n 2 64 SER n 2 65 ASN n 2 66 SER n 2 67 GLY n 2 68 ASN n 2 69 MET n 2 70 ALA n 2 71 THR n 2 72 LEU n 2 73 THR n 2 74 ILE n 2 75 SER n 2 76 LYS n 2 77 ALA n 2 78 GLN n 2 79 ALA n 2 80 GLY n 2 81 ASP n 2 82 GLU n 2 83 ALA n 2 84 ASP n 2 85 TYR n 2 86 TYR n 2 87 CYS n 2 88 GLN n 2 89 SER n 2 90 TRP n 2 91 ASP n 2 92 GLY n 2 93 THR n 2 94 ASN n 2 95 SER n 2 96 ALA n 2 97 TRP n 2 98 VAL n 2 99 PHE n 2 100 GLY n 2 101 SER n 2 102 GLY n 2 103 THR n 2 104 LYS n 2 105 VAL n 2 106 THR n 2 107 VAL n 2 108 LEU n 2 109 GLY n 2 110 GLN n 2 111 PRO n 2 112 ASN n 2 113 ALA n 2 114 ALA n 2 115 PRO n 2 116 SER n 2 117 VAL n 2 118 THR n 2 119 LEU n 2 120 PHE n 2 121 PRO n 2 122 PRO n 2 123 SER n 2 124 SER n 2 125 GLU n 2 126 GLU n 2 127 LEU n 2 128 LYS n 2 129 THR n 2 130 ASN n 2 131 GLN n 2 132 ALA n 2 133 THR n 2 134 LEU n 2 135 VAL n 2 136 CYS n 2 137 MET n 2 138 ILE n 2 139 ASN n 2 140 GLY n 2 141 PHE n 2 142 TYR n 2 143 PRO n 2 144 ALA n 2 145 ASP n 2 146 VAL n 2 147 ALA n 2 148 VAL n 2 149 THR n 2 150 TRP n 2 151 GLU n 2 152 ALA n 2 153 ASP n 2 154 GLY n 2 155 THR n 2 156 PRO n 2 157 ILE n 2 158 THR n 2 159 GLN n 2 160 GLY n 2 161 VAL n 2 162 LYS n 2 163 THR n 2 164 THR n 2 165 GLN n 2 166 PRO n 2 167 SER n 2 168 LYS n 2 169 SER n 2 170 ASP n 2 171 SER n 2 172 LYS n 2 173 TYR n 2 174 MET n 2 175 ALA n 2 176 THR n 2 177 SER n 2 178 TYR n 2 179 LEU n 2 180 THR n 2 181 MET n 2 182 THR n 2 183 ALA n 2 184 ASP n 2 185 ALA n 2 186 TRP n 2 187 LYS n 2 188 SER n 2 189 ARG n 2 190 ASN n 2 191 THR n 2 192 PHE n 2 193 ILE n 2 194 CYS n 2 195 LYS n 2 196 VAL n 2 197 THR n 2 198 HIS n 2 199 GLY n 2 200 GLY n 2 201 ASN n 2 202 THR n 2 203 VAL n 2 204 GLU n 2 205 LYS n 2 206 SER n 2 207 LEU n 2 208 SER n 2 209 PRO n 2 210 SER n 2 211 ALA n 2 212 CYS n 2 213 SER n 3 1 GLN n 3 2 VAL n 3 3 GLN n 3 4 LEU n 3 5 LYS n 3 6 GLU n 3 7 SER n 3 8 GLY n 3 9 PRO n 3 10 GLY n 3 11 LEU n 3 12 LEU n 3 13 GLN n 3 14 PRO n 3 15 SER n 3 16 GLN n 3 17 THR n 3 18 LEU n 3 19 SER n 3 20 LEU n 3 21 THR n 3 22 CYS n 3 23 THR n 3 24 VAL n 3 25 SER n 3 26 GLY n 3 27 ILE n 3 28 SER n 3 29 LEU n 3 30 SER n 3 31 ASP n 3 32 TYR n 3 33 GLY n 3 34 VAL n 3 35 HIS n 3 36 TRP n 3 37 VAL n 3 38 ARG n 3 39 GLN n 3 40 ALA n 3 41 PRO n 3 42 GLY n 3 43 LYS n 3 44 GLY n 3 45 LEU n 3 46 GLU n 3 47 TRP n 3 48 MET n 3 49 GLY n 3 50 ILE n 3 51 ILE n 3 52 GLY n 3 53 HIS n 3 54 ALA n 3 55 GLY n 3 56 GLY n 3 57 THR n 3 58 ASP n 3 59 TYR n 3 60 ASN n 3 61 SER n 3 62 ASN n 3 63 LEU n 3 64 LYS n 3 65 SER n 3 66 ARG n 3 67 VAL n 3 68 SER n 3 69 ILE n 3 70 SER n 3 71 ARG n 3 72 ASP n 3 73 THR n 3 74 SER n 3 75 LYS n 3 76 SER n 3 77 GLN n 3 78 VAL n 3 79 PHE n 3 80 LEU n 3 81 LYS n 3 82 LEU n 3 83 ASN n 3 84 SER n 3 85 LEU n 3 86 GLN n 3 87 GLN n 3 88 GLU n 3 89 ASP n 3 90 THR n 3 91 ALA n 3 92 MET n 3 93 TYR n 3 94 PHE n 3 95 CYS n 3 96 ALA n 3 97 ARG n 3 98 HIS n 3 99 PHE n 3 100 TYR n 3 101 THR n 3 102 TYR n 3 103 PHE n 3 104 ASP n 3 105 VAL n 3 106 TRP n 3 107 GLY n 3 108 GLN n 3 109 GLY n 3 110 ILE n 3 111 GLN n 3 112 VAL n 3 113 THR n 3 114 VAL n 3 115 SER n 3 116 SER n 3 117 ALA n 3 118 THR n 3 119 THR n 3 120 THR n 3 121 ALA n 3 122 PRO n 3 123 SER n 3 124 VAL n 3 125 TYR n 3 126 PRO n 3 127 LEU n 3 128 ALA n 3 129 PRO n 3 130 ALA n 3 131 CYS n 3 132 ASP n 3 133 SER n 3 134 THR n 3 135 THR n 3 136 SER n 3 137 THR n 3 138 THR n 3 139 ASN n 3 140 THR n 3 141 VAL n 3 142 THR n 3 143 LEU n 3 144 GLY n 3 145 CYS n 3 146 LEU n 3 147 VAL n 3 148 LYS n 3 149 GLY n 3 150 TYR n 3 151 PHE n 3 152 PRO n 3 153 GLU n 3 154 PRO n 3 155 VAL n 3 156 THR n 3 157 VAL n 3 158 SER n 3 159 TRP n 3 160 ASN n 3 161 SER n 3 162 GLY n 3 163 ALA n 3 164 LEU n 3 165 THR n 3 166 SER n 3 167 GLY n 3 168 VAL n 3 169 HIS n 3 170 THR n 3 171 PHE n 3 172 PRO n 3 173 SER n 3 174 VAL n 3 175 LEU n 3 176 HIS n 3 177 SER n 3 178 GLY n 3 179 LEU n 3 180 TYR n 3 181 SER n 3 182 LEU n 3 183 SER n 3 184 SER n 3 185 SER n 3 186 VAL n 3 187 THR n 3 188 VAL n 3 189 PRO n 3 190 SER n 3 191 SER n 3 192 THR n 3 193 TRP n 3 194 PRO n 3 195 SER n 3 196 GLN n 3 197 THR n 3 198 VAL n 3 199 THR n 3 200 CYS n 3 201 ASN n 3 202 VAL n 3 203 ALA n 3 204 HIS n 3 205 PRO n 3 206 ALA n 3 207 SER n 3 208 SER n 3 209 THR n 3 210 LYS n 3 211 VAL n 3 212 ASP n 3 213 LYS n 3 214 LYS n 3 215 ILE n 3 216 VAL n 3 217 PRO n 3 218 GLY n 3 219 ASP n 3 220 GLY n 3 221 SER n 3 222 GLY n 3 223 CYS n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _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 mouse _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'Amica1, Gm638, Jaml' _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 'Mus musculus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10090 _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 'FRUIT FLY' _entity_src_gen.pdbx_host_org_scientific_name 'DROSOPHILA MELANOGASTER' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7227 _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 plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name 'PMT/BIP/V5-HIS A' _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_alt_source_flag _entity_src_nat.pdbx_beg_seq_num _entity_src_nat.pdbx_end_seq_num _entity_src_nat.common_name _entity_src_nat.pdbx_organism_scientific _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.genus _entity_src_nat.species _entity_src_nat.strain _entity_src_nat.tissue _entity_src_nat.tissue_fraction _entity_src_nat.pdbx_secretion _entity_src_nat.pdbx_fragment _entity_src_nat.pdbx_variant _entity_src_nat.pdbx_cell_line _entity_src_nat.pdbx_atcc _entity_src_nat.pdbx_cellular_location _entity_src_nat.pdbx_organ _entity_src_nat.pdbx_organelle _entity_src_nat.pdbx_cell _entity_src_nat.pdbx_plasmid_name _entity_src_nat.pdbx_plasmid_details _entity_src_nat.details 2 1 sample ? ? 'ARMENIAN HAMSTER' 'CRICETULUS MIGRATORIUS' 10032 ? ? HYBRIDOMA ? ? ? ? ? ? ? ? ? ? ? ? ? ;HL4E10-SECRETING HYBRIDOMA WAS PRODUCED BY FUSING MOUSE MYELOMA CELLS WITH SPLEEN CELLS FROM AN ARMENIAN HAMSTER IMMUNIZED WITH 7-17 DETC ; 3 1 sample ? ? 'ARMENIAN HAMSTER' 'CRICETULUS MIGRATORIUS' 10032 ? ? HYBRIDOMA ? ? ? ? ? ? ? ? ? ? ? ? ? ;HL4E10-SECRETING HYBRIDOMA WAS PRODUCED BY FUSING MOUSE MYELOMA CELLS WITH SPLEEN CELLS FROM AN ARMENIAN HAMSTER IMMUNIZED WITH 7-17 DETC ; # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP JAML1_MOUSE Q80UL9 1 ;QGLPGLTVSSPQLRVHVGESVLMGCVVQRTEEKHVDRVDWLFSKDKDDASEYVLFYYSNLSVPTGRFQNRSHLVGDTFHN DGSLLLQDVQKADEGIYTCEIRLKNESMVMKKPVELWVLPEEPKDLRVRVGDTTQMRCSIQSTEEKRVTKVNWMFSSGSH TEEETVLSYDSNMRSGKFQSLGRFRNRVDLTGDISRNDGSIKLQTVKESDRGIYTCSIYVGKLESRKTIVLHVVQDEFQR TISPTPPTDKGQQGILNGNQ ; 21 ? 2 PDB 3MJ9 3MJ9 2 ? ? ? 3 PDB 3MJ9 3MJ9 3 ? ? ? # 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 3MJ9 A 3 ? 262 ? Q80UL9 21 ? 280 ? 1 260 2 2 3MJ9 L 1 ? 213 ? 3MJ9 1 ? 215 ? 1 215 3 3 3MJ9 H 1 ? 223 ? 3MJ9 1 ? 233 ? 1 233 # 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 3MJ9 ARG A 1 ? UNP Q80UL9 ? ? 'EXPRESSION TAG' -1 1 1 3MJ9 SER A 2 ? UNP Q80UL9 ? ? 'EXPRESSION TAG' 0 2 1 3MJ9 ARG A 126 ? UNP Q80UL9 LYS 144 'ENGINEERED MUTATION' 124 3 1 3MJ9 GLN A 213 ? UNP Q80UL9 ARG 231 'ENGINEERED MUTATION' 211 4 1 3MJ9 HIS A 263 ? UNP Q80UL9 ? ? 'EXPRESSION TAG' 261 5 1 3MJ9 HIS A 264 ? UNP Q80UL9 ? ? 'EXPRESSION TAG' 262 6 1 3MJ9 HIS A 265 ? UNP Q80UL9 ? ? 'EXPRESSION TAG' 263 7 1 3MJ9 HIS A 266 ? UNP Q80UL9 ? ? 'EXPRESSION TAG' 264 8 1 3MJ9 HIS A 267 ? UNP Q80UL9 ? ? 'EXPRESSION TAG' 265 9 1 3MJ9 HIS A 268 ? UNP Q80UL9 ? ? 'EXPRESSION TAG' 266 10 # 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 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 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.entry_id 3MJ9 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.73 _exptl_crystal.density_percent_sol 55.00 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 295 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.0 _exptl_crystal_grow.pdbx_details '1.2-1.4 M NA-MALONATE, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100.0 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 300 mm CCD' _diffrn_detector.pdbx_collection_date 2006-10-22 _diffrn_detector.details 'SI(111) DOUBLE CRYSTAL MONOCHROMATOR. ADJUSTABLE FOCUSING MIRRORS IN K-B GEOMETRY' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'DOUBLE CRYSTAL CRYO-COOLED SI(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9793 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 23-ID-D' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 23-ID-D _diffrn_source.pdbx_wavelength 0.9793 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 3MJ9 _reflns.observed_criterion_sigma_I 0.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30.000 _reflns.d_resolution_high 2.950 _reflns.number_obs 18365 _reflns.number_all ? _reflns.percent_possible_obs 97.7 _reflns.pdbx_Rmerge_I_obs 0.12200 _reflns.pdbx_Rsym_value 0.12200 _reflns.pdbx_netI_over_sigmaI 6.8000 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.100 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 2.95 _reflns_shell.d_res_low 3.06 _reflns_shell.percent_possible_all 99.0 _reflns_shell.Rmerge_I_obs 0.61700 _reflns_shell.pdbx_Rsym_value 0.61700 _reflns_shell.meanI_over_sigI_obs 1.800 _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.entry_id 3MJ9 _refine.ls_number_reflns_obs 17200 _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 2.95 _refine.ls_percent_reflns_obs 97.8 _refine.ls_R_factor_obs 0.225 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.222 _refine.ls_R_factor_R_free 0.287 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.100 _refine.ls_number_reflns_R_free 927 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.928 _refine.correlation_coeff_Fo_to_Fc_free 0.875 _refine.B_iso_mean 77.244 _refine.aniso_B[1][1] -1.23000 _refine.aniso_B[2][2] -1.23000 _refine.aniso_B[3][3] 2.46000 _refine.aniso_B[1][2] 0.00000 _refine.aniso_B[1][3] 0.00000 _refine.aniso_B[2][3] 0.00000 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free 0.473 _refine.overall_SU_ML 0.358 _refine.overall_SU_B 42.292 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _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 4995 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 99 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 5094 _refine_hist.d_res_high 2.95 _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 0.006 0.022 ? 5217 'X-RAY DIFFRACTION' ? r_bond_other_d 0.001 0.020 ? 3452 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.061 1.968 ? 7109 'X-RAY DIFFRACTION' ? r_angle_other_deg 1.303 3.003 ? 8421 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.138 5.000 ? 644 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.308 24.408 ? 211 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 15.482 15.000 ? 844 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 16.668 15.000 ? 24 'X-RAY DIFFRACTION' ? r_chiral_restr 0.066 0.200 ? 829 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.003 0.021 ? 5696 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 994 '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 0.131 0.200 ? 145 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other 0.025 0.200 ? 1 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.132 0.200 ? 38 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other 0.150 0.200 ? 105 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.120 0.200 ? 11 '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 0.606 3.000 ? 3219 'X-RAY DIFFRACTION' ? r_mcbond_other 0.071 3.000 ? 1310 'X-RAY DIFFRACTION' ? r_mcangle_it 1.217 5.000 ? 5231 'X-RAY DIFFRACTION' ? r_scbond_it 1.982 7.000 ? 1998 'X-RAY DIFFRACTION' ? r_scangle_it 3.516 11.000 ? 1878 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.95 _refine_ls_shell.d_res_low 3.03 _refine_ls_shell.number_reflns_R_work 1246 _refine_ls_shell.R_factor_R_work 0.2950 _refine_ls_shell.percent_reflns_obs 98.95 _refine_ls_shell.R_factor_R_free 0.4800 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 72 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3MJ9 _struct.title 'Crystal structure of JAML in complex with the stimulatory antibody HL4E10' _struct.pdbx_descriptor ;Junctional adhesion molecule-like, STIMULATORY HAMSTER ANTIBODY HL4E10 FAB LIGHT CHAIN, STIMULATORY HAMSTER ANTIBODY HL4E10 FAB HEAVY CHAIN ; _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3MJ9 _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text ;IMMUNOGLOBULIN TANDEM DOMAIN, RECEPTOR-ANTIBODY COMPLEX, CELL ADHESION, CELL JUNCTION, GLYCOPROTEIN, IMMUNOGLOBULIN DOMAIN, MEMBRANE, COSTIMULATION, HAMSTER IgG, TRANSMEMBRANE, 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 4 ? E N N 4 ? F N N 4 ? G N N 4 ? H N N 5 ? I N N 6 ? J N N 6 ? K N N 7 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 67 ? GLN A 70 ? GLY A 65 GLN A 68 5 ? 4 HELX_P HELX_P2 2 ASP A 78 ? ASN A 82 ? ASP A 76 ASN A 80 5 ? 5 HELX_P HELX_P3 3 GLN A 92 ? GLU A 96 ? GLN A 90 GLU A 94 5 ? 5 HELX_P HELX_P4 4 LEU A 183 ? ARG A 187 ? LEU A 181 ARG A 185 5 ? 5 HELX_P HELX_P5 5 ASP A 195 ? ASN A 199 ? ASP A 193 ASN A 197 5 ? 5 HELX_P HELX_P6 6 LYS A 209 ? GLN A 213 ? LYS A 207 GLN A 211 5 ? 5 HELX_P HELX_P7 7 LYS B 26 ? VAL B 30 ? LYS L 27 VAL L 31 5 ? 5 HELX_P HELX_P8 8 GLN B 78 ? GLU B 82 ? GLN L 79 GLU L 83 5 ? 5 HELX_P HELX_P9 9 SER B 123 ? LYS B 128 ? SER L 121 LYS L 126 1 ? 6 HELX_P HELX_P10 10 ALA B 183 ? SER B 188 ? ALA L 183 SER L 188 1 ? 6 HELX_P HELX_P11 11 SER C 28 ? TYR C 32 ? SER H 28 TYR H 32 5 ? 5 HELX_P HELX_P12 12 SER C 161 ? ALA C 163 ? SER H 163 ALA H 165 5 ? 3 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 27 SG ? ? ? 1_555 A CYS 101 SG ? ? A CYS 25 A CYS 99 1_555 ? ? ? ? ? ? ? 2.039 ? disulf2 disulf ? ? A CYS 140 SG ? ? ? 1_555 A CYS 218 SG ? ? A CYS 138 A CYS 216 1_555 ? ? ? ? ? ? ? 2.043 ? disulf3 disulf ? ? B CYS 22 SG ? ? ? 1_555 B CYS 87 SG ? ? L CYS 23 L CYS 88 1_555 ? ? ? ? ? ? ? 2.035 ? disulf4 disulf ? ? B CYS 136 SG ? ? ? 1_555 B CYS 194 SG ? ? L CYS 134 L CYS 194 1_555 ? ? ? ? ? ? ? 2.049 ? disulf5 disulf ? ? C CYS 22 SG ? ? ? 1_555 C CYS 95 SG ? ? H CYS 22 H CYS 92 1_555 ? ? ? ? ? ? ? 2.062 ? disulf6 disulf ? ? C CYS 145 SG ? ? ? 1_555 C CYS 200 SG ? ? H CYS 142 H CYS 208 1_555 ? ? ? ? ? ? ? 2.040 ? covale1 covale ? ? H BMA . O3 ? ? ? 1_555 J MAN . C1 ? ? A BMA 503 A MAN 505 1_555 ? ? ? ? ? ? ? 1.434 ? covale2 covale ? ? F NAG . O6 ? ? ? 1_555 K FUC . C1 ? ? A NAG 501 A FUC 506 1_555 ? ? ? ? ? ? ? 1.440 ? covale3 covale ? ? A ASN 61 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 59 A NAG 301 1_555 ? ? ? ? ? ? ? 1.440 ? covale4 covale ? ? H BMA . O6 ? ? ? 1_555 I MAN . C1 ? ? A BMA 503 A MAN 504 1_555 ? ? ? ? ? ? ? 1.443 ? covale5 covale ? ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.445 ? covale6 covale ? ? G NAG . O4 ? ? ? 1_555 H BMA . C1 ? ? A NAG 502 A BMA 503 1_555 ? ? ? ? ? ? ? 1.447 ? covale7 covale ? ? A ASN 71 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 69 A NAG 401 1_555 ? ? ? ? ? ? ? 1.449 ? covale8 covale ? ? A ASN 107 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 105 A NAG 501 1_555 ? ? ? ? ? ? ? 1.479 ? # 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 142 B . ? TYR 140 L PRO 143 B ? PRO 141 L 1 1.23 2 PHE 151 C . ? PHE 148 H PRO 152 C ? PRO 149 H 1 2.75 3 GLU 153 C . ? GLU 150 H PRO 154 C ? PRO 151 H 1 -0.87 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 6 ? B ? 4 ? C ? 4 ? D ? 5 ? E ? 3 ? F ? 5 ? G ? 4 ? H ? 3 ? I ? 4 ? J ? 4 ? K ? 4 ? L ? 4 ? M ? 6 ? N ? 4 ? O ? 4 ? P ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel B 1 2 ? parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? parallel D 1 2 ? parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel F 1 2 ? parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel F 4 5 ? anti-parallel G 1 2 ? parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel I 1 2 ? anti-parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 3 4 ? anti-parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 3 4 ? anti-parallel M 1 2 ? parallel M 2 3 ? anti-parallel M 3 4 ? anti-parallel M 4 5 ? anti-parallel M 5 6 ? anti-parallel N 1 2 ? anti-parallel N 2 3 ? anti-parallel N 3 4 ? anti-parallel O 1 2 ? anti-parallel O 2 3 ? anti-parallel O 3 4 ? anti-parallel P 1 2 ? anti-parallel P 2 3 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 GLN A 14 ? HIS A 18 ? GLN A 12 HIS A 16 A 2 VAL A 116 ? LEU A 121 ? VAL A 114 LEU A 119 A 3 GLY A 97 ? LEU A 105 ? GLY A 95 LEU A 103 A 4 VAL A 37 ? SER A 45 ? VAL A 35 SER A 43 A 5 GLU A 53 ? TYR A 59 ? GLU A 51 TYR A 57 A 6 SER A 63 ? PRO A 65 ? SER A 61 PRO A 63 B 1 GLN A 14 ? HIS A 18 ? GLN A 12 HIS A 16 B 2 VAL A 116 ? LEU A 121 ? VAL A 114 LEU A 119 B 3 GLY A 97 ? LEU A 105 ? GLY A 95 LEU A 103 B 4 MET A 110 ? MET A 112 ? MET A 108 MET A 110 C 1 SER A 73 ? LEU A 75 ? SER A 71 LEU A 73 C 2 LEU A 86 ? LEU A 88 ? LEU A 84 LEU A 86 C 3 VAL A 23 ? MET A 25 ? VAL A 21 MET A 23 C 4 GLN A 143 ? SER A 144 ? GLN A 141 SER A 142 D 1 ASP A 127 ? ARG A 131 ? ASP A 125 ARG A 129 D 2 LEU A 225 ? VAL A 236 ? LEU A 223 VAL A 234 D 3 GLY A 214 ? VAL A 222 ? GLY A 212 VAL A 220 D 4 LYS A 152 ? SER A 158 ? LYS A 150 SER A 156 D 5 GLU A 166 ? ASP A 172 ? GLU A 164 ASP A 170 E 1 THR A 136 ? MET A 138 ? THR A 134 MET A 136 E 2 ILE A 203 ? LEU A 205 ? ILE A 201 LEU A 203 E 3 VAL A 190 ? LEU A 192 ? VAL A 188 LEU A 190 F 1 LEU B 9 ? VAL B 10 ? LEU L 9 VAL L 11 F 2 THR B 103 ? VAL B 105 ? THR L 102 VAL L 104 F 3 ALA B 83 ? ASP B 91 ? ALA L 84 ASP L 92 F 4 HIS B 33 ? GLN B 37 ? HIS L 34 GLN L 38 F 5 VAL B 44 ? ILE B 47 ? VAL L 45 ILE L 48 G 1 LEU B 9 ? VAL B 10 ? LEU L 9 VAL L 11 G 2 THR B 103 ? VAL B 105 ? THR L 102 VAL L 104 G 3 ALA B 83 ? ASP B 91 ? ALA L 84 ASP L 92 G 4 ALA B 96 B PHE B 99 ? ALA L 95 PHE L 98 H 1 ALA B 18 ? SER B 23 ? ALA L 19 SER L 24 H 2 MET B 69 ? ILE B 74 ? MET L 70 ILE L 75 H 3 PHE B 61 ? SER B 66 ? PHE L 62 SER L 67 I 1 SER B 116 ? PHE B 120 ? SER L 114 PHE L 118 I 2 GLN B 131 ? PHE B 141 ? GLN L 129 PHE L 139 I 3 LYS B 172 ? THR B 182 ? LYS L 172 THR L 182 I 4 VAL B 161 ? THR B 163 ? VAL L 159 THR L 161 J 1 SER B 116 ? PHE B 120 ? SER L 114 PHE L 118 J 2 GLN B 131 ? PHE B 141 ? GLN L 129 PHE L 139 J 3 LYS B 172 ? THR B 182 ? LYS L 172 THR L 182 J 4 SER B 167 ? SER B 169 ? SER L 165 SER L 168 K 1 THR B 155 ? ILE B 157 ? THR L 153 ILE L 155 K 2 ALA B 147 ? ALA B 152 ? ALA L 145 ALA L 150 K 3 PHE B 192 ? THR B 197 ? PHE L 192 THR L 197 K 4 THR B 202 ? LEU B 207 ? THR L 204 LEU L 209 L 1 GLN C 3 ? SER C 7 ? GLN H 3 SER H 7 L 2 LEU C 18 ? SER C 25 ? LEU H 18 SER H 25 L 3 GLN C 77 ? LEU C 82 ? GLN H 77 LEU H 82 L 4 VAL C 67 ? ASP C 72 ? VAL H 67 ASP H 72 M 1 LEU C 11 ? LEU C 12 ? LEU H 11 LEU H 12 M 2 ILE C 110 ? VAL C 114 ? ILE H 107 VAL H 111 M 3 ALA C 91 ? HIS C 98 ? ALA H 88 HIS H 95 M 4 GLY C 33 ? GLN C 39 ? GLY H 33 GLN H 39 M 5 LEU C 45 ? ILE C 51 ? LEU H 45 ILE H 51 M 6 THR C 57 ? TYR C 59 ? THR H 57 TYR H 59 N 1 SER C 123 ? LEU C 127 ? SER H 120 LEU H 124 N 2 THR C 140 ? TYR C 150 ? THR H 137 TYR H 147 N 3 LEU C 179 ? PRO C 189 ? LEU H 184 PRO H 194 N 4 HIS C 169 ? THR C 170 ? HIS H 172 THR H 173 O 1 SER C 123 ? LEU C 127 ? SER H 120 LEU H 124 O 2 THR C 140 ? TYR C 150 ? THR H 137 TYR H 147 O 3 LEU C 179 ? PRO C 189 ? LEU H 184 PRO H 194 O 4 VAL C 174 ? HIS C 176 ? VAL H 177 HIS H 179 P 1 THR C 156 ? TRP C 159 ? THR H 153 TRP H 157 P 2 THR C 199 ? HIS C 204 ? THR H 207 HIS H 212 P 3 THR C 209 ? LYS C 214 ? THR H 217 LYS H 222 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N LEU A 15 ? N LEU A 13 O GLU A 117 ? O GLU A 115 A 2 3 O LEU A 118 ? O LEU A 116 N GLY A 97 ? N GLY A 95 A 3 4 O GLU A 102 ? O GLU A 100 N ASP A 41 ? N ASP A 39 A 4 5 N VAL A 40 ? N VAL A 38 O TYR A 58 ? O TYR A 56 A 5 6 N PHE A 57 ? N PHE A 55 O VAL A 64 ? O VAL A 62 B 1 2 N LEU A 15 ? N LEU A 13 O GLU A 117 ? O GLU A 115 B 2 3 O LEU A 118 ? O LEU A 116 N GLY A 97 ? N GLY A 95 B 3 4 N ILE A 103 ? N ILE A 101 O VAL A 111 ? O VAL A 109 C 1 2 N HIS A 74 ? N HIS A 72 O LEU A 87 ? O LEU A 85 C 2 3 O LEU A 86 ? O LEU A 84 N MET A 25 ? N MET A 23 C 3 4 N LEU A 24 ? N LEU A 22 O GLN A 143 ? O GLN A 141 D 1 2 N LEU A 128 ? N LEU A 126 O HIS A 234 ? O HIS A 232 D 2 3 O ILE A 231 ? O ILE A 229 N TYR A 216 ? N TYR A 214 D 3 4 O THR A 217 ? O THR A 215 N MET A 156 ? N MET A 154 D 4 5 N TRP A 155 ? N TRP A 153 O VAL A 168 ? O VAL A 166 E 1 2 N MET A 138 ? N MET A 136 O ILE A 203 ? O ILE A 201 E 2 3 O LYS A 204 ? O LYS A 202 N ASP A 191 ? N ASP A 189 F 1 2 N VAL B 10 ? N VAL L 11 O LYS B 104 ? O LYS L 103 F 2 3 O VAL B 105 ? O VAL L 104 N ALA B 83 ? N ALA L 84 F 3 4 O ASP B 84 ? O ASP L 85 N GLN B 37 ? N GLN L 38 F 4 5 N GLN B 36 ? N GLN L 37 O VAL B 44 ? O VAL L 45 G 1 2 N VAL B 10 ? N VAL L 11 O LYS B 104 ? O LYS L 103 G 2 3 O VAL B 105 ? O VAL L 104 N ALA B 83 ? N ALA L 84 G 3 4 N SER B 89 ? N SER L 90 O VAL B 98 ? O VAL L 97 H 1 2 N ALA B 18 ? N ALA L 19 O ILE B 74 ? O ILE L 75 H 2 3 O THR B 73 ? O THR L 74 N SER B 62 ? N SER L 63 I 1 2 N SER B 116 ? N SER L 114 O ASN B 139 ? O ASN L 137 I 2 3 N LEU B 134 ? N LEU L 132 O LEU B 179 ? O LEU L 179 I 3 4 O TYR B 178 ? O TYR L 178 N LYS B 162 ? N LYS L 160 J 1 2 N SER B 116 ? N SER L 114 O ASN B 139 ? O ASN L 137 J 2 3 N LEU B 134 ? N LEU L 132 O LEU B 179 ? O LEU L 179 J 3 4 O LYS B 172 ? O LYS L 172 N SER B 169 ? N SER L 168 K 1 2 O THR B 155 ? O THR L 153 N ALA B 152 ? N ALA L 150 K 2 3 N THR B 149 ? N THR L 147 O LYS B 195 ? O LYS L 195 K 3 4 N VAL B 196 ? N VAL L 196 O VAL B 203 ? O VAL L 205 L 1 2 N GLN C 3 ? N GLN H 3 O SER C 25 ? O SER H 25 L 2 3 N CYS C 22 ? N CYS H 22 O VAL C 78 ? O VAL H 78 L 3 4 O PHE C 79 ? O PHE H 79 N SER C 70 ? N SER H 70 M 1 2 N LEU C 12 ? N LEU H 12 O THR C 113 ? O THR H 110 M 2 3 O ILE C 110 ? O ILE H 107 N TYR C 93 ? N TYR H 90 M 3 4 O ALA C 96 ? O ALA H 93 N HIS C 35 ? N HIS H 35 M 4 5 N ARG C 38 ? N ARG H 38 O GLU C 46 ? O GLU H 46 M 5 6 N ILE C 50 ? N ILE H 50 O ASP C 58 ? O ASP H 58 N 1 2 N TYR C 125 ? N TYR H 122 O LEU C 146 ? O LEU H 143 N 2 3 N TYR C 150 ? N TYR H 147 O TYR C 180 ? O TYR H 185 N 3 4 O SER C 185 ? O SER H 190 N HIS C 169 ? N HIS H 172 O 1 2 N TYR C 125 ? N TYR H 122 O LEU C 146 ? O LEU H 143 O 2 3 N TYR C 150 ? N TYR H 147 O TYR C 180 ? O TYR H 185 O 3 4 O LEU C 179 ? O LEU H 184 N HIS C 176 ? N HIS H 179 P 1 2 N SER C 158 ? N SER H 156 O ASN C 201 ? O ASN H 209 P 2 3 N HIS C 204 ? N HIS H 212 O THR C 209 ? O THR H 217 # 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 ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 301' AC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 401' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 501' AC4 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE NAG A 502' AC5 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE BMA A 503' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 504' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE MAN A 505' AC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE FUC A 506' # 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 3 ASN A 61 ? ASN A 59 . ? 1_555 ? 2 AC1 3 PHE A 80 ? PHE A 78 . ? 1_555 ? 3 AC1 3 SER B 62 ? SER L 63 . ? 3_444 ? 4 AC2 2 ASN A 71 ? ASN A 69 . ? 1_555 ? 5 AC2 2 GLN A 89 ? GLN A 87 . ? 1_555 ? 6 AC3 6 PRO A 13 ? PRO A 11 . ? 3_444 ? 7 AC3 6 GLN A 14 ? GLN A 12 . ? 3_444 ? 8 AC3 6 LEU A 105 ? LEU A 103 . ? 1_555 ? 9 AC3 6 ASN A 107 ? ASN A 105 . ? 1_555 ? 10 AC3 6 NAG G . ? NAG A 502 . ? 1_555 ? 11 AC3 6 FUC K . ? FUC A 506 . ? 1_555 ? 12 AC4 7 SER A 12 ? SER A 10 . ? 3_444 ? 13 AC4 7 GLN A 14 ? GLN A 12 . ? 3_444 ? 14 AC4 7 ARG A 16 ? ARG A 14 . ? 3_444 ? 15 AC4 7 VAL A 29 ? VAL A 27 . ? 1_555 ? 16 AC4 7 NAG F . ? NAG A 501 . ? 1_555 ? 17 AC4 7 BMA H . ? BMA A 503 . ? 1_555 ? 18 AC4 7 MAN I . ? MAN A 504 . ? 1_555 ? 19 AC5 3 NAG G . ? NAG A 502 . ? 1_555 ? 20 AC5 3 MAN I . ? MAN A 504 . ? 1_555 ? 21 AC5 3 MAN J . ? MAN A 505 . ? 1_555 ? 22 AC6 3 ARG A 16 ? ARG A 14 . ? 3_444 ? 23 AC6 3 NAG G . ? NAG A 502 . ? 1_555 ? 24 AC6 3 BMA H . ? BMA A 503 . ? 1_555 ? 25 AC7 3 VAL A 10 ? VAL A 8 . ? 3_444 ? 26 AC7 3 SER A 11 ? SER A 9 . ? 3_444 ? 27 AC7 3 BMA H . ? BMA A 503 . ? 1_555 ? 28 AC8 6 VAL A 29 ? VAL A 27 . ? 1_555 ? 29 AC8 6 GLN A 30 ? GLN A 28 . ? 1_555 ? 30 AC8 6 THR A 32 ? THR A 30 . ? 1_555 ? 31 AC8 6 HIS A 36 ? HIS A 34 . ? 1_555 ? 32 AC8 6 ASN A 82 ? ASN A 80 . ? 1_555 ? 33 AC8 6 NAG F . ? NAG A 501 . ? 1_555 ? # _database_PDB_matrix.entry_id 3MJ9 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3MJ9 _atom_sites.fract_transf_matrix[1][1] 0.007999 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.007999 _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] 0.009273 _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 . VAL A 1 10 ? -0.869 -67.564 -15.895 1.00 91.42 ? 8 VAL A N 1 ATOM 2 C CA . VAL A 1 10 ? -0.065 -68.526 -15.084 1.00 95.50 ? 8 VAL A CA 1 ATOM 3 C C . VAL A 1 10 ? 0.319 -67.905 -13.747 1.00 95.03 ? 8 VAL A C 1 ATOM 4 O O . VAL A 1 10 ? 0.848 -68.572 -12.858 1.00 98.54 ? 8 VAL A O 1 ATOM 5 C CB . VAL A 1 10 ? 1.219 -68.957 -15.828 1.00 99.71 ? 8 VAL A CB 1 ATOM 6 C CG1 . VAL A 1 10 ? 2.079 -69.844 -14.937 1.00 102.63 ? 8 VAL A CG1 1 ATOM 7 C CG2 . VAL A 1 10 ? 0.870 -69.668 -17.134 1.00 101.09 ? 8 VAL A CG2 1 ATOM 8 N N . SER A 1 11 ? 0.053 -66.612 -13.624 1.00 90.57 ? 9 SER A N 1 ATOM 9 C CA . SER A 1 11 ? 0.315 -65.884 -12.378 1.00 88.72 ? 9 SER A CA 1 ATOM 10 C C . SER A 1 11 ? -0.478 -64.594 -12.329 1.00 83.15 ? 9 SER A C 1 ATOM 11 O O . SER A 1 11 ? -0.204 -63.655 -13.074 1.00 82.76 ? 9 SER A O 1 ATOM 12 C CB . SER A 1 11 ? 1.806 -65.584 -12.231 1.00 91.91 ? 9 SER A CB 1 ATOM 13 O OG . SER A 1 11 ? 2.309 -64.971 -13.404 1.00 93.38 ? 9 SER A OG 1 ATOM 14 N N . SER A 1 12 ? -1.454 -64.572 -11.432 1.00 78.68 ? 10 SER A N 1 ATOM 15 C CA . SER A 1 12 ? -2.470 -63.515 -11.398 1.00 73.20 ? 10 SER A CA 1 ATOM 16 C C . SER A 1 12 ? -1.968 -62.207 -10.799 1.00 70.38 ? 10 SER A C 1 ATOM 17 O O . SER A 1 12 ? -1.660 -62.140 -9.613 1.00 71.11 ? 10 SER A O 1 ATOM 18 C CB . SER A 1 12 ? -3.700 -63.972 -10.606 1.00 72.17 ? 10 SER A CB 1 ATOM 19 O OG . SER A 1 12 ? -4.338 -65.071 -11.228 1.00 73.54 ? 10 SER A OG 1 ATOM 20 N N . PRO A 1 13 ? -1.901 -61.146 -11.614 1.00 66.64 ? 11 PRO A N 1 ATOM 21 C CA . PRO A 1 13 ? -1.687 -59.889 -10.939 1.00 64.46 ? 11 PRO A CA 1 ATOM 22 C C . PRO A 1 13 ? -2.570 -59.805 -9.716 1.00 61.22 ? 11 PRO A C 1 ATOM 23 O O . PRO A 1 13 ? -3.755 -60.161 -9.750 1.00 60.12 ? 11 PRO A O 1 ATOM 24 C CB . PRO A 1 13 ? -2.125 -58.859 -11.976 1.00 63.64 ? 11 PRO A CB 1 ATOM 25 C CG . PRO A 1 13 ? -1.877 -59.514 -13.275 1.00 64.79 ? 11 PRO A CG 1 ATOM 26 C CD . PRO A 1 13 ? -2.140 -60.970 -13.056 1.00 65.79 ? 11 PRO A CD 1 ATOM 27 N N . GLN A 1 14 ? -1.981 -59.300 -8.649 1.00 59.49 ? 12 GLN A N 1 ATOM 28 C CA . GLN A 1 14 ? -2.642 -59.235 -7.358 1.00 56.54 ? 12 GLN A CA 1 ATOM 29 C C . GLN A 1 14 ? -2.866 -57.803 -6.921 1.00 53.45 ? 12 GLN A C 1 ATOM 30 O O . GLN A 1 14 ? -2.002 -56.946 -7.076 1.00 52.82 ? 12 GLN A O 1 ATOM 31 C CB . GLN A 1 14 ? -1.784 -59.956 -6.334 1.00 59.22 ? 12 GLN A CB 1 ATOM 32 C CG . GLN A 1 14 ? -2.547 -60.511 -5.191 1.00 59.68 ? 12 GLN A CG 1 ATOM 33 C CD . GLN A 1 14 ? -1.630 -61.170 -4.207 1.00 63.97 ? 12 GLN A CD 1 ATOM 34 O OE1 . GLN A 1 14 ? -0.756 -60.519 -3.633 1.00 65.46 ? 12 GLN A OE1 1 ATOM 35 N NE2 . GLN A 1 14 ? -1.794 -62.472 -4.027 1.00 69.10 ? 12 GLN A NE2 1 ATOM 36 N N . LEU A 1 15 ? -4.037 -57.556 -6.355 1.00 50.77 ? 13 LEU A N 1 ATOM 37 C CA . LEU A 1 15 ? -4.431 -56.193 -6.002 1.00 49.14 ? 13 LEU A CA 1 ATOM 38 C C . LEU A 1 15 ? -5.119 -56.118 -4.646 1.00 48.47 ? 13 LEU A C 1 ATOM 39 O O . LEU A 1 15 ? -6.212 -56.644 -4.451 1.00 47.60 ? 13 LEU A O 1 ATOM 40 C CB . LEU A 1 15 ? -5.326 -55.623 -7.112 1.00 47.76 ? 13 LEU A CB 1 ATOM 41 C CG . LEU A 1 15 ? -5.022 -54.215 -7.624 1.00 47.43 ? 13 LEU A CG 1 ATOM 42 C CD1 . LEU A 1 15 ? -3.531 -53.999 -7.823 1.00 51.12 ? 13 LEU A CD1 1 ATOM 43 C CD2 . LEU A 1 15 ? -5.769 -53.974 -8.925 1.00 44.55 ? 13 LEU A CD2 1 ATOM 44 N N . ARG A 1 16 ? -4.443 -55.458 -3.712 1.00 49.10 ? 14 ARG A N 1 ATOM 45 C CA . ARG A 1 16 ? -4.957 -55.282 -2.352 1.00 48.67 ? 14 ARG A CA 1 ATOM 46 C C . ARG A 1 16 ? -5.468 -53.888 -2.117 1.00 47.71 ? 14 ARG A C 1 ATOM 47 O O . ARG A 1 16 ? -4.730 -52.913 -2.211 1.00 48.38 ? 14 ARG A O 1 ATOM 48 C CB . ARG A 1 16 ? -3.882 -55.550 -1.309 1.00 50.67 ? 14 ARG A CB 1 ATOM 49 C CG . ARG A 1 16 ? -3.204 -56.873 -1.438 1.00 53.14 ? 14 ARG A CG 1 ATOM 50 C CD . ARG A 1 16 ? -2.559 -57.279 -0.126 1.00 58.73 ? 14 ARG A CD 1 ATOM 51 N NE . ARG A 1 16 ? -1.482 -58.229 -0.359 1.00 64.90 ? 14 ARG A NE 1 ATOM 52 C CZ . ARG A 1 16 ? -1.667 -59.502 -0.685 1.00 70.57 ? 14 ARG A CZ 1 ATOM 53 N NH1 . ARG A 1 16 ? -2.893 -59.997 -0.809 1.00 72.52 ? 14 ARG A NH1 1 ATOM 54 N NH2 . ARG A 1 16 ? -0.620 -60.280 -0.889 1.00 75.16 ? 14 ARG A NH2 1 ATOM 55 N N . VAL A 1 17 ? -6.739 -53.814 -1.769 1.00 46.78 ? 15 VAL A N 1 ATOM 56 C CA . VAL A 1 17 ? -7.368 -52.541 -1.452 1.00 47.06 ? 15 VAL A CA 1 ATOM 57 C C . VAL A 1 17 ? -8.194 -52.646 -0.196 1.00 46.44 ? 15 VAL A C 1 ATOM 58 O O . VAL A 1 17 ? -8.739 -53.699 0.121 1.00 45.57 ? 15 VAL A O 1 ATOM 59 C CB . VAL A 1 17 ? -8.269 -52.063 -2.605 1.00 46.63 ? 15 VAL A CB 1 ATOM 60 C CG1 . VAL A 1 17 ? -7.467 -51.992 -3.890 1.00 47.87 ? 15 VAL A CG1 1 ATOM 61 C CG2 . VAL A 1 17 ? -9.462 -52.989 -2.770 1.00 45.13 ? 15 VAL A CG2 1 ATOM 62 N N . HIS A 1 18 ? -8.270 -51.533 0.514 1.00 46.82 ? 16 HIS A N 1 ATOM 63 C CA . HIS A 1 18 ? -9.095 -51.451 1.716 1.00 47.04 ? 16 HIS A CA 1 ATOM 64 C C . HIS A 1 18 ? -10.560 -51.392 1.344 1.00 45.95 ? 16 HIS A C 1 ATOM 65 O O . HIS A 1 18 ? -10.939 -50.861 0.310 1.00 44.98 ? 16 HIS A O 1 ATOM 66 C CB . HIS A 1 18 ? -8.721 -50.232 2.558 1.00 48.91 ? 16 HIS A CB 1 ATOM 67 C CG . HIS A 1 18 ? -7.351 -50.311 3.149 1.00 50.22 ? 16 HIS A CG 1 ATOM 68 N ND1 . HIS A 1 18 ? -7.076 -51.025 4.295 1.00 52.93 ? 16 HIS A ND1 1 ATOM 69 C CD2 . HIS A 1 18 ? -6.177 -49.767 2.752 1.00 52.37 ? 16 HIS A CD2 1 ATOM 70 C CE1 . HIS A 1 18 ? -5.791 -50.914 4.581 1.00 56.12 ? 16 HIS A CE1 1 ATOM 71 N NE2 . HIS A 1 18 ? -5.223 -50.157 3.660 1.00 55.75 ? 16 HIS A NE2 1 ATOM 72 N N . VAL A 1 19 ? -11.382 -51.953 2.211 1.00 47.05 ? 17 VAL A N 1 ATOM 73 C CA . VAL A 1 19 ? -12.827 -51.841 2.069 1.00 47.74 ? 17 VAL A CA 1 ATOM 74 C C . VAL A 1 19 ? -13.190 -50.379 1.883 1.00 49.78 ? 17 VAL A C 1 ATOM 75 O O . VAL A 1 19 ? -12.694 -49.500 2.586 1.00 50.47 ? 17 VAL A O 1 ATOM 76 C CB . VAL A 1 19 ? -13.582 -52.397 3.306 1.00 49.19 ? 17 VAL A CB 1 ATOM 77 C CG1 . VAL A 1 19 ? -15.035 -51.968 3.280 1.00 50.30 ? 17 VAL A CG1 1 ATOM 78 C CG2 . VAL A 1 19 ? -13.469 -53.914 3.376 1.00 46.25 ? 17 VAL A CG2 1 ATOM 79 N N . GLY A 1 20 ? -14.049 -50.142 0.903 1.00 51.43 ? 18 GLY A N 1 ATOM 80 C CA . GLY A 1 20 ? -14.595 -48.822 0.636 1.00 54.39 ? 18 GLY A CA 1 ATOM 81 C C . GLY A 1 20 ? -13.869 -48.080 -0.460 1.00 54.88 ? 18 GLY A C 1 ATOM 82 O O . GLY A 1 20 ? -14.378 -47.102 -1.003 1.00 57.80 ? 18 GLY A O 1 ATOM 83 N N . GLU A 1 21 ? -12.674 -48.549 -0.786 1.00 54.15 ? 19 GLU A N 1 ATOM 84 C CA . GLU A 1 21 ? -11.841 -47.886 -1.802 1.00 55.15 ? 19 GLU A CA 1 ATOM 85 C C . GLU A 1 21 ? -12.203 -48.306 -3.217 1.00 53.63 ? 19 GLU A C 1 ATOM 86 O O . GLU A 1 21 ? -13.033 -49.191 -3.440 1.00 52.24 ? 19 GLU A O 1 ATOM 87 C CB . GLU A 1 21 ? -10.354 -48.126 -1.544 1.00 54.90 ? 19 GLU A CB 1 ATOM 88 C CG . GLU A 1 21 ? -9.905 -47.596 -0.189 1.00 62.58 ? 19 GLU A CG 1 ATOM 89 C CD . GLU A 1 21 ? -8.402 -47.391 -0.089 1.00 71.57 ? 19 GLU A CD 1 ATOM 90 O OE1 . GLU A 1 21 ? -7.635 -48.332 -0.413 1.00 73.76 ? 19 GLU A OE1 1 ATOM 91 O OE2 . GLU A 1 21 ? -7.992 -46.284 0.335 1.00 79.32 ? 19 GLU A OE2 1 ATOM 92 N N . SER A 1 22 ? -11.552 -47.651 -4.166 1.00 53.98 ? 20 SER A N 1 ATOM 93 C CA . SER A 1 22 ? -11.803 -47.880 -5.587 1.00 53.39 ? 20 SER A CA 1 ATOM 94 C C . SER A 1 22 ? -10.642 -48.596 -6.243 1.00 51.64 ? 20 SER A C 1 ATOM 95 O O . SER A 1 22 ? -9.476 -48.325 -5.962 1.00 52.18 ? 20 SER A O 1 ATOM 96 C CB . SER A 1 22 ? -12.072 -46.557 -6.313 1.00 55.59 ? 20 SER A CB 1 ATOM 97 O OG . SER A 1 22 ? -13.290 -45.969 -5.882 1.00 61.11 ? 20 SER A OG 1 ATOM 98 N N . VAL A 1 23 ? -10.991 -49.521 -7.122 1.00 50.71 ? 21 VAL A N 1 ATOM 99 C CA . VAL A 1 23 ? -10.011 -50.217 -7.954 1.00 50.02 ? 21 VAL A CA 1 ATOM 100 C C . VAL A 1 23 ? -10.316 -50.007 -9.410 1.00 50.66 ? 21 VAL A C 1 ATOM 101 O O . VAL A 1 23 ? -11.467 -50.018 -9.835 1.00 51.73 ? 21 VAL A O 1 ATOM 102 C CB . VAL A 1 23 ? -9.984 -51.740 -7.727 1.00 48.47 ? 21 VAL A CB 1 ATOM 103 C CG1 . VAL A 1 23 ? -8.923 -52.107 -6.720 1.00 49.76 ? 21 VAL A CG1 1 ATOM 104 C CG2 . VAL A 1 23 ? -11.359 -52.261 -7.317 1.00 48.41 ? 21 VAL A CG2 1 ATOM 105 N N . LEU A 1 24 ? -9.257 -49.812 -10.170 1.00 51.35 ? 22 LEU A N 1 ATOM 106 C CA . LEU A 1 24 ? -9.351 -49.808 -11.611 1.00 51.42 ? 22 LEU A CA 1 ATOM 107 C C . LEU A 1 24 ? -8.574 -51.007 -12.127 1.00 51.19 ? 22 LEU A C 1 ATOM 108 O O . LEU A 1 24 ? -7.418 -51.232 -11.764 1.00 50.12 ? 22 LEU A O 1 ATOM 109 C CB . LEU A 1 24 ? -8.815 -48.495 -12.164 1.00 53.22 ? 22 LEU A CB 1 ATOM 110 C CG . LEU A 1 24 ? -9.045 -48.198 -13.640 1.00 53.21 ? 22 LEU A CG 1 ATOM 111 C CD1 . LEU A 1 24 ? -8.894 -46.709 -13.886 1.00 52.87 ? 22 LEU A CD1 1 ATOM 112 C CD2 . LEU A 1 24 ? -8.087 -48.997 -14.511 1.00 55.25 ? 22 LEU A CD2 1 ATOM 113 N N . MET A 1 25 ? -9.244 -51.797 -12.952 1.00 51.91 ? 23 MET A N 1 ATOM 114 C CA . MET A 1 25 ? -8.666 -53.026 -13.475 1.00 51.87 ? 23 MET A CA 1 ATOM 115 C C . MET A 1 25 ? -8.548 -52.952 -14.971 1.00 51.93 ? 23 MET A C 1 ATOM 116 O O . MET A 1 25 ? -9.525 -53.078 -15.699 1.00 51.49 ? 23 MET A O 1 ATOM 117 C CB . MET A 1 25 ? -9.504 -54.224 -13.056 1.00 51.75 ? 23 MET A CB 1 ATOM 118 C CG . MET A 1 25 ? -9.221 -54.636 -11.631 1.00 53.90 ? 23 MET A CG 1 ATOM 119 S SD . MET A 1 25 ? -10.292 -55.944 -11.032 1.00 58.40 ? 23 MET A SD 1 ATOM 120 C CE . MET A 1 25 ? -11.858 -55.082 -10.936 1.00 61.81 ? 23 MET A CE 1 ATOM 121 N N . GLY A 1 26 ? -7.314 -52.749 -15.401 1.00 53.55 ? 24 GLY A N 1 ATOM 122 C CA . GLY A 1 26 ? -6.987 -52.522 -16.798 1.00 55.16 ? 24 GLY A CA 1 ATOM 123 C C . GLY A 1 26 ? -7.426 -53.622 -17.733 1.00 55.01 ? 24 GLY A C 1 ATOM 124 O O . GLY A 1 26 ? -7.499 -54.794 -17.378 1.00 54.67 ? 24 GLY A O 1 ATOM 125 N N . CYS A 1 27 ? -7.742 -53.208 -18.943 1.00 56.74 ? 25 CYS A N 1 ATOM 126 C CA . CYS A 1 27 ? -8.015 -54.148 -20.022 1.00 57.44 ? 25 CYS A CA 1 ATOM 127 C C . CYS A 1 27 ? -7.874 -53.473 -21.368 1.00 58.72 ? 25 CYS A C 1 ATOM 128 O O . CYS A 1 27 ? -8.842 -53.002 -21.947 1.00 59.07 ? 25 CYS A O 1 ATOM 129 C CB . CYS A 1 27 ? -9.412 -54.736 -19.884 1.00 56.92 ? 25 CYS A CB 1 ATOM 130 S SG . CYS A 1 27 ? -9.718 -56.156 -20.962 1.00 59.04 ? 25 CYS A SG 1 ATOM 131 N N . VAL A 1 28 ? -6.642 -53.427 -21.843 1.00 60.34 ? 26 VAL A N 1 ATOM 132 C CA . VAL A 1 28 ? -6.343 -52.794 -23.105 1.00 62.31 ? 26 VAL A CA 1 ATOM 133 C C . VAL A 1 28 ? -5.553 -53.689 -24.025 1.00 63.81 ? 26 VAL A C 1 ATOM 134 O O . VAL A 1 28 ? -4.480 -54.182 -23.676 1.00 64.97 ? 26 VAL A O 1 ATOM 135 C CB . VAL A 1 28 ? -5.512 -51.522 -22.902 1.00 64.10 ? 26 VAL A CB 1 ATOM 136 C CG1 . VAL A 1 28 ? -5.006 -51.003 -24.261 1.00 65.24 ? 26 VAL A CG1 1 ATOM 137 C CG2 . VAL A 1 28 ? -6.332 -50.483 -22.156 1.00 64.70 ? 26 VAL A CG2 1 ATOM 138 N N . VAL A 1 29 ? -6.112 -53.877 -25.211 1.00 64.28 ? 27 VAL A N 1 ATOM 139 C CA . VAL A 1 29 ? -5.330 -54.255 -26.377 1.00 66.01 ? 27 VAL A CA 1 ATOM 140 C C . VAL A 1 29 ? -4.697 -52.959 -26.849 1.00 68.89 ? 27 VAL A C 1 ATOM 141 O O . VAL A 1 29 ? -5.222 -51.872 -26.616 1.00 70.60 ? 27 VAL A O 1 ATOM 142 C CB . VAL A 1 29 ? -6.206 -54.868 -27.469 1.00 65.26 ? 27 VAL A CB 1 ATOM 143 C CG1 . VAL A 1 29 ? -5.365 -55.706 -28.420 1.00 68.39 ? 27 VAL A CG1 1 ATOM 144 C CG2 . VAL A 1 29 ? -7.292 -55.720 -26.848 1.00 60.81 ? 27 VAL A CG2 1 ATOM 145 N N . GLN A 1 30 ? -3.541 -53.073 -27.471 1.00 71.29 ? 28 GLN A N 1 ATOM 146 C CA . GLN A 1 30 ? -2.793 -51.880 -27.868 1.00 75.44 ? 28 GLN A CA 1 ATOM 147 C C . GLN A 1 30 ? -3.716 -50.782 -28.391 1.00 75.69 ? 28 GLN A C 1 ATOM 148 O O . GLN A 1 30 ? -4.388 -50.941 -29.408 1.00 74.72 ? 28 GLN A O 1 ATOM 149 C CB . GLN A 1 30 ? -1.715 -52.213 -28.907 1.00 78.49 ? 28 GLN A CB 1 ATOM 150 C CG . GLN A 1 30 ? -2.252 -52.661 -30.248 1.00 79.56 ? 28 GLN A CG 1 ATOM 151 C CD . GLN A 1 30 ? -1.207 -52.559 -31.335 1.00 86.63 ? 28 GLN A CD 1 ATOM 152 O OE1 . GLN A 1 30 ? -0.051 -52.939 -31.138 1.00 91.52 ? 28 GLN A OE1 1 ATOM 153 N NE2 . GLN A 1 30 ? -1.602 -52.037 -32.493 1.00 89.72 ? 28 GLN A NE2 1 ATOM 154 N N . ARG A 1 31 ? -3.731 -49.669 -27.671 1.00 77.22 ? 29 ARG A N 1 ATOM 155 C CA . ARG A 1 31 ? -4.532 -48.509 -28.061 1.00 79.04 ? 29 ARG A CA 1 ATOM 156 C C . ARG A 1 31 ? -4.163 -48.048 -29.454 1.00 82.21 ? 29 ARG A C 1 ATOM 157 O O . ARG A 1 31 ? -3.053 -47.578 -29.692 1.00 85.49 ? 29 ARG A O 1 ATOM 158 C CB . ARG A 1 31 ? -4.353 -47.335 -27.083 1.00 80.77 ? 29 ARG A CB 1 ATOM 159 C CG . ARG A 1 31 ? -4.961 -47.562 -25.708 1.00 79.17 ? 29 ARG A CG 1 ATOM 160 C CD . ARG A 1 31 ? -3.900 -47.868 -24.659 1.00 80.32 ? 29 ARG A CD 1 ATOM 161 N NE . ARG A 1 31 ? -3.351 -46.657 -24.053 1.00 83.11 ? 29 ARG A NE 1 ATOM 162 C CZ . ARG A 1 31 ? -3.982 -45.936 -23.132 1.00 83.51 ? 29 ARG A CZ 1 ATOM 163 N NH1 . ARG A 1 31 ? -5.189 -46.298 -22.719 1.00 82.18 ? 29 ARG A NH1 1 ATOM 164 N NH2 . ARG A 1 31 ? -3.414 -44.851 -22.627 1.00 86.28 ? 29 ARG A NH2 1 ATOM 165 N N . THR A 1 32 ? -5.112 -48.172 -30.369 1.00 82.33 ? 30 THR A N 1 ATOM 166 C CA . THR A 1 32 ? -4.982 -47.579 -31.702 1.00 85.80 ? 30 THR A CA 1 ATOM 167 C C . THR A 1 32 ? -6.171 -46.684 -31.991 1.00 87.13 ? 30 THR A C 1 ATOM 168 O O . THR A 1 32 ? -7.154 -46.661 -31.248 1.00 85.85 ? 30 THR A O 1 ATOM 169 C CB . THR A 1 32 ? -4.867 -48.644 -32.815 1.00 85.33 ? 30 THR A CB 1 ATOM 170 O OG1 . THR A 1 32 ? -6.098 -49.371 -32.922 1.00 83.23 ? 30 THR A OG1 1 ATOM 171 C CG2 . THR A 1 32 ? -3.713 -49.609 -32.529 1.00 84.81 ? 30 THR A CG2 1 ATOM 172 N N . GLU A 1 33 ? -6.058 -45.942 -33.080 1.00 90.86 ? 31 GLU A N 1 ATOM 173 C CA . GLU A 1 33 ? -7.122 -45.026 -33.506 1.00 93.27 ? 31 GLU A CA 1 ATOM 174 C C . GLU A 1 33 ? -8.131 -45.800 -34.327 1.00 91.45 ? 31 GLU A C 1 ATOM 175 O O . GLU A 1 33 ? -8.854 -45.241 -35.151 1.00 94.25 ? 31 GLU A O 1 ATOM 176 C CB . GLU A 1 33 ? -6.568 -43.849 -34.321 1.00 98.43 ? 31 GLU A CB 1 ATOM 177 C CG . GLU A 1 33 ? -7.370 -42.560 -34.172 1.00 102.45 ? 31 GLU A CG 1 ATOM 178 C CD . GLU A 1 33 ? -7.246 -41.949 -32.780 1.00 105.64 ? 31 GLU A CD 1 ATOM 179 O OE1 . GLU A 1 33 ? -6.499 -40.964 -32.637 1.00 111.77 ? 31 GLU A OE1 1 ATOM 180 O OE2 . GLU A 1 33 ? -7.880 -42.450 -31.825 1.00 103.40 ? 31 GLU A OE2 1 ATOM 181 N N . GLU A 1 34 ? -8.155 -47.100 -34.077 1.00 87.38 ? 32 GLU A N 1 ATOM 182 C CA . GLU A 1 34 ? -9.019 -48.018 -34.805 1.00 85.49 ? 32 GLU A CA 1 ATOM 183 C C . GLU A 1 34 ? -9.711 -48.968 -33.853 1.00 80.76 ? 32 GLU A C 1 ATOM 184 O O . GLU A 1 34 ? -9.076 -49.833 -33.251 1.00 78.74 ? 32 GLU A O 1 ATOM 185 C CB . GLU A 1 34 ? -8.197 -48.826 -35.809 1.00 86.72 ? 32 GLU A CB 1 ATOM 186 C CG . GLU A 1 34 ? -7.464 -47.987 -36.859 1.00 93.73 ? 32 GLU A CG 1 ATOM 187 C CD . GLU A 1 34 ? -6.316 -48.744 -37.527 1.00 96.77 ? 32 GLU A CD 1 ATOM 188 O OE1 . GLU A 1 34 ? -5.599 -49.494 -36.826 1.00 96.80 ? 32 GLU A OE1 1 ATOM 189 O OE2 . GLU A 1 34 ? -6.129 -48.581 -38.752 1.00 97.29 ? 32 GLU A OE2 1 ATOM 190 N N . LYS A 1 35 ? -11.018 -48.794 -33.728 1.00 79.03 ? 33 LYS A N 1 ATOM 191 C CA . LYS A 1 35 ? -11.828 -49.652 -32.869 1.00 74.78 ? 33 LYS A CA 1 ATOM 192 C C . LYS A 1 35 ? -11.885 -51.055 -33.435 1.00 71.99 ? 33 LYS A C 1 ATOM 193 O O . LYS A 1 35 ? -12.535 -51.304 -34.446 1.00 73.15 ? 33 LYS A O 1 ATOM 194 C CB . LYS A 1 35 ? -13.250 -49.109 -32.717 1.00 75.59 ? 33 LYS A CB 1 ATOM 195 C CG . LYS A 1 35 ? -14.072 -49.900 -31.722 1.00 74.11 ? 33 LYS A CG 1 ATOM 196 C CD . LYS A 1 35 ? -15.556 -49.590 -31.808 1.00 76.28 ? 33 LYS A CD 1 ATOM 197 C CE . LYS A 1 35 ? -16.307 -50.215 -30.637 1.00 74.53 ? 33 LYS A CE 1 ATOM 198 N NZ . LYS A 1 35 ? -17.756 -50.392 -30.917 1.00 78.14 ? 33 LYS A NZ 1 ATOM 199 N N . HIS A 1 36 ? -11.189 -51.965 -32.768 1.00 68.73 ? 34 HIS A N 1 ATOM 200 C CA . HIS A 1 36 ? -11.196 -53.382 -33.143 1.00 66.13 ? 34 HIS A CA 1 ATOM 201 C C . HIS A 1 36 ? -11.920 -54.226 -32.111 1.00 62.13 ? 34 HIS A C 1 ATOM 202 O O . HIS A 1 36 ? -12.157 -55.417 -32.308 1.00 61.22 ? 34 HIS A O 1 ATOM 203 C CB . HIS A 1 36 ? -9.768 -53.887 -33.342 1.00 66.37 ? 34 HIS A CB 1 ATOM 204 C CG . HIS A 1 36 ? -9.115 -53.357 -34.580 1.00 71.15 ? 34 HIS A CG 1 ATOM 205 N ND1 . HIS A 1 36 ? -8.155 -52.369 -34.553 1.00 74.84 ? 34 HIS A ND1 1 ATOM 206 C CD2 . HIS A 1 36 ? -9.301 -53.665 -35.887 1.00 74.85 ? 34 HIS A CD2 1 ATOM 207 C CE1 . HIS A 1 36 ? -7.765 -52.104 -35.787 1.00 79.04 ? 34 HIS A CE1 1 ATOM 208 N NE2 . HIS A 1 36 ? -8.445 -52.875 -36.616 1.00 78.04 ? 34 HIS A NE2 1 ATOM 209 N N . VAL A 1 37 ? -12.282 -53.580 -31.014 1.00 60.13 ? 35 VAL A N 1 ATOM 210 C CA . VAL A 1 37 ? -13.009 -54.238 -29.917 1.00 57.40 ? 35 VAL A CA 1 ATOM 211 C C . VAL A 1 37 ? -14.477 -54.430 -30.259 1.00 57.20 ? 35 VAL A C 1 ATOM 212 O O . VAL A 1 37 ? -15.220 -53.472 -30.454 1.00 58.67 ? 35 VAL A O 1 ATOM 213 C CB . VAL A 1 37 ? -12.911 -53.442 -28.606 1.00 56.75 ? 35 VAL A CB 1 ATOM 214 C CG1 . VAL A 1 37 ? -14.010 -53.873 -27.660 1.00 55.38 ? 35 VAL A CG1 1 ATOM 215 C CG2 . VAL A 1 37 ? -11.532 -53.626 -27.991 1.00 54.05 ? 35 VAL A CG2 1 ATOM 216 N N . ASP A 1 38 ? -14.885 -55.687 -30.309 1.00 55.54 ? 36 ASP A N 1 ATOM 217 C CA . ASP A 1 38 ? -16.263 -56.040 -30.668 1.00 56.74 ? 36 ASP A CA 1 ATOM 218 C C . ASP A 1 38 ? -17.110 -56.132 -29.410 1.00 55.78 ? 36 ASP A C 1 ATOM 219 O O . ASP A 1 38 ? -18.151 -55.493 -29.274 1.00 56.70 ? 36 ASP A O 1 ATOM 220 C CB . ASP A 1 38 ? -16.295 -57.378 -31.412 1.00 57.06 ? 36 ASP A CB 1 ATOM 221 C CG . ASP A 1 38 ? -17.551 -57.562 -32.227 1.00 61.40 ? 36 ASP A CG 1 ATOM 222 O OD1 . ASP A 1 38 ? -17.797 -56.747 -33.143 1.00 66.58 ? 36 ASP A OD1 1 ATOM 223 O OD2 . ASP A 1 38 ? -18.291 -58.530 -31.958 1.00 67.64 ? 36 ASP A OD2 1 ATOM 224 N N . ARG A 1 39 ? -16.630 -56.957 -28.497 1.00 54.06 ? 37 ARG A N 1 ATOM 225 C CA . ARG A 1 39 ? -17.229 -57.101 -27.176 1.00 53.34 ? 37 ARG A CA 1 ATOM 226 C C . ARG A 1 39 ? -16.196 -57.016 -26.072 1.00 50.83 ? 37 ARG A C 1 ATOM 227 O O . ARG A 1 39 ? -15.024 -57.359 -26.255 1.00 50.46 ? 37 ARG A O 1 ATOM 228 C CB . ARG A 1 39 ? -17.963 -58.436 -27.054 1.00 54.13 ? 37 ARG A CB 1 ATOM 229 C CG . ARG A 1 39 ? -19.409 -58.404 -27.498 1.00 58.81 ? 37 ARG A CG 1 ATOM 230 C CD . ARG A 1 39 ? -20.283 -59.281 -26.594 1.00 62.55 ? 37 ARG A CD 1 ATOM 231 N NE . ARG A 1 39 ? -19.550 -60.437 -26.072 1.00 64.64 ? 37 ARG A NE 1 ATOM 232 C CZ . ARG A 1 39 ? -19.382 -61.585 -26.724 1.00 64.24 ? 37 ARG A CZ 1 ATOM 233 N NH1 . ARG A 1 39 ? -19.903 -61.752 -27.929 1.00 66.30 ? 37 ARG A NH1 1 ATOM 234 N NH2 . ARG A 1 39 ? -18.690 -62.570 -26.169 1.00 62.23 ? 37 ARG A NH2 1 ATOM 235 N N . VAL A 1 40 ? -16.663 -56.555 -24.923 1.00 50.11 ? 38 VAL A N 1 ATOM 236 C CA . VAL A 1 40 ? -15.876 -56.582 -23.693 1.00 48.59 ? 38 VAL A CA 1 ATOM 237 C C . VAL A 1 40 ? -16.683 -57.195 -22.573 1.00 48.61 ? 38 VAL A C 1 ATOM 238 O O . VAL A 1 40 ? -17.759 -56.717 -22.242 1.00 49.40 ? 38 VAL A O 1 ATOM 239 C CB . VAL A 1 40 ? -15.448 -55.175 -23.253 1.00 48.67 ? 38 VAL A CB 1 ATOM 240 C CG1 . VAL A 1 40 ? -14.646 -55.250 -21.969 1.00 44.20 ? 38 VAL A CG1 1 ATOM 241 C CG2 . VAL A 1 40 ? -14.646 -54.501 -24.350 1.00 50.90 ? 38 VAL A CG2 1 ATOM 242 N N . ASP A 1 41 ? -16.137 -58.252 -21.990 1.00 48.25 ? 39 ASP A N 1 ATOM 243 C CA . ASP A 1 41 ? -16.788 -58.953 -20.889 1.00 48.40 ? 39 ASP A CA 1 ATOM 244 C C . ASP A 1 41 ? -15.908 -58.994 -19.658 1.00 46.33 ? 39 ASP A C 1 ATOM 245 O O . ASP A 1 41 ? -14.742 -59.377 -19.718 1.00 46.00 ? 39 ASP A O 1 ATOM 246 C CB . ASP A 1 41 ? -17.122 -60.378 -21.307 1.00 49.75 ? 39 ASP A CB 1 ATOM 247 C CG . ASP A 1 41 ? -17.785 -60.444 -22.662 1.00 55.63 ? 39 ASP A CG 1 ATOM 248 O OD1 . ASP A 1 41 ? -18.863 -59.834 -22.836 1.00 60.85 ? 39 ASP A OD1 1 ATOM 249 O OD2 . ASP A 1 41 ? -17.229 -61.117 -23.555 1.00 63.31 ? 39 ASP A OD2 1 ATOM 250 N N . TRP A 1 42 ? -16.494 -58.594 -18.542 1.00 45.65 ? 40 TRP A N 1 ATOM 251 C CA . TRP A 1 42 ? -15.853 -58.709 -17.237 1.00 44.21 ? 40 TRP A CA 1 ATOM 252 C C . TRP A 1 42 ? -16.585 -59.719 -16.372 1.00 45.49 ? 40 TRP A C 1 ATOM 253 O O . TRP A 1 42 ? -17.769 -59.571 -16.087 1.00 47.80 ? 40 TRP A O 1 ATOM 254 C CB . TRP A 1 42 ? -15.823 -57.356 -16.536 1.00 43.89 ? 40 TRP A CB 1 ATOM 255 C CG . TRP A 1 42 ? -14.715 -56.482 -16.989 1.00 42.02 ? 40 TRP A CG 1 ATOM 256 C CD1 . TRP A 1 42 ? -14.787 -55.478 -17.898 1.00 43.13 ? 40 TRP A CD1 1 ATOM 257 C CD2 . TRP A 1 42 ? -13.355 -56.530 -16.546 1.00 41.90 ? 40 TRP A CD2 1 ATOM 258 N NE1 . TRP A 1 42 ? -13.554 -54.892 -18.057 1.00 42.77 ? 40 TRP A NE1 1 ATOM 259 C CE2 . TRP A 1 42 ? -12.656 -55.524 -17.240 1.00 43.54 ? 40 TRP A CE2 1 ATOM 260 C CE3 . TRP A 1 42 ? -12.658 -57.332 -15.638 1.00 40.29 ? 40 TRP A CE3 1 ATOM 261 C CZ2 . TRP A 1 42 ? -11.300 -55.290 -17.046 1.00 45.22 ? 40 TRP A CZ2 1 ATOM 262 C CZ3 . TRP A 1 42 ? -11.316 -57.104 -15.447 1.00 41.20 ? 40 TRP A CZ3 1 ATOM 263 C CH2 . TRP A 1 42 ? -10.647 -56.087 -16.143 1.00 46.00 ? 40 TRP A CH2 1 ATOM 264 N N . LEU A 1 43 ? -15.862 -60.747 -15.959 1.00 45.42 ? 41 LEU A N 1 ATOM 265 C CA . LEU A 1 43 ? -16.426 -61.798 -15.116 1.00 47.31 ? 41 LEU A CA 1 ATOM 266 C C . LEU A 1 43 ? -15.791 -61.814 -13.743 1.00 47.85 ? 41 LEU A C 1 ATOM 267 O O . LEU A 1 43 ? -14.606 -61.509 -13.573 1.00 47.66 ? 41 LEU A O 1 ATOM 268 C CB . LEU A 1 43 ? -16.250 -63.161 -15.775 1.00 48.26 ? 41 LEU A CB 1 ATOM 269 C CG . LEU A 1 43 ? -17.186 -63.450 -16.947 1.00 52.50 ? 41 LEU A CG 1 ATOM 270 C CD1 . LEU A 1 43 ? -16.656 -64.616 -17.756 1.00 54.82 ? 41 LEU A CD1 1 ATOM 271 C CD2 . LEU A 1 43 ? -18.606 -63.738 -16.454 1.00 58.33 ? 41 LEU A CD2 1 ATOM 272 N N . PHE A 1 44 ? -16.608 -62.175 -12.766 1.00 49.64 ? 42 PHE A N 1 ATOM 273 C CA . PHE A 1 44 ? -16.171 -62.287 -11.378 1.00 50.27 ? 42 PHE A CA 1 ATOM 274 C C . PHE A 1 44 ? -16.371 -63.694 -10.854 1.00 51.90 ? 42 PHE A C 1 ATOM 275 O O . PHE A 1 44 ? -17.363 -64.351 -11.142 1.00 52.72 ? 42 PHE A O 1 ATOM 276 C CB . PHE A 1 44 ? -16.931 -61.287 -10.506 1.00 51.38 ? 42 PHE A CB 1 ATOM 277 C CG . PHE A 1 44 ? -16.693 -61.459 -9.031 1.00 54.49 ? 42 PHE A CG 1 ATOM 278 C CD1 . PHE A 1 44 ? -15.574 -60.921 -8.428 1.00 55.57 ? 42 PHE A CD1 1 ATOM 279 C CD2 . PHE A 1 44 ? -17.599 -62.150 -8.245 1.00 59.22 ? 42 PHE A CD2 1 ATOM 280 C CE1 . PHE A 1 44 ? -15.363 -61.073 -7.072 1.00 58.05 ? 42 PHE A CE1 1 ATOM 281 C CE2 . PHE A 1 44 ? -17.389 -62.303 -6.888 1.00 59.87 ? 42 PHE A CE2 1 ATOM 282 C CZ . PHE A 1 44 ? -16.270 -61.766 -6.302 1.00 58.34 ? 42 PHE A CZ 1 ATOM 283 N N . SER A 1 45 ? -15.385 -64.157 -10.105 1.00 53.26 ? 43 SER A N 1 ATOM 284 C CA . SER A 1 45 ? -15.464 -65.462 -9.451 1.00 57.12 ? 43 SER A CA 1 ATOM 285 C C . SER A 1 45 ? -14.769 -65.430 -8.097 1.00 58.66 ? 43 SER A C 1 ATOM 286 O O . SER A 1 45 ? -13.784 -64.717 -7.915 1.00 56.61 ? 43 SER A O 1 ATOM 287 C CB . SER A 1 45 ? -14.857 -66.548 -10.342 1.00 57.57 ? 43 SER A CB 1 ATOM 288 O OG . SER A 1 45 ? -15.433 -67.812 -10.062 1.00 61.57 ? 43 SER A OG 1 ATOM 289 N N . LYS A 1 46 ? -15.309 -66.197 -7.156 1.00 62.90 ? 44 LYS A N 1 ATOM 290 C CA . LYS A 1 46 ? -14.796 -66.213 -5.775 1.00 64.98 ? 44 LYS A CA 1 ATOM 291 C C . LYS A 1 46 ? -13.575 -67.093 -5.690 1.00 66.97 ? 44 LYS A C 1 ATOM 292 O O . LYS A 1 46 ? -12.551 -66.728 -5.118 1.00 65.75 ? 44 LYS A O 1 ATOM 293 C CB . LYS A 1 46 ? -15.852 -66.708 -4.783 1.00 68.16 ? 44 LYS A CB 1 ATOM 294 C CG . LYS A 1 46 ? -16.731 -65.594 -4.233 1.00 68.98 ? 44 LYS A CG 1 ATOM 295 C CD . LYS A 1 46 ? -16.027 -64.842 -3.103 1.00 67.82 ? 44 LYS A CD 1 ATOM 296 C CE . LYS A 1 46 ? -16.794 -63.597 -2.694 1.00 65.83 ? 44 LYS A CE 1 ATOM 297 N NZ . LYS A 1 46 ? -16.043 -62.777 -1.695 1.00 62.16 ? 44 LYS A NZ 1 ATOM 298 N N . ASP A 1 47 ? -13.735 -68.275 -6.254 1.00 71.41 ? 45 ASP A N 1 ATOM 299 C CA . ASP A 1 47 ? -12.631 -69.201 -6.482 1.00 75.17 ? 45 ASP A CA 1 ATOM 300 C C . ASP A 1 47 ? -12.729 -69.727 -7.901 1.00 77.04 ? 45 ASP A C 1 ATOM 301 O O . ASP A 1 47 ? -13.316 -69.093 -8.776 1.00 75.62 ? 45 ASP A O 1 ATOM 302 C CB . ASP A 1 47 ? -12.691 -70.405 -5.531 1.00 79.26 ? 45 ASP A CB 1 ATOM 303 C CG . ASP A 1 47 ? -13.417 -70.106 -4.240 1.00 82.83 ? 45 ASP A CG 1 ATOM 304 O OD1 . ASP A 1 47 ? -13.102 -69.082 -3.594 1.00 85.10 ? 45 ASP A OD1 1 ATOM 305 O OD2 . ASP A 1 47 ? -14.295 -70.917 -3.860 1.00 85.63 ? 45 ASP A OD2 1 ATOM 306 N N . LYS A 1 48 ? -12.139 -70.893 -8.112 1.00 81.54 ? 46 LYS A N 1 ATOM 307 C CA . LYS A 1 48 ? -12.497 -71.722 -9.243 1.00 84.25 ? 46 LYS A CA 1 ATOM 308 C C . LYS A 1 48 ? -13.431 -72.756 -8.650 1.00 89.16 ? 46 LYS A C 1 ATOM 309 O O . LYS A 1 48 ? -13.877 -72.622 -7.507 1.00 89.96 ? 46 LYS A O 1 ATOM 310 C CB . LYS A 1 48 ? -11.280 -72.399 -9.871 1.00 85.87 ? 46 LYS A CB 1 ATOM 311 C CG . LYS A 1 48 ? -11.365 -72.537 -11.384 1.00 87.03 ? 46 LYS A CG 1 ATOM 312 C CD . LYS A 1 48 ? -11.149 -71.193 -12.078 1.00 85.30 ? 46 LYS A CD 1 ATOM 313 C CE . LYS A 1 48 ? -11.113 -71.336 -13.597 1.00 85.41 ? 46 LYS A CE 1 ATOM 314 N NZ . LYS A 1 48 ? -10.067 -72.302 -14.053 1.00 87.77 ? 46 LYS A NZ 1 ATOM 315 N N . ASP A 1 49 ? -13.715 -73.794 -9.421 1.00 93.05 ? 47 ASP A N 1 ATOM 316 C CA . ASP A 1 49 ? -14.633 -74.843 -8.976 1.00 97.94 ? 47 ASP A CA 1 ATOM 317 C C . ASP A 1 49 ? -16.020 -74.268 -8.723 1.00 97.10 ? 47 ASP A C 1 ATOM 318 O O . ASP A 1 49 ? -16.942 -74.977 -8.322 1.00 101.72 ? 47 ASP A O 1 ATOM 319 C CB . ASP A 1 49 ? -14.114 -75.472 -7.682 1.00 101.14 ? 47 ASP A CB 1 ATOM 320 C CG . ASP A 1 49 ? -14.829 -76.768 -7.332 1.00 108.28 ? 47 ASP A CG 1 ATOM 321 O OD1 . ASP A 1 49 ? -15.169 -77.534 -8.259 1.00 111.32 ? 47 ASP A OD1 1 ATOM 322 O OD2 . ASP A 1 49 ? -15.043 -77.025 -6.127 1.00 112.32 ? 47 ASP A OD2 1 ATOM 323 N N . ASP A 1 50 ? -16.143 -72.970 -8.964 1.00 91.75 ? 48 ASP A N 1 ATOM 324 C CA . ASP A 1 50 ? -17.337 -72.206 -8.608 1.00 89.87 ? 48 ASP A CA 1 ATOM 325 C C . ASP A 1 50 ? -17.725 -71.207 -9.683 1.00 84.81 ? 48 ASP A C 1 ATOM 326 O O . ASP A 1 50 ? -16.879 -70.659 -10.391 1.00 81.85 ? 48 ASP A O 1 ATOM 327 C CB . ASP A 1 50 ? -17.107 -71.466 -7.289 1.00 88.94 ? 48 ASP A CB 1 ATOM 328 C CG . ASP A 1 50 ? -17.955 -70.213 -7.168 1.00 87.52 ? 48 ASP A CG 1 ATOM 329 O OD1 . ASP A 1 50 ? -19.169 -70.327 -6.884 1.00 89.68 ? 48 ASP A OD1 1 ATOM 330 O OD2 . ASP A 1 50 ? -17.396 -69.110 -7.346 1.00 83.68 ? 48 ASP A OD2 1 ATOM 331 N N . ALA A 1 51 ? -19.026 -70.973 -9.762 1.00 83.75 ? 49 ALA A N 1 ATOM 332 C CA . ALA A 1 51 ? -19.624 -70.152 -10.822 1.00 80.18 ? 49 ALA A CA 1 ATOM 333 C C . ALA A 1 51 ? -19.079 -68.740 -10.869 1.00 74.57 ? 49 ALA A C 1 ATOM 334 O O . ALA A 1 51 ? -18.604 -68.188 -9.876 1.00 73.56 ? 49 ALA A O 1 ATOM 335 C CB . ALA A 1 51 ? -21.152 -70.119 -10.690 1.00 82.92 ? 49 ALA A CB 1 ATOM 336 N N . SER A 1 52 ? -19.156 -68.172 -12.062 1.00 70.87 ? 50 SER A N 1 ATOM 337 C CA . SER A 1 52 ? -18.809 -66.783 -12.280 1.00 66.35 ? 50 SER A CA 1 ATOM 338 C C . SER A 1 52 ? -20.045 -65.964 -12.571 1.00 65.42 ? 50 SER A C 1 ATOM 339 O O . SER A 1 52 ? -21.073 -66.480 -12.997 1.00 67.37 ? 50 SER A O 1 ATOM 340 C CB . SER A 1 52 ? -17.826 -66.656 -13.437 1.00 64.57 ? 50 SER A CB 1 ATOM 341 O OG . SER A 1 52 ? -16.839 -67.669 -13.375 1.00 68.38 ? 50 SER A OG 1 ATOM 342 N N . GLU A 1 53 ? -19.924 -64.674 -12.315 1.00 62.91 ? 51 GLU A N 1 ATOM 343 C CA . GLU A 1 53 ? -20.986 -63.717 -12.609 1.00 63.87 ? 51 GLU A CA 1 ATOM 344 C C . GLU A 1 53 ? -20.425 -62.491 -13.312 1.00 59.17 ? 51 GLU A C 1 ATOM 345 O O . GLU A 1 53 ? -19.311 -62.061 -13.033 1.00 57.57 ? 51 GLU A O 1 ATOM 346 C CB . GLU A 1 53 ? -21.714 -63.310 -11.319 1.00 66.87 ? 51 GLU A CB 1 ATOM 347 C CG . GLU A 1 53 ? -20.871 -62.489 -10.343 1.00 69.49 ? 51 GLU A CG 1 ATOM 348 C CD . GLU A 1 53 ? -21.559 -62.270 -8.996 1.00 78.00 ? 51 GLU A CD 1 ATOM 349 O OE1 . GLU A 1 53 ? -21.977 -63.264 -8.371 1.00 81.76 ? 51 GLU A OE1 1 ATOM 350 O OE2 . GLU A 1 53 ? -21.669 -61.104 -8.554 1.00 83.75 ? 51 GLU A OE2 1 ATOM 351 N N . TYR A 1 54 ? -21.206 -61.947 -14.235 1.00 57.91 ? 52 TYR A N 1 ATOM 352 C CA . TYR A 1 54 ? -20.813 -60.735 -14.972 1.00 54.24 ? 52 TYR A CA 1 ATOM 353 C C . TYR A 1 54 ? -20.844 -59.501 -14.093 1.00 52.92 ? 52 TYR A C 1 ATOM 354 O O . TYR A 1 54 ? -21.860 -59.159 -13.495 1.00 55.99 ? 52 TYR A O 1 ATOM 355 C CB . TYR A 1 54 ? -21.702 -60.494 -16.199 1.00 54.88 ? 52 TYR A CB 1 ATOM 356 C CG . TYR A 1 54 ? -21.407 -61.421 -17.343 1.00 53.11 ? 52 TYR A CG 1 ATOM 357 C CD1 . TYR A 1 54 ? -21.978 -62.683 -17.397 1.00 54.78 ? 52 TYR A CD1 1 ATOM 358 C CD2 . TYR A 1 54 ? -20.553 -61.040 -18.375 1.00 49.27 ? 52 TYR A CD2 1 ATOM 359 C CE1 . TYR A 1 54 ? -21.709 -63.542 -18.440 1.00 55.15 ? 52 TYR A CE1 1 ATOM 360 C CE2 . TYR A 1 54 ? -20.279 -61.895 -19.430 1.00 47.96 ? 52 TYR A CE2 1 ATOM 361 C CZ . TYR A 1 54 ? -20.860 -63.145 -19.453 1.00 53.18 ? 52 TYR A CZ 1 ATOM 362 O OH . TYR A 1 54 ? -20.601 -64.015 -20.484 1.00 59.14 ? 52 TYR A OH 1 ATOM 363 N N . VAL A 1 55 ? -19.700 -58.844 -14.021 1.00 49.64 ? 53 VAL A N 1 ATOM 364 C CA . VAL A 1 55 ? -19.616 -57.528 -13.400 1.00 49.11 ? 53 VAL A CA 1 ATOM 365 C C . VAL A 1 55 ? -20.243 -56.557 -14.383 1.00 49.81 ? 53 VAL A C 1 ATOM 366 O O . VAL A 1 55 ? -21.075 -55.714 -14.045 1.00 51.26 ? 53 VAL A O 1 ATOM 367 C CB . VAL A 1 55 ? -18.151 -57.087 -13.132 1.00 46.18 ? 53 VAL A CB 1 ATOM 368 C CG1 . VAL A 1 55 ? -18.127 -55.717 -12.488 1.00 45.69 ? 53 VAL A CG1 1 ATOM 369 C CG2 . VAL A 1 55 ? -17.434 -58.097 -12.262 1.00 43.45 ? 53 VAL A CG2 1 ATOM 370 N N . LEU A 1 56 ? -19.829 -56.723 -15.627 1.00 48.58 ? 54 LEU A N 1 ATOM 371 C CA . LEU A 1 56 ? -20.171 -55.790 -16.686 1.00 49.52 ? 54 LEU A CA 1 ATOM 372 C C . LEU A 1 56 ? -19.820 -56.358 -18.043 1.00 48.97 ? 54 LEU A C 1 ATOM 373 O O . LEU A 1 56 ? -18.765 -56.965 -18.222 1.00 47.63 ? 54 LEU A O 1 ATOM 374 C CB . LEU A 1 56 ? -19.397 -54.494 -16.452 1.00 48.96 ? 54 LEU A CB 1 ATOM 375 C CG . LEU A 1 56 ? -19.515 -53.324 -17.415 1.00 49.27 ? 54 LEU A CG 1 ATOM 376 C CD1 . LEU A 1 56 ? -19.011 -52.075 -16.703 1.00 46.46 ? 54 LEU A CD1 1 ATOM 377 C CD2 . LEU A 1 56 ? -18.726 -53.587 -18.695 1.00 47.15 ? 54 LEU A CD2 1 ATOM 378 N N . PHE A 1 57 ? -20.718 -56.169 -18.997 1.00 50.75 ? 55 PHE A N 1 ATOM 379 C CA . PHE A 1 57 ? -20.410 -56.515 -20.385 1.00 50.40 ? 55 PHE A CA 1 ATOM 380 C C . PHE A 1 57 ? -20.799 -55.411 -21.345 1.00 52.03 ? 55 PHE A C 1 ATOM 381 O O . PHE A 1 57 ? -21.745 -54.665 -21.129 1.00 54.07 ? 55 PHE A O 1 ATOM 382 C CB . PHE A 1 57 ? -21.016 -57.860 -20.801 1.00 51.25 ? 55 PHE A CB 1 ATOM 383 C CG . PHE A 1 57 ? -22.509 -57.885 -20.795 1.00 54.13 ? 55 PHE A CG 1 ATOM 384 C CD1 . PHE A 1 57 ? -23.205 -58.053 -19.611 1.00 55.78 ? 55 PHE A CD1 1 ATOM 385 C CD2 . PHE A 1 57 ? -23.217 -57.760 -21.972 1.00 55.64 ? 55 PHE A CD2 1 ATOM 386 C CE1 . PHE A 1 57 ? -24.579 -58.073 -19.601 1.00 60.46 ? 55 PHE A CE1 1 ATOM 387 C CE2 . PHE A 1 57 ? -24.593 -57.787 -21.969 1.00 59.41 ? 55 PHE A CE2 1 ATOM 388 C CZ . PHE A 1 57 ? -25.275 -57.944 -20.782 1.00 62.29 ? 55 PHE A CZ 1 ATOM 389 N N . TYR A 1 58 ? -20.004 -55.309 -22.395 1.00 52.19 ? 56 TYR A N 1 ATOM 390 C CA . TYR A 1 58 ? -20.106 -54.223 -23.356 1.00 54.47 ? 56 TYR A CA 1 ATOM 391 C C . TYR A 1 58 ? -20.178 -54.752 -24.768 1.00 54.94 ? 56 TYR A C 1 ATOM 392 O O . TYR A 1 58 ? -19.449 -55.668 -25.146 1.00 53.89 ? 56 TYR A O 1 ATOM 393 C CB . TYR A 1 58 ? -18.890 -53.302 -23.218 1.00 53.33 ? 56 TYR A CB 1 ATOM 394 C CG . TYR A 1 58 ? -18.672 -52.398 -24.402 1.00 57.12 ? 56 TYR A CG 1 ATOM 395 C CD1 . TYR A 1 58 ? -19.256 -51.141 -24.458 1.00 63.48 ? 56 TYR A CD1 1 ATOM 396 C CD2 . TYR A 1 58 ? -17.885 -52.802 -25.472 1.00 59.81 ? 56 TYR A CD2 1 ATOM 397 C CE1 . TYR A 1 58 ? -19.063 -50.311 -25.547 1.00 66.27 ? 56 TYR A CE1 1 ATOM 398 C CE2 . TYR A 1 58 ? -17.690 -51.983 -26.566 1.00 62.22 ? 56 TYR A CE2 1 ATOM 399 C CZ . TYR A 1 58 ? -18.275 -50.739 -26.596 1.00 65.64 ? 56 TYR A CZ 1 ATOM 400 O OH . TYR A 1 58 ? -18.073 -49.927 -27.687 1.00 71.09 ? 56 TYR A OH 1 ATOM 401 N N . TYR A 1 59 ? -21.068 -54.156 -25.541 1.00 57.77 ? 57 TYR A N 1 ATOM 402 C CA . TYR A 1 59 ? -21.146 -54.423 -26.977 1.00 58.97 ? 57 TYR A CA 1 ATOM 403 C C . TYR A 1 59 ? -21.853 -53.295 -27.708 1.00 63.00 ? 57 TYR A C 1 ATOM 404 O O . TYR A 1 59 ? -22.799 -52.697 -27.202 1.00 64.79 ? 57 TYR A O 1 ATOM 405 C CB . TYR A 1 59 ? -21.863 -55.750 -27.244 1.00 59.36 ? 57 TYR A CB 1 ATOM 406 C CG . TYR A 1 59 ? -23.339 -55.692 -26.950 1.00 61.40 ? 57 TYR A CG 1 ATOM 407 C CD1 . TYR A 1 59 ? -23.799 -55.661 -25.645 1.00 61.11 ? 57 TYR A CD1 1 ATOM 408 C CD2 . TYR A 1 59 ? -24.272 -55.656 -27.975 1.00 62.08 ? 57 TYR A CD2 1 ATOM 409 C CE1 . TYR A 1 59 ? -25.144 -55.600 -25.368 1.00 64.95 ? 57 TYR A CE1 1 ATOM 410 C CE2 . TYR A 1 59 ? -25.616 -55.590 -27.708 1.00 66.02 ? 57 TYR A CE2 1 ATOM 411 C CZ . TYR A 1 59 ? -26.049 -55.560 -26.403 1.00 67.59 ? 57 TYR A CZ 1 ATOM 412 O OH . TYR A 1 59 ? -27.397 -55.495 -26.128 1.00 75.27 ? 57 TYR A OH 1 ATOM 413 N N . SER A 1 60 ? -21.363 -53.011 -28.903 1.00 65.27 ? 58 SER A N 1 ATOM 414 C CA . SER A 1 60 ? -21.984 -52.043 -29.791 1.00 70.33 ? 58 SER A CA 1 ATOM 415 C C . SER A 1 60 ? -22.273 -50.738 -29.072 1.00 74.31 ? 58 SER A C 1 ATOM 416 O O . SER A 1 60 ? -23.405 -50.260 -29.028 1.00 78.01 ? 58 SER A O 1 ATOM 417 C CB . SER A 1 60 ? -23.275 -52.603 -30.372 1.00 72.92 ? 58 SER A CB 1 ATOM 418 O OG . SER A 1 60 ? -23.808 -51.701 -31.319 1.00 76.79 ? 58 SER A OG 1 ATOM 419 N N . ASN A 1 61 ? -21.220 -50.182 -28.501 1.00 74.61 ? 59 ASN A N 1 ATOM 420 C CA . ASN A 1 61 ? -21.277 -48.897 -27.807 1.00 78.21 ? 59 ASN A CA 1 ATOM 421 C C . ASN A 1 61 ? -22.432 -48.784 -26.830 1.00 80.12 ? 59 ASN A C 1 ATOM 422 O O . ASN A 1 61 ? -23.159 -47.792 -26.805 1.00 84.14 ? 59 ASN A O 1 ATOM 423 C CB . ASN A 1 61 ? -21.308 -47.726 -28.787 1.00 82.04 ? 59 ASN A CB 1 ATOM 424 C CG . ASN A 1 61 ? -20.523 -46.541 -28.267 1.00 86.35 ? 59 ASN A CG 1 ATOM 425 O OD1 . ASN A 1 61 ? -19.442 -46.719 -27.703 1.00 84.38 ? 59 ASN A OD1 1 ATOM 426 N ND2 . ASN A 1 61 ? -21.051 -45.336 -28.438 1.00 97.11 ? 59 ASN A ND2 1 ATOM 427 N N . LEU A 1 62 ? -22.588 -49.830 -26.036 1.00 78.16 ? 60 LEU A N 1 ATOM 428 C CA . LEU A 1 62 ? -23.474 -49.796 -24.875 1.00 80.09 ? 60 LEU A CA 1 ATOM 429 C C . LEU A 1 62 ? -23.084 -50.853 -23.854 1.00 76.91 ? 60 LEU A C 1 ATOM 430 O O . LEU A 1 62 ? -23.071 -52.047 -24.142 1.00 74.76 ? 60 LEU A O 1 ATOM 431 C CB . LEU A 1 62 ? -24.940 -49.938 -25.297 1.00 84.25 ? 60 LEU A CB 1 ATOM 432 C CG . LEU A 1 62 ? -25.313 -51.062 -26.263 1.00 85.02 ? 60 LEU A CG 1 ATOM 433 C CD1 . LEU A 1 62 ? -25.506 -52.369 -25.513 1.00 83.84 ? 60 LEU A CD1 1 ATOM 434 C CD2 . LEU A 1 62 ? -26.575 -50.700 -27.047 1.00 89.15 ? 60 LEU A CD2 1 ATOM 435 N N . SER A 1 63 ? -22.746 -50.385 -22.661 1.00 76.71 ? 61 SER A N 1 ATOM 436 C CA . SER A 1 63 ? -22.291 -51.261 -21.592 1.00 74.68 ? 61 SER A CA 1 ATOM 437 C C . SER A 1 63 ? -23.393 -51.520 -20.587 1.00 76.31 ? 61 SER A C 1 ATOM 438 O O . SER A 1 63 ? -24.241 -50.674 -20.315 1.00 78.65 ? 61 SER A O 1 ATOM 439 C CB . SER A 1 63 ? -21.068 -50.668 -20.885 1.00 73.21 ? 61 SER A CB 1 ATOM 440 O OG . SER A 1 63 ? -21.374 -49.412 -20.304 1.00 78.09 ? 61 SER A OG 1 ATOM 441 N N . VAL A 1 64 ? -23.351 -52.721 -20.044 1.00 75.27 ? 62 VAL A N 1 ATOM 442 C CA . VAL A 1 64 ? -24.312 -53.168 -19.059 1.00 77.73 ? 62 VAL A CA 1 ATOM 443 C C . VAL A 1 64 ? -23.601 -53.493 -17.756 1.00 76.22 ? 62 VAL A C 1 ATOM 444 O O . VAL A 1 64 ? -22.987 -54.554 -17.630 1.00 74.13 ? 62 VAL A O 1 ATOM 445 C CB . VAL A 1 64 ? -25.043 -54.427 -19.543 1.00 78.53 ? 62 VAL A CB 1 ATOM 446 C CG1 . VAL A 1 64 ? -26.113 -54.817 -18.552 1.00 81.57 ? 62 VAL A CG1 1 ATOM 447 C CG2 . VAL A 1 64 ? -25.637 -54.191 -20.921 1.00 80.27 ? 62 VAL A CG2 1 ATOM 448 N N . PRO A 1 65 ? -23.639 -52.565 -16.791 1.00 77.87 ? 63 PRO A N 1 ATOM 449 C CA . PRO A 1 65 ? -23.176 -52.943 -15.465 1.00 76.53 ? 63 PRO A CA 1 ATOM 450 C C . PRO A 1 65 ? -24.248 -53.785 -14.830 1.00 78.71 ? 63 PRO A C 1 ATOM 451 O O . PRO A 1 65 ? -25.435 -53.496 -14.983 1.00 82.61 ? 63 PRO A O 1 ATOM 452 C CB . PRO A 1 65 ? -23.020 -51.602 -14.730 1.00 77.71 ? 63 PRO A CB 1 ATOM 453 C CG . PRO A 1 65 ? -23.311 -50.528 -15.745 1.00 80.24 ? 63 PRO A CG 1 ATOM 454 C CD . PRO A 1 65 ? -24.091 -51.168 -16.844 1.00 80.99 ? 63 PRO A CD 1 ATOM 455 N N . THR A 1 66 ? -23.834 -54.835 -14.140 1.00 76.93 ? 64 THR A N 1 ATOM 456 C CA . THR A 1 66 ? -24.794 -55.781 -13.574 1.00 79.54 ? 64 THR A CA 1 ATOM 457 C C . THR A 1 66 ? -24.409 -56.352 -12.226 1.00 78.63 ? 64 THR A C 1 ATOM 458 O O . THR A 1 66 ? -23.306 -56.150 -11.721 1.00 75.71 ? 64 THR A O 1 ATOM 459 C CB . THR A 1 66 ? -25.058 -56.946 -14.547 1.00 79.78 ? 64 THR A CB 1 ATOM 460 O OG1 . THR A 1 66 ? -23.819 -57.421 -15.086 1.00 74.78 ? 64 THR A OG1 1 ATOM 461 C CG2 . THR A 1 66 ? -25.941 -56.481 -15.687 1.00 83.46 ? 64 THR A CG2 1 ATOM 462 N N . GLY A 1 67 ? -25.370 -57.066 -11.661 1.00 81.87 ? 65 GLY A N 1 ATOM 463 C CA . GLY A 1 67 ? -25.237 -57.686 -10.346 1.00 82.23 ? 65 GLY A CA 1 ATOM 464 C C . GLY A 1 67 ? -25.135 -56.668 -9.234 1.00 82.40 ? 65 GLY A C 1 ATOM 465 O O . GLY A 1 67 ? -25.799 -55.633 -9.241 1.00 84.59 ? 65 GLY A O 1 ATOM 466 N N . ARG A 1 68 ? -24.286 -56.988 -8.273 1.00 80.31 ? 66 ARG A N 1 ATOM 467 C CA . ARG A 1 68 ? -24.023 -56.099 -7.134 1.00 81.11 ? 66 ARG A CA 1 ATOM 468 C C . ARG A 1 68 ? -23.162 -54.938 -7.591 1.00 78.91 ? 66 ARG A C 1 ATOM 469 O O . ARG A 1 68 ? -23.119 -53.874 -6.965 1.00 79.32 ? 66 ARG A O 1 ATOM 470 C CB . ARG A 1 68 ? -23.318 -56.852 -6.005 1.00 79.99 ? 66 ARG A CB 1 ATOM 471 C CG . ARG A 1 68 ? -21.984 -57.446 -6.415 1.00 77.32 ? 66 ARG A CG 1 ATOM 472 C CD . ARG A 1 68 ? -21.975 -58.948 -6.185 1.00 77.92 ? 66 ARG A CD 1 ATOM 473 N NE . ARG A 1 68 ? -20.631 -59.453 -5.941 1.00 75.03 ? 66 ARG A NE 1 ATOM 474 C CZ . ARG A 1 68 ? -19.937 -59.200 -4.838 1.00 75.26 ? 66 ARG A CZ 1 ATOM 475 N NH1 . ARG A 1 68 ? -20.451 -58.438 -3.881 1.00 78.06 ? 66 ARG A NH1 1 ATOM 476 N NH2 . ARG A 1 68 ? -18.724 -59.702 -4.694 1.00 74.09 ? 66 ARG A NH2 1 ATOM 477 N N . PHE A 1 69 ? -22.471 -55.188 -8.695 1.00 76.83 ? 67 PHE A N 1 ATOM 478 C CA . PHE A 1 69 ? -21.552 -54.212 -9.296 1.00 75.09 ? 67 PHE A CA 1 ATOM 479 C C . PHE A 1 69 ? -22.305 -53.212 -10.153 1.00 77.76 ? 67 PHE A C 1 ATOM 480 O O . PHE A 1 69 ? -21.708 -52.366 -10.809 1.00 77.54 ? 67 PHE A O 1 ATOM 481 C CB . PHE A 1 69 ? -20.493 -54.898 -10.167 1.00 71.97 ? 67 PHE A CB 1 ATOM 482 C CG . PHE A 1 69 ? -19.777 -56.021 -9.482 1.00 70.87 ? 67 PHE A CG 1 ATOM 483 C CD1 . PHE A 1 69 ? -18.709 -55.767 -8.641 1.00 68.98 ? 67 PHE A CD1 1 ATOM 484 C CD2 . PHE A 1 69 ? -20.171 -57.334 -9.683 1.00 70.69 ? 67 PHE A CD2 1 ATOM 485 C CE1 . PHE A 1 69 ? -18.051 -56.798 -8.011 1.00 67.34 ? 67 PHE A CE1 1 ATOM 486 C CE2 . PHE A 1 69 ? -19.517 -58.369 -9.055 1.00 69.68 ? 67 PHE A CE2 1 ATOM 487 C CZ . PHE A 1 69 ? -18.455 -58.100 -8.217 1.00 69.09 ? 67 PHE A CZ 1 ATOM 488 N N . GLN A 1 70 ? -23.624 -53.317 -10.132 1.00 81.40 ? 68 GLN A N 1 ATOM 489 C CA . GLN A 1 70 ? -24.478 -52.501 -11.007 1.00 84.25 ? 68 GLN A CA 1 ATOM 490 C C . GLN A 1 70 ? -24.181 -51.019 -10.832 1.00 85.56 ? 68 GLN A C 1 ATOM 491 O O . GLN A 1 70 ? -23.891 -50.287 -11.781 1.00 85.88 ? 68 GLN A O 1 ATOM 492 C CB . GLN A 1 70 ? -25.958 -52.737 -10.704 1.00 88.57 ? 68 GLN A CB 1 ATOM 493 C CG . GLN A 1 70 ? -26.845 -52.657 -11.930 1.00 90.76 ? 68 GLN A CG 1 ATOM 494 C CD . GLN A 1 70 ? -28.265 -53.095 -11.634 1.00 96.29 ? 68 GLN A CD 1 ATOM 495 O OE1 . GLN A 1 70 ? -28.672 -53.155 -10.475 1.00 95.71 ? 68 GLN A OE1 1 ATOM 496 N NE2 . GLN A 1 70 ? -29.023 -53.413 -12.679 1.00 99.26 ? 68 GLN A NE2 1 ATOM 497 N N . ASN A 1 71 ? -24.298 -50.611 -9.581 1.00 87.08 ? 69 ASN A N 1 ATOM 498 C CA . ASN A 1 71 ? -24.140 -49.210 -9.153 1.00 89.11 ? 69 ASN A CA 1 ATOM 499 C C . ASN A 1 71 ? -22.693 -48.738 -9.059 1.00 84.19 ? 69 ASN A C 1 ATOM 500 O O . ASN A 1 71 ? -22.422 -47.537 -9.010 1.00 85.35 ? 69 ASN A O 1 ATOM 501 C CB . ASN A 1 71 ? -24.793 -49.031 -7.782 1.00 93.25 ? 69 ASN A CB 1 ATOM 502 C CG . ASN A 1 71 ? -24.885 -47.581 -7.354 1.00 101.37 ? 69 ASN A CG 1 ATOM 503 O OD1 . ASN A 1 71 ? -24.983 -47.287 -6.164 1.00 107.85 ? 69 ASN A OD1 1 ATOM 504 N ND2 . ASN A 1 71 ? -24.865 -46.662 -8.306 1.00 108.27 ? 69 ASN A ND2 1 ATOM 505 N N . ARG A 1 72 ? -21.769 -49.692 -9.037 1.00 78.69 ? 70 ARG A N 1 ATOM 506 C CA . ARG A 1 72 ? -20.376 -49.403 -8.676 1.00 75.03 ? 70 ARG A CA 1 ATOM 507 C C . ARG A 1 72 ? -19.353 -49.652 -9.783 1.00 71.27 ? 70 ARG A C 1 ATOM 508 O O . ARG A 1 72 ? -18.195 -49.240 -9.675 1.00 69.49 ? 70 ARG A O 1 ATOM 509 C CB . ARG A 1 72 ? -19.985 -50.220 -7.439 1.00 73.69 ? 70 ARG A CB 1 ATOM 510 C CG . ARG A 1 72 ? -20.846 -49.943 -6.211 1.00 77.11 ? 70 ARG A CG 1 ATOM 511 C CD . ARG A 1 72 ? -20.485 -50.867 -5.057 1.00 75.57 ? 70 ARG A CD 1 ATOM 512 N NE . ARG A 1 72 ? -20.556 -52.270 -5.452 1.00 76.30 ? 70 ARG A NE 1 ATOM 513 C CZ . ARG A 1 72 ? -19.902 -53.257 -4.849 1.00 76.00 ? 70 ARG A CZ 1 ATOM 514 N NH1 . ARG A 1 72 ? -19.121 -53.005 -3.810 1.00 76.55 ? 70 ARG A NH1 1 ATOM 515 N NH2 . ARG A 1 72 ? -20.028 -54.501 -5.291 1.00 75.70 ? 70 ARG A NH2 1 ATOM 516 N N . SER A 1 73 ? -19.780 -50.332 -10.837 1.00 69.73 ? 71 SER A N 1 ATOM 517 C CA . SER A 1 73 ? -18.880 -50.677 -11.937 1.00 66.38 ? 71 SER A CA 1 ATOM 518 C C . SER A 1 73 ? -19.069 -49.742 -13.119 1.00 68.12 ? 71 SER A C 1 ATOM 519 O O . SER A 1 73 ? -20.189 -49.372 -13.481 1.00 70.25 ? 71 SER A O 1 ATOM 520 C CB . SER A 1 73 ? -19.069 -52.132 -12.368 1.00 64.41 ? 71 SER A CB 1 ATOM 521 O OG . SER A 1 73 ? -20.418 -52.400 -12.688 1.00 65.40 ? 71 SER A OG 1 ATOM 522 N N . HIS A 1 74 ? -17.941 -49.359 -13.700 1.00 66.80 ? 72 HIS A N 1 ATOM 523 C CA . HIS A 1 74 ? -17.919 -48.391 -14.792 1.00 68.12 ? 72 HIS A CA 1 ATOM 524 C C . HIS A 1 74 ? -16.820 -48.675 -15.798 1.00 65.73 ? 72 HIS A C 1 ATOM 525 O O . HIS A 1 74 ? -15.652 -48.840 -15.447 1.00 64.58 ? 72 HIS A O 1 ATOM 526 C CB . HIS A 1 74 ? -17.735 -46.980 -14.234 1.00 70.82 ? 72 HIS A CB 1 ATOM 527 C CG . HIS A 1 74 ? -18.670 -46.650 -13.116 1.00 74.30 ? 72 HIS A CG 1 ATOM 528 N ND1 . HIS A 1 74 ? -19.879 -46.019 -13.318 1.00 80.25 ? 72 HIS A ND1 1 ATOM 529 C CD2 . HIS A 1 74 ? -18.578 -46.869 -11.783 1.00 75.54 ? 72 HIS A CD2 1 ATOM 530 C CE1 . HIS A 1 74 ? -20.489 -45.861 -12.157 1.00 84.32 ? 72 HIS A CE1 1 ATOM 531 N NE2 . HIS A 1 74 ? -19.721 -46.370 -11.209 1.00 81.85 ? 72 HIS A NE2 1 ATOM 532 N N . LEU A 1 75 ? -17.221 -48.715 -17.058 1.00 65.68 ? 73 LEU A N 1 ATOM 533 C CA . LEU A 1 75 ? -16.290 -48.910 -18.167 1.00 63.32 ? 73 LEU A CA 1 ATOM 534 C C . LEU A 1 75 ? -15.599 -47.581 -18.427 1.00 65.16 ? 73 LEU A C 1 ATOM 535 O O . LEU A 1 75 ? -16.186 -46.656 -18.984 1.00 68.56 ? 73 LEU A O 1 ATOM 536 C CB . LEU A 1 75 ? -17.038 -49.408 -19.409 1.00 63.05 ? 73 LEU A CB 1 ATOM 537 C CG . LEU A 1 75 ? -16.206 -50.116 -20.470 1.00 60.50 ? 73 LEU A CG 1 ATOM 538 C CD1 . LEU A 1 75 ? -15.253 -51.105 -19.824 1.00 60.36 ? 73 LEU A CD1 1 ATOM 539 C CD2 . LEU A 1 75 ? -17.120 -50.814 -21.456 1.00 58.55 ? 73 LEU A CD2 1 ATOM 540 N N . VAL A 1 76 ? -14.347 -47.494 -18.002 1.00 63.95 ? 74 VAL A N 1 ATOM 541 C CA . VAL A 1 76 ? -13.629 -46.219 -17.976 1.00 66.13 ? 74 VAL A CA 1 ATOM 542 C C . VAL A 1 76 ? -12.826 -46.004 -19.242 1.00 66.76 ? 74 VAL A C 1 ATOM 543 O O . VAL A 1 76 ? -12.708 -44.889 -19.746 1.00 69.67 ? 74 VAL A O 1 ATOM 544 C CB . VAL A 1 76 ? -12.679 -46.128 -16.775 1.00 65.50 ? 74 VAL A CB 1 ATOM 545 C CG1 . VAL A 1 76 ? -11.655 -45.031 -16.993 1.00 69.37 ? 74 VAL A CG1 1 ATOM 546 C CG2 . VAL A 1 76 ? -13.465 -45.876 -15.519 1.00 66.31 ? 74 VAL A CG2 1 ATOM 547 N N . GLY A 1 77 ? -12.276 -47.092 -19.750 1.00 64.63 ? 75 GLY A N 1 ATOM 548 C CA . GLY A 1 77 ? -11.463 -47.036 -20.955 1.00 65.27 ? 75 GLY A CA 1 ATOM 549 C C . GLY A 1 77 ? -12.298 -46.688 -22.165 1.00 66.96 ? 75 GLY A C 1 ATOM 550 O O . GLY A 1 77 ? -13.456 -47.095 -22.280 1.00 66.83 ? 75 GLY A O 1 ATOM 551 N N . ASP A 1 78 ? -11.695 -45.921 -23.064 1.00 68.95 ? 76 ASP A N 1 ATOM 552 C CA . ASP A 1 78 ? -12.313 -45.628 -24.362 1.00 71.21 ? 76 ASP A CA 1 ATOM 553 C C . ASP A 1 78 ? -12.305 -46.896 -25.200 1.00 68.51 ? 76 ASP A C 1 ATOM 554 O O . ASP A 1 78 ? -11.248 -47.385 -25.603 1.00 66.96 ? 76 ASP A O 1 ATOM 555 C CB . ASP A 1 78 ? -11.574 -44.514 -25.113 1.00 75.19 ? 76 ASP A CB 1 ATOM 556 C CG . ASP A 1 78 ? -11.415 -43.248 -24.284 1.00 81.50 ? 76 ASP A CG 1 ATOM 557 O OD1 . ASP A 1 78 ? -11.732 -43.295 -23.072 1.00 84.81 ? 76 ASP A OD1 1 ATOM 558 O OD2 . ASP A 1 78 ? -10.968 -42.217 -24.842 1.00 84.49 ? 76 ASP A OD2 1 ATOM 559 N N . THR A 1 79 ? -13.498 -47.423 -25.445 1.00 67.89 ? 77 THR A N 1 ATOM 560 C CA . THR A 1 79 ? -13.659 -48.703 -26.141 1.00 65.83 ? 77 THR A CA 1 ATOM 561 C C . THR A 1 79 ? -13.405 -48.514 -27.619 1.00 67.00 ? 77 THR A C 1 ATOM 562 O O . THR A 1 79 ? -13.182 -49.472 -28.359 1.00 65.93 ? 77 THR A O 1 ATOM 563 C CB . THR A 1 79 ? -15.072 -49.298 -25.956 1.00 65.78 ? 77 THR A CB 1 ATOM 564 O OG1 . THR A 1 79 ? -16.061 -48.328 -26.334 1.00 68.99 ? 77 THR A OG1 1 ATOM 565 C CG2 . THR A 1 79 ? -15.291 -49.711 -24.513 1.00 63.41 ? 77 THR A CG2 1 ATOM 566 N N . PHE A 1 80 ? -13.447 -47.257 -28.034 1.00 69.60 ? 78 PHE A N 1 ATOM 567 C CA . PHE A 1 80 ? -13.179 -46.886 -29.427 1.00 72.01 ? 78 PHE A CA 1 ATOM 568 C C . PHE A 1 80 ? -11.683 -46.783 -29.636 1.00 71.00 ? 78 PHE A C 1 ATOM 569 O O . PHE A 1 80 ? -11.206 -46.493 -30.731 1.00 73.69 ? 78 PHE A O 1 ATOM 570 C CB . PHE A 1 80 ? -13.892 -45.582 -29.819 1.00 76.52 ? 78 PHE A CB 1 ATOM 571 C CG . PHE A 1 80 ? -15.324 -45.789 -30.220 1.00 81.72 ? 78 PHE A CG 1 ATOM 572 C CD1 . PHE A 1 80 ? -16.090 -46.762 -29.595 1.00 82.72 ? 78 PHE A CD1 1 ATOM 573 C CD2 . PHE A 1 80 ? -15.903 -45.028 -31.226 1.00 89.53 ? 78 PHE A CD2 1 ATOM 574 C CE1 . PHE A 1 80 ? -17.406 -46.971 -29.958 1.00 84.85 ? 78 PHE A CE1 1 ATOM 575 C CE2 . PHE A 1 80 ? -17.220 -45.234 -31.593 1.00 93.19 ? 78 PHE A CE2 1 ATOM 576 C CZ . PHE A 1 80 ? -17.972 -46.208 -30.958 1.00 90.71 ? 78 PHE A CZ 1 ATOM 577 N N . HIS A 1 81 ? -10.955 -47.033 -28.559 1.00 67.71 ? 79 HIS A N 1 ATOM 578 C CA . HIS A 1 81 ? -9.498 -47.083 -28.604 1.00 66.71 ? 79 HIS A CA 1 ATOM 579 C C . HIS A 1 81 ? -8.993 -48.404 -28.043 1.00 62.68 ? 79 HIS A C 1 ATOM 580 O O . HIS A 1 81 ? -7.851 -48.526 -27.603 1.00 62.13 ? 79 HIS A O 1 ATOM 581 C CB . HIS A 1 81 ? -8.894 -45.904 -27.845 1.00 68.76 ? 79 HIS A CB 1 ATOM 582 C CG . HIS A 1 81 ? -9.195 -44.575 -28.464 1.00 72.82 ? 79 HIS A CG 1 ATOM 583 N ND1 . HIS A 1 81 ? -9.515 -43.461 -27.718 1.00 74.76 ? 79 HIS A ND1 1 ATOM 584 C CD2 . HIS A 1 81 ? -9.230 -44.183 -29.760 1.00 75.95 ? 79 HIS A CD2 1 ATOM 585 C CE1 . HIS A 1 81 ? -9.730 -42.439 -28.528 1.00 79.43 ? 79 HIS A CE1 1 ATOM 586 N NE2 . HIS A 1 81 ? -9.566 -42.851 -29.772 1.00 79.24 ? 79 HIS A NE2 1 ATOM 587 N N . ASN A 1 82 ? -9.875 -49.391 -28.078 1.00 59.69 ? 80 ASN A N 1 ATOM 588 C CA . ASN A 1 82 ? -9.548 -50.760 -27.680 1.00 56.57 ? 80 ASN A CA 1 ATOM 589 C C . ASN A 1 82 ? -9.092 -50.843 -26.229 1.00 55.13 ? 80 ASN A C 1 ATOM 590 O O . ASN A 1 82 ? -8.308 -51.716 -25.837 1.00 53.34 ? 80 ASN A O 1 ATOM 591 C CB . ASN A 1 82 ? -8.479 -51.323 -28.611 1.00 57.36 ? 80 ASN A CB 1 ATOM 592 C CG . ASN A 1 82 ? -8.795 -51.063 -30.075 1.00 58.59 ? 80 ASN A CG 1 ATOM 593 O OD1 . ASN A 1 82 ? -9.886 -51.372 -30.548 1.00 55.74 ? 80 ASN A OD1 1 ATOM 594 N ND2 . ASN A 1 82 ? -7.844 -50.477 -30.794 1.00 62.88 ? 80 ASN A ND2 1 ATOM 595 N N . ASP A 1 83 ? -9.601 -49.903 -25.444 1.00 55.28 ? 81 ASP A N 1 ATOM 596 C CA . ASP A 1 83 ? -9.355 -49.844 -24.006 1.00 53.26 ? 81 ASP A CA 1 ATOM 597 C C . ASP A 1 83 ? -10.648 -50.097 -23.257 1.00 52.10 ? 81 ASP A C 1 ATOM 598 O O . ASP A 1 83 ? -11.530 -49.243 -23.204 1.00 53.99 ? 81 ASP A O 1 ATOM 599 C CB . ASP A 1 83 ? -8.800 -48.468 -23.645 1.00 55.39 ? 81 ASP A CB 1 ATOM 600 C CG . ASP A 1 83 ? -8.648 -48.261 -22.153 1.00 52.58 ? 81 ASP A CG 1 ATOM 601 O OD1 . ASP A 1 83 ? -8.847 -49.216 -21.383 1.00 49.18 ? 81 ASP A OD1 1 ATOM 602 O OD2 . ASP A 1 83 ? -8.319 -47.131 -21.748 1.00 55.44 ? 81 ASP A OD2 1 ATOM 603 N N . GLY A 1 84 ? -10.756 -51.286 -22.687 1.00 50.15 ? 82 GLY A N 1 ATOM 604 C CA . GLY A 1 84 ? -11.975 -51.699 -21.990 1.00 49.90 ? 82 GLY A CA 1 ATOM 605 C C . GLY A 1 84 ? -11.786 -51.868 -20.497 1.00 49.28 ? 82 GLY A C 1 ATOM 606 O O . GLY A 1 84 ? -12.367 -52.753 -19.876 1.00 49.10 ? 82 GLY A O 1 ATOM 607 N N . SER A 1 85 ? -10.960 -51.009 -19.926 1.00 50.21 ? 83 SER A N 1 ATOM 608 C CA . SER A 1 85 ? -10.649 -51.080 -18.492 1.00 49.68 ? 83 SER A CA 1 ATOM 609 C C . SER A 1 85 ? -11.866 -50.843 -17.616 1.00 50.02 ? 83 SER A C 1 ATOM 610 O O . SER A 1 85 ? -12.767 -50.075 -17.946 1.00 51.79 ? 83 SER A O 1 ATOM 611 C CB . SER A 1 85 ? -9.553 -50.085 -18.119 1.00 51.26 ? 83 SER A CB 1 ATOM 612 O OG . SER A 1 85 ? -8.417 -50.257 -18.947 1.00 52.25 ? 83 SER A OG 1 ATOM 613 N N . LEU A 1 86 ? -11.858 -51.520 -16.480 1.00 49.04 ? 84 LEU A N 1 ATOM 614 C CA . LEU A 1 86 ? -12.949 -51.449 -15.514 1.00 49.72 ? 84 LEU A CA 1 ATOM 615 C C . LEU A 1 86 ? -12.568 -50.664 -14.274 1.00 50.09 ? 84 LEU A C 1 ATOM 616 O O . LEU A 1 86 ? -11.451 -50.764 -13.770 1.00 49.39 ? 84 LEU A O 1 ATOM 617 C CB . LEU A 1 86 ? -13.370 -52.862 -15.102 1.00 49.03 ? 84 LEU A CB 1 ATOM 618 C CG . LEU A 1 86 ? -14.536 -52.958 -14.118 1.00 49.95 ? 84 LEU A CG 1 ATOM 619 C CD1 . LEU A 1 86 ? -15.764 -52.214 -14.634 1.00 50.43 ? 84 LEU A CD1 1 ATOM 620 C CD2 . LEU A 1 86 ? -14.849 -54.414 -13.857 1.00 52.13 ? 84 LEU A CD2 1 ATOM 621 N N . LEU A 1 87 ? -13.533 -49.896 -13.787 1.00 51.39 ? 85 LEU A N 1 ATOM 622 C CA . LEU A 1 87 ? -13.387 -49.146 -12.540 1.00 52.23 ? 85 LEU A CA 1 ATOM 623 C C . LEU A 1 87 ? -14.457 -49.561 -11.556 1.00 52.92 ? 85 LEU A C 1 ATOM 624 O O . LEU A 1 87 ? -15.632 -49.244 -11.736 1.00 55.28 ? 85 LEU A O 1 ATOM 625 C CB . LEU A 1 87 ? -13.503 -47.640 -12.782 1.00 54.36 ? 85 LEU A CB 1 ATOM 626 C CG . LEU A 1 87 ? -13.618 -46.791 -11.504 1.00 55.19 ? 85 LEU A CG 1 ATOM 627 C CD1 . LEU A 1 87 ? -12.341 -46.895 -10.689 1.00 53.32 ? 85 LEU A CD1 1 ATOM 628 C CD2 . LEU A 1 87 ? -13.938 -45.335 -11.811 1.00 55.90 ? 85 LEU A CD2 1 ATOM 629 N N . LEU A 1 88 ? -14.034 -50.256 -10.509 1.00 51.91 ? 86 LEU A N 1 ATOM 630 C CA . LEU A 1 88 ? -14.939 -50.703 -9.451 1.00 52.91 ? 86 LEU A CA 1 ATOM 631 C C . LEU A 1 88 ? -14.801 -49.802 -8.241 1.00 54.76 ? 86 LEU A C 1 ATOM 632 O O . LEU A 1 88 ? -13.731 -49.693 -7.642 1.00 53.93 ? 86 LEU A O 1 ATOM 633 C CB . LEU A 1 88 ? -14.665 -52.159 -9.067 1.00 51.01 ? 86 LEU A CB 1 ATOM 634 C CG . LEU A 1 88 ? -15.691 -52.800 -8.121 1.00 52.59 ? 86 LEU A CG 1 ATOM 635 C CD1 . LEU A 1 88 ? -17.114 -52.658 -8.668 1.00 53.08 ? 86 LEU A CD1 1 ATOM 636 C CD2 . LEU A 1 88 ? -15.360 -54.272 -7.855 1.00 47.41 ? 86 LEU A CD2 1 ATOM 637 N N . GLN A 1 89 ? -15.910 -49.155 -7.903 1.00 57.67 ? 87 GLN A N 1 ATOM 638 C CA . GLN A 1 89 ? -15.958 -48.210 -6.787 1.00 60.35 ? 87 GLN A CA 1 ATOM 639 C C . GLN A 1 89 ? -16.430 -48.869 -5.514 1.00 61.60 ? 87 GLN A C 1 ATOM 640 O O . GLN A 1 89 ? -17.134 -49.877 -5.534 1.00 62.32 ? 87 GLN A O 1 ATOM 641 C CB . GLN A 1 89 ? -16.886 -47.031 -7.092 1.00 63.46 ? 87 GLN A CB 1 ATOM 642 C CG . GLN A 1 89 ? -16.314 -45.997 -8.026 1.00 65.31 ? 87 GLN A CG 1 ATOM 643 C CD . GLN A 1 89 ? -17.244 -44.816 -8.170 1.00 69.19 ? 87 GLN A CD 1 ATOM 644 O OE1 . GLN A 1 89 ? -18.419 -44.987 -8.485 1.00 71.37 ? 87 GLN A OE1 1 ATOM 645 N NE2 . GLN A 1 89 ? -16.734 -43.613 -7.922 1.00 72.05 ? 87 GLN A NE2 1 ATOM 646 N N . ASP A 1 90 ? -16.032 -48.270 -4.402 1.00 62.91 ? 88 ASP A N 1 ATOM 647 C CA . ASP A 1 90 ? -16.599 -48.606 -3.105 1.00 64.26 ? 88 ASP A CA 1 ATOM 648 C C . ASP A 1 90 ? -16.575 -50.107 -2.910 1.00 61.50 ? 88 ASP A C 1 ATOM 649 O O . ASP A 1 90 ? -17.605 -50.758 -2.767 1.00 62.06 ? 88 ASP A O 1 ATOM 650 C CB . ASP A 1 90 ? -18.028 -48.083 -3.018 1.00 68.04 ? 88 ASP A CB 1 ATOM 651 C CG . ASP A 1 90 ? -18.321 -47.429 -1.690 1.00 74.36 ? 88 ASP A CG 1 ATOM 652 O OD1 . ASP A 1 90 ? -17.746 -47.878 -0.678 1.00 77.01 ? 88 ASP A OD1 1 ATOM 653 O OD2 . ASP A 1 90 ? -19.116 -46.463 -1.660 1.00 83.51 ? 88 ASP A OD2 1 ATOM 654 N N . VAL A 1 91 ? -15.364 -50.637 -2.914 1.00 59.27 ? 89 VAL A N 1 ATOM 655 C CA . VAL A 1 91 ? -15.131 -52.077 -2.847 1.00 57.02 ? 89 VAL A CA 1 ATOM 656 C C . VAL A 1 91 ? -15.472 -52.635 -1.485 1.00 57.40 ? 89 VAL A C 1 ATOM 657 O O . VAL A 1 91 ? -15.077 -52.105 -0.456 1.00 57.26 ? 89 VAL A O 1 ATOM 658 C CB . VAL A 1 91 ? -13.659 -52.422 -3.175 1.00 54.87 ? 89 VAL A CB 1 ATOM 659 C CG1 . VAL A 1 91 ? -13.379 -53.891 -2.925 1.00 53.78 ? 89 VAL A CG1 1 ATOM 660 C CG2 . VAL A 1 91 ? -13.342 -52.051 -4.613 1.00 54.74 ? 89 VAL A CG2 1 ATOM 661 N N . GLN A 1 92 ? -16.232 -53.713 -1.512 1.00 58.34 ? 90 GLN A N 1 ATOM 662 C CA . GLN A 1 92 ? -16.584 -54.457 -0.311 1.00 60.26 ? 90 GLN A CA 1 ATOM 663 C C . GLN A 1 92 ? -15.735 -55.708 -0.187 1.00 57.97 ? 90 GLN A C 1 ATOM 664 O O . GLN A 1 92 ? -15.066 -56.130 -1.119 1.00 54.94 ? 90 GLN A O 1 ATOM 665 C CB . GLN A 1 92 ? -18.058 -54.851 -0.349 1.00 63.35 ? 90 GLN A CB 1 ATOM 666 C CG . GLN A 1 92 ? -19.013 -53.684 -0.553 1.00 69.06 ? 90 GLN A CG 1 ATOM 667 C CD . GLN A 1 92 ? -20.395 -54.140 -0.995 1.00 76.97 ? 90 GLN A CD 1 ATOM 668 O OE1 . GLN A 1 92 ? -20.582 -55.292 -1.400 1.00 79.43 ? 90 GLN A OE1 1 ATOM 669 N NE2 . GLN A 1 92 ? -21.371 -53.237 -0.923 1.00 80.83 ? 90 GLN A NE2 1 ATOM 670 N N . LYS A 1 93 ? -15.798 -56.298 0.992 1.00 59.78 ? 91 LYS A N 1 ATOM 671 C CA . LYS A 1 93 ? -15.103 -57.555 1.283 1.00 59.23 ? 91 LYS A CA 1 ATOM 672 C C . LYS A 1 93 ? -15.650 -58.658 0.394 1.00 58.78 ? 91 LYS A C 1 ATOM 673 O O . LYS A 1 93 ? -14.941 -59.584 0.018 1.00 57.47 ? 91 LYS A O 1 ATOM 674 C CB . LYS A 1 93 ? -15.291 -57.942 2.752 1.00 61.69 ? 91 LYS A CB 1 ATOM 675 C CG . LYS A 1 93 ? -14.623 -59.240 3.159 1.00 63.67 ? 91 LYS A CG 1 ATOM 676 C CD . LYS A 1 93 ? -13.111 -59.103 3.221 1.00 64.00 ? 91 LYS A CD 1 ATOM 677 C CE . LYS A 1 93 ? -12.483 -60.357 3.821 1.00 65.81 ? 91 LYS A CE 1 ATOM 678 N NZ . LYS A 1 93 ? -11.002 -60.287 3.891 1.00 66.21 ? 91 LYS A NZ 1 ATOM 679 N N . ALA A 1 94 ? -16.926 -58.539 0.058 1.00 60.16 ? 92 ALA A N 1 ATOM 680 C CA . ALA A 1 94 ? -17.611 -59.565 -0.732 1.00 60.77 ? 92 ALA A CA 1 ATOM 681 C C . ALA A 1 94 ? -17.012 -59.611 -2.120 1.00 59.05 ? 92 ALA A C 1 ATOM 682 O O . ALA A 1 94 ? -17.080 -60.624 -2.804 1.00 60.24 ? 92 ALA A O 1 ATOM 683 C CB . ALA A 1 94 ? -19.107 -59.293 -0.812 1.00 62.54 ? 92 ALA A CB 1 ATOM 684 N N . ASP A 1 95 ? -16.413 -58.494 -2.510 1.00 57.42 ? 93 ASP A N 1 ATOM 685 C CA . ASP A 1 95 ? -15.831 -58.321 -3.843 1.00 54.95 ? 93 ASP A CA 1 ATOM 686 C C . ASP A 1 95 ? -14.489 -59.008 -3.947 1.00 53.11 ? 93 ASP A C 1 ATOM 687 O O . ASP A 1 95 ? -13.820 -58.932 -4.971 1.00 52.90 ? 93 ASP A O 1 ATOM 688 C CB . ASP A 1 95 ? -15.642 -56.836 -4.165 1.00 54.57 ? 93 ASP A CB 1 ATOM 689 C CG . ASP A 1 95 ? -16.952 -56.085 -4.265 1.00 59.40 ? 93 ASP A CG 1 ATOM 690 O OD1 . ASP A 1 95 ? -18.020 -56.730 -4.380 1.00 61.04 ? 93 ASP A OD1 1 ATOM 691 O OD2 . ASP A 1 95 ? -16.904 -54.834 -4.233 1.00 64.44 ? 93 ASP A OD2 1 ATOM 692 N N . GLU A 1 96 ? -14.089 -59.665 -2.872 1.00 53.53 ? 94 GLU A N 1 ATOM 693 C CA . GLU A 1 96 ? -12.789 -60.339 -2.841 1.00 52.64 ? 94 GLU A CA 1 ATOM 694 C C . GLU A 1 96 ? -12.832 -61.544 -3.760 1.00 52.59 ? 94 GLU A C 1 ATOM 695 O O . GLU A 1 96 ? -13.607 -62.477 -3.559 1.00 54.41 ? 94 GLU A O 1 ATOM 696 C CB . GLU A 1 96 ? -12.404 -60.758 -1.417 1.00 54.02 ? 94 GLU A CB 1 ATOM 697 C CG . GLU A 1 96 ? -10.972 -61.237 -1.269 1.00 55.49 ? 94 GLU A CG 1 ATOM 698 C CD . GLU A 1 96 ? -10.602 -61.504 0.175 1.00 60.70 ? 94 GLU A CD 1 ATOM 699 O OE1 . GLU A 1 96 ? -11.298 -62.315 0.829 1.00 61.94 ? 94 GLU A OE1 1 ATOM 700 O OE2 . GLU A 1 96 ? -9.615 -60.902 0.655 1.00 63.45 ? 94 GLU A OE2 1 ATOM 701 N N . GLY A 1 97 ? -12.001 -61.505 -4.790 1.00 51.18 ? 95 GLY A N 1 ATOM 702 C CA . GLY A 1 97 ? -11.892 -62.636 -5.707 1.00 51.60 ? 95 GLY A CA 1 ATOM 703 C C . GLY A 1 97 ? -11.115 -62.390 -6.978 1.00 49.85 ? 95 GLY A C 1 ATOM 704 O O . GLY A 1 97 ? -10.249 -61.516 -7.055 1.00 48.42 ? 95 GLY A O 1 ATOM 705 N N . ILE A 1 98 ? -11.458 -63.183 -7.980 1.00 50.04 ? 96 ILE A N 1 ATOM 706 C CA . ILE A 1 98 ? -10.792 -63.148 -9.275 1.00 48.65 ? 96 ILE A CA 1 ATOM 707 C C . ILE A 1 98 ? -11.638 -62.400 -10.284 1.00 46.81 ? 96 ILE A C 1 ATOM 708 O O . ILE A 1 98 ? -12.822 -62.664 -10.451 1.00 47.47 ? 96 ILE A O 1 ATOM 709 C CB . ILE A 1 98 ? -10.523 -64.571 -9.792 1.00 50.28 ? 96 ILE A CB 1 ATOM 710 C CG1 . ILE A 1 98 ? -9.819 -65.390 -8.710 1.00 54.18 ? 96 ILE A CG1 1 ATOM 711 C CG2 . ILE A 1 98 ? -9.690 -64.532 -11.051 1.00 47.97 ? 96 ILE A CG2 1 ATOM 712 C CD1 . ILE A 1 98 ? -9.690 -66.868 -9.038 1.00 61.81 ? 96 ILE A CD1 1 ATOM 713 N N . TYR A 1 99 ? -11.001 -61.455 -10.950 1.00 45.88 ? 97 TYR A N 1 ATOM 714 C CA . TYR A 1 99 ? -11.641 -60.663 -11.998 1.00 45.45 ? 97 TYR A CA 1 ATOM 715 C C . TYR A 1 99 ? -10.978 -60.934 -13.337 1.00 45.68 ? 97 TYR A C 1 ATOM 716 O O . TYR A 1 99 ? -9.761 -60.893 -13.468 1.00 45.59 ? 97 TYR A O 1 ATOM 717 C CB . TYR A 1 99 ? -11.566 -59.180 -11.654 1.00 44.37 ? 97 TYR A CB 1 ATOM 718 C CG . TYR A 1 99 ? -12.427 -58.800 -10.479 1.00 45.93 ? 97 TYR A CG 1 ATOM 719 C CD1 . TYR A 1 99 ? -12.078 -59.176 -9.186 1.00 49.95 ? 97 TYR A CD1 1 ATOM 720 C CD2 . TYR A 1 99 ? -13.599 -58.078 -10.658 1.00 46.63 ? 97 TYR A CD2 1 ATOM 721 C CE1 . TYR A 1 99 ? -12.873 -58.843 -8.099 1.00 50.54 ? 97 TYR A CE1 1 ATOM 722 C CE2 . TYR A 1 99 ? -14.403 -57.739 -9.579 1.00 49.20 ? 97 TYR A CE2 1 ATOM 723 C CZ . TYR A 1 99 ? -14.031 -58.124 -8.301 1.00 51.40 ? 97 TYR A CZ 1 ATOM 724 O OH . TYR A 1 99 ? -14.816 -57.790 -7.224 1.00 50.50 ? 97 TYR A OH 1 ATOM 725 N N . THR A 1 100 ? -11.800 -61.228 -14.329 1.00 47.29 ? 98 THR A N 1 ATOM 726 C CA . THR A 1 100 ? -11.304 -61.635 -15.637 1.00 48.64 ? 98 THR A CA 1 ATOM 727 C C . THR A 1 100 ? -11.913 -60.824 -16.758 1.00 48.97 ? 98 THR A C 1 ATOM 728 O O . THR A 1 100 ? -13.127 -60.749 -16.905 1.00 49.41 ? 98 THR A O 1 ATOM 729 C CB . THR A 1 100 ? -11.585 -63.124 -15.887 1.00 49.92 ? 98 THR A CB 1 ATOM 730 O OG1 . THR A 1 100 ? -10.760 -63.911 -15.020 1.00 54.18 ? 98 THR A OG1 1 ATOM 731 C CG2 . THR A 1 100 ? -11.279 -63.496 -17.318 1.00 51.64 ? 98 THR A CG2 1 ATOM 732 N N . CYS A 1 101 ? -11.035 -60.233 -17.552 1.00 50.23 ? 99 CYS A N 1 ATOM 733 C CA . CYS A 1 101 ? -11.439 -59.483 -18.740 1.00 51.37 ? 99 CYS A CA 1 ATOM 734 C C . CYS A 1 101 ? -11.307 -60.313 -19.999 1.00 51.54 ? 99 CYS A C 1 ATOM 735 O O . CYS A 1 101 ? -10.252 -60.869 -20.285 1.00 51.59 ? 99 CYS A O 1 ATOM 736 C CB . CYS A 1 101 ? -10.598 -58.222 -18.906 1.00 51.53 ? 99 CYS A CB 1 ATOM 737 S SG . CYS A 1 101 ? -11.312 -57.094 -20.104 1.00 58.03 ? 99 CYS A SG 1 ATOM 738 N N . GLU A 1 102 ? -12.402 -60.383 -20.742 1.00 52.19 ? 100 GLU A N 1 ATOM 739 C CA . GLU A 1 102 ? -12.413 -61.015 -22.063 1.00 53.05 ? 100 GLU A CA 1 ATOM 740 C C . GLU A 1 102 ? -12.909 -60.054 -23.120 1.00 51.38 ? 100 GLU A C 1 ATOM 741 O O . GLU A 1 102 ? -14.049 -59.595 -23.084 1.00 51.42 ? 100 GLU A O 1 ATOM 742 C CB . GLU A 1 102 ? -13.293 -62.259 -22.072 1.00 55.25 ? 100 GLU A CB 1 ATOM 743 C CG . GLU A 1 102 ? -12.532 -63.540 -21.810 1.00 61.89 ? 100 GLU A CG 1 ATOM 744 C CD . GLU A 1 102 ? -13.276 -64.769 -22.310 1.00 69.71 ? 100 GLU A CD 1 ATOM 745 O OE1 . GLU A 1 102 ? -13.428 -64.913 -23.543 1.00 71.11 ? 100 GLU A OE1 1 ATOM 746 O OE2 . GLU A 1 102 ? -13.704 -65.596 -21.471 1.00 74.41 ? 100 GLU A OE2 1 ATOM 747 N N . ILE A 1 103 ? -12.032 -59.758 -24.063 1.00 49.94 ? 101 ILE A N 1 ATOM 748 C CA . ILE A 1 103 ? -12.391 -58.926 -25.198 1.00 49.87 ? 101 ILE A CA 1 ATOM 749 C C . ILE A 1 103 ? -12.428 -59.743 -26.461 1.00 49.64 ? 101 ILE A C 1 ATOM 750 O O . ILE A 1 103 ? -11.466 -60.440 -26.801 1.00 50.23 ? 101 ILE A O 1 ATOM 751 C CB . ILE A 1 103 ? -11.386 -57.797 -25.414 1.00 49.86 ? 101 ILE A CB 1 ATOM 752 C CG1 . ILE A 1 103 ? -11.382 -56.859 -24.208 1.00 50.76 ? 101 ILE A CG1 1 ATOM 753 C CG2 . ILE A 1 103 ? -11.734 -57.033 -26.674 1.00 50.90 ? 101 ILE A CG2 1 ATOM 754 C CD1 . ILE A 1 103 ? -10.445 -55.679 -24.352 1.00 48.55 ? 101 ILE A CD1 1 ATOM 755 N N . ARG A 1 104 ? -13.554 -59.651 -27.155 1.00 48.70 ? 102 ARG A N 1 ATOM 756 C CA . ARG A 1 104 ? -13.664 -60.238 -28.484 1.00 48.62 ? 102 ARG A CA 1 ATOM 757 C C . ARG A 1 104 ? -13.367 -59.179 -29.520 1.00 47.74 ? 102 ARG A C 1 ATOM 758 O O . ARG A 1 104 ? -13.978 -58.122 -29.540 1.00 47.09 ? 102 ARG A O 1 ATOM 759 C CB . ARG A 1 104 ? -15.033 -60.859 -28.721 1.00 49.70 ? 102 ARG A CB 1 ATOM 760 C CG . ARG A 1 104 ? -15.217 -61.336 -30.144 1.00 51.99 ? 102 ARG A CG 1 ATOM 761 C CD . ARG A 1 104 ? -16.103 -62.555 -30.262 1.00 52.35 ? 102 ARG A CD 1 ATOM 762 N NE . ARG A 1 104 ? -16.292 -62.885 -31.671 1.00 53.90 ? 102 ARG A NE 1 ATOM 763 C CZ . ARG A 1 104 ? -16.372 -64.117 -32.162 1.00 56.88 ? 102 ARG A CZ 1 ATOM 764 N NH1 . ARG A 1 104 ? -16.285 -65.171 -31.364 1.00 61.38 ? 102 ARG A NH1 1 ATOM 765 N NH2 . ARG A 1 104 ? -16.530 -64.292 -33.463 1.00 57.36 ? 102 ARG A NH2 1 ATOM 766 N N . LEU A 1 105 ? -12.389 -59.484 -30.361 1.00 48.05 ? 103 LEU A N 1 ATOM 767 C CA . LEU A 1 105 ? -11.930 -58.566 -31.400 1.00 48.55 ? 103 LEU A CA 1 ATOM 768 C C . LEU A 1 105 ? -12.752 -58.761 -32.647 1.00 50.17 ? 103 LEU A C 1 ATOM 769 O O . LEU A 1 105 ? -13.275 -59.844 -32.903 1.00 51.41 ? 103 LEU A O 1 ATOM 770 C CB . LEU A 1 105 ? -10.448 -58.786 -31.727 1.00 48.70 ? 103 LEU A CB 1 ATOM 771 C CG . LEU A 1 105 ? -9.435 -58.431 -30.638 1.00 46.86 ? 103 LEU A CG 1 ATOM 772 C CD1 . LEU A 1 105 ? -8.019 -58.722 -31.133 1.00 47.33 ? 103 LEU A CD1 1 ATOM 773 C CD2 . LEU A 1 105 ? -9.574 -56.978 -30.219 1.00 43.58 ? 103 LEU A CD2 1 ATOM 774 N N . LYS A 1 106 ? -12.853 -57.698 -33.428 1.00 51.40 ? 104 LYS A N 1 ATOM 775 C CA . LYS A 1 106 ? -13.659 -57.728 -34.646 1.00 53.44 ? 104 LYS A CA 1 ATOM 776 C C . LYS A 1 106 ? -13.097 -58.710 -35.665 1.00 54.69 ? 104 LYS A C 1 ATOM 777 O O . LYS A 1 106 ? -13.821 -59.189 -36.536 1.00 56.07 ? 104 LYS A O 1 ATOM 778 C CB . LYS A 1 106 ? -13.825 -56.332 -35.247 1.00 55.03 ? 104 LYS A CB 1 ATOM 779 C CG . LYS A 1 106 ? -14.862 -55.524 -34.492 1.00 56.09 ? 104 LYS A CG 1 ATOM 780 C CD . LYS A 1 106 ? -15.215 -54.220 -35.167 1.00 59.62 ? 104 LYS A CD 1 ATOM 781 C CE . LYS A 1 106 ? -16.382 -53.560 -34.452 1.00 60.99 ? 104 LYS A CE 1 ATOM 782 N NZ . LYS A 1 106 ? -16.918 -52.391 -35.198 1.00 67.26 ? 104 LYS A NZ 1 ATOM 783 N N . ASN A 1 107 ? -11.810 -59.017 -35.539 1.00 54.89 ? 105 ASN A N 1 ATOM 784 C CA . ASN A 1 107 ? -11.173 -60.027 -36.401 1.00 55.90 ? 105 ASN A CA 1 ATOM 785 C C . ASN A 1 107 ? -11.477 -61.424 -35.882 1.00 56.61 ? 105 ASN A C 1 ATOM 786 O O . ASN A 1 107 ? -11.027 -62.430 -36.431 1.00 59.15 ? 105 ASN A O 1 ATOM 787 C CB . ASN A 1 107 ? -9.667 -59.793 -36.565 1.00 56.17 ? 105 ASN A CB 1 ATOM 788 C CG . ASN A 1 107 ? -8.862 -60.129 -35.321 1.00 53.83 ? 105 ASN A CG 1 ATOM 789 O OD1 . ASN A 1 107 ? -9.379 -60.632 -34.322 1.00 51.64 ? 105 ASN A OD1 1 ATOM 790 N ND2 . ASN A 1 107 ? -7.572 -59.842 -35.387 1.00 53.20 ? 105 ASN A ND2 1 ATOM 791 N N . GLU A 1 108 ? -12.274 -61.444 -34.824 1.00 55.94 ? 106 GLU A N 1 ATOM 792 C CA . GLU A 1 108 ? -12.894 -62.658 -34.272 1.00 56.97 ? 106 GLU A CA 1 ATOM 793 C C . GLU A 1 108 ? -12.001 -63.448 -33.343 1.00 57.24 ? 106 GLU A C 1 ATOM 794 O O . GLU A 1 108 ? -12.447 -64.379 -32.673 1.00 58.09 ? 106 GLU A O 1 ATOM 795 C CB . GLU A 1 108 ? -13.441 -63.553 -35.382 1.00 58.84 ? 106 GLU A CB 1 ATOM 796 C CG . GLU A 1 108 ? -14.489 -62.844 -36.228 1.00 61.94 ? 106 GLU A CG 1 ATOM 797 C CD . GLU A 1 108 ? -15.065 -63.729 -37.299 1.00 66.10 ? 106 GLU A CD 1 ATOM 798 O OE1 . GLU A 1 108 ? -15.509 -64.849 -36.953 1.00 68.67 ? 106 GLU A OE1 1 ATOM 799 O OE2 . GLU A 1 108 ? -15.067 -63.306 -38.478 1.00 65.26 ? 106 GLU A OE2 1 ATOM 800 N N . SER A 1 109 ? -10.739 -63.062 -33.290 1.00 57.73 ? 107 SER A N 1 ATOM 801 C CA . SER A 1 109 ? -9.851 -63.588 -32.256 1.00 57.64 ? 107 SER A CA 1 ATOM 802 C C . SER A 1 109 ? -10.329 -63.041 -30.931 1.00 56.22 ? 107 SER A C 1 ATOM 803 O O . SER A 1 109 ? -11.082 -62.071 -30.874 1.00 55.34 ? 107 SER A O 1 ATOM 804 C CB . SER A 1 109 ? -8.395 -63.194 -32.499 1.00 58.64 ? 107 SER A CB 1 ATOM 805 O OG . SER A 1 109 ? -7.539 -63.825 -31.565 1.00 58.13 ? 107 SER A OG 1 ATOM 806 N N . MET A 1 110 ? -9.903 -63.690 -29.865 1.00 56.88 ? 108 MET A N 1 ATOM 807 C CA . MET A 1 110 ? -10.220 -63.224 -28.523 1.00 56.48 ? 108 MET A CA 1 ATOM 808 C C . MET A 1 110 ? -8.970 -62.868 -27.767 1.00 54.94 ? 108 MET A C 1 ATOM 809 O O . MET A 1 110 ? -7.889 -63.383 -28.030 1.00 56.13 ? 108 MET A O 1 ATOM 810 C CB . MET A 1 110 ? -11.015 -64.276 -27.752 1.00 58.10 ? 108 MET A CB 1 ATOM 811 C CG . MET A 1 110 ? -12.477 -64.286 -28.134 1.00 63.21 ? 108 MET A CG 1 ATOM 812 S SD . MET A 1 110 ? -13.512 -65.082 -26.906 1.00 73.91 ? 108 MET A SD 1 ATOM 813 C CE . MET A 1 110 ? -15.146 -64.767 -27.582 1.00 75.48 ? 108 MET A CE 1 ATOM 814 N N . VAL A 1 111 ? -9.138 -61.938 -26.845 1.00 52.17 ? 109 VAL A N 1 ATOM 815 C CA . VAL A 1 111 ? -8.077 -61.565 -25.932 1.00 50.58 ? 109 VAL A CA 1 ATOM 816 C C . VAL A 1 111 ? -8.587 -61.706 -24.517 1.00 50.23 ? 109 VAL A C 1 ATOM 817 O O . VAL A 1 111 ? -9.485 -60.995 -24.088 1.00 49.87 ? 109 VAL A O 1 ATOM 818 C CB . VAL A 1 111 ? -7.593 -60.123 -26.179 1.00 49.58 ? 109 VAL A CB 1 ATOM 819 C CG1 . VAL A 1 111 ? -6.540 -59.727 -25.154 1.00 49.39 ? 109 VAL A CG1 1 ATOM 820 C CG2 . VAL A 1 111 ? -7.051 -59.985 -27.589 1.00 46.36 ? 109 VAL A CG2 1 ATOM 821 N N . MET A 1 112 ? -8.017 -62.669 -23.817 1.00 51.86 ? 110 MET A N 1 ATOM 822 C CA . MET A 1 112 ? -8.240 -62.824 -22.394 1.00 51.32 ? 110 MET A CA 1 ATOM 823 C C . MET A 1 112 ? -7.027 -62.260 -21.681 1.00 51.74 ? 110 MET A C 1 ATOM 824 O O . MET A 1 112 ? -5.889 -62.637 -21.967 1.00 53.90 ? 110 MET A O 1 ATOM 825 C CB . MET A 1 112 ? -8.421 -64.298 -22.036 1.00 52.97 ? 110 MET A CB 1 ATOM 826 C CG . MET A 1 112 ? -8.855 -64.551 -20.596 1.00 56.81 ? 110 MET A CG 1 ATOM 827 S SD . MET A 1 112 ? -9.005 -66.313 -20.219 1.00 63.97 ? 110 MET A SD 1 ATOM 828 C CE . MET A 1 112 ? -9.068 -66.298 -18.429 1.00 63.03 ? 110 MET A CE 1 ATOM 829 N N . LYS A 1 113 ? -7.275 -61.342 -20.763 1.00 50.63 ? 111 LYS A N 1 ATOM 830 C CA . LYS A 1 113 ? -6.214 -60.816 -19.917 1.00 51.41 ? 111 LYS A CA 1 ATOM 831 C C . LYS A 1 113 ? -6.107 -61.662 -18.669 1.00 52.86 ? 111 LYS A C 1 ATOM 832 O O . LYS A 1 113 ? -7.074 -62.292 -18.236 1.00 53.10 ? 111 LYS A O 1 ATOM 833 C CB . LYS A 1 113 ? -6.454 -59.351 -19.561 1.00 50.38 ? 111 LYS A CB 1 ATOM 834 C CG . LYS A 1 113 ? -6.252 -58.418 -20.736 1.00 53.29 ? 111 LYS A CG 1 ATOM 835 C CD . LYS A 1 113 ? -5.527 -57.139 -20.316 1.00 60.79 ? 111 LYS A CD 1 ATOM 836 C CE . LYS A 1 113 ? -4.819 -56.477 -21.498 1.00 65.97 ? 111 LYS A CE 1 ATOM 837 N NZ . LYS A 1 113 ? -4.013 -55.292 -21.079 1.00 67.94 ? 111 LYS A NZ 1 ATOM 838 N N . LYS A 1 114 ? -4.905 -61.687 -18.112 1.00 54.84 ? 112 LYS A N 1 ATOM 839 C CA . LYS A 1 114 ? -4.645 -62.444 -16.888 1.00 56.08 ? 112 LYS A CA 1 ATOM 840 C C . LYS A 1 114 ? -5.669 -62.100 -15.803 1.00 54.06 ? 112 LYS A C 1 ATOM 841 O O . LYS A 1 114 ? -5.858 -60.933 -15.467 1.00 52.69 ? 112 LYS A O 1 ATOM 842 C CB . LYS A 1 114 ? -3.226 -62.188 -16.365 1.00 58.48 ? 112 LYS A CB 1 ATOM 843 C CG . LYS A 1 114 ? -2.140 -62.873 -17.173 1.00 64.44 ? 112 LYS A CG 1 ATOM 844 C CD . LYS A 1 114 ? -0.886 -63.126 -16.338 1.00 70.98 ? 112 LYS A CD 1 ATOM 845 C CE . LYS A 1 114 ? 0.160 -63.926 -17.120 1.00 76.78 ? 112 LYS A CE 1 ATOM 846 N NZ . LYS A 1 114 ? 1.262 -64.443 -16.251 1.00 81.01 ? 112 LYS A NZ 1 ATOM 847 N N . PRO A 1 115 ? -6.328 -63.117 -15.240 1.00 54.54 ? 113 PRO A N 1 ATOM 848 C CA . PRO A 1 115 ? -7.232 -62.794 -14.151 1.00 53.70 ? 113 PRO A CA 1 ATOM 849 C C . PRO A 1 115 ? -6.494 -62.166 -12.980 1.00 53.51 ? 113 PRO A C 1 ATOM 850 O O . PRO A 1 115 ? -5.373 -62.559 -12.643 1.00 53.99 ? 113 PRO A O 1 ATOM 851 C CB . PRO A 1 115 ? -7.830 -64.152 -13.755 1.00 55.45 ? 113 PRO A CB 1 ATOM 852 C CG . PRO A 1 115 ? -7.478 -65.096 -14.850 1.00 56.62 ? 113 PRO A CG 1 ATOM 853 C CD . PRO A 1 115 ? -6.243 -64.565 -15.488 1.00 57.17 ? 113 PRO A CD 1 ATOM 854 N N . VAL A 1 116 ? -7.160 -61.193 -12.377 1.00 52.09 ? 114 VAL A N 1 ATOM 855 C CA . VAL A 1 116 ? -6.594 -60.390 -11.308 1.00 52.15 ? 114 VAL A CA 1 ATOM 856 C C . VAL A 1 116 ? -7.242 -60.717 -9.982 1.00 51.59 ? 114 VAL A C 1 ATOM 857 O O . VAL A 1 116 ? -8.450 -60.598 -9.822 1.00 51.22 ? 114 VAL A O 1 ATOM 858 C CB . VAL A 1 116 ? -6.810 -58.895 -11.594 1.00 51.34 ? 114 VAL A CB 1 ATOM 859 C CG1 . VAL A 1 116 ? -6.323 -58.052 -10.423 1.00 53.20 ? 114 VAL A CG1 1 ATOM 860 C CG2 . VAL A 1 116 ? -6.109 -58.504 -12.885 1.00 53.17 ? 114 VAL A CG2 1 ATOM 861 N N . GLU A 1 117 ? -6.414 -61.127 -9.032 1.00 52.55 ? 115 GLU A N 1 ATOM 862 C CA . GLU A 1 117 ? -6.878 -61.399 -7.671 1.00 52.75 ? 115 GLU A CA 1 ATOM 863 C C . GLU A 1 117 ? -7.084 -60.088 -6.941 1.00 51.05 ? 115 GLU A C 1 ATOM 864 O O . GLU A 1 117 ? -6.163 -59.282 -6.800 1.00 50.76 ? 115 GLU A O 1 ATOM 865 C CB . GLU A 1 117 ? -5.880 -62.263 -6.893 1.00 55.34 ? 115 GLU A CB 1 ATOM 866 C CG . GLU A 1 117 ? -5.609 -63.629 -7.479 1.00 57.81 ? 115 GLU A CG 1 ATOM 867 C CD . GLU A 1 117 ? -4.645 -64.422 -6.615 1.00 63.68 ? 115 GLU A CD 1 ATOM 868 O OE1 . GLU A 1 117 ? -4.991 -64.693 -5.447 1.00 66.39 ? 115 GLU A OE1 1 ATOM 869 O OE2 . GLU A 1 117 ? -3.541 -64.763 -7.092 1.00 67.97 ? 115 GLU A OE2 1 ATOM 870 N N . LEU A 1 118 ? -8.314 -59.884 -6.496 1.00 50.08 ? 116 LEU A N 1 ATOM 871 C CA . LEU A 1 118 ? -8.659 -58.732 -5.673 1.00 49.01 ? 116 LEU A CA 1 ATOM 872 C C . LEU A 1 118 ? -8.796 -59.179 -4.233 1.00 49.88 ? 116 LEU A C 1 ATOM 873 O O . LEU A 1 118 ? -9.722 -59.896 -3.876 1.00 49.04 ? 116 LEU A O 1 ATOM 874 C CB . LEU A 1 118 ? -9.955 -58.083 -6.157 1.00 48.04 ? 116 LEU A CB 1 ATOM 875 C CG . LEU A 1 118 ? -10.493 -56.909 -5.331 1.00 47.19 ? 116 LEU A CG 1 ATOM 876 C CD1 . LEU A 1 118 ? -9.500 -55.773 -5.304 1.00 48.14 ? 116 LEU A CD1 1 ATOM 877 C CD2 . LEU A 1 118 ? -11.832 -56.432 -5.877 1.00 42.14 ? 116 LEU A CD2 1 ATOM 878 N N . TRP A 1 119 ? -7.832 -58.754 -3.429 1.00 51.59 ? 117 TRP A N 1 ATOM 879 C CA . TRP A 1 119 ? -7.822 -59.014 -1.996 1.00 53.38 ? 117 TRP A CA 1 ATOM 880 C C . TRP A 1 119 ? -8.284 -57.769 -1.279 1.00 52.86 ? 117 TRP A C 1 ATOM 881 O O . TRP A 1 119 ? -7.667 -56.714 -1.383 1.00 52.00 ? 117 TRP A O 1 ATOM 882 C CB . TRP A 1 119 ? -6.415 -59.374 -1.508 1.00 55.12 ? 117 TRP A CB 1 ATOM 883 C CG . TRP A 1 119 ? -5.881 -60.639 -2.086 1.00 59.08 ? 117 TRP A CG 1 ATOM 884 C CD1 . TRP A 1 119 ? -5.323 -60.806 -3.317 1.00 58.06 ? 117 TRP A CD1 1 ATOM 885 C CD2 . TRP A 1 119 ? -5.848 -61.925 -1.452 1.00 66.54 ? 117 TRP A CD2 1 ATOM 886 N NE1 . TRP A 1 119 ? -4.940 -62.114 -3.491 1.00 60.00 ? 117 TRP A NE1 1 ATOM 887 C CE2 . TRP A 1 119 ? -5.257 -62.823 -2.363 1.00 66.66 ? 117 TRP A CE2 1 ATOM 888 C CE3 . TRP A 1 119 ? -6.265 -62.405 -0.207 1.00 70.42 ? 117 TRP A CE3 1 ATOM 889 C CZ2 . TRP A 1 119 ? -5.071 -64.173 -2.068 1.00 72.12 ? 117 TRP A CZ2 1 ATOM 890 C CZ3 . TRP A 1 119 ? -6.081 -63.746 0.084 1.00 74.44 ? 117 TRP A CZ3 1 ATOM 891 C CH2 . TRP A 1 119 ? -5.487 -64.613 -0.841 1.00 75.25 ? 117 TRP A CH2 1 ATOM 892 N N . VAL A 1 120 ? -9.377 -57.913 -0.546 1.00 54.00 ? 118 VAL A N 1 ATOM 893 C CA . VAL A 1 120 ? -9.963 -56.797 0.185 1.00 54.75 ? 118 VAL A CA 1 ATOM 894 C C . VAL A 1 120 ? -9.511 -56.808 1.629 1.00 57.23 ? 118 VAL A C 1 ATOM 895 O O . VAL A 1 120 ? -9.769 -57.751 2.369 1.00 58.77 ? 118 VAL A O 1 ATOM 896 C CB . VAL A 1 120 ? -11.491 -56.823 0.134 1.00 54.70 ? 118 VAL A CB 1 ATOM 897 C CG1 . VAL A 1 120 ? -12.049 -55.560 0.762 1.00 55.34 ? 118 VAL A CG1 1 ATOM 898 C CG2 . VAL A 1 120 ? -11.966 -56.965 -1.308 1.00 52.41 ? 118 VAL A CG2 1 ATOM 899 N N . LEU A 1 121 ? -8.834 -55.730 1.999 1.00 58.55 ? 119 LEU A N 1 ATOM 900 C CA . LEU A 1 121 ? -8.297 -55.526 3.350 1.00 60.66 ? 119 LEU A CA 1 ATOM 901 C C . LEU A 1 121 ? -9.326 -54.815 4.223 1.00 62.64 ? 119 LEU A C 1 ATOM 902 O O . LEU A 1 121 ? -10.309 -54.275 3.711 1.00 61.74 ? 119 LEU A O 1 ATOM 903 C CB . LEU A 1 121 ? -7.002 -54.699 3.299 1.00 61.46 ? 119 LEU A CB 1 ATOM 904 C CG . LEU A 1 121 ? -5.758 -55.486 2.876 1.00 62.22 ? 119 LEU A CG 1 ATOM 905 C CD1 . LEU A 1 121 ? -4.696 -54.591 2.248 1.00 60.29 ? 119 LEU A CD1 1 ATOM 906 C CD2 . LEU A 1 121 ? -5.197 -56.243 4.072 1.00 66.08 ? 119 LEU A CD2 1 ATOM 907 N N . PRO A 1 122 ? -9.105 -54.806 5.550 1.00 66.24 ? 120 PRO A N 1 ATOM 908 C CA . PRO A 1 122 ? -10.023 -54.101 6.452 1.00 68.75 ? 120 PRO A CA 1 ATOM 909 C C . PRO A 1 122 ? -10.077 -52.601 6.210 1.00 69.76 ? 120 PRO A C 1 ATOM 910 O O . PRO A 1 122 ? -9.176 -52.021 5.604 1.00 68.57 ? 120 PRO A O 1 ATOM 911 C CB . PRO A 1 122 ? -9.450 -54.394 7.845 1.00 70.21 ? 120 PRO A CB 1 ATOM 912 C CG . PRO A 1 122 ? -8.607 -55.596 7.676 1.00 69.45 ? 120 PRO A CG 1 ATOM 913 C CD . PRO A 1 122 ? -8.050 -55.516 6.295 1.00 67.15 ? 120 PRO A CD 1 ATOM 914 N N . GLU A 1 123 ? -11.143 -51.998 6.715 1.00 72.74 ? 121 GLU A N 1 ATOM 915 C CA . GLU A 1 123 ? -11.425 -50.569 6.503 1.00 75.58 ? 121 GLU A CA 1 ATOM 916 C C . GLU A 1 123 ? -10.309 -49.673 7.021 1.00 77.57 ? 121 GLU A C 1 ATOM 917 O O . GLU A 1 123 ? -9.726 -49.909 8.076 1.00 78.39 ? 121 GLU A O 1 ATOM 918 C CB . GLU A 1 123 ? -12.766 -50.165 7.143 1.00 78.20 ? 121 GLU A CB 1 ATOM 919 C CG . GLU A 1 123 ? -13.306 -48.821 6.675 1.00 81.84 ? 121 GLU A CG 1 ATOM 920 C CD . GLU A 1 123 ? -14.704 -48.530 7.213 1.00 88.45 ? 121 GLU A CD 1 ATOM 921 O OE1 . GLU A 1 123 ? -14.897 -48.601 8.449 1.00 89.50 ? 121 GLU A OE1 1 ATOM 922 O OE2 . GLU A 1 123 ? -15.606 -48.230 6.400 1.00 90.57 ? 121 GLU A OE2 1 ATOM 923 N N . GLU A 1 124 ? -10.031 -48.639 6.240 1.00 86.45 ? 122 GLU A N 1 ATOM 924 C CA . GLU A 1 124 ? -8.991 -47.648 6.568 1.00 85.15 ? 122 GLU A CA 1 ATOM 925 C C . GLU A 1 124 ? -9.308 -47.009 7.927 1.00 87.91 ? 122 GLU A C 1 ATOM 926 O O . GLU A 1 124 ? -10.448 -47.074 8.386 1.00 91.08 ? 122 GLU A O 1 ATOM 927 C CB . GLU A 1 124 ? -8.890 -46.577 5.468 1.00 81.78 ? 122 GLU A CB 1 ATOM 928 C CG . GLU A 1 124 ? -7.474 -46.119 5.157 1.00 80.62 ? 122 GLU A CG 1 ATOM 929 C CD . GLU A 1 124 ? -7.235 -45.918 3.668 1.00 81.55 ? 122 GLU A CD 1 ATOM 930 O OE1 . GLU A 1 124 ? -7.409 -46.886 2.899 1.00 83.81 ? 122 GLU A OE1 1 ATOM 931 O OE2 . GLU A 1 124 ? -6.867 -44.795 3.264 1.00 82.26 ? 122 GLU A OE2 1 ATOM 932 N N . PRO A 1 125 ? -8.303 -46.394 8.585 1.00 87.80 ? 123 PRO A N 1 ATOM 933 C CA . PRO A 1 125 ? -8.532 -45.832 9.923 1.00 89.90 ? 123 PRO A CA 1 ATOM 934 C C . PRO A 1 125 ? -9.671 -44.824 9.959 1.00 89.58 ? 123 PRO A C 1 ATOM 935 O O . PRO A 1 125 ? -10.608 -44.950 10.753 1.00 93.21 ? 123 PRO A O 1 ATOM 936 C CB . PRO A 1 125 ? -7.204 -45.135 10.232 1.00 88.26 ? 123 PRO A CB 1 ATOM 937 C CG . PRO A 1 125 ? -6.195 -45.925 9.474 1.00 87.18 ? 123 PRO A CG 1 ATOM 938 C CD . PRO A 1 125 ? -6.883 -46.302 8.196 1.00 85.57 ? 123 PRO A CD 1 ATOM 939 N N . ARG A 1 126 ? -9.562 -43.828 9.094 1.00 85.20 ? 124 ARG A N 1 ATOM 940 C CA . ARG A 1 126 ? -10.606 -42.814 8.912 1.00 85.01 ? 124 ARG A CA 1 ATOM 941 C C . ARG A 1 126 ? -10.586 -41.770 10.009 1.00 83.69 ? 124 ARG A C 1 ATOM 942 O O . ARG A 1 126 ? -11.339 -40.800 9.970 1.00 84.08 ? 124 ARG A O 1 ATOM 943 C CB . ARG A 1 126 ? -11.993 -43.458 8.851 1.00 88.98 ? 124 ARG A CB 1 ATOM 944 C CG . ARG A 1 126 ? -12.180 -44.396 7.667 1.00 92.67 ? 124 ARG A CG 1 ATOM 945 C CD . ARG A 1 126 ? -12.338 -43.630 6.365 1.00 93.25 ? 124 ARG A CD 1 ATOM 946 N NE . ARG A 1 126 ? -12.473 -44.526 5.222 1.00 96.32 ? 124 ARG A NE 1 ATOM 947 C CZ . ARG A 1 126 ? -12.661 -44.113 3.973 1.00 98.72 ? 124 ARG A CZ 1 ATOM 948 N NH1 . ARG A 1 126 ? -12.741 -42.815 3.709 1.00 99.44 ? 124 ARG A NH1 1 ATOM 949 N NH2 . ARG A 1 126 ? -12.774 -44.996 2.990 1.00 99.91 ? 124 ARG A NH2 1 ATOM 950 N N . ASP A 1 127 ? -9.719 -41.982 10.986 1.00 82.16 ? 125 ASP A N 1 ATOM 951 C CA . ASP A 1 127 ? -9.610 -41.054 12.116 1.00 81.79 ? 125 ASP A CA 1 ATOM 952 C C . ASP A 1 127 ? -8.161 -40.763 12.478 1.00 78.53 ? 125 ASP A C 1 ATOM 953 O O . ASP A 1 127 ? -7.486 -41.555 13.132 1.00 79.26 ? 125 ASP A O 1 ATOM 954 C CB . ASP A 1 127 ? -10.369 -41.609 13.322 1.00 86.11 ? 125 ASP A CB 1 ATOM 955 C CG . ASP A 1 127 ? -11.369 -40.618 13.884 1.00 89.52 ? 125 ASP A CG 1 ATOM 956 O OD1 . ASP A 1 127 ? -11.066 -39.405 13.877 1.00 91.52 ? 125 ASP A OD1 1 ATOM 957 O OD2 . ASP A 1 127 ? -12.459 -41.050 14.322 1.00 90.55 ? 125 ASP A OD2 1 ATOM 958 N N . LEU A 1 128 ? -7.699 -39.604 12.039 1.00 75.11 ? 126 LEU A N 1 ATOM 959 C CA . LEU A 1 128 ? -6.288 -39.252 12.153 1.00 73.06 ? 126 LEU A CA 1 ATOM 960 C C . LEU A 1 128 ? -6.044 -38.315 13.312 1.00 74.11 ? 126 LEU A C 1 ATOM 961 O O . LEU A 1 128 ? -6.801 -37.380 13.545 1.00 75.34 ? 126 LEU A O 1 ATOM 962 C CB . LEU A 1 128 ? -5.783 -38.632 10.843 1.00 70.39 ? 126 LEU A CB 1 ATOM 963 C CG . LEU A 1 128 ? -4.266 -38.654 10.645 1.00 68.10 ? 126 LEU A CG 1 ATOM 964 C CD1 . LEU A 1 128 ? -3.763 -40.080 10.601 1.00 63.98 ? 126 LEU A CD1 1 ATOM 965 C CD2 . LEU A 1 128 ? -3.882 -37.907 9.379 1.00 66.81 ? 126 LEU A CD2 1 ATOM 966 N N . ARG A 1 129 ? -4.962 -38.591 14.023 1.00 74.48 ? 127 ARG A N 1 ATOM 967 C CA . ARG A 1 129 ? -4.603 -37.859 15.231 1.00 76.29 ? 127 ARG A CA 1 ATOM 968 C C . ARG A 1 129 ? -3.208 -37.269 15.151 1.00 75.50 ? 127 ARG A C 1 ATOM 969 O O . ARG A 1 129 ? -2.218 -37.950 15.394 1.00 75.53 ? 127 ARG A O 1 ATOM 970 C CB . ARG A 1 129 ? -4.698 -38.797 16.430 1.00 79.31 ? 127 ARG A CB 1 ATOM 971 C CG . ARG A 1 129 ? -4.345 -38.171 17.767 1.00 83.13 ? 127 ARG A CG 1 ATOM 972 C CD . ARG A 1 129 ? -4.624 -39.153 18.888 1.00 86.56 ? 127 ARG A CD 1 ATOM 973 N NE . ARG A 1 129 ? -3.832 -40.374 18.752 1.00 87.40 ? 127 ARG A NE 1 ATOM 974 C CZ . ARG A 1 129 ? -4.106 -41.524 19.362 1.00 92.46 ? 127 ARG A CZ 1 ATOM 975 N NH1 . ARG A 1 129 ? -5.168 -41.631 20.147 1.00 94.43 ? 127 ARG A NH1 1 ATOM 976 N NH2 . ARG A 1 129 ? -3.319 -42.576 19.176 1.00 95.11 ? 127 ARG A NH2 1 ATOM 977 N N . VAL A 1 130 ? -3.153 -35.983 14.831 1.00 75.64 ? 128 VAL A N 1 ATOM 978 C CA . VAL A 1 130 ? -1.889 -35.258 14.711 1.00 76.69 ? 128 VAL A CA 1 ATOM 979 C C . VAL A 1 130 ? -1.595 -34.459 15.967 1.00 80.15 ? 128 VAL A C 1 ATOM 980 O O . VAL A 1 130 ? -2.490 -34.066 16.714 1.00 81.65 ? 128 VAL A O 1 ATOM 981 C CB . VAL A 1 130 ? -1.884 -34.291 13.503 1.00 75.16 ? 128 VAL A CB 1 ATOM 982 C CG1 . VAL A 1 130 ? -0.459 -33.862 13.171 1.00 74.91 ? 128 VAL A CG1 1 ATOM 983 C CG2 . VAL A 1 130 ? -2.521 -34.946 12.288 1.00 75.64 ? 128 VAL A CG2 1 ATOM 984 N N . ARG A 1 131 ? -0.311 -34.225 16.174 1.00 81.80 ? 129 ARG A N 1 ATOM 985 C CA . ARG A 1 131 ? 0.174 -33.462 17.315 1.00 85.54 ? 129 ARG A CA 1 ATOM 986 C C . ARG A 1 131 ? 0.676 -32.110 16.826 1.00 85.54 ? 129 ARG A C 1 ATOM 987 O O . ARG A 1 131 ? 1.440 -32.020 15.866 1.00 84.74 ? 129 ARG A O 1 ATOM 988 C CB . ARG A 1 131 ? 1.264 -34.255 18.049 1.00 88.08 ? 129 ARG A CB 1 ATOM 989 C CG . ARG A 1 131 ? 2.300 -33.437 18.790 1.00 93.93 ? 129 ARG A CG 1 ATOM 990 C CD . ARG A 1 131 ? 3.191 -34.366 19.619 1.00 99.85 ? 129 ARG A CD 1 ATOM 991 N NE . ARG A 1 131 ? 4.503 -33.795 19.912 1.00 105.52 ? 129 ARG A NE 1 ATOM 992 C CZ . ARG A 1 131 ? 5.413 -34.379 20.687 1.00 109.98 ? 129 ARG A CZ 1 ATOM 993 N NH1 . ARG A 1 131 ? 5.156 -35.551 21.253 1.00 110.54 ? 129 ARG A NH1 1 ATOM 994 N NH2 . ARG A 1 131 ? 6.581 -33.787 20.899 1.00 113.88 ? 129 ARG A NH2 1 ATOM 995 N N . VAL A 1 132 ? 0.213 -31.063 17.488 1.00 87.44 ? 130 VAL A N 1 ATOM 996 C CA . VAL A 1 132 ? 0.471 -29.687 17.050 1.00 87.88 ? 130 VAL A CA 1 ATOM 997 C C . VAL A 1 132 ? 1.948 -29.463 16.797 1.00 88.60 ? 130 VAL A C 1 ATOM 998 O O . VAL A 1 132 ? 2.803 -29.849 17.594 1.00 90.51 ? 130 VAL A O 1 ATOM 999 C CB . VAL A 1 132 ? -0.028 -28.637 18.081 1.00 91.30 ? 130 VAL A CB 1 ATOM 1000 C CG1 . VAL A 1 132 ? 0.266 -27.226 17.597 1.00 92.78 ? 130 VAL A CG1 1 ATOM 1001 C CG2 . VAL A 1 132 ? -1.518 -28.804 18.344 1.00 90.00 ? 130 VAL A CG2 1 ATOM 1002 N N . GLY A 1 133 ? 2.226 -28.836 15.664 1.00 87.59 ? 131 GLY A N 1 ATOM 1003 C CA . GLY A 1 133 ? 3.586 -28.451 15.298 1.00 89.45 ? 131 GLY A CA 1 ATOM 1004 C C . GLY A 1 133 ? 4.347 -29.587 14.659 1.00 87.57 ? 131 GLY A C 1 ATOM 1005 O O . GLY A 1 133 ? 5.575 -29.573 14.584 1.00 89.21 ? 131 GLY A O 1 ATOM 1006 N N . ASP A 1 134 ? 3.596 -30.579 14.206 1.00 84.68 ? 132 ASP A N 1 ATOM 1007 C CA . ASP A 1 134 ? 4.171 -31.714 13.496 1.00 83.16 ? 132 ASP A CA 1 ATOM 1008 C C . ASP A 1 134 ? 3.538 -31.922 12.141 1.00 79.31 ? 132 ASP A C 1 ATOM 1009 O O . ASP A 1 134 ? 2.541 -31.297 11.780 1.00 78.20 ? 132 ASP A O 1 ATOM 1010 C CB . ASP A 1 134 ? 4.052 -32.993 14.325 1.00 83.80 ? 132 ASP A CB 1 ATOM 1011 C CG . ASP A 1 134 ? 5.130 -33.099 15.385 1.00 89.52 ? 132 ASP A CG 1 ATOM 1012 O OD1 . ASP A 1 134 ? 5.970 -32.173 15.471 1.00 93.42 ? 132 ASP A OD1 1 ATOM 1013 O OD2 . ASP A 1 134 ? 5.139 -34.108 16.127 1.00 91.24 ? 132 ASP A OD2 1 ATOM 1014 N N . THR A 1 135 ? 4.159 -32.821 11.399 1.00 77.52 ? 133 THR A N 1 ATOM 1015 C CA . THR A 1 135 ? 3.698 -33.187 10.072 1.00 74.20 ? 133 THR A CA 1 ATOM 1016 C C . THR A 1 135 ? 2.901 -34.476 10.127 1.00 71.61 ? 133 THR A C 1 ATOM 1017 O O . THR A 1 135 ? 3.245 -35.418 10.835 1.00 72.95 ? 133 THR A O 1 ATOM 1018 C CB . THR A 1 135 ? 4.872 -33.382 9.087 1.00 74.32 ? 133 THR A CB 1 ATOM 1019 O OG1 . THR A 1 135 ? 5.645 -32.180 8.994 1.00 76.31 ? 133 THR A OG1 1 ATOM 1020 C CG2 . THR A 1 135 ? 4.344 -33.736 7.709 1.00 73.03 ? 133 THR A CG2 1 ATOM 1021 N N . THR A 1 136 ? 1.817 -34.488 9.374 1.00 68.43 ? 134 THR A N 1 ATOM 1022 C CA . THR A 1 136 ? 1.039 -35.699 9.166 1.00 66.45 ? 134 THR A CA 1 ATOM 1023 C C . THR A 1 136 ? 0.755 -35.887 7.695 1.00 63.99 ? 134 THR A C 1 ATOM 1024 O O . THR A 1 136 ? 0.976 -34.998 6.875 1.00 63.77 ? 134 THR A O 1 ATOM 1025 C CB . THR A 1 136 ? -0.297 -35.682 9.935 1.00 66.99 ? 134 THR A CB 1 ATOM 1026 O OG1 . THR A 1 136 ? -0.949 -36.949 9.787 1.00 66.04 ? 134 THR A OG1 1 ATOM 1027 C CG2 . THR A 1 136 ? -1.219 -34.589 9.415 1.00 66.55 ? 134 THR A CG2 1 ATOM 1028 N N . GLN A 1 137 ? 0.267 -37.073 7.381 1.00 62.74 ? 135 GLN A N 1 ATOM 1029 C CA . GLN A 1 137 ? -0.099 -37.422 6.021 1.00 60.34 ? 135 GLN A CA 1 ATOM 1030 C C . GLN A 1 137 ? -1.554 -37.814 5.945 1.00 59.84 ? 135 GLN A C 1 ATOM 1031 O O . GLN A 1 137 ? -2.066 -38.554 6.778 1.00 60.72 ? 135 GLN A O 1 ATOM 1032 C CB . GLN A 1 137 ? 0.765 -38.576 5.523 1.00 60.29 ? 135 GLN A CB 1 ATOM 1033 C CG . GLN A 1 137 ? 0.386 -39.078 4.138 1.00 58.25 ? 135 GLN A CG 1 ATOM 1034 C CD . GLN A 1 137 ? 1.312 -40.165 3.651 1.00 58.13 ? 135 GLN A CD 1 ATOM 1035 O OE1 . GLN A 1 137 ? 1.871 -40.078 2.556 1.00 57.87 ? 135 GLN A OE1 1 ATOM 1036 N NE2 . GLN A 1 137 ? 1.491 -41.195 4.468 1.00 60.11 ? 135 GLN A NE2 1 ATOM 1037 N N . MET A 1 138 ? -2.213 -37.297 4.927 1.00 59.33 ? 136 MET A N 1 ATOM 1038 C CA . MET A 1 138 ? -3.583 -37.680 4.628 1.00 60.25 ? 136 MET A CA 1 ATOM 1039 C C . MET A 1 138 ? -3.607 -38.322 3.257 1.00 58.94 ? 136 MET A C 1 ATOM 1040 O O . MET A 1 138 ? -3.436 -37.652 2.238 1.00 58.28 ? 136 MET A O 1 ATOM 1041 C CB . MET A 1 138 ? -4.497 -36.463 4.674 1.00 61.48 ? 136 MET A CB 1 ATOM 1042 C CG . MET A 1 138 ? -4.625 -35.863 6.061 1.00 65.90 ? 136 MET A CG 1 ATOM 1043 S SD . MET A 1 138 ? -5.626 -34.366 6.074 1.00 74.12 ? 136 MET A SD 1 ATOM 1044 C CE . MET A 1 138 ? -4.515 -33.248 5.226 1.00 74.95 ? 136 MET A CE 1 ATOM 1045 N N . ARG A 1 139 ? -3.812 -39.632 3.251 1.00 59.02 ? 137 ARG A N 1 ATOM 1046 C CA . ARG A 1 139 ? -3.701 -40.419 2.030 1.00 57.69 ? 137 ARG A CA 1 ATOM 1047 C C . ARG A 1 139 ? -5.039 -40.643 1.356 1.00 57.37 ? 137 ARG A C 1 ATOM 1048 O O . ARG A 1 139 ? -6.070 -40.855 1.990 1.00 57.68 ? 137 ARG A O 1 ATOM 1049 C CB . ARG A 1 139 ? -2.984 -41.751 2.282 1.00 58.29 ? 137 ARG A CB 1 ATOM 1050 C CG . ARG A 1 139 ? -3.724 -42.741 3.132 1.00 62.78 ? 137 ARG A CG 1 ATOM 1051 C CD . ARG A 1 139 ? -3.274 -44.148 2.825 1.00 68.82 ? 137 ARG A CD 1 ATOM 1052 N NE . ARG A 1 139 ? -3.678 -45.069 3.880 1.00 76.58 ? 137 ARG A NE 1 ATOM 1053 C CZ . ARG A 1 139 ? -2.984 -45.274 4.993 1.00 81.39 ? 137 ARG A CZ 1 ATOM 1054 N NH1 . ARG A 1 139 ? -1.842 -44.627 5.198 1.00 80.90 ? 137 ARG A NH1 1 ATOM 1055 N NH2 . ARG A 1 139 ? -3.433 -46.131 5.899 1.00 85.73 ? 137 ARG A NH2 1 ATOM 1056 N N . CYS A 1 140 ? -4.973 -40.577 0.037 1.00 57.05 ? 138 CYS A N 1 ATOM 1057 C CA . CYS A 1 140 ? -6.128 -40.746 -0.834 1.00 57.27 ? 138 CYS A CA 1 ATOM 1058 C C . CYS A 1 140 ? -5.662 -41.208 -2.203 1.00 56.09 ? 138 CYS A C 1 ATOM 1059 O O . CYS A 1 140 ? -4.896 -40.520 -2.870 1.00 56.51 ? 138 CYS A O 1 ATOM 1060 C CB . CYS A 1 140 ? -6.873 -39.415 -0.948 1.00 57.45 ? 138 CYS A CB 1 ATOM 1061 S SG . CYS A 1 140 ? -8.124 -39.357 -2.233 1.00 58.07 ? 138 CYS A SG 1 ATOM 1062 N N . SER A 1 141 ? -6.110 -42.387 -2.602 1.00 56.10 ? 139 SER A N 1 ATOM 1063 C CA . SER A 1 141 ? -5.678 -42.967 -3.875 1.00 55.39 ? 139 SER A CA 1 ATOM 1064 C C . SER A 1 141 ? -6.515 -44.140 -4.334 1.00 56.57 ? 139 SER A C 1 ATOM 1065 O O . SER A 1 141 ? -6.949 -44.971 -3.529 1.00 59.22 ? 139 SER A O 1 ATOM 1066 C CB . SER A 1 141 ? -4.230 -43.438 -3.754 1.00 55.32 ? 139 SER A CB 1 ATOM 1067 O OG . SER A 1 141 ? -4.134 -44.504 -2.825 1.00 57.68 ? 139 SER A OG 1 ATOM 1068 N N . ILE A 1 142 ? -6.718 -44.202 -5.643 1.00 55.71 ? 140 ILE A N 1 ATOM 1069 C CA . ILE A 1 142 ? -7.315 -45.384 -6.264 1.00 57.28 ? 140 ILE A CA 1 ATOM 1070 C C . ILE A 1 142 ? -6.179 -46.236 -6.802 1.00 56.72 ? 140 ILE A C 1 ATOM 1071 O O . ILE A 1 142 ? -5.096 -45.742 -7.081 1.00 55.20 ? 140 ILE A O 1 ATOM 1072 C CB . ILE A 1 142 ? -8.348 -45.054 -7.376 1.00 57.52 ? 140 ILE A CB 1 ATOM 1073 C CG1 . ILE A 1 142 ? -7.738 -45.200 -8.759 1.00 59.07 ? 140 ILE A CG1 1 ATOM 1074 C CG2 . ILE A 1 142 ? -8.929 -43.662 -7.208 1.00 56.77 ? 140 ILE A CG2 1 ATOM 1075 C CD1 . ILE A 1 142 ? -8.772 -45.119 -9.844 1.00 65.89 ? 140 ILE A CD1 1 ATOM 1076 N N . GLN A 1 143 ? -6.430 -47.529 -6.905 1.00 58.79 ? 141 GLN A N 1 ATOM 1077 C CA . GLN A 1 143 ? -5.396 -48.480 -7.270 1.00 59.88 ? 141 GLN A CA 1 ATOM 1078 C C . GLN A 1 143 ? -5.760 -49.197 -8.544 1.00 61.48 ? 141 GLN A C 1 ATOM 1079 O O . GLN A 1 143 ? -6.848 -49.756 -8.672 1.00 63.46 ? 141 GLN A O 1 ATOM 1080 C CB . GLN A 1 143 ? -5.195 -49.497 -6.147 1.00 62.02 ? 141 GLN A CB 1 ATOM 1081 C CG . GLN A 1 143 ? -4.814 -48.871 -4.815 1.00 61.12 ? 141 GLN A CG 1 ATOM 1082 C CD . GLN A 1 143 ? -4.745 -49.887 -3.709 1.00 63.63 ? 141 GLN A CD 1 ATOM 1083 O OE1 . GLN A 1 143 ? -4.395 -51.037 -3.944 1.00 66.21 ? 141 GLN A OE1 1 ATOM 1084 N NE2 . GLN A 1 143 ? -5.070 -49.469 -2.492 1.00 65.57 ? 141 GLN A NE2 1 ATOM 1085 N N . SER A 1 144 ? -4.827 -49.182 -9.484 1.00 61.43 ? 142 SER A N 1 ATOM 1086 C CA . SER A 1 144 ? -5.069 -49.757 -10.801 1.00 62.94 ? 142 SER A CA 1 ATOM 1087 C C . SER A 1 144 ? -3.858 -50.411 -11.432 1.00 63.78 ? 142 SER A C 1 ATOM 1088 O O . SER A 1 144 ? -2.721 -49.996 -11.229 1.00 64.30 ? 142 SER A O 1 ATOM 1089 C CB . SER A 1 144 ? -5.602 -48.677 -11.738 1.00 61.71 ? 142 SER A CB 1 ATOM 1090 O OG . SER A 1 144 ? -4.645 -47.657 -11.933 1.00 60.53 ? 142 SER A OG 1 ATOM 1091 N N . THR A 1 145 ? -4.138 -51.437 -12.219 1.00 65.27 ? 143 THR A N 1 ATOM 1092 C CA . THR A 1 145 ? -3.108 -52.118 -13.000 1.00 65.81 ? 143 THR A CA 1 ATOM 1093 C C . THR A 1 145 ? -2.631 -51.181 -14.104 1.00 64.38 ? 143 THR A C 1 ATOM 1094 O O . THR A 1 145 ? -1.602 -51.406 -14.736 1.00 65.22 ? 143 THR A O 1 ATOM 1095 C CB . THR A 1 145 ? -3.631 -53.425 -13.625 1.00 68.76 ? 143 THR A CB 1 ATOM 1096 O OG1 . THR A 1 145 ? -4.752 -53.138 -14.469 1.00 68.06 ? 143 THR A OG1 1 ATOM 1097 C CG2 . THR A 1 145 ? -4.054 -54.411 -12.546 1.00 69.26 ? 143 THR A CG2 1 ATOM 1098 N N . GLU A 1 146 ? -3.397 -50.117 -14.302 1.00 63.09 ? 144 GLU A N 1 ATOM 1099 C CA . GLU A 1 146 ? -3.143 -49.124 -15.353 1.00 62.46 ? 144 GLU A CA 1 ATOM 1100 C C . GLU A 1 146 ? -2.885 -47.740 -14.778 1.00 59.94 ? 144 GLU A C 1 ATOM 1101 O O . GLU A 1 146 ? -3.680 -47.208 -14.008 1.00 59.28 ? 144 GLU A O 1 ATOM 1102 C CB . GLU A 1 146 ? -4.327 -49.061 -16.325 1.00 63.51 ? 144 GLU A CB 1 ATOM 1103 C CG . GLU A 1 146 ? -4.290 -50.100 -17.427 1.00 68.71 ? 144 GLU A CG 1 ATOM 1104 C CD . GLU A 1 146 ? -3.206 -49.811 -18.453 1.00 76.63 ? 144 GLU A CD 1 ATOM 1105 O OE1 . GLU A 1 146 ? -3.104 -48.639 -18.899 1.00 78.87 ? 144 GLU A OE1 1 ATOM 1106 O OE2 . GLU A 1 146 ? -2.466 -50.754 -18.819 1.00 81.37 ? 144 GLU A OE2 1 ATOM 1107 N N . GLU A 1 147 ? -1.771 -47.158 -15.193 1.00 59.17 ? 145 GLU A N 1 ATOM 1108 C CA . GLU A 1 147 ? -1.338 -45.850 -14.682 1.00 57.83 ? 145 GLU A CA 1 ATOM 1109 C C . GLU A 1 147 ? -1.906 -44.689 -15.475 1.00 56.46 ? 145 GLU A C 1 ATOM 1110 O O . GLU A 1 147 ? -2.431 -44.845 -16.578 1.00 56.45 ? 145 GLU A O 1 ATOM 1111 C CB . GLU A 1 147 ? 0.191 -45.749 -14.633 1.00 58.64 ? 145 GLU A CB 1 ATOM 1112 C CG . GLU A 1 147 ? 0.880 -45.856 -15.981 1.00 64.06 ? 145 GLU A CG 1 ATOM 1113 C CD . GLU A 1 147 ? 2.337 -46.291 -15.871 1.00 73.36 ? 145 GLU A CD 1 ATOM 1114 O OE1 . GLU A 1 147 ? 2.912 -46.189 -14.761 1.00 74.60 ? 145 GLU A OE1 1 ATOM 1115 O OE2 . GLU A 1 147 ? 2.906 -46.737 -16.898 1.00 78.64 ? 145 GLU A OE2 1 ATOM 1116 N N . LYS A 1 148 ? -1.792 -43.521 -14.858 1.00 54.69 ? 146 LYS A N 1 ATOM 1117 C CA . LYS A 1 148 ? -2.239 -42.257 -15.437 1.00 54.09 ? 146 LYS A CA 1 ATOM 1118 C C . LYS A 1 148 ? -3.705 -42.280 -15.821 1.00 54.19 ? 146 LYS A C 1 ATOM 1119 O O . LYS A 1 148 ? -4.085 -41.837 -16.901 1.00 55.93 ? 146 LYS A O 1 ATOM 1120 C CB . LYS A 1 148 ? -1.410 -41.904 -16.672 1.00 54.82 ? 146 LYS A CB 1 ATOM 1121 C CG . LYS A 1 148 ? 0.079 -41.809 -16.413 1.00 56.77 ? 146 LYS A CG 1 ATOM 1122 C CD . LYS A 1 148 ? 0.795 -41.273 -17.635 1.00 58.66 ? 146 LYS A CD 1 ATOM 1123 C CE . LYS A 1 148 ? 2.283 -41.163 -17.417 1.00 60.09 ? 146 LYS A CE 1 ATOM 1124 N NZ . LYS A 1 148 ? 2.953 -40.770 -18.681 1.00 64.45 ? 146 LYS A NZ 1 ATOM 1125 N N . ARG A 1 149 ? -4.527 -42.803 -14.927 1.00 53.35 ? 147 ARG A N 1 ATOM 1126 C CA . ARG A 1 149 ? -5.967 -42.851 -15.161 1.00 53.86 ? 147 ARG A CA 1 ATOM 1127 C C . ARG A 1 149 ? -6.693 -41.777 -14.366 1.00 53.65 ? 147 ARG A C 1 ATOM 1128 O O . ARG A 1 149 ? -7.813 -41.393 -14.699 1.00 54.90 ? 147 ARG A O 1 ATOM 1129 C CB . ARG A 1 149 ? -6.520 -44.239 -14.833 1.00 54.85 ? 147 ARG A CB 1 ATOM 1130 C CG . ARG A 1 149 ? -6.122 -45.313 -15.843 1.00 55.92 ? 147 ARG A CG 1 ATOM 1131 C CD . ARG A 1 149 ? -6.684 -45.023 -17.230 1.00 59.43 ? 147 ARG A CD 1 ATOM 1132 N NE . ARG A 1 149 ? -6.089 -45.881 -18.251 1.00 63.62 ? 147 ARG A NE 1 ATOM 1133 C CZ . ARG A 1 149 ? -6.745 -46.810 -18.941 1.00 66.26 ? 147 ARG A CZ 1 ATOM 1134 N NH1 . ARG A 1 149 ? -8.041 -47.011 -18.745 1.00 67.97 ? 147 ARG A NH1 1 ATOM 1135 N NH2 . ARG A 1 149 ? -6.101 -47.534 -19.845 1.00 68.03 ? 147 ARG A NH2 1 ATOM 1136 N N . VAL A 1 150 ? -6.030 -41.290 -13.324 1.00 52.58 ? 148 VAL A N 1 ATOM 1137 C CA . VAL A 1 150 ? -6.596 -40.252 -12.449 1.00 52.10 ? 148 VAL A CA 1 ATOM 1138 C C . VAL A 1 150 ? -6.414 -38.884 -13.076 1.00 53.02 ? 148 VAL A C 1 ATOM 1139 O O . VAL A 1 150 ? -5.296 -38.447 -13.350 1.00 52.01 ? 148 VAL A O 1 ATOM 1140 C CB . VAL A 1 150 ? -5.960 -40.249 -11.047 1.00 51.06 ? 148 VAL A CB 1 ATOM 1141 C CG1 . VAL A 1 150 ? -6.351 -38.980 -10.289 1.00 48.54 ? 148 VAL A CG1 1 ATOM 1142 C CG2 . VAL A 1 150 ? -6.363 -41.505 -10.279 1.00 49.11 ? 148 VAL A CG2 1 ATOM 1143 N N . THR A 1 151 ? -7.538 -38.214 -13.277 1.00 55.29 ? 149 THR A N 1 ATOM 1144 C CA . THR A 1 151 ? -7.588 -37.007 -14.093 1.00 57.48 ? 149 THR A CA 1 ATOM 1145 C C . THR A 1 151 ? -7.658 -35.748 -13.247 1.00 59.35 ? 149 THR A C 1 ATOM 1146 O O . THR A 1 151 ? -7.485 -34.635 -13.745 1.00 61.87 ? 149 THR A O 1 ATOM 1147 C CB . THR A 1 151 ? -8.817 -37.031 -15.014 1.00 59.48 ? 149 THR A CB 1 ATOM 1148 O OG1 . THR A 1 151 ? -10.006 -37.014 -14.214 1.00 61.99 ? 149 THR A OG1 1 ATOM 1149 C CG2 . THR A 1 151 ? -8.815 -38.280 -15.869 1.00 57.84 ? 149 THR A CG2 1 ATOM 1150 N N . LYS A 1 152 ? -7.916 -35.936 -11.962 1.00 59.15 ? 150 LYS A N 1 ATOM 1151 C CA . LYS A 1 152 ? -8.089 -34.805 -11.049 1.00 60.47 ? 150 LYS A CA 1 ATOM 1152 C C . LYS A 1 152 ? -8.161 -35.201 -9.578 1.00 59.42 ? 150 LYS A C 1 ATOM 1153 O O . LYS A 1 152 ? -8.774 -36.207 -9.203 1.00 58.28 ? 150 LYS A O 1 ATOM 1154 C CB . LYS A 1 152 ? -9.347 -34.016 -11.446 1.00 64.11 ? 150 LYS A CB 1 ATOM 1155 C CG . LYS A 1 152 ? -9.721 -32.876 -10.507 1.00 67.19 ? 150 LYS A CG 1 ATOM 1156 C CD . LYS A 1 152 ? -10.876 -32.059 -11.065 1.00 72.82 ? 150 LYS A CD 1 ATOM 1157 C CE . LYS A 1 152 ? -11.363 -31.014 -10.062 1.00 77.36 ? 150 LYS A CE 1 ATOM 1158 N NZ . LYS A 1 152 ? -12.620 -30.334 -10.506 1.00 81.41 ? 150 LYS A NZ 1 ATOM 1159 N N . VAL A 1 153 ? -7.518 -34.377 -8.762 1.00 59.22 ? 151 VAL A N 1 ATOM 1160 C CA . VAL A 1 153 ? -7.540 -34.532 -7.307 1.00 59.04 ? 151 VAL A CA 1 ATOM 1161 C C . VAL A 1 153 ? -7.700 -33.205 -6.589 1.00 61.39 ? 151 VAL A C 1 ATOM 1162 O O . VAL A 1 153 ? -6.918 -32.280 -6.793 1.00 61.38 ? 151 VAL A O 1 ATOM 1163 C CB . VAL A 1 153 ? -6.230 -35.165 -6.809 1.00 56.27 ? 151 VAL A CB 1 ATOM 1164 C CG1 . VAL A 1 153 ? -6.189 -35.216 -5.293 1.00 55.12 ? 151 VAL A CG1 1 ATOM 1165 C CG2 . VAL A 1 153 ? -6.078 -36.542 -7.388 1.00 57.37 ? 151 VAL A CG2 1 ATOM 1166 N N . ASN A 1 154 ? -8.706 -33.122 -5.731 1.00 63.59 ? 152 ASN A N 1 ATOM 1167 C CA . ASN A 1 154 ? -8.800 -31.978 -4.828 1.00 67.34 ? 152 ASN A CA 1 ATOM 1168 C C . ASN A 1 154 ? -9.212 -32.331 -3.410 1.00 67.60 ? 152 ASN A C 1 ATOM 1169 O O . ASN A 1 154 ? -10.113 -33.137 -3.172 1.00 68.29 ? 152 ASN A O 1 ATOM 1170 C CB . ASN A 1 154 ? -9.677 -30.847 -5.406 1.00 71.65 ? 152 ASN A CB 1 ATOM 1171 C CG . ASN A 1 154 ? -11.142 -31.221 -5.522 1.00 76.79 ? 152 ASN A CG 1 ATOM 1172 O OD1 . ASN A 1 154 ? -11.576 -31.795 -6.524 1.00 83.91 ? 152 ASN A OD1 1 ATOM 1173 N ND2 . ASN A 1 154 ? -11.922 -30.860 -4.511 1.00 80.66 ? 152 ASN A ND2 1 ATOM 1174 N N . TRP A 1 155 ? -8.502 -31.712 -2.476 1.00 67.68 ? 153 TRP A N 1 ATOM 1175 C CA . TRP A 1 155 ? -8.734 -31.903 -1.050 1.00 68.22 ? 153 TRP A CA 1 ATOM 1176 C C . TRP A 1 155 ? -9.480 -30.714 -0.484 1.00 72.13 ? 153 TRP A C 1 ATOM 1177 O O . TRP A 1 155 ? -9.044 -29.568 -0.610 1.00 73.46 ? 153 TRP A O 1 ATOM 1178 C CB . TRP A 1 155 ? -7.414 -32.063 -0.295 1.00 66.18 ? 153 TRP A CB 1 ATOM 1179 C CG . TRP A 1 155 ? -6.798 -33.406 -0.411 1.00 62.83 ? 153 TRP A CG 1 ATOM 1180 C CD1 . TRP A 1 155 ? -5.937 -33.833 -1.379 1.00 59.64 ? 153 TRP A CD1 1 ATOM 1181 C CD2 . TRP A 1 155 ? -6.977 -34.509 0.483 1.00 60.88 ? 153 TRP A CD2 1 ATOM 1182 N NE1 . TRP A 1 155 ? -5.573 -35.135 -1.144 1.00 55.96 ? 153 TRP A NE1 1 ATOM 1183 C CE2 . TRP A 1 155 ? -6.198 -35.572 -0.006 1.00 56.62 ? 153 TRP A CE2 1 ATOM 1184 C CE3 . TRP A 1 155 ? -7.722 -34.700 1.647 1.00 63.86 ? 153 TRP A CE3 1 ATOM 1185 C CZ2 . TRP A 1 155 ? -6.139 -36.806 0.631 1.00 56.47 ? 153 TRP A CZ2 1 ATOM 1186 C CZ3 . TRP A 1 155 ? -7.665 -35.931 2.275 1.00 63.91 ? 153 TRP A CZ3 1 ATOM 1187 C CH2 . TRP A 1 155 ? -6.877 -36.967 1.766 1.00 59.26 ? 153 TRP A CH2 1 ATOM 1188 N N . MET A 1 156 ? -10.605 -31.004 0.151 1.00 74.47 ? 154 MET A N 1 ATOM 1189 C CA . MET A 1 156 ? -11.428 -29.965 0.753 1.00 79.56 ? 154 MET A CA 1 ATOM 1190 C C . MET A 1 156 ? -11.486 -30.110 2.262 1.00 80.03 ? 154 MET A C 1 ATOM 1191 O O . MET A 1 156 ? -11.722 -31.190 2.795 1.00 79.54 ? 154 MET A O 1 ATOM 1192 C CB . MET A 1 156 ? -12.833 -29.978 0.151 1.00 83.02 ? 154 MET A CB 1 ATOM 1193 C CG . MET A 1 156 ? -12.848 -29.679 -1.343 1.00 86.24 ? 154 MET A CG 1 ATOM 1194 S SD . MET A 1 156 ? -14.379 -28.899 -1.896 1.00 99.45 ? 154 MET A SD 1 ATOM 1195 C CE . MET A 1 156 ? -15.591 -29.827 -0.947 1.00 101.17 ? 154 MET A CE 1 ATOM 1196 N N . PHE A 1 157 ? -11.262 -28.988 2.932 1.00 82.00 ? 155 PHE A N 1 ATOM 1197 C CA . PHE A 1 157 ? -11.257 -28.919 4.391 1.00 82.72 ? 155 PHE A CA 1 ATOM 1198 C C . PHE A 1 157 ? -12.509 -28.236 4.900 1.00 87.87 ? 155 PHE A C 1 ATOM 1199 O O . PHE A 1 157 ? -12.994 -27.259 4.324 1.00 90.54 ? 155 PHE A O 1 ATOM 1200 C CB . PHE A 1 157 ? -10.009 -28.179 4.892 1.00 81.72 ? 155 PHE A CB 1 ATOM 1201 C CG . PHE A 1 157 ? -10.066 -27.801 6.343 1.00 81.51 ? 155 PHE A CG 1 ATOM 1202 C CD1 . PHE A 1 157 ? -10.160 -28.774 7.322 1.00 80.32 ? 155 PHE A CD1 1 ATOM 1203 C CD2 . PHE A 1 157 ? -10.017 -26.473 6.729 1.00 83.31 ? 155 PHE A CD2 1 ATOM 1204 C CE1 . PHE A 1 157 ? -10.205 -28.429 8.665 1.00 82.12 ? 155 PHE A CE1 1 ATOM 1205 C CE2 . PHE A 1 157 ? -10.062 -26.123 8.066 1.00 86.18 ? 155 PHE A CE2 1 ATOM 1206 C CZ . PHE A 1 157 ? -10.158 -27.102 9.035 1.00 84.84 ? 155 PHE A CZ 1 ATOM 1207 N N . SER A 1 158 ? -13.031 -28.779 5.990 1.00 89.87 ? 156 SER A N 1 ATOM 1208 C CA . SER A 1 158 ? -14.241 -28.240 6.611 1.00 95.15 ? 156 SER A CA 1 ATOM 1209 C C . SER A 1 158 ? -14.420 -28.671 8.052 1.00 97.23 ? 156 SER A C 1 ATOM 1210 O O . SER A 1 158 ? -14.825 -29.795 8.333 1.00 96.44 ? 156 SER A O 1 ATOM 1211 C CB . SER A 1 158 ? -15.475 -28.652 5.806 1.00 96.47 ? 156 SER A CB 1 ATOM 1212 O OG . SER A 1 158 ? -16.664 -28.284 6.480 1.00 101.77 ? 156 SER A OG 1 ATOM 1213 N N . SER A 1 159 ? -14.119 -27.756 8.959 1.00 101.27 ? 157 SER A N 1 ATOM 1214 C CA . SER A 1 159 ? -14.377 -27.981 10.383 1.00 104.96 ? 157 SER A CA 1 ATOM 1215 C C . SER A 1 159 ? -15.875 -28.136 10.595 1.00 110.58 ? 157 SER A C 1 ATOM 1216 O O . SER A 1 159 ? -16.683 -27.429 9.992 1.00 113.24 ? 157 SER A O 1 ATOM 1217 C CB . SER A 1 159 ? -13.833 -26.834 11.243 1.00 107.11 ? 157 SER A CB 1 ATOM 1218 O OG . SER A 1 159 ? -14.431 -25.606 10.882 1.00 109.70 ? 157 SER A OG 1 ATOM 1219 N N . GLY A 1 160 ? -16.229 -29.083 11.455 1.00 112.87 ? 158 GLY A N 1 ATOM 1220 C CA . GLY A 1 160 ? -17.629 -29.390 11.760 1.00 118.61 ? 158 GLY A CA 1 ATOM 1221 C C . GLY A 1 160 ? -18.472 -28.145 11.938 1.00 125.54 ? 158 GLY A C 1 ATOM 1222 O O . GLY A 1 160 ? -19.692 -28.164 11.762 1.00 129.49 ? 158 GLY A O 1 ATOM 1223 N N . SER A 1 161 ? -17.794 -27.063 12.295 1.00 127.83 ? 159 SER A N 1 ATOM 1224 C CA . SER A 1 161 ? -18.421 -25.749 12.460 1.00 134.82 ? 159 SER A CA 1 ATOM 1225 C C . SER A 1 161 ? -18.719 -25.134 11.099 1.00 136.49 ? 159 SER A C 1 ATOM 1226 O O . SER A 1 161 ? -19.767 -24.519 10.887 1.00 141.77 ? 159 SER A O 1 ATOM 1227 C CB . SER A 1 161 ? -17.507 -24.811 13.261 1.00 135.51 ? 159 SER A CB 1 ATOM 1228 O OG . SER A 1 161 ? -16.189 -24.803 12.740 1.00 131.63 ? 159 SER A OG 1 ATOM 1229 N N . HIS A 1 162 ? -17.776 -25.320 10.183 1.00 132.44 ? 160 HIS A N 1 ATOM 1230 C CA . HIS A 1 162 ? -17.823 -24.680 8.853 1.00 133.43 ? 160 HIS A CA 1 ATOM 1231 C C . HIS A 1 162 ? -19.100 -24.934 8.069 1.00 136.50 ? 160 HIS A C 1 ATOM 1232 O O . HIS A 1 162 ? -19.364 -26.051 7.621 1.00 134.29 ? 160 HIS A O 1 ATOM 1233 C CB . HIS A 1 162 ? -16.637 -25.094 7.965 1.00 127.53 ? 160 HIS A CB 1 ATOM 1234 C CG . HIS A 1 162 ? -15.416 -24.249 8.154 1.00 127.80 ? 160 HIS A CG 1 ATOM 1235 N ND1 . HIS A 1 162 ? -15.479 -22.936 8.568 1.00 133.26 ? 160 HIS A ND1 1 ATOM 1236 C CD2 . HIS A 1 162 ? -14.104 -24.519 7.953 1.00 123.49 ? 160 HIS A CD2 1 ATOM 1237 C CE1 . HIS A 1 162 ? -14.256 -22.439 8.633 1.00 132.42 ? 160 HIS A CE1 1 ATOM 1238 N NE2 . HIS A 1 162 ? -13.403 -23.379 8.264 1.00 126.14 ? 160 HIS A NE2 1 ATOM 1239 N N . THR A 1 163 ? -19.869 -23.866 7.895 1.00 142.10 ? 161 THR A N 1 ATOM 1240 C CA . THR A 1 163 ? -20.926 -23.819 6.885 1.00 145.17 ? 161 THR A CA 1 ATOM 1241 C C . THR A 1 163 ? -20.255 -23.299 5.623 1.00 142.72 ? 161 THR A C 1 ATOM 1242 O O . THR A 1 163 ? -20.660 -22.296 5.033 1.00 147.25 ? 161 THR A O 1 ATOM 1243 C CB . THR A 1 163 ? -22.090 -22.886 7.284 1.00 153.42 ? 161 THR A CB 1 ATOM 1244 O OG1 . THR A 1 163 ? -22.628 -23.297 8.547 1.00 155.88 ? 161 THR A OG1 1 ATOM 1245 C CG2 . THR A 1 163 ? -23.195 -22.920 6.235 1.00 156.92 ? 161 THR A CG2 1 ATOM 1246 N N . GLU A 1 164 ? -19.202 -24.009 5.242 1.00 135.65 ? 162 GLU A N 1 ATOM 1247 C CA . GLU A 1 164 ? -18.289 -23.567 4.192 1.00 132.59 ? 162 GLU A CA 1 ATOM 1248 C C . GLU A 1 164 ? -17.235 -24.621 3.908 1.00 124.84 ? 162 GLU A C 1 ATOM 1249 O O . GLU A 1 164 ? -16.973 -25.504 4.721 1.00 122.21 ? 162 GLU A O 1 ATOM 1250 C CB . GLU A 1 164 ? -17.619 -22.258 4.624 1.00 135.10 ? 162 GLU A CB 1 ATOM 1251 C CG . GLU A 1 164 ? -16.613 -21.678 3.632 1.00 133.85 ? 162 GLU A CG 1 ATOM 1252 C CD . GLU A 1 164 ? -16.011 -20.375 4.122 1.00 137.66 ? 162 GLU A CD 1 ATOM 1253 O OE1 . GLU A 1 164 ? -16.730 -19.602 4.789 1.00 144.77 ? 162 GLU A OE1 1 ATOM 1254 O OE2 . GLU A 1 164 ? -14.820 -20.123 3.841 1.00 135.03 ? 162 GLU A OE2 1 ATOM 1255 N N . GLU A 1 165 ? -16.641 -24.506 2.732 1.00 121.79 ? 163 GLU A N 1 ATOM 1256 C CA . GLU A 1 165 ? -15.570 -25.401 2.312 1.00 115.10 ? 163 GLU A CA 1 ATOM 1257 C C . GLU A 1 165 ? -14.330 -24.604 1.964 1.00 112.59 ? 163 GLU A C 1 ATOM 1258 O O . GLU A 1 165 ? -14.405 -23.439 1.578 1.00 116.31 ? 163 GLU A O 1 ATOM 1259 C CB . GLU A 1 165 ? -16.008 -26.237 1.108 1.00 113.74 ? 163 GLU A CB 1 ATOM 1260 C CG . GLU A 1 165 ? -17.176 -27.169 1.400 1.00 116.60 ? 163 GLU A CG 1 ATOM 1261 C CD . GLU A 1 165 ? -18.024 -27.445 0.170 1.00 119.78 ? 163 GLU A CD 1 ATOM 1262 O OE1 . GLU A 1 165 ? -17.448 -27.774 -0.891 1.00 116.33 ? 163 GLU A OE1 1 ATOM 1263 O OE2 . GLU A 1 165 ? -19.267 -27.331 0.267 1.00 123.43 ? 163 GLU A OE2 1 ATOM 1264 N N . GLU A 1 166 ? -13.188 -25.254 2.122 1.00 106.46 ? 164 GLU A N 1 ATOM 1265 C CA . GLU A 1 166 ? -11.896 -24.651 1.813 1.00 103.89 ? 164 GLU A CA 1 ATOM 1266 C C . GLU A 1 166 ? -11.014 -25.603 1.018 1.00 97.31 ? 164 GLU A C 1 ATOM 1267 O O . GLU A 1 166 ? -10.900 -26.788 1.330 1.00 93.78 ? 164 GLU A O 1 ATOM 1268 C CB . GLU A 1 166 ? -11.192 -24.228 3.106 1.00 104.66 ? 164 GLU A CB 1 ATOM 1269 C CG . GLU A 1 166 ? -9.716 -23.889 2.939 1.00 104.92 ? 164 GLU A CG 1 ATOM 1270 C CD . GLU A 1 166 ? -9.480 -22.693 2.033 1.00 111.11 ? 164 GLU A CD 1 ATOM 1271 O OE1 . GLU A 1 166 ? -10.089 -21.629 2.280 1.00 117.80 ? 164 GLU A OE1 1 ATOM 1272 O OE2 . GLU A 1 166 ? -8.679 -22.813 1.079 1.00 110.35 ? 164 GLU A OE2 1 ATOM 1273 N N . THR A 1 167 ? -10.402 -25.063 -0.026 1.00 95.29 ? 165 THR A N 1 ATOM 1274 C CA . THR A 1 167 ? -9.486 -25.837 -0.861 1.00 89.24 ? 165 THR A CA 1 ATOM 1275 C C . THR A 1 167 ? -8.162 -26.012 -0.153 1.00 85.44 ? 165 THR A C 1 ATOM 1276 O O . THR A 1 167 ? -7.464 -25.044 0.141 1.00 86.93 ? 165 THR A O 1 ATOM 1277 C CB . THR A 1 167 ? -9.226 -25.169 -2.216 1.00 90.28 ? 165 THR A CB 1 ATOM 1278 O OG1 . THR A 1 167 ? -10.433 -25.158 -2.984 1.00 92.02 ? 165 THR A OG1 1 ATOM 1279 C CG2 . THR A 1 167 ? -8.154 -25.928 -2.979 1.00 86.76 ? 165 THR A CG2 1 ATOM 1280 N N . VAL A 1 168 ? -7.835 -27.267 0.116 1.00 80.34 ? 166 VAL A N 1 ATOM 1281 C CA . VAL A 1 168 ? -6.558 -27.620 0.730 1.00 76.96 ? 166 VAL A CA 1 ATOM 1282 C C . VAL A 1 168 ? -5.515 -27.745 -0.364 1.00 73.91 ? 166 VAL A C 1 ATOM 1283 O O . VAL A 1 168 ? -4.418 -27.189 -0.290 1.00 74.56 ? 166 VAL A O 1 ATOM 1284 C CB . VAL A 1 168 ? -6.637 -28.959 1.483 1.00 74.25 ? 166 VAL A CB 1 ATOM 1285 C CG1 . VAL A 1 168 ? -5.272 -29.329 2.052 1.00 73.21 ? 166 VAL A CG1 1 ATOM 1286 C CG2 . VAL A 1 168 ? -7.689 -28.891 2.579 1.00 75.38 ? 166 VAL A CG2 1 ATOM 1287 N N . LEU A 1 169 ? -5.893 -28.490 -1.387 1.00 70.50 ? 167 LEU A N 1 ATOM 1288 C CA . LEU A 1 169 ? -5.010 -28.769 -2.515 1.00 67.60 ? 167 LEU A CA 1 ATOM 1289 C C . LEU A 1 169 ? -5.776 -29.246 -3.737 1.00 66.89 ? 167 LEU A C 1 ATOM 1290 O O . LEU A 1 169 ? -6.492 -30.245 -3.689 1.00 66.22 ? 167 LEU A O 1 ATOM 1291 C CB . LEU A 1 169 ? -3.951 -29.802 -2.119 1.00 64.12 ? 167 LEU A CB 1 ATOM 1292 C CG . LEU A 1 169 ? -3.074 -30.311 -3.267 1.00 61.00 ? 167 LEU A CG 1 ATOM 1293 C CD1 . LEU A 1 169 ? -1.658 -30.571 -2.786 1.00 60.78 ? 167 LEU A CD1 1 ATOM 1294 C CD2 . LEU A 1 169 ? -3.665 -31.554 -3.920 1.00 56.65 ? 167 LEU A CD2 1 ATOM 1295 N N . SER A 1 170 ? -5.601 -28.518 -4.832 1.00 67.87 ? 168 SER A N 1 ATOM 1296 C CA . SER A 1 170 ? -6.270 -28.837 -6.089 1.00 67.39 ? 168 SER A CA 1 ATOM 1297 C C . SER A 1 170 ? -5.279 -29.064 -7.223 1.00 65.89 ? 168 SER A C 1 ATOM 1298 O O . SER A 1 170 ? -4.464 -28.202 -7.550 1.00 68.05 ? 168 SER A O 1 ATOM 1299 C CB . SER A 1 170 ? -7.247 -27.729 -6.464 1.00 71.12 ? 168 SER A CB 1 ATOM 1300 O OG . SER A 1 170 ? -8.063 -28.144 -7.542 1.00 72.69 ? 168 SER A OG 1 ATOM 1301 N N . TYR A 1 171 ? -5.386 -30.239 -7.825 1.00 62.89 ? 169 TYR A N 1 ATOM 1302 C CA . TYR A 1 171 ? -4.451 -30.686 -8.859 1.00 60.72 ? 169 TYR A CA 1 ATOM 1303 C C . TYR A 1 171 ? -5.176 -31.437 -9.972 1.00 60.06 ? 169 TYR A C 1 ATOM 1304 O O . TYR A 1 171 ? -5.985 -32.332 -9.735 1.00 59.27 ? 169 TYR A O 1 ATOM 1305 C CB . TYR A 1 171 ? -3.381 -31.557 -8.213 1.00 58.09 ? 169 TYR A CB 1 ATOM 1306 C CG . TYR A 1 171 ? -2.108 -31.714 -9.002 1.00 57.45 ? 169 TYR A CG 1 ATOM 1307 C CD1 . TYR A 1 171 ? -1.503 -30.628 -9.623 1.00 59.98 ? 169 TYR A CD1 1 ATOM 1308 C CD2 . TYR A 1 171 ? -1.481 -32.949 -9.089 1.00 55.45 ? 169 TYR A CD2 1 ATOM 1309 C CE1 . TYR A 1 171 ? -0.323 -30.778 -10.332 1.00 57.85 ? 169 TYR A CE1 1 ATOM 1310 C CE2 . TYR A 1 171 ? -0.304 -33.106 -9.794 1.00 54.73 ? 169 TYR A CE2 1 ATOM 1311 C CZ . TYR A 1 171 ? 0.270 -32.019 -10.411 1.00 55.42 ? 169 TYR A CZ 1 ATOM 1312 O OH . TYR A 1 171 ? 1.442 -32.184 -11.109 1.00 55.94 ? 169 TYR A OH 1 ATOM 1313 N N . ASP A 1 172 ? -4.858 -31.052 -11.194 1.00 61.72 ? 170 ASP A N 1 ATOM 1314 C CA . ASP A 1 172 ? -5.638 -31.439 -12.373 1.00 62.64 ? 170 ASP A CA 1 ATOM 1315 C C . ASP A 1 172 ? -4.760 -31.734 -13.587 1.00 61.40 ? 170 ASP A C 1 ATOM 1316 O O . ASP A 1 172 ? -3.690 -31.160 -13.764 1.00 62.46 ? 170 ASP A O 1 ATOM 1317 C CB . ASP A 1 172 ? -6.640 -30.316 -12.687 1.00 66.95 ? 170 ASP A CB 1 ATOM 1318 C CG . ASP A 1 172 ? -7.405 -30.547 -13.974 1.00 70.65 ? 170 ASP A CG 1 ATOM 1319 O OD1 . ASP A 1 172 ? -7.875 -31.684 -14.192 1.00 73.09 ? 170 ASP A OD1 1 ATOM 1320 O OD2 . ASP A 1 172 ? -7.535 -29.586 -14.766 1.00 75.50 ? 170 ASP A OD2 1 ATOM 1321 N N . SER A 1 173 ? -5.229 -32.645 -14.421 1.00 59.80 ? 171 SER A N 1 ATOM 1322 C CA . SER A 1 173 ? -4.446 -33.080 -15.585 1.00 59.26 ? 171 SER A CA 1 ATOM 1323 C C . SER A 1 173 ? -4.199 -31.943 -16.574 1.00 62.09 ? 171 SER A C 1 ATOM 1324 O O . SER A 1 173 ? -3.236 -31.967 -17.338 1.00 62.96 ? 171 SER A O 1 ATOM 1325 C CB . SER A 1 173 ? -5.116 -34.260 -16.299 1.00 58.06 ? 171 SER A CB 1 ATOM 1326 O OG . SER A 1 173 ? -6.304 -33.863 -16.951 1.00 59.79 ? 171 SER A OG 1 ATOM 1327 N N . ASN A 1 174 ? -5.081 -30.956 -16.549 1.00 64.55 ? 172 ASN A N 1 ATOM 1328 C CA . ASN A 1 174 ? -5.039 -29.854 -17.507 1.00 68.55 ? 172 ASN A CA 1 ATOM 1329 C C . ASN A 1 174 ? -4.686 -28.530 -16.848 1.00 70.89 ? 172 ASN A C 1 ATOM 1330 O O . ASN A 1 174 ? -5.267 -27.496 -17.153 1.00 74.44 ? 172 ASN A O 1 ATOM 1331 C CB . ASN A 1 174 ? -6.381 -29.729 -18.232 1.00 71.18 ? 172 ASN A CB 1 ATOM 1332 C CG . ASN A 1 174 ? -6.809 -31.024 -18.896 1.00 70.29 ? 172 ASN A CG 1 ATOM 1333 O OD1 . ASN A 1 174 ? -7.922 -31.502 -18.689 1.00 72.06 ? 172 ASN A OD1 1 ATOM 1334 N ND2 . ASN A 1 174 ? -5.925 -31.595 -19.705 1.00 71.41 ? 172 ASN A ND2 1 ATOM 1335 N N . MET A 1 175 ? -3.722 -28.582 -15.941 1.00 69.99 ? 173 MET A N 1 ATOM 1336 C CA . MET A 1 175 ? -3.283 -27.393 -15.195 1.00 72.89 ? 173 MET A CA 1 ATOM 1337 C C . MET A 1 175 ? -2.536 -26.412 -16.062 1.00 77.11 ? 173 MET A C 1 ATOM 1338 O O . MET A 1 175 ? -1.642 -26.780 -16.820 1.00 77.94 ? 173 MET A O 1 ATOM 1339 C CB . MET A 1 175 ? -2.377 -27.779 -14.022 1.00 70.90 ? 173 MET A CB 1 ATOM 1340 C CG . MET A 1 175 ? -3.083 -28.513 -12.907 1.00 69.50 ? 173 MET A CG 1 ATOM 1341 S SD . MET A 1 175 ? -3.530 -27.495 -11.495 1.00 75.42 ? 173 MET A SD 1 ATOM 1342 C CE . MET A 1 175 ? -4.379 -26.130 -12.295 1.00 80.75 ? 173 MET A CE 1 ATOM 1343 N N . ARG A 1 176 ? -2.923 -25.152 -15.934 1.00 81.37 ? 174 ARG A N 1 ATOM 1344 C CA . ARG A 1 176 ? -2.201 -24.052 -16.557 1.00 85.89 ? 174 ARG A CA 1 ATOM 1345 C C . ARG A 1 176 ? -1.454 -23.319 -15.463 1.00 87.01 ? 174 ARG A C 1 ATOM 1346 O O . ARG A 1 176 ? -1.372 -22.096 -15.433 1.00 91.74 ? 174 ARG A O 1 ATOM 1347 C CB . ARG A 1 176 ? -3.136 -23.116 -17.317 1.00 90.91 ? 174 ARG A CB 1 ATOM 1348 C CG . ARG A 1 176 ? -3.484 -23.611 -18.713 1.00 92.67 ? 174 ARG A CG 1 ATOM 1349 C CD . ARG A 1 176 ? -3.853 -22.445 -19.629 1.00 100.89 ? 174 ARG A CD 1 ATOM 1350 N NE . ARG A 1 176 ? -4.301 -22.887 -20.949 1.00 101.90 ? 174 ARG A NE 1 ATOM 1351 C CZ . ARG A 1 176 ? -4.698 -22.070 -21.920 1.00 108.48 ? 174 ARG A CZ 1 ATOM 1352 N NH1 . ARG A 1 176 ? -4.704 -20.756 -21.731 1.00 115.53 ? 174 ARG A NH1 1 ATOM 1353 N NH2 . ARG A 1 176 ? -5.089 -22.567 -23.084 1.00 108.83 ? 174 ARG A NH2 1 ATOM 1354 N N . SER A 1 177 ? -0.932 -24.115 -14.547 1.00 83.65 ? 175 SER A N 1 ATOM 1355 C CA . SER A 1 177 ? -0.086 -23.629 -13.462 1.00 84.73 ? 175 SER A CA 1 ATOM 1356 C C . SER A 1 177 ? 1.175 -24.476 -13.330 1.00 82.10 ? 175 SER A C 1 ATOM 1357 O O . SER A 1 177 ? 1.292 -25.559 -13.910 1.00 78.67 ? 175 SER A O 1 ATOM 1358 C CB . SER A 1 177 ? -0.863 -23.633 -12.145 1.00 83.49 ? 175 SER A CB 1 ATOM 1359 O OG . SER A 1 177 ? 0.002 -23.433 -11.042 1.00 85.00 ? 175 SER A OG 1 ATOM 1360 N N . GLY A 1 178 ? 2.116 -23.952 -12.560 1.00 83.69 ? 176 GLY A N 1 ATOM 1361 C CA . GLY A 1 178 ? 3.408 -24.598 -12.358 1.00 82.71 ? 176 GLY A CA 1 ATOM 1362 C C . GLY A 1 178 ? 3.383 -25.609 -11.239 1.00 79.07 ? 176 GLY A C 1 ATOM 1363 O O . GLY A 1 178 ? 4.357 -26.316 -10.995 1.00 78.41 ? 176 GLY A O 1 ATOM 1364 N N . LYS A 1 179 ? 2.251 -25.669 -10.559 1.00 77.70 ? 177 LYS A N 1 ATOM 1365 C CA . LYS A 1 179 ? 2.097 -26.541 -9.393 1.00 74.75 ? 177 LYS A CA 1 ATOM 1366 C C . LYS A 1 179 ? 0.636 -26.694 -9.015 1.00 73.50 ? 177 LYS A C 1 ATOM 1367 O O . LYS A 1 179 ? -0.236 -26.008 -9.549 1.00 76.07 ? 177 LYS A O 1 ATOM 1368 C CB . LYS A 1 179 ? 2.880 -25.966 -8.209 1.00 76.64 ? 177 LYS A CB 1 ATOM 1369 C CG . LYS A 1 179 ? 3.283 -26.969 -7.146 1.00 74.37 ? 177 LYS A CG 1 ATOM 1370 C CD . LYS A 1 179 ? 4.425 -26.411 -6.302 1.00 78.86 ? 177 LYS A CD 1 ATOM 1371 C CE . LYS A 1 179 ? 4.558 -27.123 -4.967 1.00 78.45 ? 177 LYS A CE 1 ATOM 1372 N NZ . LYS A 1 179 ? 5.504 -26.407 -4.066 1.00 84.08 ? 177 LYS A NZ 1 ATOM 1373 N N . PHE A 1 180 ? 0.386 -27.609 -8.092 1.00 70.54 ? 178 PHE A N 1 ATOM 1374 C CA . PHE A 1 180 ? -0.956 -27.766 -7.507 1.00 69.91 ? 178 PHE A CA 1 ATOM 1375 C C . PHE A 1 180 ? -1.405 -26.465 -6.874 1.00 73.19 ? 178 PHE A C 1 ATOM 1376 O O . PHE A 1 180 ? -0.591 -25.637 -6.460 1.00 76.08 ? 178 PHE A O 1 ATOM 1377 C CB . PHE A 1 180 ? -1.008 -28.895 -6.458 1.00 67.24 ? 178 PHE A CB 1 ATOM 1378 C CG . PHE A 1 180 ? -0.014 -28.736 -5.336 1.00 67.30 ? 178 PHE A CG 1 ATOM 1379 C CD1 . PHE A 1 180 ? -0.220 -27.807 -4.332 1.00 68.46 ? 178 PHE A CD1 1 ATOM 1380 C CD2 . PHE A 1 180 ? 1.126 -29.520 -5.291 1.00 66.31 ? 178 PHE A CD2 1 ATOM 1381 C CE1 . PHE A 1 180 ? 0.696 -27.657 -3.312 1.00 70.21 ? 178 PHE A CE1 1 ATOM 1382 C CE2 . PHE A 1 180 ? 2.042 -29.378 -4.269 1.00 67.75 ? 178 PHE A CE2 1 ATOM 1383 C CZ . PHE A 1 180 ? 1.828 -28.447 -3.280 1.00 69.45 ? 178 PHE A CZ 1 ATOM 1384 N N . GLN A 1 181 ? -2.716 -26.298 -6.806 1.00 74.00 ? 179 GLN A N 1 ATOM 1385 C CA . GLN A 1 181 ? -3.308 -25.141 -6.130 1.00 77.85 ? 179 GLN A CA 1 ATOM 1386 C C . GLN A 1 181 ? -3.653 -25.483 -4.696 1.00 76.61 ? 179 GLN A C 1 ATOM 1387 O O . GLN A 1 181 ? -4.409 -26.405 -4.424 1.00 73.63 ? 179 GLN A O 1 ATOM 1388 C CB . GLN A 1 181 ? -4.548 -24.629 -6.867 1.00 80.51 ? 179 GLN A CB 1 ATOM 1389 C CG . GLN A 1 181 ? -4.220 -23.663 -7.997 1.00 86.11 ? 179 GLN A CG 1 ATOM 1390 C CD . GLN A 1 181 ? -4.037 -22.226 -7.520 1.00 94.46 ? 179 GLN A CD 1 ATOM 1391 O OE1 . GLN A 1 181 ? -4.501 -21.851 -6.439 1.00 97.99 ? 179 GLN A OE1 1 ATOM 1392 N NE2 . GLN A 1 181 ? -3.375 -21.410 -8.338 1.00 96.18 ? 179 GLN A NE2 1 ATOM 1393 N N . SER A 1 182 ? -3.051 -24.731 -3.789 1.00 79.08 ? 180 SER A N 1 ATOM 1394 C CA . SER A 1 182 ? -3.389 -24.784 -2.369 1.00 79.31 ? 180 SER A CA 1 ATOM 1395 C C . SER A 1 182 ? -3.667 -23.368 -1.881 1.00 83.54 ? 180 SER A C 1 ATOM 1396 O O . SER A 1 182 ? -2.809 -22.489 -1.959 1.00 85.65 ? 180 SER A O 1 ATOM 1397 C CB . SER A 1 182 ? -2.253 -25.396 -1.554 1.00 77.49 ? 180 SER A CB 1 ATOM 1398 O OG . SER A 1 182 ? -1.293 -24.405 -1.215 1.00 83.64 ? 180 SER A OG 1 ATOM 1399 N N . LEU A 1 183 ? -4.873 -23.175 -1.366 1.00 84.84 ? 181 LEU A N 1 ATOM 1400 C CA . LEU A 1 183 ? -5.363 -21.847 -1.014 1.00 89.69 ? 181 LEU A CA 1 ATOM 1401 C C . LEU A 1 183 ? -5.306 -21.557 0.472 1.00 90.87 ? 181 LEU A C 1 ATOM 1402 O O . LEU A 1 183 ? -5.393 -22.446 1.315 1.00 88.11 ? 181 LEU A O 1 ATOM 1403 C CB . LEU A 1 183 ? -6.803 -21.667 -1.509 1.00 91.80 ? 181 LEU A CB 1 ATOM 1404 C CG . LEU A 1 183 ? -7.052 -21.931 -2.997 1.00 91.55 ? 181 LEU A CG 1 ATOM 1405 C CD1 . LEU A 1 183 ? -8.531 -21.766 -3.326 1.00 93.27 ? 181 LEU A CD1 1 ATOM 1406 C CD2 . LEU A 1 183 ? -6.195 -21.011 -3.863 1.00 95.50 ? 181 LEU A CD2 1 ATOM 1407 N N . GLY A 1 184 ? -5.143 -20.274 0.758 1.00 95.97 ? 182 GLY A N 1 ATOM 1408 C CA . GLY A 1 184 ? -5.281 -19.725 2.103 1.00 98.61 ? 182 GLY A CA 1 ATOM 1409 C C . GLY A 1 184 ? -4.346 -20.295 3.134 1.00 96.10 ? 182 GLY A C 1 ATOM 1410 O O . GLY A 1 184 ? -3.158 -20.489 2.895 1.00 95.00 ? 182 GLY A O 1 ATOM 1411 N N . ARG A 1 185 ? -4.913 -20.520 4.306 1.00 96.46 ? 183 ARG A N 1 ATOM 1412 C CA . ARG A 1 185 ? -4.194 -21.111 5.439 1.00 95.25 ? 183 ARG A CA 1 ATOM 1413 C C . ARG A 1 185 ? -3.200 -22.173 4.995 1.00 91.01 ? 183 ARG A C 1 ATOM 1414 O O . ARG A 1 185 ? -2.049 -22.192 5.431 1.00 91.32 ? 183 ARG A O 1 ATOM 1415 C CB . ARG A 1 185 ? -5.175 -21.732 6.442 1.00 94.54 ? 183 ARG A CB 1 ATOM 1416 C CG . ARG A 1 185 ? -6.362 -22.446 5.799 1.00 93.99 ? 183 ARG A CG 1 ATOM 1417 C CD . ARG A 1 185 ? -7.057 -23.390 6.770 1.00 94.51 ? 183 ARG A CD 1 ATOM 1418 N NE . ARG A 1 185 ? -7.328 -22.763 8.061 1.00 98.63 ? 183 ARG A NE 1 ATOM 1419 C CZ . ARG A 1 185 ? -6.585 -22.929 9.151 1.00 99.44 ? 183 ARG A CZ 1 ATOM 1420 N NH1 . ARG A 1 185 ? -5.516 -23.712 9.127 1.00 96.50 ? 183 ARG A NH1 1 ATOM 1421 N NH2 . ARG A 1 185 ? -6.916 -22.309 10.272 1.00 105.07 ? 183 ARG A NH2 1 ATOM 1422 N N . PHE A 1 186 ? -3.659 -23.040 4.105 1.00 87.52 ? 184 PHE A N 1 ATOM 1423 C CA . PHE A 1 186 ? -2.917 -24.262 3.756 1.00 83.56 ? 184 PHE A CA 1 ATOM 1424 C C . PHE A 1 186 ? -1.680 -24.012 2.905 1.00 83.95 ? 184 PHE A C 1 ATOM 1425 O O . PHE A 1 186 ? -0.821 -24.884 2.770 1.00 81.23 ? 184 PHE A O 1 ATOM 1426 C CB . PHE A 1 186 ? -3.828 -25.289 3.079 1.00 80.39 ? 184 PHE A CB 1 ATOM 1427 C CG . PHE A 1 186 ? -4.848 -25.874 4.003 1.00 78.64 ? 184 PHE A CG 1 ATOM 1428 C CD1 . PHE A 1 186 ? -4.468 -26.765 4.989 1.00 76.40 ? 184 PHE A CD1 1 ATOM 1429 C CD2 . PHE A 1 186 ? -6.183 -25.527 3.899 1.00 80.26 ? 184 PHE A CD2 1 ATOM 1430 C CE1 . PHE A 1 186 ? -5.400 -27.307 5.854 1.00 77.08 ? 184 PHE A CE1 1 ATOM 1431 C CE2 . PHE A 1 186 ? -7.118 -26.065 4.760 1.00 81.02 ? 184 PHE A CE2 1 ATOM 1432 C CZ . PHE A 1 186 ? -6.724 -26.957 5.741 1.00 78.75 ? 184 PHE A CZ 1 ATOM 1433 N N . ARG A 1 187 ? -1.593 -22.818 2.341 1.00 87.99 ? 185 ARG A N 1 ATOM 1434 C CA . ARG A 1 187 ? -0.392 -22.423 1.591 1.00 89.99 ? 185 ARG A CA 1 ATOM 1435 C C . ARG A 1 187 ? 0.868 -22.763 2.371 1.00 89.78 ? 185 ARG A C 1 ATOM 1436 O O . ARG A 1 187 ? 0.918 -22.637 3.594 1.00 91.64 ? 185 ARG A O 1 ATOM 1437 C CB . ARG A 1 187 ? -0.389 -20.924 1.256 1.00 95.67 ? 185 ARG A CB 1 ATOM 1438 C CG . ARG A 1 187 ? -1.057 -20.581 -0.067 1.00 99.36 ? 185 ARG A CG 1 ATOM 1439 C CD . ARG A 1 187 ? -0.991 -19.079 -0.342 1.00 107.66 ? 185 ARG A CD 1 ATOM 1440 N NE . ARG A 1 187 ? -1.036 -18.764 -1.771 1.00 111.29 ? 185 ARG A NE 1 ATOM 1441 C CZ . ARG A 1 187 ? -0.913 -17.536 -2.273 1.00 118.67 ? 185 ARG A CZ 1 ATOM 1442 N NH1 . ARG A 1 187 ? -0.742 -16.496 -1.465 1.00 123.32 ? 185 ARG A NH1 1 ATOM 1443 N NH2 . ARG A 1 187 ? -0.963 -17.343 -3.585 1.00 119.87 ? 185 ARG A NH2 1 ATOM 1444 N N . ASN A 1 188 ? 1.877 -23.198 1.630 1.00 88.26 ? 186 ASN A N 1 ATOM 1445 C CA . ASN A 1 188 ? 3.232 -23.413 2.151 1.00 89.28 ? 186 ASN A CA 1 ATOM 1446 C C . ASN A 1 188 ? 3.386 -24.669 2.999 1.00 86.47 ? 186 ASN A C 1 ATOM 1447 O O . ASN A 1 188 ? 4.501 -25.120 3.270 1.00 87.10 ? 186 ASN A O 1 ATOM 1448 C CB . ASN A 1 188 ? 3.699 -22.201 2.962 1.00 94.21 ? 186 ASN A CB 1 ATOM 1449 C CG . ASN A 1 188 ? 3.618 -20.905 2.174 1.00 99.03 ? 186 ASN A CG 1 ATOM 1450 O OD1 . ASN A 1 188 ? 3.772 -20.900 0.953 1.00 99.05 ? 186 ASN A OD1 1 ATOM 1451 N ND2 . ASN A 1 188 ? 3.381 -19.797 2.872 1.00 103.29 ? 186 ASN A ND2 1 ATOM 1452 N N . ARG A 1 189 ? 2.258 -25.227 3.413 1.00 83.96 ? 187 ARG A N 1 ATOM 1453 C CA . ARG A 1 189 ? 2.261 -26.363 4.332 1.00 81.77 ? 187 ARG A CA 1 ATOM 1454 C C . ARG A 1 189 ? 1.813 -27.632 3.641 1.00 78.30 ? 187 ARG A C 1 ATOM 1455 O O . ARG A 1 189 ? 2.510 -28.647 3.653 1.00 77.60 ? 187 ARG A O 1 ATOM 1456 C CB . ARG A 1 189 ? 1.359 -26.059 5.525 1.00 83.05 ? 187 ARG A CB 1 ATOM 1457 C CG . ARG A 1 189 ? 1.829 -24.836 6.319 1.00 85.07 ? 187 ARG A CG 1 ATOM 1458 C CD . ARG A 1 189 ? 1.100 -24.646 7.644 1.00 83.86 ? 187 ARG A CD 1 ATOM 1459 N NE . ARG A 1 189 ? -0.301 -24.289 7.461 1.00 81.68 ? 187 ARG A NE 1 ATOM 1460 C CZ . ARG A 1 189 ? -1.328 -25.027 7.869 1.00 81.13 ? 187 ARG A CZ 1 ATOM 1461 N NH1 . ARG A 1 189 ? -1.129 -26.179 8.500 1.00 79.28 ? 187 ARG A NH1 1 ATOM 1462 N NH2 . ARG A 1 189 ? -2.563 -24.602 7.652 1.00 82.29 ? 187 ARG A NH2 1 ATOM 1463 N N . VAL A 1 190 ? 0.634 -27.563 3.043 1.00 77.25 ? 188 VAL A N 1 ATOM 1464 C CA . VAL A 1 190 ? 0.124 -28.678 2.223 1.00 74.04 ? 188 VAL A CA 1 ATOM 1465 C C . VAL A 1 190 ? 1.112 -29.024 1.122 1.00 72.40 ? 188 VAL A C 1 ATOM 1466 O O . VAL A 1 190 ? 1.698 -28.148 0.492 1.00 73.82 ? 188 VAL A O 1 ATOM 1467 C CB . VAL A 1 190 ? -1.251 -28.383 1.580 1.00 74.28 ? 188 VAL A CB 1 ATOM 1468 C CG1 . VAL A 1 190 ? -1.423 -29.177 0.285 1.00 71.63 ? 188 VAL A CG1 1 ATOM 1469 C CG2 . VAL A 1 190 ? -2.363 -28.708 2.558 1.00 74.02 ? 188 VAL A CG2 1 ATOM 1470 N N . ASP A 1 191 ? 1.292 -30.321 0.915 1.00 69.60 ? 189 ASP A N 1 ATOM 1471 C CA . ASP A 1 191 ? 2.250 -30.827 -0.077 1.00 68.29 ? 189 ASP A CA 1 ATOM 1472 C C . ASP A 1 191 ? 1.979 -32.280 -0.481 1.00 63.90 ? 189 ASP A C 1 ATOM 1473 O O . ASP A 1 191 ? 1.596 -33.110 0.333 1.00 63.03 ? 189 ASP A O 1 ATOM 1474 C CB . ASP A 1 191 ? 3.668 -30.673 0.469 1.00 70.76 ? 189 ASP A CB 1 ATOM 1475 C CG . ASP A 1 191 ? 4.721 -30.992 -0.556 1.00 73.06 ? 189 ASP A CG 1 ATOM 1476 O OD1 . ASP A 1 191 ? 4.752 -32.144 -1.038 1.00 78.57 ? 189 ASP A OD1 1 ATOM 1477 O OD2 . ASP A 1 191 ? 5.531 -30.094 -0.866 1.00 76.16 ? 189 ASP A OD2 1 ATOM 1478 N N . LEU A 1 192 ? 2.194 -32.561 -1.754 1.00 61.68 ? 190 LEU A N 1 ATOM 1479 C CA . LEU A 1 192 ? 1.787 -33.843 -2.372 1.00 59.18 ? 190 LEU A CA 1 ATOM 1480 C C . LEU A 1 192 ? 2.790 -34.976 -2.132 1.00 58.12 ? 190 LEU A C 1 ATOM 1481 O O . LEU A 1 192 ? 3.947 -34.894 -2.528 1.00 58.59 ? 190 LEU A O 1 ATOM 1482 C CB . LEU A 1 192 ? 1.553 -33.644 -3.878 1.00 58.89 ? 190 LEU A CB 1 ATOM 1483 C CG . LEU A 1 192 ? 0.532 -34.530 -4.592 1.00 58.27 ? 190 LEU A CG 1 ATOM 1484 C CD1 . LEU A 1 192 ? -0.711 -34.733 -3.748 1.00 58.64 ? 190 LEU A CD1 1 ATOM 1485 C CD2 . LEU A 1 192 ? 0.163 -33.901 -5.932 1.00 60.89 ? 190 LEU A CD2 1 ATOM 1486 N N . THR A 1 193 ? 2.323 -36.031 -1.469 1.00 56.95 ? 191 THR A N 1 ATOM 1487 C CA . THR A 1 193 ? 3.175 -37.193 -1.138 1.00 57.18 ? 191 THR A CA 1 ATOM 1488 C C . THR A 1 193 ? 2.888 -38.375 -2.049 1.00 55.73 ? 191 THR A C 1 ATOM 1489 O O . THR A 1 193 ? 3.643 -39.344 -2.106 1.00 56.79 ? 191 THR A O 1 ATOM 1490 C CB . THR A 1 193 ? 2.996 -37.665 0.322 1.00 57.82 ? 191 THR A CB 1 ATOM 1491 O OG1 . THR A 1 193 ? 1.601 -37.821 0.611 1.00 58.64 ? 191 THR A OG1 1 ATOM 1492 C CG2 . THR A 1 193 ? 3.623 -36.678 1.295 1.00 58.45 ? 191 THR A CG2 1 ATOM 1493 N N . GLY A 1 194 ? 1.774 -38.281 -2.752 1.00 53.92 ? 192 GLY A N 1 ATOM 1494 C CA . GLY A 1 194 ? 1.410 -39.269 -3.758 1.00 51.82 ? 192 GLY A CA 1 ATOM 1495 C C . GLY A 1 194 ? 1.915 -38.859 -5.117 1.00 50.56 ? 192 GLY A C 1 ATOM 1496 O O . GLY A 1 194 ? 2.232 -37.696 -5.357 1.00 51.96 ? 192 GLY A O 1 ATOM 1497 N N . ASP A 1 195 ? 2.015 -39.845 -5.993 1.00 49.29 ? 193 ASP A N 1 ATOM 1498 C CA . ASP A 1 195 ? 2.345 -39.614 -7.395 1.00 48.11 ? 193 ASP A CA 1 ATOM 1499 C C . ASP A 1 195 ? 1.072 -39.746 -8.198 1.00 46.92 ? 193 ASP A C 1 ATOM 1500 O O . ASP A 1 195 ? 0.603 -40.846 -8.480 1.00 47.41 ? 193 ASP A O 1 ATOM 1501 C CB . ASP A 1 195 ? 3.382 -40.616 -7.883 1.00 48.78 ? 193 ASP A CB 1 ATOM 1502 C CG . ASP A 1 195 ? 3.851 -40.331 -9.292 1.00 51.37 ? 193 ASP A CG 1 ATOM 1503 O OD1 . ASP A 1 195 ? 3.142 -39.601 -10.018 1.00 51.34 ? 193 ASP A OD1 1 ATOM 1504 O OD2 . ASP A 1 195 ? 4.934 -40.839 -9.675 1.00 53.57 ? 193 ASP A OD2 1 ATOM 1505 N N . ILE A 1 196 ? 0.517 -38.602 -8.562 1.00 46.49 ? 194 ILE A N 1 ATOM 1506 C CA . ILE A 1 196 ? -0.807 -38.558 -9.177 1.00 45.58 ? 194 ILE A CA 1 ATOM 1507 C C . ILE A 1 196 ? -0.820 -39.372 -10.464 1.00 45.93 ? 194 ILE A C 1 ATOM 1508 O O . ILE A 1 196 ? -1.867 -39.853 -10.899 1.00 45.75 ? 194 ILE A O 1 ATOM 1509 C CB . ILE A 1 196 ? -1.283 -37.112 -9.464 1.00 46.31 ? 194 ILE A CB 1 ATOM 1510 C CG1 . ILE A 1 196 ? -2.748 -36.947 -9.048 1.00 48.02 ? 194 ILE A CG1 1 ATOM 1511 C CG2 . ILE A 1 196 ? -1.062 -36.754 -10.917 1.00 45.65 ? 194 ILE A CG2 1 ATOM 1512 C CD1 . ILE A 1 196 ? -3.642 -38.130 -9.381 1.00 47.86 ? 194 ILE A CD1 1 ATOM 1513 N N . SER A 1 197 ? 0.362 -39.555 -11.044 1.00 47.42 ? 195 SER A N 1 ATOM 1514 C CA . SER A 1 197 ? 0.499 -40.276 -12.324 1.00 47.75 ? 195 SER A CA 1 ATOM 1515 C C . SER A 1 197 ? 0.244 -41.755 -12.100 1.00 48.05 ? 195 SER A C 1 ATOM 1516 O O . SER A 1 197 ? -0.174 -42.487 -13.008 1.00 48.58 ? 195 SER A O 1 ATOM 1517 C CB . SER A 1 197 ? 1.887 -40.082 -12.939 1.00 48.77 ? 195 SER A CB 1 ATOM 1518 O OG . SER A 1 197 ? 2.863 -40.845 -12.259 1.00 47.43 ? 195 SER A OG 1 ATOM 1519 N N . ARG A 1 198 ? 0.525 -42.176 -10.875 1.00 47.86 ? 196 ARG A N 1 ATOM 1520 C CA . ARG A 1 198 ? 0.269 -43.540 -10.442 1.00 47.88 ? 196 ARG A CA 1 ATOM 1521 C C . ARG A 1 198 ? -1.007 -43.582 -9.641 1.00 46.60 ? 196 ARG A C 1 ATOM 1522 O O . ARG A 1 198 ? -1.192 -44.437 -8.789 1.00 45.53 ? 196 ARG A O 1 ATOM 1523 C CB . ARG A 1 198 ? 1.408 -44.058 -9.584 1.00 49.04 ? 196 ARG A CB 1 ATOM 1524 C CG . ARG A 1 198 ? 2.759 -43.931 -10.234 1.00 48.95 ? 196 ARG A CG 1 ATOM 1525 C CD . ARG A 1 198 ? 3.768 -44.703 -9.443 1.00 50.82 ? 196 ARG A CD 1 ATOM 1526 N NE . ARG A 1 198 ? 5.095 -44.608 -10.018 1.00 55.50 ? 196 ARG A NE 1 ATOM 1527 C CZ . ARG A 1 198 ? 6.039 -43.779 -9.590 1.00 61.45 ? 196 ARG A CZ 1 ATOM 1528 N NH1 . ARG A 1 198 ? 5.810 -42.958 -8.571 1.00 61.15 ? 196 ARG A NH1 1 ATOM 1529 N NH2 . ARG A 1 198 ? 7.225 -43.780 -10.180 1.00 65.05 ? 196 ARG A NH2 1 ATOM 1530 N N . ASN A 1 199 ? -1.875 -42.624 -9.924 1.00 46.63 ? 197 ASN A N 1 ATOM 1531 C CA . ASN A 1 199 ? -3.226 -42.610 -9.375 1.00 47.58 ? 197 ASN A CA 1 ATOM 1532 C C . ASN A 1 199 ? -3.248 -42.425 -7.860 1.00 47.51 ? 197 ASN A C 1 ATOM 1533 O O . ASN A 1 199 ? -4.142 -42.905 -7.170 1.00 47.42 ? 197 ASN A O 1 ATOM 1534 C CB . ASN A 1 199 ? -3.947 -43.897 -9.781 1.00 48.51 ? 197 ASN A CB 1 ATOM 1535 C CG . ASN A 1 199 ? -3.896 -44.136 -11.282 1.00 51.73 ? 197 ASN A CG 1 ATOM 1536 O OD1 . ASN A 1 199 ? -4.365 -43.312 -12.068 1.00 57.04 ? 197 ASN A OD1 1 ATOM 1537 N ND2 . ASN A 1 199 ? -3.307 -45.251 -11.687 1.00 53.37 ? 197 ASN A ND2 1 ATOM 1538 N N . ASP A 1 200 ? -2.261 -41.688 -7.372 1.00 47.51 ? 198 ASP A N 1 ATOM 1539 C CA . ASP A 1 200 ? -2.062 -41.487 -5.948 1.00 48.32 ? 198 ASP A CA 1 ATOM 1540 C C . ASP A 1 200 ? -2.065 -40.021 -5.547 1.00 48.43 ? 198 ASP A C 1 ATOM 1541 O O . ASP A 1 200 ? -1.123 -39.275 -5.840 1.00 49.50 ? 198 ASP A O 1 ATOM 1542 C CB . ASP A 1 200 ? -0.731 -42.110 -5.553 1.00 50.10 ? 198 ASP A CB 1 ATOM 1543 C CG . ASP A 1 200 ? -0.530 -42.151 -4.054 1.00 53.17 ? 198 ASP A CG 1 ATOM 1544 O OD1 . ASP A 1 200 ? -0.987 -41.214 -3.358 1.00 50.26 ? 198 ASP A OD1 1 ATOM 1545 O OD2 . ASP A 1 200 ? 0.088 -43.126 -3.579 1.00 56.86 ? 198 ASP A OD2 1 ATOM 1546 N N . GLY A 1 201 ? -3.126 -39.631 -4.849 1.00 47.92 ? 199 GLY A N 1 ATOM 1547 C CA . GLY A 1 201 ? -3.369 -38.226 -4.497 1.00 47.45 ? 199 GLY A CA 1 ATOM 1548 C C . GLY A 1 201 ? -3.010 -37.858 -3.073 1.00 47.36 ? 199 GLY A C 1 ATOM 1549 O O . GLY A 1 201 ? -3.261 -36.748 -2.620 1.00 47.58 ? 199 GLY A O 1 ATOM 1550 N N . SER A 1 202 ? -2.400 -38.801 -2.375 1.00 47.62 ? 200 SER A N 1 ATOM 1551 C CA . SER A 1 202 ? -2.007 -38.592 -0.974 1.00 48.61 ? 200 SER A CA 1 ATOM 1552 C C . SER A 1 202 ? -1.223 -37.303 -0.780 1.00 50.24 ? 200 SER A C 1 ATOM 1553 O O . SER A 1 202 ? -0.298 -36.968 -1.537 1.00 49.57 ? 200 SER A O 1 ATOM 1554 C CB . SER A 1 202 ? -1.182 -39.766 -0.455 1.00 48.74 ? 200 SER A CB 1 ATOM 1555 O OG . SER A 1 202 ? -1.898 -40.974 -0.628 1.00 49.61 ? 200 SER A OG 1 ATOM 1556 N N . ILE A 1 203 ? -1.608 -36.588 0.267 1.00 51.77 ? 201 ILE A N 1 ATOM 1557 C CA . ILE A 1 203 ? -0.971 -35.327 0.615 1.00 52.82 ? 201 ILE A CA 1 ATOM 1558 C C . ILE A 1 203 ? -0.434 -35.324 2.030 1.00 54.94 ? 201 ILE A C 1 ATOM 1559 O O . ILE A 1 203 ? -0.784 -36.152 2.873 1.00 55.29 ? 201 ILE A O 1 ATOM 1560 C CB . ILE A 1 203 ? -1.938 -34.135 0.469 1.00 53.44 ? 201 ILE A CB 1 ATOM 1561 C CG1 . ILE A 1 203 ? -3.006 -34.151 1.571 1.00 52.68 ? 201 ILE A CG1 1 ATOM 1562 C CG2 . ILE A 1 203 ? -2.600 -34.158 -0.898 1.00 53.02 ? 201 ILE A CG2 1 ATOM 1563 C CD1 . ILE A 1 203 ? -3.979 -32.986 1.493 1.00 52.26 ? 201 ILE A CD1 1 ATOM 1564 N N . LYS A 1 204 ? 0.406 -34.332 2.260 1.00 57.09 ? 202 LYS A N 1 ATOM 1565 C CA . LYS A 1 204 ? 1.109 -34.148 3.521 1.00 59.11 ? 202 LYS A CA 1 ATOM 1566 C C . LYS A 1 204 ? 0.905 -32.736 4.046 1.00 61.50 ? 202 LYS A C 1 ATOM 1567 O O . LYS A 1 204 ? 0.965 -31.759 3.297 1.00 61.76 ? 202 LYS A O 1 ATOM 1568 C CB . LYS A 1 204 ? 2.593 -34.432 3.312 1.00 59.95 ? 202 LYS A CB 1 ATOM 1569 C CG . LYS A 1 204 ? 3.522 -33.802 4.318 1.00 64.28 ? 202 LYS A CG 1 ATOM 1570 C CD . LYS A 1 204 ? 4.905 -33.585 3.697 1.00 68.84 ? 202 LYS A CD 1 ATOM 1571 C CE . LYS A 1 204 ? 5.927 -33.187 4.750 1.00 74.35 ? 202 LYS A CE 1 ATOM 1572 N NZ . LYS A 1 204 ? 6.893 -32.171 4.249 1.00 79.00 ? 202 LYS A NZ 1 ATOM 1573 N N . LEU A 1 205 ? 0.645 -32.660 5.347 1.00 63.80 ? 203 LEU A N 1 ATOM 1574 C CA . LEU A 1 205 ? 0.454 -31.395 6.056 1.00 66.13 ? 203 LEU A CA 1 ATOM 1575 C C . LEU A 1 205 ? 1.631 -31.153 6.997 1.00 68.80 ? 203 LEU A C 1 ATOM 1576 O O . LEU A 1 205 ? 1.898 -31.946 7.899 1.00 68.76 ? 203 LEU A O 1 ATOM 1577 C CB . LEU A 1 205 ? -0.865 -31.433 6.822 1.00 66.29 ? 203 LEU A CB 1 ATOM 1578 C CG . LEU A 1 205 ? -1.367 -30.099 7.361 1.00 70.63 ? 203 LEU A CG 1 ATOM 1579 C CD1 . LEU A 1 205 ? -1.473 -29.072 6.250 1.00 71.23 ? 203 LEU A CD1 1 ATOM 1580 C CD2 . LEU A 1 205 ? -2.710 -30.292 8.046 1.00 72.22 ? 203 LEU A CD2 1 ATOM 1581 N N . GLN A 1 206 ? 2.326 -30.042 6.772 1.00 71.88 ? 204 GLN A N 1 ATOM 1582 C CA . GLN A 1 206 ? 3.686 -29.840 7.325 1.00 75.26 ? 204 GLN A CA 1 ATOM 1583 C C . GLN A 1 206 ? 3.761 -29.381 8.778 1.00 78.35 ? 204 GLN A C 1 ATOM 1584 O O . GLN A 1 206 ? 4.300 -30.085 9.632 1.00 80.01 ? 204 GLN A O 1 ATOM 1585 C CB . GLN A 1 206 ? 4.526 -28.902 6.445 1.00 77.32 ? 204 GLN A CB 1 ATOM 1586 C CG . GLN A 1 206 ? 5.262 -29.654 5.339 1.00 77.60 ? 204 GLN A CG 1 ATOM 1587 C CD . GLN A 1 206 ? 6.418 -28.861 4.752 1.00 83.43 ? 204 GLN A CD 1 ATOM 1588 O OE1 . GLN A 1 206 ? 6.410 -27.629 4.762 1.00 88.45 ? 204 GLN A OE1 1 ATOM 1589 N NE2 . GLN A 1 206 ? 7.420 -29.566 4.235 1.00 83.94 ? 204 GLN A NE2 1 ATOM 1590 N N . THR A 1 207 ? 3.272 -28.183 9.050 1.00 79.87 ? 205 THR A N 1 ATOM 1591 C CA . THR A 1 207 ? 3.297 -27.663 10.419 1.00 83.13 ? 205 THR A CA 1 ATOM 1592 C C . THR A 1 207 ? 1.888 -27.426 10.927 1.00 82.91 ? 205 THR A C 1 ATOM 1593 O O . THR A 1 207 ? 1.294 -26.363 10.721 1.00 84.53 ? 205 THR A O 1 ATOM 1594 C CB . THR A 1 207 ? 4.140 -26.385 10.534 1.00 87.26 ? 205 THR A CB 1 ATOM 1595 O OG1 . THR A 1 207 ? 4.004 -25.605 9.340 1.00 90.01 ? 205 THR A OG1 1 ATOM 1596 C CG2 . THR A 1 207 ? 5.609 -26.740 10.732 1.00 88.21 ? 205 THR A CG2 1 ATOM 1597 N N . VAL A 1 208 ? 1.376 -28.444 11.605 1.00 81.31 ? 206 VAL A N 1 ATOM 1598 C CA . VAL A 1 208 ? -0.021 -28.482 12.035 1.00 80.88 ? 206 VAL A CA 1 ATOM 1599 C C . VAL A 1 208 ? -0.275 -27.554 13.203 1.00 84.40 ? 206 VAL A C 1 ATOM 1600 O O . VAL A 1 208 ? 0.457 -27.533 14.193 1.00 86.27 ? 206 VAL A O 1 ATOM 1601 C CB . VAL A 1 208 ? -0.465 -29.907 12.407 1.00 78.52 ? 206 VAL A CB 1 ATOM 1602 C CG1 . VAL A 1 208 ? -1.862 -29.892 12.990 1.00 80.35 ? 206 VAL A CG1 1 ATOM 1603 C CG2 . VAL A 1 208 ? -0.409 -30.803 11.187 1.00 75.48 ? 206 VAL A CG2 1 ATOM 1604 N N . LYS A 1 209 ? -1.343 -26.786 13.057 1.00 85.69 ? 207 LYS A N 1 ATOM 1605 C CA . LYS A 1 209 ? -1.784 -25.845 14.074 1.00 89.97 ? 207 LYS A CA 1 ATOM 1606 C C . LYS A 1 209 ? -3.146 -26.252 14.596 1.00 90.14 ? 207 LYS A C 1 ATOM 1607 O O . LYS A 1 209 ? -3.918 -26.930 13.919 1.00 87.72 ? 207 LYS A O 1 ATOM 1608 C CB . LYS A 1 209 ? -1.839 -24.432 13.498 1.00 92.55 ? 207 LYS A CB 1 ATOM 1609 C CG . LYS A 1 209 ? -0.599 -24.059 12.699 1.00 93.49 ? 207 LYS A CG 1 ATOM 1610 C CD . LYS A 1 209 ? -0.570 -22.584 12.350 1.00 98.52 ? 207 LYS A CD 1 ATOM 1611 C CE . LYS A 1 209 ? 0.648 -22.241 11.503 1.00 99.70 ? 207 LYS A CE 1 ATOM 1612 N NZ . LYS A 1 209 ? 0.857 -20.767 11.384 1.00 105.43 ? 207 LYS A NZ 1 ATOM 1613 N N . GLU A 1 210 ? -3.427 -25.819 15.816 1.00 93.18 ? 208 GLU A N 1 ATOM 1614 C CA . GLU A 1 210 ? -4.634 -26.241 16.532 1.00 94.07 ? 208 GLU A CA 1 ATOM 1615 C C . GLU A 1 210 ? -5.893 -26.064 15.696 1.00 93.13 ? 208 GLU A C 1 ATOM 1616 O O . GLU A 1 210 ? -6.846 -26.833 15.813 1.00 92.41 ? 208 GLU A O 1 ATOM 1617 C CB . GLU A 1 210 ? -4.781 -25.490 17.863 1.00 98.95 ? 208 GLU A CB 1 ATOM 1618 C CG . GLU A 1 210 ? -3.774 -25.928 18.920 1.00 101.36 ? 208 GLU A CG 1 ATOM 1619 C CD . GLU A 1 210 ? -4.191 -25.559 20.333 1.00 107.31 ? 208 GLU A CD 1 ATOM 1620 O OE1 . GLU A 1 210 ? -4.732 -24.449 20.528 1.00 112.58 ? 208 GLU A OE1 1 ATOM 1621 O OE2 . GLU A 1 210 ? -3.972 -26.380 21.251 1.00 107.95 ? 208 GLU A OE2 1 ATOM 1622 N N . SER A 1 211 ? -5.870 -25.056 14.837 1.00 93.52 ? 209 SER A N 1 ATOM 1623 C CA . SER A 1 211 ? -7.052 -24.666 14.062 1.00 94.14 ? 209 SER A CA 1 ATOM 1624 C C . SER A 1 211 ? -7.269 -25.561 12.848 1.00 89.56 ? 209 SER A C 1 ATOM 1625 O O . SER A 1 211 ? -8.291 -25.464 12.169 1.00 90.03 ? 209 SER A O 1 ATOM 1626 C CB . SER A 1 211 ? -6.956 -23.198 13.626 1.00 97.38 ? 209 SER A CB 1 ATOM 1627 O OG . SER A 1 211 ? -5.654 -22.878 13.170 1.00 97.16 ? 209 SER A OG 1 ATOM 1628 N N . ASP A 1 212 ? -6.310 -26.439 12.590 1.00 85.49 ? 210 ASP A N 1 ATOM 1629 C CA . ASP A 1 212 ? -6.381 -27.328 11.418 1.00 81.63 ? 210 ASP A CA 1 ATOM 1630 C C . ASP A 1 212 ? -7.458 -28.395 11.596 1.00 80.04 ? 210 ASP A C 1 ATOM 1631 O O . ASP A 1 212 ? -7.953 -28.969 10.623 1.00 77.71 ? 210 ASP A O 1 ATOM 1632 C CB . ASP A 1 212 ? -5.028 -27.986 11.129 1.00 79.51 ? 210 ASP A CB 1 ATOM 1633 C CG . ASP A 1 212 ? -4.001 -26.998 10.597 1.00 82.69 ? 210 ASP A CG 1 ATOM 1634 O OD1 . ASP A 1 212 ? -4.376 -26.130 9.780 1.00 85.68 ? 210 ASP A OD1 1 ATOM 1635 O OD2 . ASP A 1 212 ? -2.817 -27.093 10.991 1.00 85.33 ? 210 ASP A OD2 1 ATOM 1636 N N . GLN A 1 213 ? -7.811 -28.639 12.853 1.00 81.22 ? 211 GLN A N 1 ATOM 1637 C CA . GLN A 1 213 ? -8.860 -29.617 13.209 1.00 80.80 ? 211 GLN A CA 1 ATOM 1638 C C . GLN A 1 213 ? -10.091 -29.502 12.336 1.00 80.67 ? 211 GLN A C 1 ATOM 1639 O O . GLN A 1 213 ? -10.627 -28.419 12.114 1.00 83.74 ? 211 GLN A O 1 ATOM 1640 C CB . GLN A 1 213 ? -9.305 -29.477 14.670 1.00 84.72 ? 211 GLN A CB 1 ATOM 1641 C CG . GLN A 1 213 ? -8.521 -30.329 15.642 1.00 85.70 ? 211 GLN A CG 1 ATOM 1642 C CD . GLN A 1 213 ? -9.184 -30.404 17.011 1.00 91.08 ? 211 GLN A CD 1 ATOM 1643 O OE1 . GLN A 1 213 ? -10.367 -30.089 17.160 1.00 94.47 ? 211 GLN A OE1 1 ATOM 1644 N NE2 . GLN A 1 213 ? -8.423 -30.823 18.016 1.00 92.67 ? 211 GLN A NE2 1 ATOM 1645 N N . GLY A 1 214 ? -10.546 -30.651 11.870 1.00 77.92 ? 212 GLY A N 1 ATOM 1646 C CA . GLY A 1 214 ? -11.777 -30.732 11.087 1.00 78.36 ? 212 GLY A CA 1 ATOM 1647 C C . GLY A 1 214 ? -11.845 -31.953 10.202 1.00 74.94 ? 212 GLY A C 1 ATOM 1648 O O . GLY A 1 214 ? -11.143 -32.937 10.406 1.00 72.36 ? 212 GLY A O 1 ATOM 1649 N N . ILE A 1 215 ? -12.700 -31.857 9.201 1.00 75.31 ? 213 ILE A N 1 ATOM 1650 C CA . ILE A 1 215 ? -12.945 -32.957 8.284 1.00 73.34 ? 213 ILE A CA 1 ATOM 1651 C C . ILE A 1 215 ? -12.363 -32.635 6.918 1.00 71.26 ? 213 ILE A C 1 ATOM 1652 O O . ILE A 1 215 ? -12.727 -31.646 6.278 1.00 72.45 ? 213 ILE A O 1 ATOM 1653 C CB . ILE A 1 215 ? -14.451 -33.252 8.158 1.00 76.24 ? 213 ILE A CB 1 ATOM 1654 C CG1 . ILE A 1 215 ? -15.072 -33.444 9.540 1.00 80.64 ? 213 ILE A CG1 1 ATOM 1655 C CG2 . ILE A 1 215 ? -14.683 -34.489 7.319 1.00 74.43 ? 213 ILE A CG2 1 ATOM 1656 C CD1 . ILE A 1 215 ? -16.588 -33.481 9.530 1.00 88.05 ? 213 ILE A CD1 1 ATOM 1657 N N . TYR A 1 216 ? -11.441 -33.485 6.490 1.00 68.38 ? 214 TYR A N 1 ATOM 1658 C CA . TYR A 1 216 ? -10.804 -33.347 5.183 1.00 66.03 ? 214 TYR A CA 1 ATOM 1659 C C . TYR A 1 216 ? -11.404 -34.341 4.218 1.00 65.95 ? 214 TYR A C 1 ATOM 1660 O O . TYR A 1 216 ? -11.496 -35.535 4.505 1.00 66.35 ? 214 TYR A O 1 ATOM 1661 C CB . TYR A 1 216 ? -9.298 -33.562 5.290 1.00 63.28 ? 214 TYR A CB 1 ATOM 1662 C CG . TYR A 1 216 ? -8.611 -32.510 6.117 1.00 63.99 ? 214 TYR A CG 1 ATOM 1663 C CD1 . TYR A 1 216 ? -8.737 -32.502 7.493 1.00 67.87 ? 214 TYR A CD1 1 ATOM 1664 C CD2 . TYR A 1 216 ? -7.849 -31.519 5.523 1.00 63.49 ? 214 TYR A CD2 1 ATOM 1665 C CE1 . TYR A 1 216 ? -8.118 -31.541 8.256 1.00 70.41 ? 214 TYR A CE1 1 ATOM 1666 C CE2 . TYR A 1 216 ? -7.224 -30.553 6.279 1.00 65.68 ? 214 TYR A CE2 1 ATOM 1667 C CZ . TYR A 1 216 ? -7.361 -30.570 7.645 1.00 68.48 ? 214 TYR A CZ 1 ATOM 1668 O OH . TYR A 1 216 ? -6.745 -29.609 8.409 1.00 73.32 ? 214 TYR A OH 1 ATOM 1669 N N . THR A 1 217 ? -11.822 -33.828 3.071 1.00 66.61 ? 215 THR A N 1 ATOM 1670 C CA . THR A 1 217 ? -12.495 -34.640 2.067 1.00 66.89 ? 215 THR A CA 1 ATOM 1671 C C . THR A 1 217 ? -11.726 -34.640 0.766 1.00 65.61 ? 215 THR A C 1 ATOM 1672 O O . THR A 1 217 ? -11.450 -33.593 0.182 1.00 66.93 ? 215 THR A O 1 ATOM 1673 C CB . THR A 1 217 ? -13.922 -34.140 1.804 1.00 70.25 ? 215 THR A CB 1 ATOM 1674 O OG1 . THR A 1 217 ? -14.473 -33.584 3.005 1.00 73.09 ? 215 THR A OG1 1 ATOM 1675 C CG2 . THR A 1 217 ? -14.797 -35.279 1.322 1.00 70.61 ? 215 THR A CG2 1 ATOM 1676 N N . CYS A 1 218 ? -11.374 -35.841 0.328 1.00 65.02 ? 216 CYS A N 1 ATOM 1677 C CA . CYS A 1 218 ? -10.641 -36.027 -0.920 1.00 63.64 ? 216 CYS A CA 1 ATOM 1678 C C . CYS A 1 218 ? -11.550 -36.506 -2.026 1.00 63.97 ? 216 CYS A C 1 ATOM 1679 O O . CYS A 1 218 ? -12.149 -37.582 -1.949 1.00 64.27 ? 216 CYS A O 1 ATOM 1680 C CB . CYS A 1 218 ? -9.506 -37.033 -0.754 1.00 61.48 ? 216 CYS A CB 1 ATOM 1681 S SG . CYS A 1 218 ? -8.666 -37.390 -2.331 1.00 64.83 ? 216 CYS A SG 1 ATOM 1682 N N . SER A 1 219 ? -11.633 -35.685 -3.060 1.00 63.90 ? 217 SER A N 1 ATOM 1683 C CA . SER A 1 219 ? -12.360 -36.034 -4.268 1.00 64.43 ? 217 SER A CA 1 ATOM 1684 C C . SER A 1 219 ? -11.365 -36.345 -5.362 1.00 60.79 ? 217 SER A C 1 ATOM 1685 O O . SER A 1 219 ? -10.673 -35.459 -5.862 1.00 60.61 ? 217 SER A O 1 ATOM 1686 C CB . SER A 1 219 ? -13.271 -34.887 -4.694 1.00 67.94 ? 217 SER A CB 1 ATOM 1687 O OG . SER A 1 219 ? -14.264 -34.651 -3.710 1.00 72.83 ? 217 SER A OG 1 ATOM 1688 N N . ILE A 1 220 ? -11.309 -37.623 -5.714 1.00 58.47 ? 218 ILE A N 1 ATOM 1689 C CA . ILE A 1 220 ? -10.356 -38.140 -6.690 1.00 55.31 ? 218 ILE A CA 1 ATOM 1690 C C . ILE A 1 220 ? -11.104 -38.664 -7.909 1.00 56.05 ? 218 ILE A C 1 ATOM 1691 O O . ILE A 1 220 ? -11.982 -39.521 -7.804 1.00 57.32 ? 218 ILE A O 1 ATOM 1692 C CB . ILE A 1 220 ? -9.475 -39.238 -6.061 1.00 53.61 ? 218 ILE A CB 1 ATOM 1693 C CG1 . ILE A 1 220 ? -8.246 -39.485 -6.915 1.00 51.02 ? 218 ILE A CG1 1 ATOM 1694 C CG2 . ILE A 1 220 ? -10.247 -40.532 -5.872 1.00 51.78 ? 218 ILE A CG2 1 ATOM 1695 C CD1 . ILE A 1 220 ? -7.306 -40.472 -6.292 1.00 52.21 ? 218 ILE A CD1 1 ATOM 1696 N N . TYR A 1 221 ? -10.752 -38.113 -9.064 1.00 55.43 ? 219 TYR A N 1 ATOM 1697 C CA . TYR A 1 221 ? -11.523 -38.322 -10.293 1.00 56.74 ? 219 TYR A CA 1 ATOM 1698 C C . TYR A 1 221 ? -10.821 -39.147 -11.349 1.00 55.21 ? 219 TYR A C 1 ATOM 1699 O O . TYR A 1 221 ? -9.639 -38.969 -11.635 1.00 53.56 ? 219 TYR A O 1 ATOM 1700 C CB . TYR A 1 221 ? -11.891 -36.976 -10.916 1.00 58.64 ? 219 TYR A CB 1 ATOM 1701 C CG . TYR A 1 221 ? -12.768 -36.102 -10.055 1.00 60.46 ? 219 TYR A CG 1 ATOM 1702 C CD1 . TYR A 1 221 ? -12.229 -35.354 -9.018 1.00 59.10 ? 219 TYR A CD1 1 ATOM 1703 C CD2 . TYR A 1 221 ? -14.131 -36.011 -10.292 1.00 63.00 ? 219 TYR A CD2 1 ATOM 1704 C CE1 . TYR A 1 221 ? -13.026 -34.551 -8.231 1.00 62.53 ? 219 TYR A CE1 1 ATOM 1705 C CE2 . TYR A 1 221 ? -14.936 -35.212 -9.513 1.00 67.55 ? 219 TYR A CE2 1 ATOM 1706 C CZ . TYR A 1 221 ? -14.379 -34.480 -8.485 1.00 68.54 ? 219 TYR A CZ 1 ATOM 1707 O OH . TYR A 1 221 ? -15.184 -33.677 -7.705 1.00 77.96 ? 219 TYR A OH 1 ATOM 1708 N N . VAL A 1 222 ? -11.597 -40.046 -11.930 1.00 56.62 ? 220 VAL A N 1 ATOM 1709 C CA . VAL A 1 222 ? -11.203 -40.761 -13.137 1.00 56.78 ? 220 VAL A CA 1 ATOM 1710 C C . VAL A 1 222 ? -12.218 -40.429 -14.205 1.00 60.28 ? 220 VAL A C 1 ATOM 1711 O O . VAL A 1 222 ? -13.233 -41.110 -14.357 1.00 63.88 ? 220 VAL A O 1 ATOM 1712 C CB . VAL A 1 222 ? -11.150 -42.288 -12.913 1.00 56.64 ? 220 VAL A CB 1 ATOM 1713 C CG1 . VAL A 1 222 ? -10.943 -43.026 -14.233 1.00 54.85 ? 220 VAL A CG1 1 ATOM 1714 C CG2 . VAL A 1 222 ? -10.053 -42.638 -11.922 1.00 54.10 ? 220 VAL A CG2 1 ATOM 1715 N N . GLY A 1 223 ? -11.938 -39.354 -14.928 1.00 60.54 ? 221 GLY A N 1 ATOM 1716 C CA . GLY A 1 223 ? -12.908 -38.763 -15.840 1.00 63.98 ? 221 GLY A CA 1 ATOM 1717 C C . GLY A 1 223 ? -13.980 -38.051 -15.044 1.00 67.03 ? 221 GLY A C 1 ATOM 1718 O O . GLY A 1 223 ? -13.689 -37.343 -14.077 1.00 65.99 ? 221 GLY A O 1 ATOM 1719 N N . LYS A 1 224 ? -15.225 -38.257 -15.452 1.00 71.03 ? 222 LYS A N 1 ATOM 1720 C CA . LYS A 1 224 ? -16.373 -37.665 -14.758 1.00 75.16 ? 222 LYS A CA 1 ATOM 1721 C C . LYS A 1 224 ? -16.570 -38.341 -13.409 1.00 74.51 ? 222 LYS A C 1 ATOM 1722 O O . LYS A 1 224 ? -17.169 -37.774 -12.496 1.00 76.43 ? 222 LYS A O 1 ATOM 1723 C CB . LYS A 1 224 ? -17.658 -37.790 -15.594 1.00 80.05 ? 222 LYS A CB 1 ATOM 1724 C CG . LYS A 1 224 ? -17.632 -37.001 -16.900 1.00 84.13 ? 222 LYS A CG 1 ATOM 1725 C CD . LYS A 1 224 ? -18.880 -37.247 -17.743 1.00 89.97 ? 222 LYS A CD 1 ATOM 1726 C CE . LYS A 1 224 ? -20.086 -36.520 -17.174 1.00 95.04 ? 222 LYS A CE 1 ATOM 1727 N NZ . LYS A 1 224 ? -21.264 -36.573 -18.088 1.00 99.76 ? 222 LYS A NZ 1 ATOM 1728 N N . LEU A 1 225 ? -16.038 -39.552 -13.291 1.00 72.51 ? 223 LEU A N 1 ATOM 1729 C CA . LEU A 1 225 ? -16.322 -40.424 -12.133 1.00 72.81 ? 223 LEU A CA 1 ATOM 1730 C C . LEU A 1 225 ? -15.480 -40.083 -10.924 1.00 69.77 ? 223 LEU A C 1 ATOM 1731 O O . LEU A 1 225 ? -14.256 -40.188 -10.955 1.00 66.63 ? 223 LEU A O 1 ATOM 1732 C CB . LEU A 1 225 ? -16.109 -41.897 -12.488 1.00 72.35 ? 223 LEU A CB 1 ATOM 1733 C CG . LEU A 1 225 ? -16.949 -42.430 -13.650 1.00 75.92 ? 223 LEU A CG 1 ATOM 1734 C CD1 . LEU A 1 225 ? -16.309 -43.681 -14.222 1.00 75.89 ? 223 LEU A CD1 1 ATOM 1735 C CD2 . LEU A 1 225 ? -18.385 -42.697 -13.211 1.00 77.47 ? 223 LEU A CD2 1 ATOM 1736 N N . GLU A 1 226 ? -16.159 -39.696 -9.852 1.00 71.88 ? 224 GLU A N 1 ATOM 1737 C CA . GLU A 1 226 ? -15.487 -39.270 -8.628 1.00 70.71 ? 224 GLU A CA 1 ATOM 1738 C C . GLU A 1 226 ? -15.609 -40.295 -7.516 1.00 70.36 ? 224 GLU A C 1 ATOM 1739 O O . GLU A 1 226 ? -16.656 -40.907 -7.299 1.00 72.30 ? 224 GLU A O 1 ATOM 1740 C CB . GLU A 1 226 ? -15.998 -37.900 -8.156 1.00 73.38 ? 224 GLU A CB 1 ATOM 1741 C CG . GLU A 1 226 ? -17.183 -37.936 -7.200 1.00 81.60 ? 224 GLU A CG 1 ATOM 1742 C CD . GLU A 1 226 ? -17.336 -36.645 -6.400 1.00 88.35 ? 224 GLU A CD 1 ATOM 1743 O OE1 . GLU A 1 226 ? -16.539 -36.420 -5.458 1.00 87.46 ? 224 GLU A OE1 1 ATOM 1744 O OE2 . GLU A 1 226 ? -18.267 -35.864 -6.701 1.00 94.36 ? 224 GLU A OE2 1 ATOM 1745 N N . SER A 1 227 ? -14.484 -40.501 -6.853 1.00 67.94 ? 225 SER A N 1 ATOM 1746 C CA . SER A 1 227 ? -14.415 -41.309 -5.649 1.00 68.47 ? 225 SER A CA 1 ATOM 1747 C C . SER A 1 227 ? -14.015 -40.395 -4.514 1.00 68.07 ? 225 SER A C 1 ATOM 1748 O O . SER A 1 227 ? -13.124 -39.557 -4.653 1.00 66.25 ? 225 SER A O 1 ATOM 1749 C CB . SER A 1 227 ? -13.400 -42.443 -5.797 1.00 66.45 ? 225 SER A CB 1 ATOM 1750 O OG . SER A 1 227 ? -13.908 -43.491 -6.608 1.00 69.06 ? 225 SER A OG 1 ATOM 1751 N N . ARG A 1 228 ? -14.686 -40.570 -3.389 1.00 70.70 ? 226 ARG A N 1 ATOM 1752 C CA . ARG A 1 228 ? -14.566 -39.643 -2.279 1.00 71.21 ? 226 ARG A CA 1 ATOM 1753 C C . ARG A 1 228 ? -14.213 -40.345 -0.982 1.00 70.39 ? 226 ARG A C 1 ATOM 1754 O O . ARG A 1 228 ? -14.804 -41.360 -0.613 1.00 72.04 ? 226 ARG A O 1 ATOM 1755 C CB . ARG A 1 228 ? -15.877 -38.875 -2.124 1.00 75.48 ? 226 ARG A CB 1 ATOM 1756 C CG . ARG A 1 228 ? -15.745 -37.579 -1.359 1.00 78.94 ? 226 ARG A CG 1 ATOM 1757 C CD . ARG A 1 228 ? -17.095 -36.912 -1.195 1.00 86.66 ? 226 ARG A CD 1 ATOM 1758 N NE . ARG A 1 228 ? -17.739 -36.651 -2.479 1.00 91.85 ? 226 ARG A NE 1 ATOM 1759 C CZ . ARG A 1 228 ? -19.054 -36.539 -2.644 1.00 100.77 ? 226 ARG A CZ 1 ATOM 1760 N NH1 . ARG A 1 228 ? -19.874 -36.676 -1.606 1.00 104.02 ? 226 ARG A NH1 1 ATOM 1761 N NH2 . ARG A 1 228 ? -19.554 -36.299 -3.850 1.00 104.14 ? 226 ARG A NH2 1 ATOM 1762 N N . LYS A 1 229 ? -13.222 -39.780 -0.310 1.00 67.90 ? 227 LYS A N 1 ATOM 1763 C CA . LYS A 1 229 ? -12.794 -40.247 1.002 1.00 67.45 ? 227 LYS A CA 1 ATOM 1764 C C . LYS A 1 229 ? -12.998 -39.134 2.007 1.00 68.15 ? 227 LYS A C 1 ATOM 1765 O O . LYS A 1 229 ? -13.145 -37.973 1.641 1.00 68.79 ? 227 LYS A O 1 ATOM 1766 C CB . LYS A 1 229 ? -11.319 -40.639 0.974 1.00 64.37 ? 227 LYS A CB 1 ATOM 1767 C CG . LYS A 1 229 ? -10.935 -41.697 1.993 1.00 65.93 ? 227 LYS A CG 1 ATOM 1768 C CD . LYS A 1 229 ? -9.444 -41.659 2.309 1.00 66.44 ? 227 LYS A CD 1 ATOM 1769 C CE . LYS A 1 229 ? -9.039 -42.830 3.200 1.00 70.05 ? 227 LYS A CE 1 ATOM 1770 N NZ . LYS A 1 229 ? -7.703 -42.628 3.839 1.00 71.71 ? 227 LYS A NZ 1 ATOM 1771 N N . THR A 1 230 ? -12.995 -39.503 3.276 1.00 68.99 ? 228 THR A N 1 ATOM 1772 C CA . THR A 1 230 ? -13.147 -38.525 4.353 1.00 70.75 ? 228 THR A CA 1 ATOM 1773 C C . THR A 1 230 ? -12.324 -38.869 5.583 1.00 69.98 ? 228 THR A C 1 ATOM 1774 O O . THR A 1 230 ? -12.359 -39.991 6.086 1.00 70.62 ? 228 THR A O 1 ATOM 1775 C CB . THR A 1 230 ? -14.615 -38.370 4.767 1.00 75.11 ? 228 THR A CB 1 ATOM 1776 O OG1 . THR A 1 230 ? -15.450 -38.443 3.606 1.00 77.50 ? 228 THR A OG1 1 ATOM 1777 C CG2 . THR A 1 230 ? -14.834 -37.035 5.462 1.00 76.88 ? 228 THR A CG2 1 ATOM 1778 N N . ILE A 1 231 ? -11.592 -37.871 6.056 1.00 68.80 ? 229 ILE A N 1 ATOM 1779 C CA . ILE A 1 231 ? -10.670 -38.036 7.172 1.00 68.39 ? 229 ILE A CA 1 ATOM 1780 C C . ILE A 1 231 ? -10.844 -36.960 8.236 1.00 69.74 ? 229 ILE A C 1 ATOM 1781 O O . ILE A 1 231 ? -10.776 -35.760 7.960 1.00 69.47 ? 229 ILE A O 1 ATOM 1782 C CB . ILE A 1 231 ? -9.213 -38.022 6.669 1.00 65.78 ? 229 ILE A CB 1 ATOM 1783 C CG1 . ILE A 1 231 ? -8.921 -39.306 5.886 1.00 66.09 ? 229 ILE A CG1 1 ATOM 1784 C CG2 . ILE A 1 231 ? -8.239 -37.862 7.831 1.00 66.17 ? 229 ILE A CG2 1 ATOM 1785 C CD1 . ILE A 1 231 ? -7.568 -39.308 5.183 1.00 65.78 ? 229 ILE A CD1 1 ATOM 1786 N N . VAL A 1 232 ? -11.070 -37.424 9.456 1.00 70.98 ? 230 VAL A N 1 ATOM 1787 C CA . VAL A 1 232 ? -11.195 -36.546 10.617 1.00 72.79 ? 230 VAL A CA 1 ATOM 1788 C C . VAL A 1 232 ? -9.845 -36.353 11.278 1.00 71.56 ? 230 VAL A C 1 ATOM 1789 O O . VAL A 1 232 ? -9.167 -37.307 11.649 1.00 71.98 ? 230 VAL A O 1 ATOM 1790 C CB . VAL A 1 232 ? -12.190 -37.101 11.651 1.00 76.14 ? 230 VAL A CB 1 ATOM 1791 C CG1 . VAL A 1 232 ? -12.100 -36.316 12.946 1.00 77.77 ? 230 VAL A CG1 1 ATOM 1792 C CG2 . VAL A 1 232 ? -13.602 -37.064 11.093 1.00 77.54 ? 230 VAL A CG2 1 ATOM 1793 N N . LEU A 1 233 ? -9.477 -35.092 11.428 1.00 71.58 ? 231 LEU A N 1 ATOM 1794 C CA . LEU A 1 233 ? -8.163 -34.715 11.925 1.00 70.62 ? 231 LEU A CA 1 ATOM 1795 C C . LEU A 1 233 ? -8.234 -34.179 13.344 1.00 74.16 ? 231 LEU A C 1 ATOM 1796 O O . LEU A 1 233 ? -8.874 -33.163 13.616 1.00 76.78 ? 231 LEU A O 1 ATOM 1797 C CB . LEU A 1 233 ? -7.544 -33.672 10.997 1.00 68.82 ? 231 LEU A CB 1 ATOM 1798 C CG . LEU A 1 233 ? -6.067 -33.373 11.220 1.00 67.88 ? 231 LEU A CG 1 ATOM 1799 C CD1 . LEU A 1 233 ? -5.289 -34.666 11.361 1.00 67.47 ? 231 LEU A CD1 1 ATOM 1800 C CD2 . LEU A 1 233 ? -5.535 -32.544 10.073 1.00 67.35 ? 231 LEU A CD2 1 ATOM 1801 N N . HIS A 1 234 ? -7.560 -34.885 14.241 1.00 75.18 ? 232 HIS A N 1 ATOM 1802 C CA . HIS A 1 234 ? -7.461 -34.483 15.641 1.00 78.46 ? 232 HIS A CA 1 ATOM 1803 C C . HIS A 1 234 ? -6.096 -33.895 15.946 1.00 78.58 ? 232 HIS A C 1 ATOM 1804 O O . HIS A 1 234 ? -5.070 -34.547 15.774 1.00 78.09 ? 232 HIS A O 1 ATOM 1805 C CB . HIS A 1 234 ? -7.706 -35.675 16.567 1.00 80.09 ? 232 HIS A CB 1 ATOM 1806 C CG . HIS A 1 234 ? -9.005 -36.374 16.325 1.00 82.61 ? 232 HIS A CG 1 ATOM 1807 N ND1 . HIS A 1 234 ? -9.202 -37.703 16.632 1.00 85.28 ? 232 HIS A ND1 1 ATOM 1808 C CD2 . HIS A 1 234 ? -10.172 -35.934 15.800 1.00 85.68 ? 232 HIS A CD2 1 ATOM 1809 C CE1 . HIS A 1 234 ? -10.436 -38.050 16.315 1.00 86.75 ? 232 HIS A CE1 1 ATOM 1810 N NE2 . HIS A 1 234 ? -11.047 -36.994 15.809 1.00 86.99 ? 232 HIS A NE2 1 ATOM 1811 N N . VAL A 1 235 ? -6.102 -32.657 16.413 1.00 80.53 ? 233 VAL A N 1 ATOM 1812 C CA . VAL A 1 235 ? -4.875 -31.960 16.787 1.00 81.32 ? 233 VAL A CA 1 ATOM 1813 C C . VAL A 1 235 ? -4.740 -31.920 18.301 1.00 85.62 ? 233 VAL A C 1 ATOM 1814 O O . VAL A 1 235 ? -5.723 -31.761 19.020 1.00 88.17 ? 233 VAL A O 1 ATOM 1815 C CB . VAL A 1 235 ? -4.843 -30.529 16.226 1.00 81.72 ? 233 VAL A CB 1 ATOM 1816 C CG1 . VAL A 1 235 ? -3.448 -29.947 16.350 1.00 82.13 ? 233 VAL A CG1 1 ATOM 1817 C CG2 . VAL A 1 235 ? -5.295 -30.517 14.774 1.00 78.60 ? 233 VAL A CG2 1 ATOM 1818 N N . VAL A 1 236 ? -3.507 -32.069 18.770 1.00 87.22 ? 234 VAL A N 1 ATOM 1819 C CA . VAL A 1 236 ? -3.236 -32.179 20.205 1.00 91.48 ? 234 VAL A CA 1 ATOM 1820 C C . VAL A 1 236 ? -2.009 -31.406 20.665 1.00 94.81 ? 234 VAL A C 1 ATOM 1821 O O . VAL A 1 236 ? -0.948 -31.446 20.047 1.00 93.28 ? 234 VAL A O 1 ATOM 1822 C CB . VAL A 1 236 ? -3.083 -33.654 20.613 1.00 91.27 ? 234 VAL A CB 1 ATOM 1823 C CG1 . VAL A 1 236 ? -4.301 -34.441 20.164 1.00 89.25 ? 234 VAL A CG1 1 ATOM 1824 C CG2 . VAL A 1 236 ? -1.814 -34.246 20.017 1.00 89.37 ? 234 VAL A CG2 1 ATOM 1825 N N . GLN A 1 237 ? -2.187 -30.703 21.775 1.00 100.79 ? 235 GLN A N 1 ATOM 1826 C CA . GLN A 1 237 ? -1.153 -29.825 22.333 1.00 105.18 ? 235 GLN A CA 1 ATOM 1827 C C . GLN A 1 237 ? -0.367 -30.526 23.426 1.00 108.71 ? 235 GLN A C 1 ATOM 1828 O O . GLN A 1 237 ? -0.913 -30.912 24.463 1.00 111.43 ? 235 GLN A O 1 ATOM 1829 C CB . GLN A 1 237 ? -1.777 -28.535 22.887 1.00 108.42 ? 235 GLN A CB 1 ATOM 1830 C CG . GLN A 1 237 ? -0.760 -27.464 23.278 1.00 112.88 ? 235 GLN A CG 1 ATOM 1831 C CD . GLN A 1 237 ? -1.366 -26.343 24.118 1.00 119.70 ? 235 GLN A CD 1 ATOM 1832 O OE1 . GLN A 1 237 ? -2.241 -26.579 24.953 1.00 123.24 ? 235 GLN A OE1 1 ATOM 1833 N NE2 . GLN A 1 237 ? -0.894 -25.118 23.903 1.00 121.15 ? 235 GLN A NE2 1 ATOM 1834 N N . ASP A 1 238 ? 0.928 -30.680 23.176 1.00 109.41 ? 236 ASP A N 1 ATOM 1835 C CA . ASP A 1 238 ? 1.844 -31.280 24.143 1.00 112.71 ? 236 ASP A CA 1 ATOM 1836 C C . ASP A 1 238 ? 2.976 -30.309 24.476 1.00 115.95 ? 236 ASP A C 1 ATOM 1837 O O . ASP A 1 238 ? 3.964 -30.210 23.747 1.00 115.76 ? 236 ASP A O 1 ATOM 1838 C CB . ASP A 1 238 ? 2.410 -32.597 23.602 1.00 110.67 ? 236 ASP A CB 1 ATOM 1839 C CG . ASP A 1 238 ? 3.171 -33.384 24.656 1.00 114.10 ? 236 ASP A CG 1 ATOM 1840 O OD1 . ASP A 1 238 ? 2.721 -33.426 25.822 1.00 114.00 ? 236 ASP A OD1 1 ATOM 1841 O OD2 . ASP A 1 238 ? 4.223 -33.965 24.313 1.00 115.54 ? 236 ASP A OD2 1 ATOM 1842 N N . TYR B 2 2 ? 13.601 -16.477 -22.653 1.00 99.01 ? 2 TYR L N 1 ATOM 1843 C CA . TYR B 2 2 ? 13.777 -16.845 -21.221 1.00 96.31 ? 2 TYR L CA 1 ATOM 1844 C C . TYR B 2 2 ? 14.207 -18.298 -21.084 1.00 90.38 ? 2 TYR L C 1 ATOM 1845 O O . TYR B 2 2 ? 13.553 -19.218 -21.584 1.00 87.90 ? 2 TYR L O 1 ATOM 1846 C CB . TYR B 2 2 ? 12.477 -16.607 -20.443 1.00 96.70 ? 2 TYR L CB 1 ATOM 1847 C CG . TYR B 2 2 ? 12.586 -16.883 -18.955 1.00 95.68 ? 2 TYR L CG 1 ATOM 1848 C CD1 . TYR B 2 2 ? 13.065 -18.097 -18.487 1.00 92.34 ? 2 TYR L CD1 1 ATOM 1849 C CD2 . TYR B 2 2 ? 12.197 -15.935 -18.020 1.00 100.46 ? 2 TYR L CD2 1 ATOM 1850 C CE1 . TYR B 2 2 ? 13.165 -18.359 -17.139 1.00 93.36 ? 2 TYR L CE1 1 ATOM 1851 C CE2 . TYR B 2 2 ? 12.292 -16.188 -16.662 1.00 100.16 ? 2 TYR L CE2 1 ATOM 1852 C CZ . TYR B 2 2 ? 12.778 -17.406 -16.229 1.00 97.19 ? 2 TYR L CZ 1 ATOM 1853 O OH . TYR B 2 2 ? 12.885 -17.689 -14.883 1.00 97.59 ? 2 TYR L OH 1 ATOM 1854 N N . THR B 2 3 ? 15.322 -18.483 -20.389 1.00 88.26 ? 3 THR L N 1 ATOM 1855 C CA . THR B 2 3 ? 15.863 -19.815 -20.137 1.00 82.19 ? 3 THR L CA 1 ATOM 1856 C C . THR B 2 3 ? 16.381 -19.960 -18.712 1.00 79.67 ? 3 THR L C 1 ATOM 1857 O O . THR B 2 3 ? 16.991 -19.050 -18.155 1.00 82.97 ? 3 THR L O 1 ATOM 1858 C CB . THR B 2 3 ? 17.014 -20.140 -21.108 1.00 82.49 ? 3 THR L CB 1 ATOM 1859 O OG1 . THR B 2 3 ? 16.732 -19.586 -22.397 1.00 87.01 ? 3 THR L OG1 1 ATOM 1860 C CG2 . THR B 2 3 ? 17.194 -21.637 -21.237 1.00 79.63 ? 3 THR L CG2 1 ATOM 1861 N N . LEU B 2 4 ? 16.115 -21.122 -18.135 1.00 74.02 ? 4 LEU L N 1 ATOM 1862 C CA . LEU B 2 4 ? 16.636 -21.473 -16.813 1.00 72.36 ? 4 LEU L CA 1 ATOM 1863 C C . LEU B 2 4 ? 18.112 -21.810 -16.917 1.00 71.29 ? 4 LEU L C 1 ATOM 1864 O O . LEU B 2 4 ? 18.531 -22.580 -17.784 1.00 69.03 ? 4 LEU L O 1 ATOM 1865 C CB . LEU B 2 4 ? 15.877 -22.662 -16.211 1.00 68.87 ? 4 LEU L CB 1 ATOM 1866 C CG . LEU B 2 4 ? 14.423 -22.375 -15.850 1.00 68.57 ? 4 LEU L CG 1 ATOM 1867 C CD1 . LEU B 2 4 ? 13.663 -23.666 -15.617 1.00 62.58 ? 4 LEU L CD1 1 ATOM 1868 C CD2 . LEU B 2 4 ? 14.364 -21.471 -14.628 1.00 72.01 ? 4 LEU L CD2 1 ATOM 1869 N N . THR B 2 5 ? 18.887 -21.230 -16.011 1.00 72.54 ? 5 THR L N 1 ATOM 1870 C CA . THR B 2 5 ? 20.342 -21.382 -16.020 1.00 72.39 ? 5 THR L CA 1 ATOM 1871 C C . THR B 2 5 ? 20.737 -22.823 -15.808 1.00 67.33 ? 5 THR L C 1 ATOM 1872 O O . THR B 2 5 ? 20.250 -23.488 -14.904 1.00 66.25 ? 5 THR L O 1 ATOM 1873 C CB . THR B 2 5 ? 21.022 -20.523 -14.943 1.00 76.47 ? 5 THR L CB 1 ATOM 1874 O OG1 . THR B 2 5 ? 20.423 -19.221 -14.926 1.00 79.76 ? 5 THR L OG1 1 ATOM 1875 C CG2 . THR B 2 5 ? 22.515 -20.397 -15.218 1.00 78.45 ? 5 THR L CG2 1 ATOM 1876 N N . GLN B 2 6 ? 21.638 -23.282 -16.663 1.00 65.73 ? 6 GLN L N 1 ATOM 1877 C CA . GLN B 2 6 ? 22.110 -24.667 -16.645 1.00 62.35 ? 6 GLN L CA 1 ATOM 1878 C C . GLN B 2 6 ? 23.569 -24.746 -17.119 1.00 64.10 ? 6 GLN L C 1 ATOM 1879 O O . GLN B 2 6 ? 23.939 -24.109 -18.108 1.00 65.89 ? 6 GLN L O 1 ATOM 1880 C CB . GLN B 2 6 ? 21.221 -25.514 -17.560 1.00 58.78 ? 6 GLN L CB 1 ATOM 1881 C CG . GLN B 2 6 ? 20.767 -26.832 -16.959 1.00 55.20 ? 6 GLN L CG 1 ATOM 1882 C CD . GLN B 2 6 ? 19.876 -27.630 -17.895 1.00 52.26 ? 6 GLN L CD 1 ATOM 1883 O OE1 . GLN B 2 6 ? 18.987 -27.080 -18.537 1.00 48.92 ? 6 GLN L OE1 1 ATOM 1884 N NE2 . GLN B 2 6 ? 20.112 -28.936 -17.975 1.00 53.07 ? 6 GLN L NE2 1 ATOM 1885 N N . PRO B 2 7 ? 24.408 -25.525 -16.419 1.00 63.37 ? 7 PRO L N 1 ATOM 1886 C CA . PRO B 2 7 ? 25.796 -25.623 -16.867 1.00 65.30 ? 7 PRO L CA 1 ATOM 1887 C C . PRO B 2 7 ? 25.920 -26.270 -18.248 1.00 64.29 ? 7 PRO L C 1 ATOM 1888 O O . PRO B 2 7 ? 25.164 -27.182 -18.580 1.00 61.35 ? 7 PRO L O 1 ATOM 1889 C CB . PRO B 2 7 ? 26.461 -26.494 -15.795 1.00 64.89 ? 7 PRO L CB 1 ATOM 1890 C CG . PRO B 2 7 ? 25.365 -27.213 -15.138 1.00 61.92 ? 7 PRO L CG 1 ATOM 1891 C CD . PRO B 2 7 ? 24.143 -26.355 -15.234 1.00 61.58 ? 7 PRO L CD 1 ATOM 1892 N N . PRO B 2 8 ? 26.874 -25.800 -19.057 1.00 67.71 ? 8 PRO L N 1 ATOM 1893 C CA . PRO B 2 8 ? 26.989 -26.296 -20.425 1.00 67.53 ? 8 PRO L CA 1 ATOM 1894 C C . PRO B 2 8 ? 27.285 -27.778 -20.463 1.00 65.49 ? 8 PRO L C 1 ATOM 1895 O O . PRO B 2 8 ? 26.541 -28.555 -21.054 1.00 63.35 ? 8 PRO L O 1 ATOM 1896 C CB . PRO B 2 8 ? 28.185 -25.518 -20.983 1.00 72.51 ? 8 PRO L CB 1 ATOM 1897 C CG . PRO B 2 8 ? 28.313 -24.319 -20.106 1.00 76.05 ? 8 PRO L CG 1 ATOM 1898 C CD . PRO B 2 8 ? 27.892 -24.782 -18.751 1.00 72.74 ? 8 PRO L CD 1 ATOM 1899 N N . LEU B 2 9 ? 28.393 -28.139 -19.833 1.00 67.17 ? 9 LEU L N 1 ATOM 1900 C CA . LEU B 2 9 ? 28.868 -29.517 -19.800 1.00 65.63 ? 9 LEU L CA 1 ATOM 1901 C C . LEU B 2 9 ? 29.097 -29.988 -18.379 1.00 65.06 ? 9 LEU L C 1 ATOM 1902 O O . LEU B 2 9 ? 29.505 -29.231 -17.503 1.00 66.71 ? 9 LEU L O 1 ATOM 1903 C CB . LEU B 2 9 ? 30.163 -29.657 -20.616 1.00 69.28 ? 9 LEU L CB 1 ATOM 1904 C CG . LEU B 2 9 ? 30.907 -31.002 -20.575 1.00 70.03 ? 9 LEU L CG 1 ATOM 1905 C CD1 . LEU B 2 9 ? 30.013 -32.157 -20.986 1.00 67.39 ? 9 LEU L CD1 1 ATOM 1906 C CD2 . LEU B 2 9 ? 32.140 -30.965 -21.459 1.00 75.25 ? 9 LEU L CD2 1 ATOM 1907 N N . VAL B 2 10 ? 28.808 -31.263 -18.180 1.00 63.27 ? 11 VAL L N 1 ATOM 1908 C CA . VAL B 2 10 ? 29.099 -31.955 -16.932 1.00 63.59 ? 11 VAL L CA 1 ATOM 1909 C C . VAL B 2 10 ? 29.677 -33.332 -17.225 1.00 64.49 ? 11 VAL L C 1 ATOM 1910 O O . VAL B 2 10 ? 29.021 -34.176 -17.824 1.00 63.23 ? 11 VAL L O 1 ATOM 1911 C CB . VAL B 2 10 ? 27.829 -32.109 -16.081 1.00 60.61 ? 11 VAL L CB 1 ATOM 1912 C CG1 . VAL B 2 10 ? 28.080 -33.023 -14.895 1.00 61.43 ? 11 VAL L CG1 1 ATOM 1913 C CG2 . VAL B 2 10 ? 27.347 -30.753 -15.618 1.00 60.25 ? 11 VAL L CG2 1 ATOM 1914 N N . SER B 2 11 ? 30.917 -33.537 -16.806 1.00 67.91 ? 12 SER L N 1 ATOM 1915 C CA . SER B 2 11 ? 31.584 -34.825 -16.984 1.00 69.46 ? 12 SER L CA 1 ATOM 1916 C C . SER B 2 11 ? 31.303 -35.755 -15.821 1.00 69.52 ? 12 SER L C 1 ATOM 1917 O O . SER B 2 11 ? 30.767 -35.362 -14.784 1.00 68.98 ? 12 SER L O 1 ATOM 1918 C CB . SER B 2 11 ? 33.099 -34.655 -17.143 1.00 74.32 ? 12 SER L CB 1 ATOM 1919 O OG . SER B 2 11 ? 33.402 -33.878 -18.288 1.00 76.65 ? 12 SER L OG 1 ATOM 1920 N N . VAL B 2 12 ? 31.705 -37.000 -16.025 1.00 70.81 ? 13 VAL L N 1 ATOM 1921 C CA . VAL B 2 12 ? 31.511 -38.072 -15.046 1.00 71.32 ? 13 VAL L CA 1 ATOM 1922 C C . VAL B 2 12 ? 32.133 -39.388 -15.491 1.00 73.00 ? 13 VAL L C 1 ATOM 1923 O O . VAL B 2 12 ? 31.939 -39.837 -16.617 1.00 72.02 ? 13 VAL L O 1 ATOM 1924 C CB . VAL B 2 12 ? 30.012 -38.292 -14.746 1.00 67.57 ? 13 VAL L CB 1 ATOM 1925 C CG1 . VAL B 2 12 ? 29.665 -39.762 -14.791 1.00 69.71 ? 13 VAL L CG1 1 ATOM 1926 C CG2 . VAL B 2 12 ? 29.652 -37.693 -13.398 1.00 67.78 ? 13 VAL L CG2 1 ATOM 1927 N N . ALA B 2 13 ? 32.900 -39.985 -14.593 1.00 76.52 ? 14 ALA L N 1 ATOM 1928 C CA . ALA B 2 13 ? 33.459 -41.314 -14.833 1.00 79.25 ? 14 ALA L CA 1 ATOM 1929 C C . ALA B 2 13 ? 32.350 -42.333 -14.652 1.00 77.77 ? 14 ALA L C 1 ATOM 1930 O O . ALA B 2 13 ? 31.320 -42.045 -14.050 1.00 75.07 ? 14 ALA L O 1 ATOM 1931 C CB . ALA B 2 13 ? 34.614 -41.602 -13.882 1.00 84.13 ? 14 ALA L CB 1 ATOM 1932 N N . LEU B 2 14 ? 32.559 -43.523 -15.193 1.00 79.99 ? 15 LEU L N 1 ATOM 1933 C CA . LEU B 2 14 ? 31.599 -44.617 -14.998 1.00 79.57 ? 15 LEU L CA 1 ATOM 1934 C C . LEU B 2 14 ? 31.383 -44.854 -13.513 1.00 81.60 ? 15 LEU L C 1 ATOM 1935 O O . LEU B 2 14 ? 32.330 -44.939 -12.734 1.00 86.06 ? 15 LEU L O 1 ATOM 1936 C CB . LEU B 2 14 ? 32.067 -45.913 -15.678 1.00 82.88 ? 15 LEU L CB 1 ATOM 1937 C CG . LEU B 2 14 ? 32.028 -45.918 -17.208 1.00 80.93 ? 15 LEU L CG 1 ATOM 1938 C CD1 . LEU B 2 14 ? 32.499 -47.258 -17.756 1.00 83.48 ? 15 LEU L CD1 1 ATOM 1939 C CD2 . LEU B 2 14 ? 30.625 -45.594 -17.706 1.00 74.94 ? 15 LEU L CD2 1 ATOM 1940 N N . GLY B 2 15 ? 30.117 -44.940 -13.136 1.00 78.94 ? 16 GLY L N 1 ATOM 1941 C CA . GLY B 2 15 ? 29.731 -45.243 -11.764 1.00 82.20 ? 16 GLY L CA 1 ATOM 1942 C C . GLY B 2 15 ? 29.773 -44.037 -10.850 1.00 82.84 ? 16 GLY L C 1 ATOM 1943 O O . GLY B 2 15 ? 29.221 -44.056 -9.751 1.00 84.69 ? 16 GLY L O 1 ATOM 1944 N N . GLN B 2 16 ? 30.443 -42.985 -11.305 1.00 82.30 ? 17 GLN L N 1 ATOM 1945 C CA . GLN B 2 16 ? 30.526 -41.732 -10.534 1.00 82.42 ? 17 GLN L CA 1 ATOM 1946 C C . GLN B 2 16 ? 29.179 -41.040 -10.455 1.00 78.47 ? 17 GLN L C 1 ATOM 1947 O O . GLN B 2 16 ? 28.253 -41.316 -11.224 1.00 75.40 ? 17 GLN L O 1 ATOM 1948 C CB . GLN B 2 16 ? 31.558 -40.752 -11.118 1.00 82.76 ? 17 GLN L CB 1 ATOM 1949 C CG . GLN B 2 16 ? 33.007 -41.094 -10.823 1.00 89.54 ? 17 GLN L CG 1 ATOM 1950 C CD . GLN B 2 16 ? 33.932 -39.903 -11.062 1.00 91.89 ? 17 GLN L CD 1 ATOM 1951 O OE1 . GLN B 2 16 ? 33.545 -38.924 -11.712 1.00 87.30 ? 17 GLN L OE1 1 ATOM 1952 N NE2 . GLN B 2 16 ? 35.151 -39.976 -10.529 1.00 95.09 ? 17 GLN L NE2 1 ATOM 1953 N N . LYS B 2 17 ? 29.108 -40.117 -9.508 1.00 79.23 ? 18 LYS L N 1 ATOM 1954 C CA . LYS B 2 17 ? 27.922 -39.284 -9.300 1.00 75.44 ? 18 LYS L CA 1 ATOM 1955 C C . LYS B 2 17 ? 27.996 -38.052 -10.177 1.00 71.94 ? 18 LYS L C 1 ATOM 1956 O O . LYS B 2 17 ? 29.053 -37.454 -10.343 1.00 74.06 ? 18 LYS L O 1 ATOM 1957 C CB . LYS B 2 17 ? 27.808 -38.865 -7.833 1.00 78.74 ? 18 LYS L CB 1 ATOM 1958 C CG . LYS B 2 17 ? 26.443 -38.344 -7.434 1.00 77.60 ? 18 LYS L CG 1 ATOM 1959 C CD . LYS B 2 17 ? 26.339 -38.170 -5.923 1.00 84.29 ? 18 LYS L CD 1 ATOM 1960 C CE . LYS B 2 17 ? 24.897 -38.282 -5.447 1.00 84.85 ? 18 LYS L CE 1 ATOM 1961 N NZ . LYS B 2 17 ? 24.798 -38.494 -3.976 1.00 89.53 ? 18 LYS L NZ 1 ATOM 1962 N N . ALA B 2 18 ? 26.857 -37.692 -10.745 1.00 67.91 ? 19 ALA L N 1 ATOM 1963 C CA . ALA B 2 18 ? 26.741 -36.487 -11.563 1.00 65.33 ? 19 ALA L CA 1 ATOM 1964 C C . ALA B 2 18 ? 25.570 -35.642 -11.105 1.00 64.49 ? 19 ALA L C 1 ATOM 1965 O O . ALA B 2 18 ? 24.494 -36.153 -10.793 1.00 63.41 ? 19 ALA L O 1 ATOM 1966 C CB . ALA B 2 18 ? 26.578 -36.850 -13.019 1.00 62.08 ? 19 ALA L CB 1 ATOM 1967 N N . THR B 2 19 ? 25.796 -34.337 -11.067 1.00 65.82 ? 20 THR L N 1 ATOM 1968 C CA . THR B 2 19 ? 24.781 -33.401 -10.596 1.00 65.35 ? 20 THR L CA 1 ATOM 1969 C C . THR B 2 19 ? 24.608 -32.216 -11.521 1.00 63.79 ? 20 THR L C 1 ATOM 1970 O O . THR B 2 19 ? 25.533 -31.437 -11.747 1.00 66.04 ? 20 THR L O 1 ATOM 1971 C CB . THR B 2 19 ? 25.117 -32.876 -9.198 1.00 69.21 ? 20 THR L CB 1 ATOM 1972 O OG1 . THR B 2 19 ? 25.270 -33.979 -8.297 1.00 71.56 ? 20 THR L OG1 1 ATOM 1973 C CG2 . THR B 2 19 ? 24.009 -31.965 -8.697 1.00 69.19 ? 20 THR L CG2 1 ATOM 1974 N N . ILE B 2 20 ? 23.394 -32.098 -12.038 1.00 60.90 ? 21 ILE L N 1 ATOM 1975 C CA . ILE B 2 20 ? 23.029 -31.025 -12.947 1.00 59.72 ? 21 ILE L CA 1 ATOM 1976 C C . ILE B 2 20 ? 22.082 -30.065 -12.263 1.00 60.35 ? 21 ILE L C 1 ATOM 1977 O O . ILE B 2 20 ? 21.007 -30.451 -11.799 1.00 59.40 ? 21 ILE L O 1 ATOM 1978 C CB . ILE B 2 20 ? 22.347 -31.574 -14.201 1.00 56.63 ? 21 ILE L CB 1 ATOM 1979 C CG1 . ILE B 2 20 ? 23.241 -32.619 -14.869 1.00 57.00 ? 21 ILE L CG1 1 ATOM 1980 C CG2 . ILE B 2 20 ? 22.024 -30.442 -15.164 1.00 55.75 ? 21 ILE L CG2 1 ATOM 1981 C CD1 . ILE B 2 20 ? 22.544 -33.395 -15.946 1.00 56.13 ? 21 ILE L CD1 1 ATOM 1982 N N . THR B 2 21 ? 22.501 -28.809 -12.212 1.00 61.79 ? 22 THR L N 1 ATOM 1983 C CA . THR B 2 21 ? 21.731 -27.760 -11.554 1.00 62.74 ? 22 THR L CA 1 ATOM 1984 C C . THR B 2 21 ? 20.825 -27.022 -12.532 1.00 61.60 ? 22 THR L C 1 ATOM 1985 O O . THR B 2 21 ? 21.095 -26.934 -13.729 1.00 60.72 ? 22 THR L O 1 ATOM 1986 C CB . THR B 2 21 ? 22.656 -26.747 -10.847 1.00 66.80 ? 22 THR L CB 1 ATOM 1987 O OG1 . THR B 2 21 ? 23.591 -26.203 -11.789 1.00 66.34 ? 22 THR L OG1 1 ATOM 1988 C CG2 . THR B 2 21 ? 23.410 -27.421 -9.715 1.00 68.22 ? 22 THR L CG2 1 ATOM 1989 N N . CYS B 2 22 ? 19.735 -26.502 -11.989 1.00 61.96 ? 23 CYS L N 1 ATOM 1990 C CA . CYS B 2 22 ? 18.768 -25.735 -12.768 1.00 61.30 ? 23 CYS L CA 1 ATOM 1991 C C . CYS B 2 22 ? 18.196 -24.577 -11.957 1.00 63.67 ? 23 CYS L C 1 ATOM 1992 O O . CYS B 2 22 ? 17.389 -24.772 -11.045 1.00 63.66 ? 23 CYS L O 1 ATOM 1993 C CB . CYS B 2 22 ? 17.657 -26.670 -13.255 1.00 58.68 ? 23 CYS L CB 1 ATOM 1994 S SG . CYS B 2 22 ? 16.297 -25.854 -14.102 1.00 61.99 ? 23 CYS L SG 1 ATOM 1995 N N . SER B 2 23 ? 18.636 -23.372 -12.304 1.00 66.43 ? 24 SER L N 1 ATOM 1996 C CA . SER B 2 23 ? 18.302 -22.162 -11.540 1.00 70.33 ? 24 SER L CA 1 ATOM 1997 C C . SER B 2 23 ? 17.268 -21.266 -12.208 1.00 71.90 ? 24 SER L C 1 ATOM 1998 O O . SER B 2 23 ? 17.286 -21.031 -13.419 1.00 70.99 ? 24 SER L O 1 ATOM 1999 C CB . SER B 2 23 ? 19.561 -21.345 -11.253 1.00 73.74 ? 24 SER L CB 1 ATOM 2000 O OG . SER B 2 23 ? 20.559 -22.139 -10.643 1.00 72.18 ? 24 SER L OG 1 ATOM 2001 N N . GLY B 2 24 ? 16.366 -20.771 -11.372 1.00 74.92 ? 25 GLY L N 1 ATOM 2002 C CA . GLY B 2 24 ? 15.276 -19.890 -11.802 1.00 77.06 ? 25 GLY L CA 1 ATOM 2003 C C . GLY B 2 24 ? 14.711 -19.058 -10.672 1.00 81.51 ? 25 GLY L C 1 ATOM 2004 O O . GLY B 2 24 ? 14.740 -19.458 -9.511 1.00 82.35 ? 25 GLY L O 1 ATOM 2005 N N . ASP B 2 25 ? 14.204 -17.888 -11.024 1.00 85.69 ? 26 ASP L N 1 ATOM 2006 C CA . ASP B 2 25 ? 13.655 -16.972 -10.022 1.00 91.23 ? 26 ASP L CA 1 ATOM 2007 C C . ASP B 2 25 ? 12.471 -17.637 -9.336 1.00 89.71 ? 26 ASP L C 1 ATOM 2008 O O . ASP B 2 25 ? 11.497 -18.024 -9.980 1.00 87.67 ? 26 ASP L O 1 ATOM 2009 C CB . ASP B 2 25 ? 13.243 -15.632 -10.645 1.00 95.49 ? 26 ASP L CB 1 ATOM 2010 C CG . ASP B 2 25 ? 13.094 -14.533 -9.611 1.00 104.60 ? 26 ASP L CG 1 ATOM 2011 O OD1 . ASP B 2 25 ? 13.358 -14.801 -8.419 1.00 109.79 ? 26 ASP L OD1 1 ATOM 2012 O OD2 . ASP B 2 25 ? 12.723 -13.397 -9.986 1.00 110.09 ? 26 ASP L OD2 1 ATOM 2013 N N . LYS B 2 26 ? 12.587 -17.778 -8.021 1.00 91.54 ? 27 LYS L N 1 ATOM 2014 C CA . LYS B 2 26 ? 11.557 -18.413 -7.198 1.00 91.09 ? 27 LYS L CA 1 ATOM 2015 C C . LYS B 2 26 ? 11.160 -19.760 -7.788 1.00 85.38 ? 27 LYS L C 1 ATOM 2016 O O . LYS B 2 26 ? 9.984 -20.130 -7.838 1.00 84.27 ? 27 LYS L O 1 ATOM 2017 C CB . LYS B 2 26 ? 10.336 -17.501 -7.061 1.00 94.54 ? 27 LYS L CB 1 ATOM 2018 C CG . LYS B 2 26 ? 10.636 -16.186 -6.377 1.00 100.71 ? 27 LYS L CG 1 ATOM 2019 C CD . LYS B 2 26 ? 9.435 -15.263 -6.429 1.00 104.65 ? 27 LYS L CD 1 ATOM 2020 C CE . LYS B 2 26 ? 9.767 -13.869 -5.914 1.00 111.38 ? 27 LYS L CE 1 ATOM 2021 N NZ . LYS B 2 26 ? 8.558 -12.999 -5.825 1.00 115.38 ? 27 LYS L NZ 1 ATOM 2022 N N . LEU B 2 27 ? 12.179 -20.477 -8.234 1.00 81.95 ? 28 LEU L N 1 ATOM 2023 C CA . LEU B 2 27 ? 12.008 -21.763 -8.914 1.00 76.76 ? 28 LEU L CA 1 ATOM 2024 C C . LEU B 2 27 ? 11.383 -22.799 -7.997 1.00 76.35 ? 28 LEU L C 1 ATOM 2025 O O . LEU B 2 27 ? 10.733 -23.741 -8.458 1.00 73.37 ? 28 LEU L O 1 ATOM 2026 C CB . LEU B 2 27 ? 13.357 -22.277 -9.435 1.00 74.44 ? 28 LEU L CB 1 ATOM 2027 C CG . LEU B 2 27 ? 13.371 -23.577 -10.240 1.00 70.99 ? 28 LEU L CG 1 ATOM 2028 C CD1 . LEU B 2 27 ? 12.412 -23.522 -11.417 1.00 70.30 ? 28 LEU L CD1 1 ATOM 2029 C CD2 . LEU B 2 27 ? 14.788 -23.882 -10.718 1.00 70.26 ? 28 LEU L CD2 1 ATOM 2030 N N . SER B 2 28 ? 11.578 -22.601 -6.698 1.00 80.04 ? 29 SER L N 1 ATOM 2031 C CA . SER B 2 28 ? 11.182 -23.595 -5.686 1.00 80.14 ? 29 SER L CA 1 ATOM 2032 C C . SER B 2 28 ? 9.798 -23.305 -5.138 1.00 82.43 ? 29 SER L C 1 ATOM 2033 O O . SER B 2 28 ? 9.466 -23.663 -4.008 1.00 85.96 ? 29 SER L O 1 ATOM 2034 C CB . SER B 2 28 ? 12.202 -23.663 -4.541 1.00 83.33 ? 29 SER L CB 1 ATOM 2035 O OG . SER B 2 28 ? 13.456 -24.141 -4.999 1.00 79.98 ? 29 SER L OG 1 ATOM 2036 N N . ASP B 2 29 ? 9.002 -22.634 -5.953 1.00 81.45 ? 30 ASP L N 1 ATOM 2037 C CA . ASP B 2 29 ? 7.583 -22.434 -5.652 1.00 83.51 ? 30 ASP L CA 1 ATOM 2038 C C . ASP B 2 29 ? 6.770 -22.988 -6.801 1.00 78.68 ? 30 ASP L C 1 ATOM 2039 O O . ASP B 2 29 ? 5.600 -22.664 -6.995 1.00 79.45 ? 30 ASP L O 1 ATOM 2040 C CB . ASP B 2 29 ? 7.283 -20.957 -5.425 1.00 88.59 ? 30 ASP L CB 1 ATOM 2041 C CG . ASP B 2 29 ? 8.130 -20.359 -4.317 1.00 95.04 ? 30 ASP L CG 1 ATOM 2042 O OD1 . ASP B 2 29 ? 9.357 -20.601 -4.305 1.00 96.38 ? 30 ASP L OD1 1 ATOM 2043 O OD2 . ASP B 2 29 ? 7.571 -19.646 -3.457 1.00 101.94 ? 30 ASP L OD2 1 ATOM 2044 N N . VAL B 2 30 ? 7.445 -23.837 -7.559 1.00 73.76 ? 31 VAL L N 1 ATOM 2045 C CA . VAL B 2 30 ? 6.882 -24.464 -8.748 1.00 70.08 ? 31 VAL L CA 1 ATOM 2046 C C . VAL B 2 30 ? 7.624 -25.746 -9.087 1.00 66.38 ? 31 VAL L C 1 ATOM 2047 O O . VAL B 2 30 ? 8.834 -25.844 -8.898 1.00 67.35 ? 31 VAL L O 1 ATOM 2048 C CB . VAL B 2 30 ? 6.941 -23.500 -9.949 1.00 69.35 ? 31 VAL L CB 1 ATOM 2049 C CG1 . VAL B 2 30 ? 7.099 -24.259 -11.241 1.00 65.88 ? 31 VAL L CG1 1 ATOM 2050 C CG2 . VAL B 2 30 ? 5.696 -22.628 -9.983 1.00 72.94 ? 31 VAL L CG2 1 ATOM 2051 N N . TYR B 2 31 ? 6.881 -26.732 -9.570 1.00 63.24 ? 32 TYR L N 1 ATOM 2052 C CA . TYR B 2 31 ? 7.481 -27.998 -9.994 1.00 58.90 ? 32 TYR L CA 1 ATOM 2053 C C . TYR B 2 31 ? 8.510 -27.808 -11.097 1.00 56.97 ? 32 TYR L C 1 ATOM 2054 O O . TYR B 2 31 ? 8.342 -26.996 -12.012 1.00 56.60 ? 32 TYR L O 1 ATOM 2055 C CB . TYR B 2 31 ? 6.426 -29.009 -10.457 1.00 57.50 ? 32 TYR L CB 1 ATOM 2056 C CG . TYR B 2 31 ? 5.703 -29.707 -9.329 1.00 57.55 ? 32 TYR L CG 1 ATOM 2057 C CD1 . TYR B 2 31 ? 6.388 -30.163 -8.211 1.00 54.78 ? 32 TYR L CD1 1 ATOM 2058 C CD2 . TYR B 2 31 ? 4.335 -29.940 -9.399 1.00 56.29 ? 32 TYR L CD2 1 ATOM 2059 C CE1 . TYR B 2 31 ? 5.727 -30.805 -7.194 1.00 58.41 ? 32 TYR L CE1 1 ATOM 2060 C CE2 . TYR B 2 31 ? 3.669 -30.591 -8.385 1.00 56.42 ? 32 TYR L CE2 1 ATOM 2061 C CZ . TYR B 2 31 ? 4.367 -31.021 -7.284 1.00 59.55 ? 32 TYR L CZ 1 ATOM 2062 O OH . TYR B 2 31 ? 3.703 -31.672 -6.261 1.00 66.78 ? 32 TYR L OH 1 ATOM 2063 N N . VAL B 2 32 ? 9.578 -28.584 -10.983 1.00 55.87 ? 33 VAL L N 1 ATOM 2064 C CA . VAL B 2 32 ? 10.613 -28.669 -12.011 1.00 53.83 ? 33 VAL L CA 1 ATOM 2065 C C . VAL B 2 32 ? 10.736 -30.102 -12.527 1.00 52.08 ? 33 VAL L C 1 ATOM 2066 O O . VAL B 2 32 ? 10.738 -31.060 -11.757 1.00 53.35 ? 33 VAL L O 1 ATOM 2067 C CB . VAL B 2 32 ? 11.979 -28.225 -11.460 1.00 54.66 ? 33 VAL L CB 1 ATOM 2068 C CG1 . VAL B 2 32 ? 13.042 -28.296 -12.549 1.00 53.14 ? 33 VAL L CG1 1 ATOM 2069 C CG2 . VAL B 2 32 ? 11.888 -26.829 -10.879 1.00 56.99 ? 33 VAL L CG2 1 ATOM 2070 N N . HIS B 2 33 ? 10.835 -30.235 -13.839 1.00 50.39 ? 34 HIS L N 1 ATOM 2071 C CA . HIS B 2 33 ? 10.936 -31.545 -14.471 1.00 49.09 ? 34 HIS L CA 1 ATOM 2072 C C . HIS B 2 33 ? 12.154 -31.623 -15.376 1.00 49.10 ? 34 HIS L C 1 ATOM 2073 O O . HIS B 2 33 ? 12.630 -30.611 -15.913 1.00 49.62 ? 34 HIS L O 1 ATOM 2074 C CB . HIS B 2 33 ? 9.678 -31.836 -15.284 1.00 48.93 ? 34 HIS L CB 1 ATOM 2075 C CG . HIS B 2 33 ? 8.436 -31.231 -14.710 1.00 51.74 ? 34 HIS L CG 1 ATOM 2076 N ND1 . HIS B 2 33 ? 7.658 -31.875 -13.775 1.00 52.69 ? 34 HIS L ND1 1 ATOM 2077 C CD2 . HIS B 2 33 ? 7.837 -30.038 -14.939 1.00 53.24 ? 34 HIS L CD2 1 ATOM 2078 C CE1 . HIS B 2 33 ? 6.635 -31.105 -13.447 1.00 53.52 ? 34 HIS L CE1 1 ATOM 2079 N NE2 . HIS B 2 33 ? 6.717 -29.987 -14.143 1.00 53.72 ? 34 HIS L NE2 1 ATOM 2080 N N . TRP B 2 34 ? 12.646 -32.843 -15.547 1.00 48.11 ? 35 TRP L N 1 ATOM 2081 C CA . TRP B 2 34 ? 13.848 -33.078 -16.335 1.00 46.96 ? 35 TRP L CA 1 ATOM 2082 C C . TRP B 2 34 ? 13.602 -34.020 -17.491 1.00 46.20 ? 35 TRP L C 1 ATOM 2083 O O . TRP B 2 34 ? 12.944 -35.052 -17.349 1.00 45.73 ? 35 TRP L O 1 ATOM 2084 C CB . TRP B 2 34 ? 14.958 -33.634 -15.443 1.00 47.21 ? 35 TRP L CB 1 ATOM 2085 C CG . TRP B 2 34 ? 15.402 -32.667 -14.414 1.00 47.72 ? 35 TRP L CG 1 ATOM 2086 C CD1 . TRP B 2 34 ? 14.821 -32.441 -13.213 1.00 50.05 ? 35 TRP L CD1 1 ATOM 2087 C CD2 . TRP B 2 34 ? 16.512 -31.767 -14.503 1.00 49.78 ? 35 TRP L CD2 1 ATOM 2088 N NE1 . TRP B 2 34 ? 15.502 -31.461 -12.535 1.00 54.15 ? 35 TRP L NE1 1 ATOM 2089 C CE2 . TRP B 2 34 ? 16.547 -31.031 -13.308 1.00 51.98 ? 35 TRP L CE2 1 ATOM 2090 C CE3 . TRP B 2 34 ? 17.482 -31.514 -15.477 1.00 50.87 ? 35 TRP L CE3 1 ATOM 2091 C CZ2 . TRP B 2 34 ? 17.514 -30.059 -13.056 1.00 54.82 ? 35 TRP L CZ2 1 ATOM 2092 C CZ3 . TRP B 2 34 ? 18.444 -30.552 -15.225 1.00 51.58 ? 35 TRP L CZ3 1 ATOM 2093 C CH2 . TRP B 2 34 ? 18.455 -29.839 -14.024 1.00 54.04 ? 35 TRP L CH2 1 ATOM 2094 N N . TYR B 2 35 ? 14.162 -33.643 -18.633 1.00 45.86 ? 36 TYR L N 1 ATOM 2095 C CA . TYR B 2 35 ? 14.117 -34.465 -19.834 1.00 45.70 ? 36 TYR L CA 1 ATOM 2096 C C . TYR B 2 35 ? 15.503 -34.809 -20.339 1.00 45.84 ? 36 TYR L C 1 ATOM 2097 O O . TYR B 2 35 ? 16.456 -34.043 -20.194 1.00 45.82 ? 36 TYR L O 1 ATOM 2098 C CB . TYR B 2 35 ? 13.341 -33.751 -20.931 1.00 46.29 ? 36 TYR L CB 1 ATOM 2099 C CG . TYR B 2 35 ? 11.961 -33.357 -20.498 1.00 47.38 ? 36 TYR L CG 1 ATOM 2100 C CD1 . TYR B 2 35 ? 11.731 -32.134 -19.896 1.00 49.40 ? 36 TYR L CD1 1 ATOM 2101 C CD2 . TYR B 2 35 ? 10.885 -34.214 -20.680 1.00 50.90 ? 36 TYR L CD2 1 ATOM 2102 C CE1 . TYR B 2 35 ? 10.466 -31.766 -19.490 1.00 53.38 ? 36 TYR L CE1 1 ATOM 2103 C CE2 . TYR B 2 35 ? 9.613 -33.854 -20.278 1.00 53.72 ? 36 TYR L CE2 1 ATOM 2104 C CZ . TYR B 2 35 ? 9.408 -32.627 -19.677 1.00 55.04 ? 36 TYR L CZ 1 ATOM 2105 O OH . TYR B 2 35 ? 8.148 -32.249 -19.260 1.00 54.95 ? 36 TYR L OH 1 ATOM 2106 N N . GLN B 2 36 ? 15.582 -35.988 -20.937 1.00 46.31 ? 37 GLN L N 1 ATOM 2107 C CA . GLN B 2 36 ? 16.799 -36.475 -21.565 1.00 47.11 ? 37 GLN L CA 1 ATOM 2108 C C . GLN B 2 36 ? 16.624 -36.520 -23.063 1.00 47.82 ? 37 GLN L C 1 ATOM 2109 O O . GLN B 2 36 ? 15.578 -36.915 -23.574 1.00 48.32 ? 37 GLN L O 1 ATOM 2110 C CB . GLN B 2 36 ? 17.125 -37.879 -21.068 1.00 48.44 ? 37 GLN L CB 1 ATOM 2111 C CG . GLN B 2 36 ? 18.403 -38.469 -21.663 1.00 51.14 ? 37 GLN L CG 1 ATOM 2112 C CD . GLN B 2 36 ? 18.573 -39.932 -21.320 1.00 50.70 ? 37 GLN L CD 1 ATOM 2113 O OE1 . GLN B 2 36 ? 17.741 -40.759 -21.679 1.00 51.62 ? 37 GLN L OE1 1 ATOM 2114 N NE2 . GLN B 2 36 ? 19.653 -40.258 -20.621 1.00 52.90 ? 37 GLN L NE2 1 ATOM 2115 N N . GLN B 2 37 ? 17.670 -36.106 -23.758 1.00 48.59 ? 38 GLN L N 1 ATOM 2116 C CA . GLN B 2 37 ? 17.688 -36.156 -25.211 1.00 50.33 ? 38 GLN L CA 1 ATOM 2117 C C . GLN B 2 37 ? 19.023 -36.642 -25.719 1.00 53.24 ? 38 GLN L C 1 ATOM 2118 O O . GLN B 2 37 ? 20.083 -36.171 -25.298 1.00 54.77 ? 38 GLN L O 1 ATOM 2119 C CB . GLN B 2 37 ? 17.381 -34.784 -25.806 1.00 50.50 ? 38 GLN L CB 1 ATOM 2120 C CG . GLN B 2 37 ? 17.281 -34.806 -27.321 1.00 53.67 ? 38 GLN L CG 1 ATOM 2121 C CD . GLN B 2 37 ? 16.780 -33.500 -27.902 1.00 55.20 ? 38 GLN L CD 1 ATOM 2122 O OE1 . GLN B 2 37 ? 17.203 -32.418 -27.490 1.00 54.76 ? 38 GLN L OE1 1 ATOM 2123 N NE2 . GLN B 2 37 ? 15.880 -33.596 -28.874 1.00 55.40 ? 38 GLN L NE2 1 ATOM 2124 N N . LYS B 2 38 ? 18.956 -37.594 -26.634 1.00 55.21 ? 39 LYS L N 1 ATOM 2125 C CA . LYS B 2 38 ? 20.149 -38.136 -27.251 1.00 57.94 ? 39 LYS L CA 1 ATOM 2126 C C . LYS B 2 38 ? 20.237 -37.725 -28.710 1.00 61.84 ? 39 LYS L C 1 ATOM 2127 O O . LYS B 2 38 ? 19.408 -36.969 -29.215 1.00 62.27 ? 39 LYS L O 1 ATOM 2128 C CB . LYS B 2 38 ? 20.162 -39.652 -27.114 1.00 58.81 ? 39 LYS L CB 1 ATOM 2129 C CG . LYS B 2 38 ? 19.865 -40.117 -25.710 1.00 56.90 ? 39 LYS L CG 1 ATOM 2130 C CD . LYS B 2 38 ? 20.435 -41.488 -25.439 1.00 61.16 ? 39 LYS L CD 1 ATOM 2131 C CE . LYS B 2 38 ? 20.056 -41.970 -24.043 1.00 63.11 ? 39 LYS L CE 1 ATOM 2132 N NZ . LYS B 2 38 ? 20.870 -43.139 -23.597 1.00 67.28 ? 39 LYS L NZ 1 ATOM 2133 N N . ALA B 2 39 ? 21.261 -38.239 -29.374 1.00 65.38 ? 40 ALA L N 1 ATOM 2134 C CA . ALA B 2 39 ? 21.546 -37.864 -30.756 1.00 69.56 ? 40 ALA L CA 1 ATOM 2135 C C . ALA B 2 39 ? 20.314 -38.034 -31.615 1.00 71.32 ? 40 ALA L C 1 ATOM 2136 O O . ALA B 2 39 ? 19.843 -39.145 -31.839 1.00 72.90 ? 40 ALA L O 1 ATOM 2137 C CB . ALA B 2 39 ? 22.698 -38.694 -31.319 1.00 73.41 ? 40 ALA L CB 1 ATOM 2138 N N . GLY B 2 40 ? 19.799 -36.908 -32.089 1.00 72.23 ? 41 GLY L N 1 ATOM 2139 C CA . GLY B 2 40 ? 18.689 -36.895 -33.041 1.00 74.72 ? 41 GLY L CA 1 ATOM 2140 C C . GLY B 2 40 ? 17.503 -37.715 -32.580 1.00 72.55 ? 41 GLY L C 1 ATOM 2141 O O . GLY B 2 40 ? 16.873 -38.431 -33.362 1.00 75.40 ? 41 GLY L O 1 ATOM 2142 N N . GLN B 2 41 ? 17.218 -37.606 -31.293 1.00 67.87 ? 42 GLN L N 1 ATOM 2143 C CA . GLN B 2 41 ? 16.065 -38.267 -30.694 1.00 65.65 ? 42 GLN L CA 1 ATOM 2144 C C . GLN B 2 41 ? 15.152 -37.265 -30.023 1.00 61.85 ? 42 GLN L C 1 ATOM 2145 O O . GLN B 2 41 ? 15.557 -36.161 -29.658 1.00 60.73 ? 42 GLN L O 1 ATOM 2146 C CB . GLN B 2 41 ? 16.509 -39.303 -29.659 1.00 64.17 ? 42 GLN L CB 1 ATOM 2147 C CG . GLN B 2 41 ? 17.131 -40.557 -30.241 1.00 68.62 ? 42 GLN L CG 1 ATOM 2148 C CD . GLN B 2 41 ? 17.419 -41.602 -29.175 1.00 69.84 ? 42 GLN L CD 1 ATOM 2149 O OE1 . GLN B 2 41 ? 16.657 -41.755 -28.218 1.00 64.38 ? 42 GLN L OE1 1 ATOM 2150 N NE2 . GLN B 2 41 ? 18.522 -42.329 -29.338 1.00 73.66 ? 42 GLN L NE2 1 ATOM 2151 N N . ALA B 2 42 ? 13.907 -37.679 -29.868 1.00 60.05 ? 43 ALA L N 1 ATOM 2152 C CA . ALA B 2 42 ? 12.930 -36.900 -29.113 1.00 56.86 ? 43 ALA L CA 1 ATOM 2153 C C . ALA B 2 42 ? 13.318 -36.914 -27.634 1.00 52.85 ? 43 ALA L C 1 ATOM 2154 O O . ALA B 2 42 ? 13.909 -37.880 -27.149 1.00 51.59 ? 43 ALA L O 1 ATOM 2155 C CB . ALA B 2 42 ? 11.527 -37.462 -29.296 1.00 57.77 ? 43 ALA L CB 1 ATOM 2156 N N . PRO B 2 43 ? 13.003 -35.832 -26.909 1.00 50.73 ? 44 PRO L N 1 ATOM 2157 C CA . PRO B 2 43 ? 13.245 -35.836 -25.479 1.00 48.03 ? 44 PRO L CA 1 ATOM 2158 C C . PRO B 2 43 ? 12.439 -36.896 -24.761 1.00 47.27 ? 44 PRO L C 1 ATOM 2159 O O . PRO B 2 43 ? 11.358 -37.292 -25.203 1.00 48.33 ? 44 PRO L O 1 ATOM 2160 C CB . PRO B 2 43 ? 12.773 -34.449 -25.041 1.00 47.58 ? 44 PRO L CB 1 ATOM 2161 C CG . PRO B 2 43 ? 12.894 -33.614 -26.239 1.00 49.53 ? 44 PRO L CG 1 ATOM 2162 C CD . PRO B 2 43 ? 12.575 -34.508 -27.386 1.00 52.27 ? 44 PRO L CD 1 ATOM 2163 N N . VAL B 2 44 ? 13.000 -37.348 -23.653 1.00 45.02 ? 45 VAL L N 1 ATOM 2164 C CA . VAL B 2 44 ? 12.326 -38.283 -22.771 1.00 43.89 ? 45 VAL L CA 1 ATOM 2165 C C . VAL B 2 44 ? 12.331 -37.766 -21.342 1.00 43.25 ? 45 VAL L C 1 ATOM 2166 O O . VAL B 2 44 ? 13.353 -37.333 -20.812 1.00 43.60 ? 45 VAL L O 1 ATOM 2167 C CB . VAL B 2 44 ? 12.979 -39.671 -22.836 1.00 43.89 ? 45 VAL L CB 1 ATOM 2168 C CG1 . VAL B 2 44 ? 12.776 -40.424 -21.548 1.00 42.37 ? 45 VAL L CG1 1 ATOM 2169 C CG2 . VAL B 2 44 ? 12.414 -40.446 -23.995 1.00 46.66 ? 45 VAL L CG2 1 ATOM 2170 N N . LEU B 2 45 ? 11.151 -37.807 -20.745 1.00 43.22 ? 46 LEU L N 1 ATOM 2171 C CA . LEU B 2 45 ? 10.959 -37.426 -19.347 1.00 42.28 ? 46 LEU L CA 1 ATOM 2172 C C . LEU B 2 45 ? 11.663 -38.435 -18.472 1.00 42.27 ? 46 LEU L C 1 ATOM 2173 O O . LEU B 2 45 ? 11.361 -39.618 -18.520 1.00 44.59 ? 46 LEU L O 1 ATOM 2174 C CB . LEU B 2 45 ? 9.464 -37.396 -19.013 1.00 43.15 ? 46 LEU L CB 1 ATOM 2175 C CG . LEU B 2 45 ? 9.042 -36.908 -17.636 1.00 44.86 ? 46 LEU L CG 1 ATOM 2176 C CD1 . LEU B 2 45 ? 9.481 -35.468 -17.436 1.00 44.94 ? 46 LEU L CD1 1 ATOM 2177 C CD2 . LEU B 2 45 ? 7.535 -37.040 -17.489 1.00 46.19 ? 46 LEU L CD2 1 ATOM 2178 N N . VAL B 2 46 ? 12.622 -37.954 -17.692 1.00 41.66 ? 47 VAL L N 1 ATOM 2179 C CA . VAL B 2 46 ? 13.374 -38.813 -16.765 1.00 42.64 ? 47 VAL L CA 1 ATOM 2180 C C . VAL B 2 46 ? 13.018 -38.529 -15.318 1.00 43.86 ? 47 VAL L C 1 ATOM 2181 O O . VAL B 2 46 ? 12.965 -39.441 -14.487 1.00 47.25 ? 47 VAL L O 1 ATOM 2182 C CB . VAL B 2 46 ? 14.896 -38.696 -16.949 1.00 42.22 ? 47 VAL L CB 1 ATOM 2183 C CG1 . VAL B 2 46 ? 15.296 -39.358 -18.232 1.00 43.56 ? 47 VAL L CG1 1 ATOM 2184 C CG2 . VAL B 2 46 ? 15.355 -37.245 -16.920 1.00 41.42 ? 47 VAL L CG2 1 ATOM 2185 N N . ILE B 2 47 ? 12.777 -37.263 -15.022 1.00 42.40 ? 48 ILE L N 1 ATOM 2186 C CA . ILE B 2 47 ? 12.220 -36.878 -13.720 1.00 43.89 ? 48 ILE L CA 1 ATOM 2187 C C . ILE B 2 47 ? 11.114 -35.848 -13.843 1.00 43.99 ? 48 ILE L C 1 ATOM 2188 O O . ILE B 2 47 ? 11.154 -34.962 -14.696 1.00 44.07 ? 48 ILE L O 1 ATOM 2189 C CB . ILE B 2 47 ? 13.293 -36.379 -12.743 1.00 44.37 ? 48 ILE L CB 1 ATOM 2190 C CG1 . ILE B 2 47 ? 13.827 -37.563 -11.948 1.00 47.11 ? 48 ILE L CG1 1 ATOM 2191 C CG2 . ILE B 2 47 ? 12.703 -35.378 -11.769 1.00 41.60 ? 48 ILE L CG2 1 ATOM 2192 C CD1 . ILE B 2 47 ? 15.093 -37.259 -11.179 1.00 51.28 ? 48 ILE L CD1 1 ATOM 2193 N N . TYR B 2 48 ? 10.125 -35.988 -12.976 1.00 45.52 ? 49 TYR L N 1 ATOM 2194 C CA . TYR B 2 48 ? 9.012 -35.054 -12.933 1.00 46.37 ? 49 TYR L CA 1 ATOM 2195 C C . TYR B 2 48 ? 8.604 -34.698 -11.522 1.00 49.07 ? 49 TYR L C 1 ATOM 2196 O O . TYR B 2 48 ? 8.850 -35.442 -10.578 1.00 51.97 ? 49 TYR L O 1 ATOM 2197 C CB . TYR B 2 48 ? 7.822 -35.615 -13.705 1.00 47.10 ? 49 TYR L CB 1 ATOM 2198 C CG . TYR B 2 48 ? 7.287 -36.937 -13.203 1.00 48.01 ? 49 TYR L CG 1 ATOM 2199 C CD1 . TYR B 2 48 ? 7.922 -38.130 -13.516 1.00 48.21 ? 49 TYR L CD1 1 ATOM 2200 C CD2 . TYR B 2 48 ? 6.125 -36.995 -12.457 1.00 51.00 ? 49 TYR L CD2 1 ATOM 2201 C CE1 . TYR B 2 48 ? 7.427 -39.340 -13.082 1.00 48.33 ? 49 TYR L CE1 1 ATOM 2202 C CE2 . TYR B 2 48 ? 5.621 -38.199 -12.012 1.00 54.24 ? 49 TYR L CE2 1 ATOM 2203 C CZ . TYR B 2 48 ? 6.272 -39.369 -12.330 1.00 52.72 ? 49 TYR L CZ 1 ATOM 2204 O OH . TYR B 2 48 ? 5.757 -40.567 -11.888 1.00 55.31 ? 49 TYR L OH 1 ATOM 2205 N N . GLU B 2 49 ? 7.993 -33.529 -11.398 1.00 49.74 ? 50 GLU L N 1 ATOM 2206 C CA . GLU B 2 49 ? 7.487 -33.045 -10.127 1.00 53.17 ? 50 GLU L CA 1 ATOM 2207 C C . GLU B 2 49 ? 8.611 -33.012 -9.116 1.00 55.33 ? 50 GLU L C 1 ATOM 2208 O O . GLU B 2 49 ? 8.528 -33.614 -8.050 1.00 59.46 ? 50 GLU L O 1 ATOM 2209 C CB . GLU B 2 49 ? 6.352 -33.931 -9.632 1.00 55.49 ? 50 GLU L CB 1 ATOM 2210 C CG . GLU B 2 49 ? 4.992 -33.566 -10.223 1.00 56.51 ? 50 GLU L CG 1 ATOM 2211 C CD . GLU B 2 49 ? 3.927 -34.641 -10.032 1.00 63.95 ? 50 GLU L CD 1 ATOM 2212 O OE1 . GLU B 2 49 ? 3.834 -35.233 -8.930 1.00 72.82 ? 50 GLU L OE1 1 ATOM 2213 O OE2 . GLU B 2 49 ? 3.162 -34.884 -10.990 1.00 64.35 ? 50 GLU L OE2 1 ATOM 2214 N N . ASP B 2 50 ? 9.670 -32.310 -9.491 1.00 54.59 ? 51 ASP L N 1 ATOM 2215 C CA . ASP B 2 50 ? 10.845 -32.113 -8.641 1.00 57.00 ? 51 ASP L CA 1 ATOM 2216 C C . ASP B 2 50 ? 11.599 -33.391 -8.384 1.00 56.98 ? 51 ASP L C 1 ATOM 2217 O O . ASP B 2 50 ? 12.798 -33.487 -8.642 1.00 56.93 ? 51 ASP L O 1 ATOM 2218 C CB . ASP B 2 50 ? 10.450 -31.559 -7.274 1.00 61.34 ? 51 ASP L CB 1 ATOM 2219 C CG . ASP B 2 50 ? 9.633 -30.290 -7.365 1.00 65.95 ? 51 ASP L CG 1 ATOM 2220 O OD1 . ASP B 2 50 ? 9.697 -29.608 -8.412 1.00 70.10 ? 51 ASP L OD1 1 ATOM 2221 O OD2 . ASP B 2 50 ? 8.946 -29.960 -6.371 1.00 69.39 ? 51 ASP L OD2 1 ATOM 2222 N N . ASN B 2 51 ? 10.866 -34.366 -7.871 1.00 57.64 ? 52 ASN L N 1 ATOM 2223 C CA . ASN B 2 51 ? 11.470 -35.451 -7.100 1.00 59.56 ? 52 ASN L CA 1 ATOM 2224 C C . ASN B 2 51 ? 10.925 -36.814 -7.415 1.00 59.99 ? 52 ASN L C 1 ATOM 2225 O O . ASN B 2 51 ? 10.947 -37.699 -6.566 1.00 64.32 ? 52 ASN L O 1 ATOM 2226 C CB . ASN B 2 51 ? 11.265 -35.174 -5.610 1.00 63.49 ? 52 ASN L CB 1 ATOM 2227 C CG . ASN B 2 51 ? 9.803 -35.094 -5.235 1.00 64.62 ? 52 ASN L CG 1 ATOM 2228 O OD1 . ASN B 2 51 ? 8.922 -35.260 -6.083 1.00 62.37 ? 52 ASN L OD1 1 ATOM 2229 N ND2 . ASN B 2 51 ? 9.534 -34.833 -3.963 1.00 72.18 ? 52 ASN L ND2 1 ATOM 2230 N N . ARG B 2 52 ? 10.438 -36.997 -8.632 1.00 56.79 ? 53 ARG L N 1 ATOM 2231 C CA . ARG B 2 52 ? 9.859 -38.294 -8.996 1.00 57.23 ? 53 ARG L CA 1 ATOM 2232 C C . ARG B 2 52 ? 10.285 -38.825 -10.347 1.00 53.98 ? 53 ARG L C 1 ATOM 2233 O O . ARG B 2 52 ? 10.806 -38.108 -11.193 1.00 51.11 ? 53 ARG L O 1 ATOM 2234 C CB . ARG B 2 52 ? 8.342 -38.263 -8.871 1.00 58.36 ? 53 ARG L CB 1 ATOM 2235 C CG . ARG B 2 52 ? 7.901 -37.899 -7.458 1.00 63.01 ? 53 ARG L CG 1 ATOM 2236 C CD . ARG B 2 52 ? 6.440 -38.203 -7.245 1.00 67.01 ? 53 ARG L CD 1 ATOM 2237 N NE . ARG B 2 52 ? 6.147 -38.548 -5.859 1.00 71.47 ? 53 ARG L NE 1 ATOM 2238 C CZ . ARG B 2 52 ? 6.256 -39.776 -5.366 1.00 79.58 ? 53 ARG L CZ 1 ATOM 2239 N NH1 . ARG B 2 52 ? 6.657 -40.772 -6.144 1.00 80.25 ? 53 ARG L NH1 1 ATOM 2240 N NH2 . ARG B 2 52 ? 5.960 -40.015 -4.096 1.00 88.46 ? 53 ARG L NH2 1 ATOM 2241 N N . ARG B 2 53 ? 10.047 -40.115 -10.513 1.00 55.44 ? 54 ARG L N 1 ATOM 2242 C CA . ARG B 2 53 ? 10.655 -40.876 -11.597 1.00 54.38 ? 54 ARG L CA 1 ATOM 2243 C C . ARG B 2 53 ? 9.648 -41.803 -12.257 1.00 55.52 ? 54 ARG L C 1 ATOM 2244 O O . ARG B 2 53 ? 8.920 -42.498 -11.571 1.00 58.72 ? 54 ARG L O 1 ATOM 2245 C CB . ARG B 2 53 ? 11.833 -41.697 -11.064 1.00 55.79 ? 54 ARG L CB 1 ATOM 2246 C CG . ARG B 2 53 ? 12.780 -42.178 -12.154 1.00 54.96 ? 54 ARG L CG 1 ATOM 2247 C CD . ARG B 2 53 ? 13.959 -42.938 -11.573 1.00 58.66 ? 54 ARG L CD 1 ATOM 2248 N NE . ARG B 2 53 ? 13.525 -44.108 -10.815 1.00 67.42 ? 54 ARG L NE 1 ATOM 2249 C CZ . ARG B 2 53 ? 13.503 -44.177 -9.488 1.00 74.11 ? 54 ARG L CZ 1 ATOM 2250 N NH1 . ARG B 2 53 ? 13.894 -43.139 -8.755 1.00 74.49 ? 54 ARG L NH1 1 ATOM 2251 N NH2 . ARG B 2 53 ? 13.092 -45.288 -8.891 1.00 77.82 ? 54 ARG L NH2 1 ATOM 2252 N N . PRO B 2 54 ? 9.597 -41.813 -13.594 1.00 54.10 ? 55 PRO L N 1 ATOM 2253 C CA . PRO B 2 54 ? 8.712 -42.782 -14.214 1.00 56.52 ? 55 PRO L CA 1 ATOM 2254 C C . PRO B 2 54 ? 9.327 -44.159 -14.232 1.00 60.26 ? 55 PRO L C 1 ATOM 2255 O O . PRO B 2 54 ? 10.543 -44.305 -14.300 1.00 58.95 ? 55 PRO L O 1 ATOM 2256 C CB . PRO B 2 54 ? 8.542 -42.259 -15.646 1.00 54.12 ? 55 PRO L CB 1 ATOM 2257 C CG . PRO B 2 54 ? 9.309 -40.952 -15.715 1.00 51.89 ? 55 PRO L CG 1 ATOM 2258 C CD . PRO B 2 54 ? 10.261 -40.950 -14.581 1.00 51.35 ? 55 PRO L CD 1 ATOM 2259 N N . SER B 2 55 ? 8.471 -45.161 -14.143 1.00 65.71 ? 56 SER L N 1 ATOM 2260 C CA . SER B 2 55 ? 8.912 -46.538 -14.334 1.00 70.83 ? 56 SER L CA 1 ATOM 2261 C C . SER B 2 55 ? 9.433 -46.671 -15.754 1.00 70.17 ? 56 SER L C 1 ATOM 2262 O O . SER B 2 55 ? 8.782 -46.260 -16.716 1.00 70.35 ? 56 SER L O 1 ATOM 2263 C CB . SER B 2 55 ? 7.780 -47.531 -14.064 1.00 75.68 ? 56 SER L CB 1 ATOM 2264 O OG . SER B 2 55 ? 7.420 -47.513 -12.689 1.00 79.25 ? 56 SER L OG 1 ATOM 2265 N N . GLY B 2 56 ? 10.632 -47.221 -15.864 1.00 70.79 ? 57 GLY L N 1 ATOM 2266 C CA . GLY B 2 56 ? 11.311 -47.345 -17.147 1.00 69.99 ? 57 GLY L CA 1 ATOM 2267 C C . GLY B 2 56 ? 12.591 -46.544 -17.130 1.00 67.81 ? 57 GLY L C 1 ATOM 2268 O O . GLY B 2 56 ? 13.542 -46.833 -17.866 1.00 68.57 ? 57 GLY L O 1 ATOM 2269 N N . ILE B 2 57 ? 12.597 -45.525 -16.278 1.00 65.56 ? 58 ILE L N 1 ATOM 2270 C CA . ILE B 2 57 ? 13.814 -44.773 -15.971 1.00 63.27 ? 58 ILE L CA 1 ATOM 2271 C C . ILE B 2 57 ? 14.605 -45.518 -14.892 1.00 66.44 ? 58 ILE L C 1 ATOM 2272 O O . ILE B 2 57 ? 14.030 -45.995 -13.910 1.00 69.04 ? 58 ILE L O 1 ATOM 2273 C CB . ILE B 2 57 ? 13.512 -43.352 -15.485 1.00 60.17 ? 58 ILE L CB 1 ATOM 2274 C CG1 . ILE B 2 57 ? 12.865 -42.539 -16.610 1.00 58.71 ? 58 ILE L CG1 1 ATOM 2275 C CG2 . ILE B 2 57 ? 14.785 -42.680 -15.016 1.00 59.66 ? 58 ILE L CG2 1 ATOM 2276 C CD1 . ILE B 2 57 ? 13.748 -42.362 -17.841 1.00 58.35 ? 58 ILE L CD1 1 ATOM 2277 N N . PRO B 2 58 ? 15.929 -45.636 -15.073 1.00 66.94 ? 59 PRO L N 1 ATOM 2278 C CA . PRO B 2 58 ? 16.770 -46.306 -14.078 1.00 70.75 ? 59 PRO L CA 1 ATOM 2279 C C . PRO B 2 58 ? 16.709 -45.668 -12.696 1.00 71.41 ? 59 PRO L C 1 ATOM 2280 O O . PRO B 2 58 ? 16.629 -44.440 -12.566 1.00 68.25 ? 59 PRO L O 1 ATOM 2281 C CB . PRO B 2 58 ? 18.178 -46.175 -14.667 1.00 70.79 ? 59 PRO L CB 1 ATOM 2282 C CG . PRO B 2 58 ? 17.965 -45.984 -16.134 1.00 68.21 ? 59 PRO L CG 1 ATOM 2283 C CD . PRO B 2 58 ? 16.699 -45.209 -16.254 1.00 64.44 ? 59 PRO L CD 1 ATOM 2284 N N . ASP B 2 59 ? 16.747 -46.531 -11.684 1.00 75.44 ? 60 ASP L N 1 ATOM 2285 C CA . ASP B 2 59 ? 16.640 -46.128 -10.269 1.00 77.60 ? 60 ASP L CA 1 ATOM 2286 C C . ASP B 2 59 ? 17.623 -45.034 -9.873 1.00 76.09 ? 60 ASP L C 1 ATOM 2287 O O . ASP B 2 59 ? 17.347 -44.239 -8.973 1.00 77.00 ? 60 ASP L O 1 ATOM 2288 C CB . ASP B 2 59 ? 16.852 -47.324 -9.326 1.00 84.15 ? 60 ASP L CB 1 ATOM 2289 C CG . ASP B 2 59 ? 15.617 -48.204 -9.202 1.00 90.68 ? 60 ASP L CG 1 ATOM 2290 O OD1 . ASP B 2 59 ? 14.550 -47.801 -9.711 1.00 94.07 ? 60 ASP L OD1 1 ATOM 2291 O OD2 . ASP B 2 59 ? 15.711 -49.295 -8.588 1.00 94.34 ? 60 ASP L OD2 1 ATOM 2292 N N . HIS B 2 60 ? 18.768 -45.007 -10.545 1.00 74.34 ? 61 HIS L N 1 ATOM 2293 C CA . HIS B 2 60 ? 19.889 -44.128 -10.147 1.00 73.48 ? 61 HIS L CA 1 ATOM 2294 C C . HIS B 2 60 ? 19.694 -42.670 -10.562 1.00 68.44 ? 61 HIS L C 1 ATOM 2295 O O . HIS B 2 60 ? 20.588 -41.839 -10.397 1.00 67.74 ? 61 HIS L O 1 ATOM 2296 C CB . HIS B 2 60 ? 21.241 -44.654 -10.656 1.00 75.07 ? 61 HIS L CB 1 ATOM 2297 C CG . HIS B 2 60 ? 21.361 -44.695 -12.146 1.00 74.08 ? 61 HIS L CG 1 ATOM 2298 N ND1 . HIS B 2 60 ? 21.800 -43.619 -12.885 1.00 74.92 ? 61 HIS L ND1 1 ATOM 2299 C CD2 . HIS B 2 60 ? 21.116 -45.687 -13.034 1.00 77.61 ? 61 HIS L CD2 1 ATOM 2300 C CE1 . HIS B 2 60 ? 21.811 -43.943 -14.165 1.00 74.27 ? 61 HIS L CE1 1 ATOM 2301 N NE2 . HIS B 2 60 ? 21.398 -45.192 -14.284 1.00 76.04 ? 61 HIS L NE2 1 ATOM 2302 N N . PHE B 2 61 ? 18.517 -42.373 -11.093 1.00 65.01 ? 62 PHE L N 1 ATOM 2303 C CA . PHE B 2 61 ? 18.117 -40.985 -11.339 1.00 61.47 ? 62 PHE L CA 1 ATOM 2304 C C . PHE B 2 61 ? 17.293 -40.492 -10.166 1.00 63.03 ? 62 PHE L C 1 ATOM 2305 O O . PHE B 2 61 ? 16.431 -41.199 -9.635 1.00 64.70 ? 62 PHE L O 1 ATOM 2306 C CB . PHE B 2 61 ? 17.300 -40.828 -12.628 1.00 58.06 ? 62 PHE L CB 1 ATOM 2307 C CG . PHE B 2 61 ? 18.124 -40.842 -13.884 1.00 56.26 ? 62 PHE L CG 1 ATOM 2308 C CD1 . PHE B 2 61 ? 18.713 -42.013 -14.330 1.00 61.13 ? 62 PHE L CD1 1 ATOM 2309 C CD2 . PHE B 2 61 ? 18.285 -39.694 -14.639 1.00 51.98 ? 62 PHE L CD2 1 ATOM 2310 C CE1 . PHE B 2 61 ? 19.459 -42.028 -15.494 1.00 60.27 ? 62 PHE L CE1 1 ATOM 2311 C CE2 . PHE B 2 61 ? 19.034 -39.707 -15.804 1.00 50.87 ? 62 PHE L CE2 1 ATOM 2312 C CZ . PHE B 2 61 ? 19.617 -40.870 -16.229 1.00 54.53 ? 62 PHE L CZ 1 ATOM 2313 N N . SER B 2 62 ? 17.582 -39.267 -9.764 1.00 62.95 ? 63 SER L N 1 ATOM 2314 C CA . SER B 2 62 ? 16.813 -38.604 -8.716 1.00 64.93 ? 63 SER L CA 1 ATOM 2315 C C . SER B 2 62 ? 16.918 -37.101 -8.824 1.00 63.53 ? 63 SER L C 1 ATOM 2316 O O . SER B 2 62 ? 17.887 -36.565 -9.351 1.00 62.88 ? 63 SER L O 1 ATOM 2317 C CB . SER B 2 62 ? 17.269 -39.065 -7.335 1.00 69.65 ? 63 SER L CB 1 ATOM 2318 O OG . SER B 2 62 ? 18.645 -38.798 -7.126 1.00 72.23 ? 63 SER L OG 1 ATOM 2319 N N . GLY B 2 63 ? 15.893 -36.433 -8.323 1.00 64.54 ? 64 GLY L N 1 ATOM 2320 C CA . GLY B 2 63 ? 15.809 -34.986 -8.411 1.00 63.66 ? 64 GLY L CA 1 ATOM 2321 C C . GLY B 2 63 ? 15.456 -34.324 -7.105 1.00 67.33 ? 64 GLY L C 1 ATOM 2322 O O . GLY B 2 63 ? 14.835 -34.916 -6.223 1.00 69.67 ? 64 GLY L O 1 ATOM 2323 N N . SER B 2 64 ? 15.867 -33.070 -7.006 1.00 68.52 ? 65 SER L N 1 ATOM 2324 C CA . SER B 2 64 ? 15.513 -32.227 -5.869 1.00 72.25 ? 65 SER L CA 1 ATOM 2325 C C . SER B 2 64 ? 15.296 -30.794 -6.298 1.00 70.21 ? 65 SER L C 1 ATOM 2326 O O . SER B 2 64 ? 15.718 -30.388 -7.376 1.00 67.27 ? 65 SER L O 1 ATOM 2327 C CB . SER B 2 64 ? 16.601 -32.300 -4.799 1.00 76.99 ? 65 SER L CB 1 ATOM 2328 O OG . SER B 2 64 ? 17.877 -32.416 -5.401 1.00 79.08 ? 65 SER L OG 1 ATOM 2329 N N . ASN B 2 65 ? 14.614 -30.048 -5.438 1.00 72.70 ? 66 ASN L N 1 ATOM 2330 C CA . ASN B 2 65 ? 14.325 -28.633 -5.684 1.00 72.52 ? 66 ASN L CA 1 ATOM 2331 C C . ASN B 2 65 ? 14.243 -27.812 -4.407 1.00 76.99 ? 66 ASN L C 1 ATOM 2332 O O . ASN B 2 65 ? 13.227 -27.797 -3.716 1.00 78.58 ? 66 ASN L O 1 ATOM 2333 C CB . ASN B 2 65 ? 13.020 -28.488 -6.472 1.00 70.09 ? 66 ASN L CB 1 ATOM 2334 C CG . ASN B 2 65 ? 12.776 -27.065 -6.943 1.00 71.64 ? 66 ASN L CG 1 ATOM 2335 O OD1 . ASN B 2 65 ? 13.547 -26.155 -6.639 1.00 78.56 ? 66 ASN L OD1 1 ATOM 2336 N ND2 . ASN B 2 65 ? 11.697 -26.866 -7.692 1.00 68.10 ? 66 ASN L ND2 1 ATOM 2337 N N . SER B 2 66 ? 15.344 -27.137 -4.111 1.00 79.68 ? 67 SER L N 1 ATOM 2338 C CA . SER B 2 66 ? 15.425 -26.222 -2.973 1.00 85.30 ? 67 SER L CA 1 ATOM 2339 C C . SER B 2 66 ? 16.219 -24.978 -3.325 1.00 86.97 ? 67 SER L C 1 ATOM 2340 O O . SER B 2 66 ? 16.948 -24.942 -4.318 1.00 84.01 ? 67 SER L O 1 ATOM 2341 C CB . SER B 2 66 ? 16.074 -26.913 -1.775 1.00 89.16 ? 67 SER L CB 1 ATOM 2342 O OG . SER B 2 66 ? 17.362 -27.397 -2.112 1.00 87.26 ? 67 SER L OG 1 ATOM 2343 N N . GLY B 2 67 ? 16.056 -23.963 -2.490 1.00 92.17 ? 68 GLY L N 1 ATOM 2344 C CA . GLY B 2 67 ? 16.800 -22.711 -2.620 1.00 95.06 ? 68 GLY L CA 1 ATOM 2345 C C . GLY B 2 67 ? 16.829 -22.212 -4.047 1.00 91.54 ? 68 GLY L C 1 ATOM 2346 O O . GLY B 2 67 ? 17.844 -21.722 -4.536 1.00 91.77 ? 68 GLY L O 1 ATOM 2347 N N . ASN B 2 68 ? 15.698 -22.381 -4.716 1.00 89.05 ? 69 ASN L N 1 ATOM 2348 C CA . ASN B 2 68 ? 15.506 -21.934 -6.096 1.00 86.61 ? 69 ASN L CA 1 ATOM 2349 C C . ASN B 2 68 ? 16.540 -22.504 -7.060 1.00 84.05 ? 69 ASN L C 1 ATOM 2350 O O . ASN B 2 68 ? 16.944 -21.852 -8.024 1.00 83.55 ? 69 ASN L O 1 ATOM 2351 C CB . ASN B 2 68 ? 15.478 -20.407 -6.170 1.00 90.48 ? 69 ASN L CB 1 ATOM 2352 C CG . ASN B 2 68 ? 14.288 -19.820 -5.446 1.00 93.80 ? 69 ASN L CG 1 ATOM 2353 O OD1 . ASN B 2 68 ? 13.339 -20.531 -5.114 1.00 91.84 ? 69 ASN L OD1 1 ATOM 2354 N ND2 . ASN B 2 68 ? 14.328 -18.516 -5.197 1.00 98.87 ? 69 ASN L ND2 1 ATOM 2355 N N . MET B 2 69 ? 16.945 -23.739 -6.787 1.00 82.92 ? 70 MET L N 1 ATOM 2356 C CA . MET B 2 69 ? 17.915 -24.452 -7.623 1.00 80.07 ? 70 MET L CA 1 ATOM 2357 C C . MET B 2 69 ? 17.659 -25.955 -7.644 1.00 76.54 ? 70 MET L C 1 ATOM 2358 O O . MET B 2 69 ? 17.951 -26.670 -6.686 1.00 78.20 ? 70 MET L O 1 ATOM 2359 C CB . MET B 2 69 ? 19.336 -24.175 -7.126 1.00 83.84 ? 70 MET L CB 1 ATOM 2360 C CG . MET B 2 69 ? 20.440 -24.839 -7.942 1.00 83.39 ? 70 MET L CG 1 ATOM 2361 S SD . MET B 2 69 ? 22.089 -24.494 -7.277 1.00 92.46 ? 70 MET L SD 1 ATOM 2362 C CE . MET B 2 69 ? 22.059 -25.439 -5.750 1.00 93.96 ? 70 MET L CE 1 ATOM 2363 N N . ALA B 2 70 ? 17.104 -26.416 -8.755 1.00 72.05 ? 71 ALA L N 1 ATOM 2364 C CA . ALA B 2 70 ? 16.841 -27.843 -8.949 1.00 68.34 ? 71 ALA L CA 1 ATOM 2365 C C . ALA B 2 70 ? 18.142 -28.557 -9.257 1.00 66.87 ? 71 ALA L C 1 ATOM 2366 O O . ALA B 2 70 ? 19.103 -27.961 -9.725 1.00 67.58 ? 71 ALA L O 1 ATOM 2367 C CB . ALA B 2 70 ? 15.831 -28.071 -10.076 1.00 65.12 ? 71 ALA L CB 1 ATOM 2368 N N . THR B 2 71 ? 18.159 -29.846 -8.969 1.00 65.98 ? 72 THR L N 1 ATOM 2369 C CA . THR B 2 71 ? 19.320 -30.681 -9.252 1.00 65.25 ? 72 THR L CA 1 ATOM 2370 C C . THR B 2 71 ? 18.926 -32.077 -9.669 1.00 62.85 ? 72 THR L C 1 ATOM 2371 O O . THR B 2 71 ? 18.315 -32.817 -8.900 1.00 64.20 ? 72 THR L O 1 ATOM 2372 C CB . THR B 2 71 ? 20.234 -30.796 -8.034 1.00 68.90 ? 72 THR L CB 1 ATOM 2373 O OG1 . THR B 2 71 ? 19.438 -30.832 -6.846 1.00 71.08 ? 72 THR L OG1 1 ATOM 2374 C CG2 . THR B 2 71 ? 21.165 -29.608 -7.969 1.00 72.76 ? 72 THR L CG2 1 ATOM 2375 N N . LEU B 2 72 ? 19.286 -32.413 -10.901 1.00 59.62 ? 73 LEU L N 1 ATOM 2376 C CA . LEU B 2 72 ? 19.159 -33.780 -11.398 1.00 57.34 ? 73 LEU L CA 1 ATOM 2377 C C . LEU B 2 72 ? 20.416 -34.537 -11.042 1.00 58.85 ? 73 LEU L C 1 ATOM 2378 O O . LEU B 2 72 ? 21.515 -34.197 -11.479 1.00 59.57 ? 73 LEU L O 1 ATOM 2379 C CB . LEU B 2 72 ? 18.948 -33.816 -12.913 1.00 54.54 ? 73 LEU L CB 1 ATOM 2380 C CG . LEU B 2 72 ? 18.862 -35.219 -13.516 1.00 52.95 ? 73 LEU L CG 1 ATOM 2381 C CD1 . LEU B 2 72 ? 17.655 -35.957 -12.959 1.00 52.50 ? 73 LEU L CD1 1 ATOM 2382 C CD2 . LEU B 2 72 ? 18.800 -35.153 -15.027 1.00 50.75 ? 73 LEU L CD2 1 ATOM 2383 N N . THR B 2 73 ? 20.231 -35.571 -10.241 1.00 60.37 ? 74 THR L N 1 ATOM 2384 C CA . THR B 2 73 ? 21.330 -36.412 -9.789 1.00 62.94 ? 74 THR L CA 1 ATOM 2385 C C . THR B 2 73 ? 21.364 -37.692 -10.587 1.00 62.06 ? 74 THR L C 1 ATOM 2386 O O . THR B 2 73 ? 20.368 -38.404 -10.674 1.00 61.55 ? 74 THR L O 1 ATOM 2387 C CB . THR B 2 73 ? 21.176 -36.775 -8.307 1.00 66.46 ? 74 THR L CB 1 ATOM 2388 O OG1 . THR B 2 73 ? 20.865 -35.593 -7.554 1.00 68.05 ? 74 THR L OG1 1 ATOM 2389 C CG2 . THR B 2 73 ? 22.453 -37.416 -7.780 1.00 69.88 ? 74 THR L CG2 1 ATOM 2390 N N . ILE B 2 74 ? 22.516 -37.966 -11.182 1.00 62.63 ? 75 ILE L N 1 ATOM 2391 C CA . ILE B 2 74 ? 22.740 -39.231 -11.870 1.00 63.35 ? 75 ILE L CA 1 ATOM 2392 C C . ILE B 2 74 ? 23.775 -40.053 -11.123 1.00 68.07 ? 75 ILE L C 1 ATOM 2393 O O . ILE B 2 74 ? 24.950 -40.091 -11.486 1.00 69.47 ? 75 ILE L O 1 ATOM 2394 C CB . ILE B 2 74 ? 23.195 -39.036 -13.329 1.00 61.20 ? 75 ILE L CB 1 ATOM 2395 C CG1 . ILE B 2 74 ? 22.219 -38.131 -14.082 1.00 57.92 ? 75 ILE L CG1 1 ATOM 2396 C CG2 . ILE B 2 74 ? 23.294 -40.385 -14.031 1.00 62.08 ? 75 ILE L CG2 1 ATOM 2397 C CD1 . ILE B 2 74 ? 22.668 -37.803 -15.502 1.00 54.02 ? 75 ILE L CD1 1 ATOM 2398 N N . SER B 2 75 ? 23.314 -40.710 -10.070 1.00 71.38 ? 76 SER L N 1 ATOM 2399 C CA . SER B 2 75 ? 24.165 -41.616 -9.295 1.00 76.73 ? 76 SER L CA 1 ATOM 2400 C C . SER B 2 75 ? 24.586 -42.762 -10.183 1.00 77.27 ? 76 SER L C 1 ATOM 2401 O O . SER B 2 75 ? 23.869 -43.145 -11.107 1.00 75.45 ? 76 SER L O 1 ATOM 2402 C CB . SER B 2 75 ? 23.430 -42.173 -8.067 1.00 79.77 ? 76 SER L CB 1 ATOM 2403 O OG . SER B 2 75 ? 22.779 -41.146 -7.343 1.00 81.23 ? 76 SER L OG 1 ATOM 2404 N N . LYS B 2 76 ? 25.759 -43.304 -9.899 1.00 80.67 ? 77 LYS L N 1 ATOM 2405 C CA . LYS B 2 76 ? 26.182 -44.544 -10.530 1.00 82.27 ? 77 LYS L CA 1 ATOM 2406 C C . LYS B 2 76 ? 25.981 -44.441 -12.033 1.00 77.30 ? 77 LYS L C 1 ATOM 2407 O O . LYS B 2 76 ? 25.203 -45.182 -12.632 1.00 76.12 ? 77 LYS L O 1 ATOM 2408 C CB . LYS B 2 76 ? 25.373 -45.710 -9.951 1.00 85.29 ? 77 LYS L CB 1 ATOM 2409 C CG . LYS B 2 76 ? 25.225 -45.643 -8.435 1.00 89.90 ? 77 LYS L CG 1 ATOM 2410 C CD . LYS B 2 76 ? 24.513 -46.852 -7.871 1.00 94.68 ? 77 LYS L CD 1 ATOM 2411 C CE . LYS B 2 76 ? 24.802 -46.997 -6.372 1.00 102.28 ? 77 LYS L CE 1 ATOM 2412 N NZ . LYS B 2 76 ? 24.489 -48.356 -5.835 1.00 109.47 ? 77 LYS L NZ 1 ATOM 2413 N N . ALA B 2 77 ? 26.716 -43.512 -12.624 1.00 74.96 ? 78 ALA L N 1 ATOM 2414 C CA . ALA B 2 77 ? 26.531 -43.137 -14.033 1.00 71.58 ? 78 ALA L CA 1 ATOM 2415 C C . ALA B 2 77 ? 26.988 -44.204 -15.007 1.00 73.28 ? 78 ALA L C 1 ATOM 2416 O O . ALA B 2 77 ? 28.090 -44.730 -14.909 1.00 77.67 ? 78 ALA L O 1 ATOM 2417 C CB . ALA B 2 77 ? 27.250 -41.823 -14.337 1.00 70.61 ? 78 ALA L CB 1 ATOM 2418 N N . GLN B 2 78 ? 26.116 -44.496 -15.959 1.00 71.34 ? 79 GLN L N 1 ATOM 2419 C CA . GLN B 2 78 ? 26.411 -45.436 -17.038 1.00 73.49 ? 79 GLN L CA 1 ATOM 2420 C C . GLN B 2 78 ? 26.700 -44.687 -18.325 1.00 70.80 ? 79 GLN L C 1 ATOM 2421 O O . GLN B 2 78 ? 26.530 -43.474 -18.406 1.00 68.21 ? 79 GLN L O 1 ATOM 2422 C CB . GLN B 2 78 ? 25.241 -46.397 -17.257 1.00 74.12 ? 79 GLN L CB 1 ATOM 2423 C CG . GLN B 2 78 ? 24.982 -47.342 -16.088 1.00 80.18 ? 79 GLN L CG 1 ATOM 2424 C CD . GLN B 2 78 ? 23.720 -48.178 -16.275 1.00 83.83 ? 79 GLN L CD 1 ATOM 2425 O OE1 . GLN B 2 78 ? 22.742 -47.725 -16.870 1.00 84.05 ? 79 GLN L OE1 1 ATOM 2426 N NE2 . GLN B 2 78 ? 23.739 -49.403 -15.763 1.00 88.40 ? 79 GLN L NE2 1 ATOM 2427 N N . ALA B 2 79 ? 27.118 -45.438 -19.334 1.00 72.15 ? 80 ALA L N 1 ATOM 2428 C CA . ALA B 2 79 ? 27.494 -44.867 -20.633 1.00 71.33 ? 80 ALA L CA 1 ATOM 2429 C C . ALA B 2 79 ? 26.245 -44.501 -21.425 1.00 68.43 ? 80 ALA L C 1 ATOM 2430 O O . ALA B 2 79 ? 26.287 -43.719 -22.378 1.00 67.58 ? 80 ALA L O 1 ATOM 2431 C CB . ALA B 2 79 ? 28.354 -45.844 -21.420 1.00 75.10 ? 80 ALA L CB 1 ATOM 2432 N N . GLY B 2 80 ? 25.130 -45.077 -21.005 1.00 67.45 ? 81 GLY L N 1 ATOM 2433 C CA . GLY B 2 80 ? 23.849 -44.873 -21.666 1.00 65.15 ? 81 GLY L CA 1 ATOM 2434 C C . GLY B 2 80 ? 23.141 -43.669 -21.095 1.00 61.94 ? 81 GLY L C 1 ATOM 2435 O O . GLY B 2 80 ? 22.004 -43.359 -21.464 1.00 60.06 ? 81 GLY L O 1 ATOM 2436 N N . ASP B 2 81 ? 23.822 -43.002 -20.174 1.00 61.94 ? 82 ASP L N 1 ATOM 2437 C CA . ASP B 2 81 ? 23.301 -41.776 -19.562 1.00 59.31 ? 82 ASP L CA 1 ATOM 2438 C C . ASP B 2 81 ? 23.916 -40.577 -20.251 1.00 58.60 ? 82 ASP L C 1 ATOM 2439 O O . ASP B 2 81 ? 23.544 -39.430 -20.013 1.00 56.86 ? 82 ASP L O 1 ATOM 2440 C CB . ASP B 2 81 ? 23.594 -41.754 -18.065 1.00 59.83 ? 82 ASP L CB 1 ATOM 2441 C CG . ASP B 2 81 ? 23.015 -42.953 -17.352 1.00 61.64 ? 82 ASP L CG 1 ATOM 2442 O OD1 . ASP B 2 81 ? 21.848 -43.303 -17.639 1.00 58.99 ? 82 ASP L OD1 1 ATOM 2443 O OD2 . ASP B 2 81 ? 23.725 -43.551 -16.512 1.00 64.98 ? 82 ASP L OD2 1 ATOM 2444 N N . GLU B 2 82 ? 24.852 -40.878 -21.133 1.00 60.87 ? 83 GLU L N 1 ATOM 2445 C CA . GLU B 2 82 ? 25.539 -39.850 -21.907 1.00 61.81 ? 83 GLU L CA 1 ATOM 2446 C C . GLU B 2 82 ? 24.546 -39.212 -22.853 1.00 59.18 ? 83 GLU L C 1 ATOM 2447 O O . GLU B 2 82 ? 24.213 -39.770 -23.894 1.00 60.40 ? 83 GLU L O 1 ATOM 2448 C CB . GLU B 2 82 ? 26.731 -40.444 -22.673 1.00 65.92 ? 83 GLU L CB 1 ATOM 2449 C CG . GLU B 2 82 ? 27.458 -39.457 -23.584 1.00 70.52 ? 83 GLU L CG 1 ATOM 2450 C CD . GLU B 2 82 ? 28.953 -39.746 -23.705 1.00 79.79 ? 83 GLU L CD 1 ATOM 2451 O OE1 . GLU B 2 82 ? 29.412 -40.800 -23.210 1.00 84.24 ? 83 GLU L OE1 1 ATOM 2452 O OE2 . GLU B 2 82 ? 29.673 -38.908 -24.293 1.00 83.93 ? 83 GLU L OE2 1 ATOM 2453 N N . ALA B 2 83 ? 24.061 -38.041 -22.467 1.00 56.39 ? 84 ALA L N 1 ATOM 2454 C CA . ALA B 2 83 ? 23.053 -37.328 -23.259 1.00 54.91 ? 84 ALA L CA 1 ATOM 2455 C C . ALA B 2 83 ? 22.937 -35.850 -22.908 1.00 54.52 ? 84 ALA L C 1 ATOM 2456 O O . ALA B 2 83 ? 23.736 -35.305 -22.145 1.00 55.16 ? 84 ALA L O 1 ATOM 2457 C CB . ALA B 2 83 ? 21.703 -37.997 -23.100 1.00 52.22 ? 84 ALA L CB 1 ATOM 2458 N N . ASP B 2 84 ? 21.927 -35.216 -23.489 1.00 54.13 ? 85 ASP L N 1 ATOM 2459 C CA . ASP B 2 84 ? 21.585 -33.830 -23.170 1.00 54.26 ? 85 ASP L CA 1 ATOM 2460 C C . ASP B 2 84 ? 20.397 -33.810 -22.223 1.00 51.59 ? 85 ASP L C 1 ATOM 2461 O O . ASP B 2 84 ? 19.407 -34.518 -22.426 1.00 50.97 ? 85 ASP L O 1 ATOM 2462 C CB . ASP B 2 84 ? 21.259 -33.021 -24.431 1.00 56.46 ? 85 ASP L CB 1 ATOM 2463 C CG . ASP B 2 84 ? 22.500 -32.589 -25.189 1.00 62.40 ? 85 ASP L CG 1 ATOM 2464 O OD1 . ASP B 2 84 ? 23.598 -32.591 -24.587 1.00 66.24 ? 85 ASP L OD1 1 ATOM 2465 O OD2 . ASP B 2 84 ? 22.373 -32.238 -26.387 1.00 66.70 ? 85 ASP L OD2 1 ATOM 2466 N N . TYR B 2 85 ? 20.516 -32.991 -21.187 1.00 50.45 ? 86 TYR L N 1 ATOM 2467 C CA . TYR B 2 85 ? 19.475 -32.877 -20.167 1.00 48.20 ? 86 TYR L CA 1 ATOM 2468 C C . TYR B 2 85 ? 18.970 -31.451 -20.019 1.00 48.61 ? 86 TYR L C 1 ATOM 2469 O O . TYR B 2 85 ? 19.721 -30.520 -19.712 1.00 49.83 ? 86 TYR L O 1 ATOM 2470 C CB . TYR B 2 85 ? 19.977 -33.408 -18.819 1.00 47.50 ? 86 TYR L CB 1 ATOM 2471 C CG . TYR B 2 85 ? 20.327 -34.882 -18.849 1.00 47.21 ? 86 TYR L CG 1 ATOM 2472 C CD1 . TYR B 2 85 ? 21.551 -35.313 -19.343 1.00 47.15 ? 86 TYR L CD1 1 ATOM 2473 C CD2 . TYR B 2 85 ? 19.431 -35.843 -18.394 1.00 43.00 ? 86 TYR L CD2 1 ATOM 2474 C CE1 . TYR B 2 85 ? 21.871 -36.655 -19.378 1.00 45.92 ? 86 TYR L CE1 1 ATOM 2475 C CE2 . TYR B 2 85 ? 19.743 -37.186 -18.427 1.00 40.20 ? 86 TYR L CE2 1 ATOM 2476 C CZ . TYR B 2 85 ? 20.965 -37.588 -18.918 1.00 42.85 ? 86 TYR L CZ 1 ATOM 2477 O OH . TYR B 2 85 ? 21.284 -38.928 -18.953 1.00 40.94 ? 86 TYR L OH 1 ATOM 2478 N N . TYR B 2 86 ? 17.674 -31.304 -20.254 1.00 47.55 ? 87 TYR L N 1 ATOM 2479 C CA . TYR B 2 86 ? 16.983 -30.043 -20.048 1.00 47.84 ? 87 TYR L CA 1 ATOM 2480 C C . TYR B 2 86 ? 16.031 -30.159 -18.882 1.00 46.88 ? 87 TYR L C 1 ATOM 2481 O O . TYR B 2 86 ? 15.216 -31.076 -18.818 1.00 45.93 ? 87 TYR L O 1 ATOM 2482 C CB . TYR B 2 86 ? 16.192 -29.643 -21.295 1.00 48.19 ? 87 TYR L CB 1 ATOM 2483 C CG . TYR B 2 86 ? 17.030 -29.569 -22.544 1.00 49.82 ? 87 TYR L CG 1 ATOM 2484 C CD1 . TYR B 2 86 ? 17.311 -30.707 -23.276 1.00 51.50 ? 87 TYR L CD1 1 ATOM 2485 C CD2 . TYR B 2 86 ? 17.549 -28.368 -22.985 1.00 52.21 ? 87 TYR L CD2 1 ATOM 2486 C CE1 . TYR B 2 86 ? 18.079 -30.652 -24.419 1.00 51.69 ? 87 TYR L CE1 1 ATOM 2487 C CE2 . TYR B 2 86 ? 18.325 -28.305 -24.130 1.00 54.39 ? 87 TYR L CE2 1 ATOM 2488 C CZ . TYR B 2 86 ? 18.582 -29.454 -24.840 1.00 52.52 ? 87 TYR L CZ 1 ATOM 2489 O OH . TYR B 2 86 ? 19.351 -29.412 -25.977 1.00 60.91 ? 87 TYR L OH 1 ATOM 2490 N N . CYS B 2 87 ? 16.154 -29.226 -17.951 1.00 48.44 ? 88 CYS L N 1 ATOM 2491 C CA . CYS B 2 87 ? 15.119 -29.032 -16.942 1.00 49.26 ? 88 CYS L CA 1 ATOM 2492 C C . CYS B 2 87 ? 14.024 -28.209 -17.571 1.00 49.69 ? 88 CYS L C 1 ATOM 2493 O O . CYS B 2 87 ? 14.176 -27.665 -18.662 1.00 50.12 ? 88 CYS L O 1 ATOM 2494 C CB . CYS B 2 87 ? 15.644 -28.328 -15.691 1.00 51.17 ? 88 CYS L CB 1 ATOM 2495 S SG . CYS B 2 87 ? 16.287 -26.672 -15.965 1.00 57.81 ? 88 CYS L SG 1 ATOM 2496 N N . GLN B 2 88 ? 12.914 -28.128 -16.862 1.00 49.97 ? 89 GLN L N 1 ATOM 2497 C CA . GLN B 2 88 ? 11.707 -27.509 -17.403 1.00 50.61 ? 89 GLN L CA 1 ATOM 2498 C C . GLN B 2 88 ? 10.777 -27.101 -16.286 1.00 51.23 ? 89 GLN L C 1 ATOM 2499 O O . GLN B 2 88 ? 10.752 -27.713 -15.219 1.00 50.64 ? 89 GLN L O 1 ATOM 2500 C CB . GLN B 2 88 ? 10.999 -28.475 -18.362 1.00 49.45 ? 89 GLN L CB 1 ATOM 2501 C CG . GLN B 2 88 ? 9.720 -27.943 -18.995 1.00 50.29 ? 89 GLN L CG 1 ATOM 2502 C CD . GLN B 2 88 ? 8.467 -28.410 -18.268 1.00 51.01 ? 89 GLN L CD 1 ATOM 2503 O OE1 . GLN B 2 88 ? 8.112 -29.588 -18.313 1.00 50.44 ? 89 GLN L OE1 1 ATOM 2504 N NE2 . GLN B 2 88 ? 7.787 -27.485 -17.606 1.00 51.43 ? 89 GLN L NE2 1 ATOM 2505 N N . SER B 2 89 ? 10.008 -26.060 -16.549 1.00 53.07 ? 90 SER L N 1 ATOM 2506 C CA . SER B 2 89 ? 9.129 -25.502 -15.526 1.00 55.02 ? 90 SER L CA 1 ATOM 2507 C C . SER B 2 89 ? 8.063 -24.562 -16.073 1.00 57.09 ? 90 SER L C 1 ATOM 2508 O O . SER B 2 89 ? 7.660 -24.650 -17.234 1.00 56.45 ? 90 SER L O 1 ATOM 2509 C CB . SER B 2 89 ? 9.957 -24.775 -14.464 1.00 56.63 ? 90 SER L CB 1 ATOM 2510 O OG . SER B 2 89 ? 9.174 -24.514 -13.320 1.00 60.93 ? 90 SER L OG 1 ATOM 2511 N N . TRP B 2 90 ? 7.628 -23.660 -15.205 1.00 59.72 ? 91 TRP L N 1 ATOM 2512 C CA . TRP B 2 90 ? 6.508 -22.775 -15.501 1.00 62.97 ? 91 TRP L CA 1 ATOM 2513 C C . TRP B 2 90 ? 6.733 -21.362 -14.995 1.00 68.35 ? 91 TRP L C 1 ATOM 2514 O O . TRP B 2 90 ? 6.896 -21.137 -13.796 1.00 70.23 ? 91 TRP L O 1 ATOM 2515 C CB . TRP B 2 90 ? 5.235 -23.340 -14.883 1.00 62.52 ? 91 TRP L CB 1 ATOM 2516 C CG . TRP B 2 90 ? 4.114 -22.369 -14.821 1.00 64.28 ? 91 TRP L CG 1 ATOM 2517 C CD1 . TRP B 2 90 ? 3.782 -21.572 -13.770 1.00 67.02 ? 91 TRP L CD1 1 ATOM 2518 C CD2 . TRP B 2 90 ? 3.171 -22.085 -15.857 1.00 66.15 ? 91 TRP L CD2 1 ATOM 2519 N NE1 . TRP B 2 90 ? 2.688 -20.806 -14.083 1.00 70.49 ? 91 TRP L NE1 1 ATOM 2520 C CE2 . TRP B 2 90 ? 2.292 -21.103 -15.360 1.00 71.34 ? 91 TRP L CE2 1 ATOM 2521 C CE3 . TRP B 2 90 ? 2.983 -22.564 -17.158 1.00 65.42 ? 91 TRP L CE3 1 ATOM 2522 C CZ2 . TRP B 2 90 ? 1.242 -20.586 -16.119 1.00 76.73 ? 91 TRP L CZ2 1 ATOM 2523 C CZ3 . TRP B 2 90 ? 1.940 -22.055 -17.910 1.00 69.73 ? 91 TRP L CZ3 1 ATOM 2524 C CH2 . TRP B 2 90 ? 1.081 -21.075 -17.389 1.00 76.01 ? 91 TRP L CH2 1 ATOM 2525 N N . ASP B 2 91 ? 6.744 -20.419 -15.929 1.00 71.74 ? 92 ASP L N 1 ATOM 2526 C CA . ASP B 2 91 ? 6.841 -19.003 -15.582 1.00 77.45 ? 92 ASP L CA 1 ATOM 2527 C C . ASP B 2 91 ? 5.460 -18.501 -15.217 1.00 81.28 ? 92 ASP L C 1 ATOM 2528 O O . ASP B 2 91 ? 4.521 -18.580 -16.009 1.00 81.62 ? 92 ASP L O 1 ATOM 2529 C CB . ASP B 2 91 ? 7.416 -18.170 -16.732 1.00 80.10 ? 92 ASP L CB 1 ATOM 2530 C CG . ASP B 2 91 ? 7.650 -16.722 -16.340 1.00 87.12 ? 92 ASP L CG 1 ATOM 2531 O OD1 . ASP B 2 91 ? 8.238 -16.485 -15.264 1.00 89.91 ? 92 ASP L OD1 1 ATOM 2532 O OD2 . ASP B 2 91 ? 7.230 -15.819 -17.095 1.00 92.91 ? 92 ASP L OD2 1 ATOM 2533 N N . GLY B 2 92 ? 5.351 -17.998 -13.996 1.00 84.58 ? 93 GLY L N 1 ATOM 2534 C CA . GLY B 2 92 ? 4.079 -17.539 -13.457 1.00 88.48 ? 93 GLY L CA 1 ATOM 2535 C C . GLY B 2 92 ? 3.944 -16.037 -13.521 1.00 94.59 ? 93 GLY L C 1 ATOM 2536 O O . GLY B 2 92 ? 3.129 -15.441 -12.818 1.00 99.30 ? 93 GLY L O 1 ATOM 2537 N N . THR B 2 93 ? 4.766 -15.426 -14.358 1.00 95.78 ? 94 THR L N 1 ATOM 2538 C CA . THR B 2 93 ? 4.680 -13.990 -14.603 1.00 102.39 ? 94 THR L CA 1 ATOM 2539 C C . THR B 2 93 ? 3.886 -13.826 -15.879 1.00 104.39 ? 94 THR L C 1 ATOM 2540 O O . THR B 2 93 ? 2.712 -13.441 -15.861 1.00 108.29 ? 94 THR L O 1 ATOM 2541 C CB . THR B 2 93 ? 6.071 -13.347 -14.753 1.00 103.62 ? 94 THR L CB 1 ATOM 2542 O OG1 . THR B 2 93 ? 6.700 -13.274 -13.468 1.00 103.65 ? 94 THR L OG1 1 ATOM 2543 C CG2 . THR B 2 93 ? 5.959 -11.946 -15.345 1.00 110.19 ? 94 THR L CG2 1 ATOM 2544 N N . ASN B 2 94 ? 4.564 -14.090 -16.987 1.00 102.76 ? 95 ASN L N 1 ATOM 2545 C CA . ASN B 2 94 ? 3.889 -14.549 -18.190 1.00 102.23 ? 95 ASN L CA 1 ATOM 2546 C C . ASN B 2 94 ? 3.312 -15.880 -17.801 1.00 97.19 ? 95 ASN L C 1 ATOM 2547 O O . ASN B 2 94 ? 3.638 -16.418 -16.739 1.00 95.54 ? 95 ASN L O 1 ATOM 2548 C CB . ASN B 2 94 ? 4.866 -14.711 -19.349 1.00 101.11 ? 95 ASN L CB 1 ATOM 2549 C CG . ASN B 2 94 ? 6.005 -13.718 -19.282 1.00 106.20 ? 95 ASN L CG 1 ATOM 2550 O OD1 . ASN B 2 94 ? 6.044 -12.740 -20.035 1.00 112.78 ? 95 ASN L OD1 1 ATOM 2551 N ND2 . ASN B 2 94 ? 6.928 -13.947 -18.356 1.00 103.50 ? 95 ASN L ND2 1 ATOM 2552 N N . SER B 2 95 A 2.412 -16.375 -18.633 1.00 96.10 ? 95 SER L N 1 ATOM 2553 C CA . SER B 2 95 A 1.834 -17.702 -18.440 1.00 90.85 ? 95 SER L CA 1 ATOM 2554 C C . SER B 2 95 A 2.393 -18.630 -19.491 1.00 85.80 ? 95 SER L C 1 ATOM 2555 O O . SER B 2 95 A 1.836 -18.781 -20.577 1.00 87.25 ? 95 SER L O 1 ATOM 2556 C CB . SER B 2 95 A 0.310 -17.650 -18.526 1.00 93.88 ? 95 SER L CB 1 ATOM 2557 O OG . SER B 2 95 A -0.206 -16.641 -17.676 1.00 99.13 ? 95 SER L OG 1 ATOM 2558 N N . ALA B 2 96 B 3.515 -19.243 -19.154 1.00 79.90 ? 95 ALA L N 1 ATOM 2559 C CA . ALA B 2 96 B 4.240 -20.066 -20.111 1.00 76.04 ? 95 ALA L CA 1 ATOM 2560 C C . ALA B 2 96 B 5.096 -21.135 -19.460 1.00 70.63 ? 95 ALA L C 1 ATOM 2561 O O . ALA B 2 96 B 5.530 -21.014 -18.312 1.00 69.33 ? 95 ALA L O 1 ATOM 2562 C CB . ALA B 2 96 B 5.104 -19.184 -20.995 1.00 78.04 ? 95 ALA L CB 1 ATOM 2563 N N . TRP B 2 97 ? 5.325 -22.188 -20.229 1.00 67.54 ? 96 TRP L N 1 ATOM 2564 C CA . TRP B 2 97 ? 6.264 -23.235 -19.845 1.00 63.46 ? 96 TRP L CA 1 ATOM 2565 C C . TRP B 2 97 ? 7.641 -22.907 -20.393 1.00 63.29 ? 96 TRP L C 1 ATOM 2566 O O . TRP B 2 97 ? 7.795 -22.481 -21.540 1.00 64.98 ? 96 TRP L O 1 ATOM 2567 C CB . TRP B 2 97 ? 5.797 -24.605 -20.332 1.00 61.00 ? 96 TRP L CB 1 ATOM 2568 C CG . TRP B 2 97 ? 4.547 -25.060 -19.651 1.00 61.77 ? 96 TRP L CG 1 ATOM 2569 C CD1 . TRP B 2 97 ? 4.456 -25.791 -18.502 1.00 61.75 ? 96 TRP L CD1 1 ATOM 2570 C CD2 . TRP B 2 97 ? 3.206 -24.798 -20.067 1.00 63.40 ? 96 TRP L CD2 1 ATOM 2571 N NE1 . TRP B 2 97 ? 3.138 -26.005 -18.182 1.00 62.69 ? 96 TRP L NE1 1 ATOM 2572 C CE2 . TRP B 2 97 ? 2.351 -25.407 -19.129 1.00 63.76 ? 96 TRP L CE2 1 ATOM 2573 C CE3 . TRP B 2 97 ? 2.645 -24.111 -21.144 1.00 68.73 ? 96 TRP L CE3 1 ATOM 2574 C CZ2 . TRP B 2 97 ? 0.968 -25.352 -19.238 1.00 68.16 ? 96 TRP L CZ2 1 ATOM 2575 C CZ3 . TRP B 2 97 ? 1.270 -24.054 -21.249 1.00 72.44 ? 96 TRP L CZ3 1 ATOM 2576 C CH2 . TRP B 2 97 ? 0.447 -24.672 -20.302 1.00 72.34 ? 96 TRP L CH2 1 ATOM 2577 N N . VAL B 2 98 ? 8.637 -23.104 -19.541 1.00 61.16 ? 97 VAL L N 1 ATOM 2578 C CA . VAL B 2 98 ? 10.001 -22.712 -19.846 1.00 61.42 ? 97 VAL L CA 1 ATOM 2579 C C . VAL B 2 98 ? 10.976 -23.848 -19.639 1.00 57.65 ? 97 VAL L C 1 ATOM 2580 O O . VAL B 2 98 ? 10.860 -24.627 -18.695 1.00 56.50 ? 97 VAL L O 1 ATOM 2581 C CB . VAL B 2 98 ? 10.436 -21.539 -18.954 1.00 64.37 ? 97 VAL L CB 1 ATOM 2582 C CG1 . VAL B 2 98 ? 11.629 -20.827 -19.571 1.00 68.80 ? 97 VAL L CG1 1 ATOM 2583 C CG2 . VAL B 2 98 ? 9.286 -20.572 -18.758 1.00 68.25 ? 97 VAL L CG2 1 ATOM 2584 N N . PHE B 2 99 ? 11.945 -23.922 -20.538 1.00 57.20 ? 98 PHE L N 1 ATOM 2585 C CA . PHE B 2 99 ? 13.010 -24.921 -20.461 1.00 54.08 ? 98 PHE L CA 1 ATOM 2586 C C . PHE B 2 99 ? 14.311 -24.294 -20.011 1.00 54.94 ? 98 PHE L C 1 ATOM 2587 O O . PHE B 2 99 ? 14.457 -23.074 -19.978 1.00 58.15 ? 98 PHE L O 1 ATOM 2588 C CB . PHE B 2 99 ? 13.211 -25.604 -21.812 1.00 53.04 ? 98 PHE L CB 1 ATOM 2589 C CG . PHE B 2 99 ? 12.075 -26.493 -22.204 1.00 51.94 ? 98 PHE L CG 1 ATOM 2590 C CD1 . PHE B 2 99 ? 11.185 -26.112 -23.189 1.00 55.46 ? 98 PHE L CD1 1 ATOM 2591 C CD2 . PHE B 2 99 ? 11.885 -27.706 -21.575 1.00 50.90 ? 98 PHE L CD2 1 ATOM 2592 C CE1 . PHE B 2 99 ? 10.134 -26.929 -23.545 1.00 53.20 ? 98 PHE L CE1 1 ATOM 2593 C CE2 . PHE B 2 99 ? 10.838 -28.526 -21.933 1.00 50.42 ? 98 PHE L CE2 1 ATOM 2594 C CZ . PHE B 2 99 ? 9.962 -28.135 -22.919 1.00 49.63 ? 98 PHE L CZ 1 ATOM 2595 N N . GLY B 2 100 ? 15.246 -25.162 -19.659 1.00 52.42 ? 99 GLY L N 1 ATOM 2596 C CA . GLY B 2 100 ? 16.593 -24.754 -19.280 1.00 53.65 ? 99 GLY L CA 1 ATOM 2597 C C . GLY B 2 100 ? 17.473 -24.645 -20.505 1.00 55.54 ? 99 GLY L C 1 ATOM 2598 O O . GLY B 2 100 ? 17.096 -25.077 -21.597 1.00 55.93 ? 99 GLY L O 1 ATOM 2599 N N . SER B 2 101 ? 18.656 -24.071 -20.315 1.00 57.33 ? 100 SER L N 1 ATOM 2600 C CA . SER B 2 101 ? 19.603 -23.871 -21.417 1.00 59.63 ? 100 SER L CA 1 ATOM 2601 C C . SER B 2 101 ? 20.118 -25.210 -21.917 1.00 57.58 ? 100 SER L C 1 ATOM 2602 O O . SER B 2 101 ? 20.494 -25.361 -23.076 1.00 59.86 ? 100 SER L O 1 ATOM 2603 C CB . SER B 2 101 ? 20.783 -22.991 -20.992 1.00 63.31 ? 100 SER L CB 1 ATOM 2604 O OG . SER B 2 101 ? 21.710 -23.716 -20.200 1.00 64.43 ? 100 SER L OG 1 ATOM 2605 N N . GLY B 2 102 ? 20.126 -26.181 -21.019 1.00 54.79 ? 101 GLY L N 1 ATOM 2606 C CA . GLY B 2 102 ? 20.564 -27.539 -21.342 1.00 53.40 ? 101 GLY L CA 1 ATOM 2607 C C . GLY B 2 102 ? 21.991 -27.868 -20.952 1.00 54.11 ? 101 GLY L C 1 ATOM 2608 O O . GLY B 2 102 ? 22.886 -27.029 -21.010 1.00 57.94 ? 101 GLY L O 1 ATOM 2609 N N . THR B 2 103 ? 22.181 -29.116 -20.551 1.00 51.73 ? 102 THR L N 1 ATOM 2610 C CA . THR B 2 103 ? 23.484 -29.612 -20.124 1.00 53.05 ? 102 THR L CA 1 ATOM 2611 C C . THR B 2 103 ? 23.848 -30.891 -20.849 1.00 53.15 ? 102 THR L C 1 ATOM 2612 O O . THR B 2 103 ? 23.051 -31.822 -20.937 1.00 52.01 ? 102 THR L O 1 ATOM 2613 C CB . THR B 2 103 ? 23.511 -29.905 -18.610 1.00 52.12 ? 102 THR L CB 1 ATOM 2614 O OG1 . THR B 2 103 ? 23.226 -28.710 -17.878 1.00 52.75 ? 102 THR L OG1 1 ATOM 2615 C CG2 . THR B 2 103 ? 24.873 -30.435 -18.193 1.00 53.21 ? 102 THR L CG2 1 ATOM 2616 N N . LYS B 2 104 ? 25.068 -30.923 -21.363 1.00 55.68 ? 103 LYS L N 1 ATOM 2617 C CA . LYS B 2 104 ? 25.593 -32.113 -22.014 1.00 56.32 ? 103 LYS L CA 1 ATOM 2618 C C . LYS B 2 104 ? 26.350 -32.942 -21.001 1.00 56.61 ? 103 LYS L C 1 ATOM 2619 O O . LYS B 2 104 ? 27.384 -32.530 -20.486 1.00 58.04 ? 103 LYS L O 1 ATOM 2620 C CB . LYS B 2 104 ? 26.507 -31.746 -23.184 1.00 59.67 ? 103 LYS L CB 1 ATOM 2621 C CG . LYS B 2 104 ? 26.803 -32.906 -24.113 1.00 63.56 ? 103 LYS L CG 1 ATOM 2622 C CD . LYS B 2 104 ? 27.803 -32.520 -25.199 1.00 71.74 ? 103 LYS L CD 1 ATOM 2623 C CE . LYS B 2 104 ? 27.995 -33.655 -26.205 1.00 75.35 ? 103 LYS L CE 1 ATOM 2624 N NZ . LYS B 2 104 ? 28.908 -33.286 -27.324 1.00 79.44 ? 103 LYS L NZ 1 ATOM 2625 N N . VAL B 2 105 ? 25.812 -34.118 -20.716 1.00 55.87 ? 104 VAL L N 1 ATOM 2626 C CA . VAL B 2 105 ? 26.453 -35.053 -19.791 1.00 57.36 ? 104 VAL L CA 1 ATOM 2627 C C . VAL B 2 105 ? 27.318 -36.047 -20.535 1.00 59.34 ? 104 VAL L C 1 ATOM 2628 O O . VAL B 2 105 ? 26.823 -36.910 -21.258 1.00 59.07 ? 104 VAL L O 1 ATOM 2629 C CB . VAL B 2 105 ? 25.431 -35.834 -18.950 1.00 55.46 ? 104 VAL L CB 1 ATOM 2630 C CG1 . VAL B 2 105 ? 26.129 -36.902 -18.140 1.00 56.28 ? 104 VAL L CG1 1 ATOM 2631 C CG2 . VAL B 2 105 ? 24.661 -34.888 -18.040 1.00 56.22 ? 104 VAL L CG2 1 ATOM 2632 N N . THR B 2 106 ? 28.619 -35.912 -20.337 1.00 62.06 ? 105 THR L N 1 ATOM 2633 C CA . THR B 2 106 ? 29.590 -36.811 -20.935 1.00 65.14 ? 105 THR L CA 1 ATOM 2634 C C . THR B 2 106 ? 29.999 -37.854 -19.903 1.00 66.15 ? 105 THR L C 1 ATOM 2635 O O . THR B 2 106 ? 30.164 -37.554 -18.720 1.00 66.20 ? 105 THR L O 1 ATOM 2636 C CB . THR B 2 106 ? 30.831 -36.038 -21.442 1.00 68.79 ? 105 THR L CB 1 ATOM 2637 O OG1 . THR B 2 106 ? 31.261 -36.588 -22.692 1.00 71.35 ? 105 THR L OG1 1 ATOM 2638 C CG2 . THR B 2 106 ? 31.970 -36.100 -20.422 1.00 71.43 ? 105 THR L CG2 1 ATOM 2639 N N . VAL B 2 107 ? 30.137 -39.089 -20.364 1.00 67.09 ? 106 VAL L N 1 ATOM 2640 C CA . VAL B 2 107 ? 30.503 -40.195 -19.485 1.00 69.05 ? 106 VAL L CA 1 ATOM 2641 C C . VAL B 2 107 ? 31.883 -40.746 -19.799 1.00 73.31 ? 106 VAL L C 1 ATOM 2642 O O . VAL B 2 107 ? 32.087 -41.438 -20.798 1.00 74.74 ? 106 VAL L O 1 ATOM 2643 C CB . VAL B 2 107 ? 29.483 -41.332 -19.564 1.00 67.95 ? 106 VAL L CB 1 ATOM 2644 C CG1 . VAL B 2 107 ? 29.963 -42.537 -18.762 1.00 71.34 ? 106 VAL L CG1 1 ATOM 2645 C CG2 . VAL B 2 107 ? 28.134 -40.851 -19.067 1.00 63.91 ? 106 VAL L CG2 1 ATOM 2646 N N . LEU B 2 108 A 32.812 -40.446 -18.902 1.00 75.93 ? 106 LEU L N 1 ATOM 2647 C CA . LEU B 2 108 A 34.207 -40.858 -19.041 1.00 80.84 ? 106 LEU L CA 1 ATOM 2648 C C . LEU B 2 108 A 34.456 -42.201 -18.381 1.00 84.35 ? 106 LEU L C 1 ATOM 2649 O O . LEU B 2 108 A 33.567 -42.796 -17.772 1.00 82.72 ? 106 LEU L O 1 ATOM 2650 C CB . LEU B 2 108 A 35.140 -39.820 -18.420 1.00 82.78 ? 106 LEU L CB 1 ATOM 2651 C CG . LEU B 2 108 A 35.007 -38.404 -18.979 1.00 81.17 ? 106 LEU L CG 1 ATOM 2652 C CD1 . LEU B 2 108 A 35.712 -37.401 -18.078 1.00 84.00 ? 106 LEU L CD1 1 ATOM 2653 C CD2 . LEU B 2 108 A 35.556 -38.340 -20.395 1.00 81.64 ? 106 LEU L CD2 1 ATOM 2654 N N . GLY B 2 109 ? 35.693 -42.657 -18.509 1.00 90.00 ? 107 GLY L N 1 ATOM 2655 C CA . GLY B 2 109 ? 36.120 -43.934 -17.951 1.00 94.93 ? 107 GLY L CA 1 ATOM 2656 C C . GLY B 2 109 ? 35.831 -45.089 -18.881 1.00 96.57 ? 107 GLY L C 1 ATOM 2657 O O . GLY B 2 109 ? 35.996 -46.255 -18.517 1.00 100.60 ? 107 GLY L O 1 ATOM 2658 N N . GLN B 2 110 ? 35.409 -44.752 -20.092 1.00 94.53 ? 108 GLN L N 1 ATOM 2659 C CA . GLN B 2 110 ? 35.070 -45.763 -21.101 1.00 95.66 ? 108 GLN L CA 1 ATOM 2660 C C . GLN B 2 110 ? 36.341 -46.246 -21.812 1.00 100.79 ? 108 GLN L C 1 ATOM 2661 O O . GLN B 2 110 ? 37.292 -45.484 -21.974 1.00 102.04 ? 108 GLN L O 1 ATOM 2662 C CB . GLN B 2 110 ? 34.041 -45.224 -22.105 1.00 91.74 ? 108 GLN L CB 1 ATOM 2663 C CG . GLN B 2 110 ? 32.786 -44.652 -21.436 1.00 88.41 ? 108 GLN L CG 1 ATOM 2664 C CD . GLN B 2 110 ? 31.665 -44.352 -22.416 1.00 87.19 ? 108 GLN L CD 1 ATOM 2665 O OE1 . GLN B 2 110 ? 31.459 -45.084 -23.385 1.00 90.15 ? 108 GLN L OE1 1 ATOM 2666 N NE2 . GLN B 2 110 ? 30.923 -43.279 -22.158 1.00 82.44 ? 108 GLN L NE2 1 ATOM 2667 N N . PRO B 2 111 ? 36.364 -47.521 -22.233 1.00 108.41 ? 109 PRO L N 1 ATOM 2668 C CA . PRO B 2 111 ? 37.597 -48.110 -22.747 1.00 108.25 ? 109 PRO L CA 1 ATOM 2669 C C . PRO B 2 111 ? 37.903 -47.788 -24.199 1.00 104.54 ? 109 PRO L C 1 ATOM 2670 O O . PRO B 2 111 ? 37.035 -47.342 -24.955 1.00 101.74 ? 109 PRO L O 1 ATOM 2671 C CB . PRO B 2 111 ? 37.348 -49.609 -22.593 1.00 110.20 ? 109 PRO L CB 1 ATOM 2672 C CG . PRO B 2 111 ? 35.878 -49.754 -22.765 1.00 109.39 ? 109 PRO L CG 1 ATOM 2673 C CD . PRO B 2 111 ? 35.255 -48.492 -22.219 1.00 109.13 ? 109 PRO L CD 1 ATOM 2674 N N . ASN B 2 112 ? 39.156 -48.043 -24.557 1.00 104.86 ? 110 ASN L N 1 ATOM 2675 C CA . ASN B 2 112 ? 39.663 -47.811 -25.919 1.00 101.83 ? 110 ASN L CA 1 ATOM 2676 C C . ASN B 2 112 ? 39.407 -48.979 -26.848 1.00 100.70 ? 110 ASN L C 1 ATOM 2677 O O . ASN B 2 112 ? 40.173 -49.943 -26.883 1.00 102.70 ? 110 ASN L O 1 ATOM 2678 C CB . ASN B 2 112 ? 41.166 -47.513 -25.926 1.00 103.63 ? 110 ASN L CB 1 ATOM 2679 C CG . ASN B 2 112 ? 41.474 -46.082 -25.570 1.00 103.45 ? 110 ASN L CG 1 ATOM 2680 O OD1 . ASN B 2 112 ? 40.681 -45.410 -24.910 1.00 102.96 ? 110 ASN L OD1 1 ATOM 2681 N ND2 . ASN B 2 112 ? 42.630 -45.601 -26.012 1.00 103.21 ? 110 ASN L ND2 1 ATOM 2682 N N . ALA B 2 113 ? 38.333 -48.862 -27.615 1.00 97.85 ? 111 ALA L N 1 ATOM 2683 C CA . ALA B 2 113 ? 37.996 -49.846 -28.636 1.00 96.42 ? 111 ALA L CA 1 ATOM 2684 C C . ALA B 2 113 ? 38.584 -49.411 -29.965 1.00 93.57 ? 111 ALA L C 1 ATOM 2685 O O . ALA B 2 113 ? 38.586 -48.228 -30.308 1.00 91.34 ? 111 ALA L O 1 ATOM 2686 C CB . ALA B 2 113 ? 36.488 -50.008 -28.744 1.00 95.69 ? 111 ALA L CB 1 ATOM 2687 N N . ALA B 2 114 ? 39.093 -50.390 -30.701 1.00 94.17 ? 112 ALA L N 1 ATOM 2688 C CA . ALA B 2 114 ? 39.693 -50.145 -32.013 1.00 92.52 ? 112 ALA L CA 1 ATOM 2689 C C . ALA B 2 114 ? 38.620 -50.173 -33.105 1.00 90.08 ? 112 ALA L C 1 ATOM 2690 O O . ALA B 2 114 ? 37.624 -50.889 -32.987 1.00 90.49 ? 112 ALA L O 1 ATOM 2691 C CB . ALA B 2 114 ? 40.783 -51.171 -32.306 1.00 95.04 ? 112 ALA L CB 1 ATOM 2692 N N . PRO B 2 115 ? 38.823 -49.393 -34.177 1.00 87.88 ? 113 PRO L N 1 ATOM 2693 C CA . PRO B 2 115 ? 37.821 -49.298 -35.227 1.00 85.22 ? 113 PRO L CA 1 ATOM 2694 C C . PRO B 2 115 ? 37.879 -50.431 -36.226 1.00 85.47 ? 113 PRO L C 1 ATOM 2695 O O . PRO B 2 115 ? 38.955 -50.905 -36.593 1.00 86.99 ? 113 PRO L O 1 ATOM 2696 C CB . PRO B 2 115 ? 38.159 -47.971 -35.929 1.00 83.49 ? 113 PRO L CB 1 ATOM 2697 C CG . PRO B 2 115 ? 39.466 -47.487 -35.333 1.00 85.42 ? 113 PRO L CG 1 ATOM 2698 C CD . PRO B 2 115 ? 40.015 -48.589 -34.487 1.00 88.49 ? 113 PRO L CD 1 ATOM 2699 N N . SER B 2 116 ? 36.697 -50.846 -36.653 1.00 84.32 ? 114 SER L N 1 ATOM 2700 C CA . SER B 2 116 ? 36.554 -51.813 -37.735 1.00 84.40 ? 114 SER L CA 1 ATOM 2701 C C . SER B 2 116 ? 36.304 -51.053 -39.021 1.00 81.26 ? 114 SER L C 1 ATOM 2702 O O . SER B 2 116 ? 35.286 -50.380 -39.174 1.00 80.22 ? 114 SER L O 1 ATOM 2703 C CB . SER B 2 116 ? 35.400 -52.779 -37.459 1.00 86.01 ? 114 SER L CB 1 ATOM 2704 O OG . SER B 2 116 ? 35.525 -53.358 -36.173 1.00 89.46 ? 114 SER L OG 1 ATOM 2705 N N . VAL B 2 117 ? 37.251 -51.161 -39.941 1.00 80.37 ? 115 VAL L N 1 ATOM 2706 C CA . VAL B 2 117 ? 37.169 -50.444 -41.208 1.00 77.78 ? 115 VAL L CA 1 ATOM 2707 C C . VAL B 2 117 ? 36.569 -51.314 -42.298 1.00 77.90 ? 115 VAL L C 1 ATOM 2708 O O . VAL B 2 117 ? 36.709 -52.539 -42.305 1.00 80.03 ? 115 VAL L O 1 ATOM 2709 C CB . VAL B 2 117 ? 38.550 -49.926 -41.664 1.00 78.17 ? 115 VAL L CB 1 ATOM 2710 C CG1 . VAL B 2 117 ? 38.430 -49.190 -42.996 1.00 76.64 ? 115 VAL L CG1 1 ATOM 2711 C CG2 . VAL B 2 117 ? 39.156 -49.023 -40.600 1.00 77.99 ? 115 VAL L CG2 1 ATOM 2712 N N . THR B 2 118 ? 35.880 -50.644 -43.208 1.00 75.74 ? 116 THR L N 1 ATOM 2713 C CA . THR B 2 118 ? 35.269 -51.292 -44.365 1.00 75.95 ? 116 THR L CA 1 ATOM 2714 C C . THR B 2 118 ? 35.294 -50.383 -45.579 1.00 74.25 ? 116 THR L C 1 ATOM 2715 O O . THR B 2 118 ? 34.618 -49.354 -45.622 1.00 72.57 ? 116 THR L O 1 ATOM 2716 C CB . THR B 2 118 ? 33.813 -51.698 -44.076 1.00 76.56 ? 116 THR L CB 1 ATOM 2717 O OG1 . THR B 2 118 ? 33.794 -52.793 -43.152 1.00 79.23 ? 116 THR L OG1 1 ATOM 2718 C CG2 . THR B 2 118 ? 33.108 -52.111 -45.356 1.00 76.52 ? 116 THR L CG2 1 ATOM 2719 N N . LEU B 2 119 ? 36.090 -50.786 -46.557 1.00 74.91 ? 117 LEU L N 1 ATOM 2720 C CA . LEU B 2 119 ? 36.284 -50.009 -47.777 1.00 74.08 ? 117 LEU L CA 1 ATOM 2721 C C . LEU B 2 119 ? 35.466 -50.632 -48.893 1.00 74.66 ? 117 LEU L C 1 ATOM 2722 O O . LEU B 2 119 ? 35.519 -51.837 -49.132 1.00 76.94 ? 117 LEU L O 1 ATOM 2723 C CB . LEU B 2 119 ? 37.769 -49.974 -48.161 1.00 75.24 ? 117 LEU L CB 1 ATOM 2724 C CG . LEU B 2 119 ? 38.228 -48.902 -49.155 1.00 74.82 ? 117 LEU L CG 1 ATOM 2725 C CD1 . LEU B 2 119 ? 39.737 -48.963 -49.330 1.00 77.33 ? 117 LEU L CD1 1 ATOM 2726 C CD2 . LEU B 2 119 ? 37.542 -49.045 -50.501 1.00 74.31 ? 117 LEU L CD2 1 ATOM 2727 N N . PHE B 2 120 ? 34.707 -49.784 -49.568 1.00 73.12 ? 118 PHE L N 1 ATOM 2728 C CA . PHE B 2 120 ? 33.843 -50.211 -50.656 1.00 74.10 ? 118 PHE L CA 1 ATOM 2729 C C . PHE B 2 120 ? 34.252 -49.568 -51.976 1.00 74.27 ? 118 PHE L C 1 ATOM 2730 O O . PHE B 2 120 ? 34.783 -48.457 -51.992 1.00 73.34 ? 118 PHE L O 1 ATOM 2731 C CB . PHE B 2 120 ? 32.391 -49.861 -50.336 1.00 73.54 ? 118 PHE L CB 1 ATOM 2732 C CG . PHE B 2 120 ? 31.780 -50.734 -49.277 1.00 75.31 ? 118 PHE L CG 1 ATOM 2733 C CD1 . PHE B 2 120 ? 31.498 -52.065 -49.541 1.00 77.11 ? 118 PHE L CD1 1 ATOM 2734 C CD2 . PHE B 2 120 ? 31.491 -50.228 -48.017 1.00 74.22 ? 118 PHE L CD2 1 ATOM 2735 C CE1 . PHE B 2 120 ? 30.939 -52.874 -48.570 1.00 79.99 ? 118 PHE L CE1 1 ATOM 2736 C CE2 . PHE B 2 120 ? 30.931 -51.033 -47.043 1.00 75.44 ? 118 PHE L CE2 1 ATOM 2737 C CZ . PHE B 2 120 ? 30.652 -52.357 -47.320 1.00 78.65 ? 118 PHE L CZ 1 ATOM 2738 N N . PRO B 2 121 ? 34.011 -50.272 -53.094 1.00 75.90 ? 119 PRO L N 1 ATOM 2739 C CA . PRO B 2 121 ? 34.286 -49.702 -54.403 1.00 75.96 ? 119 PRO L CA 1 ATOM 2740 C C . PRO B 2 121 ? 33.058 -48.997 -54.964 1.00 74.52 ? 119 PRO L C 1 ATOM 2741 O O . PRO B 2 121 ? 31.968 -49.148 -54.420 1.00 74.26 ? 119 PRO L O 1 ATOM 2742 C CB . PRO B 2 121 ? 34.642 -50.929 -55.248 1.00 78.72 ? 119 PRO L CB 1 ATOM 2743 C CG . PRO B 2 121 ? 34.026 -52.115 -54.530 1.00 80.05 ? 119 PRO L CG 1 ATOM 2744 C CD . PRO B 2 121 ? 33.506 -51.652 -53.197 1.00 77.74 ? 119 PRO L CD 1 ATOM 2745 N N . PRO B 2 122 ? 33.229 -48.222 -56.041 1.00 74.33 ? 120 PRO L N 1 ATOM 2746 C CA . PRO B 2 122 ? 32.081 -47.557 -56.643 1.00 74.47 ? 120 PRO L CA 1 ATOM 2747 C C . PRO B 2 122 ? 31.215 -48.511 -57.437 1.00 76.62 ? 120 PRO L C 1 ATOM 2748 O O . PRO B 2 122 ? 31.707 -49.308 -58.233 1.00 78.92 ? 120 PRO L O 1 ATOM 2749 C CB . PRO B 2 122 ? 32.719 -46.521 -57.568 1.00 75.06 ? 120 PRO L CB 1 ATOM 2750 C CG . PRO B 2 122 ? 34.040 -47.094 -57.921 1.00 76.49 ? 120 PRO L CG 1 ATOM 2751 C CD . PRO B 2 122 ? 34.487 -47.903 -56.737 1.00 75.30 ? 120 PRO L CD 1 ATOM 2752 N N . SER B 2 123 ? 29.919 -48.415 -57.196 1.00 76.96 ? 121 SER L N 1 ATOM 2753 C CA . SER B 2 123 ? 28.944 -49.232 -57.912 1.00 79.77 ? 121 SER L CA 1 ATOM 2754 C C . SER B 2 123 ? 29.013 -48.942 -59.397 1.00 82.33 ? 121 SER L C 1 ATOM 2755 O O . SER B 2 123 ? 29.295 -47.819 -59.821 1.00 81.83 ? 121 SER L O 1 ATOM 2756 C CB . SER B 2 123 ? 27.523 -48.973 -57.405 1.00 79.73 ? 121 SER L CB 1 ATOM 2757 O OG . SER B 2 123 ? 27.112 -47.655 -57.710 1.00 77.49 ? 121 SER L OG 1 ATOM 2758 N N . SER B 2 124 ? 28.747 -49.975 -60.183 1.00 85.56 ? 122 SER L N 1 ATOM 2759 C CA . SER B 2 124 ? 28.678 -49.834 -61.637 1.00 88.49 ? 122 SER L CA 1 ATOM 2760 C C . SER B 2 124 ? 27.620 -48.795 -61.956 1.00 88.95 ? 122 SER L C 1 ATOM 2761 O O . SER B 2 124 ? 27.768 -47.969 -62.853 1.00 89.77 ? 122 SER L O 1 ATOM 2762 C CB . SER B 2 124 ? 28.315 -51.166 -62.314 1.00 92.36 ? 122 SER L CB 1 ATOM 2763 O OG . SER B 2 124 ? 29.185 -52.214 -61.915 1.00 93.35 ? 122 SER L OG 1 ATOM 2764 N N . GLU B 2 125 ? 26.553 -48.848 -61.177 1.00 89.21 ? 123 GLU L N 1 ATOM 2765 C CA . GLU B 2 125 ? 25.397 -47.974 -61.376 1.00 90.60 ? 123 GLU L CA 1 ATOM 2766 C C . GLU B 2 125 ? 25.808 -46.510 -61.302 1.00 88.69 ? 123 GLU L C 1 ATOM 2767 O O . GLU B 2 125 ? 25.166 -45.642 -61.890 1.00 89.79 ? 123 GLU L O 1 ATOM 2768 C CB . GLU B 2 125 ? 24.304 -48.272 -60.340 1.00 90.96 ? 123 GLU L CB 1 ATOM 2769 C CG . GLU B 2 125 ? 22.958 -47.656 -60.658 1.00 94.81 ? 123 GLU L CG 1 ATOM 2770 C CD . GLU B 2 125 ? 21.829 -48.251 -59.825 1.00 98.94 ? 123 GLU L CD 1 ATOM 2771 O OE1 . GLU B 2 125 ? 21.999 -48.404 -58.596 1.00 98.71 ? 123 GLU L OE1 1 ATOM 2772 O OE2 . GLU B 2 125 ? 20.768 -48.567 -60.404 1.00 102.89 ? 123 GLU L OE2 1 ATOM 2773 N N . GLU B 2 126 ? 26.892 -46.253 -60.579 1.00 86.63 ? 124 GLU L N 1 ATOM 2774 C CA . GLU B 2 126 ? 27.378 -44.888 -60.341 1.00 86.04 ? 124 GLU L CA 1 ATOM 2775 C C . GLU B 2 126 ? 28.366 -44.447 -61.410 1.00 87.30 ? 124 GLU L C 1 ATOM 2776 O O . GLU B 2 126 ? 28.448 -43.266 -61.754 1.00 87.83 ? 124 GLU L O 1 ATOM 2777 C CB . GLU B 2 126 ? 28.041 -44.778 -58.963 1.00 83.52 ? 124 GLU L CB 1 ATOM 2778 C CG . GLU B 2 126 ? 28.213 -43.347 -58.483 1.00 83.53 ? 124 GLU L CG 1 ATOM 2779 C CD . GLU B 2 126 ? 29.358 -43.184 -57.503 1.00 82.51 ? 124 GLU L CD 1 ATOM 2780 O OE1 . GLU B 2 126 ? 29.813 -44.200 -56.928 1.00 83.24 ? 124 GLU L OE1 1 ATOM 2781 O OE2 . GLU B 2 126 ? 29.797 -42.031 -57.309 1.00 81.01 ? 124 GLU L OE2 1 ATOM 2782 N N . LEU B 2 127 ? 29.104 -45.414 -61.938 1.00 88.23 ? 125 LEU L N 1 ATOM 2783 C CA . LEU B 2 127 ? 30.159 -45.139 -62.926 1.00 89.92 ? 125 LEU L CA 1 ATOM 2784 C C . LEU B 2 127 ? 29.591 -44.647 -64.253 1.00 93.33 ? 125 LEU L C 1 ATOM 2785 O O . LEU B 2 127 ? 30.260 -43.934 -65.002 1.00 95.00 ? 125 LEU L O 1 ATOM 2786 C CB . LEU B 2 127 ? 31.050 -46.365 -63.155 1.00 90.56 ? 125 LEU L CB 1 ATOM 2787 C CG . LEU B 2 127 ? 32.019 -46.658 -62.009 1.00 88.12 ? 125 LEU L CG 1 ATOM 2788 C CD1 . LEU B 2 127 ? 32.791 -47.946 -62.258 1.00 88.96 ? 125 LEU L CD1 1 ATOM 2789 C CD2 . LEU B 2 127 ? 32.970 -45.486 -61.811 1.00 87.04 ? 125 LEU L CD2 1 ATOM 2790 N N . LYS B 2 128 ? 28.352 -45.028 -64.532 1.00 94.89 ? 126 LYS L N 1 ATOM 2791 C CA . LYS B 2 128 ? 27.664 -44.544 -65.728 1.00 98.26 ? 126 LYS L CA 1 ATOM 2792 C C . LYS B 2 128 ? 27.729 -43.026 -65.741 1.00 99.26 ? 126 LYS L C 1 ATOM 2793 O O . LYS B 2 128 ? 27.848 -42.398 -66.791 1.00 102.11 ? 126 LYS L O 1 ATOM 2794 C CB . LYS B 2 128 ? 26.196 -44.972 -65.746 1.00 99.56 ? 126 LYS L CB 1 ATOM 2795 C CG . LYS B 2 128 ? 25.944 -46.455 -65.938 1.00 100.30 ? 126 LYS L CG 1 ATOM 2796 C CD . LYS B 2 128 ? 24.456 -46.751 -65.810 1.00 101.79 ? 126 LYS L CD 1 ATOM 2797 C CE . LYS B 2 128 ? 24.191 -48.234 -65.670 1.00 103.96 ? 126 LYS L CE 1 ATOM 2798 N NZ . LYS B 2 128 ? 22.842 -48.488 -65.097 1.00 105.94 ? 126 LYS L NZ 1 ATOM 2799 N N . THR B 2 129 ? 27.639 -42.455 -64.547 1.00 97.71 ? 127 THR L N 1 ATOM 2800 C CA . THR B 2 129 ? 27.588 -41.001 -64.361 1.00 99.03 ? 127 THR L CA 1 ATOM 2801 C C . THR B 2 129 ? 28.939 -40.371 -64.641 1.00 99.96 ? 127 THR L C 1 ATOM 2802 O O . THR B 2 129 ? 29.090 -39.149 -64.612 1.00 101.32 ? 127 THR L O 1 ATOM 2803 C CB . THR B 2 129 ? 27.196 -40.626 -62.912 1.00 96.72 ? 127 THR L CB 1 ATOM 2804 O OG1 . THR B 2 129 ? 26.233 -41.561 -62.416 1.00 95.78 ? 127 THR L OG1 1 ATOM 2805 C CG2 . THR B 2 129 ? 26.634 -39.209 -62.852 1.00 98.56 ? 127 THR L CG2 1 ATOM 2806 N N . ASN B 2 130 ? 29.910 -41.236 -64.912 1.00 100.21 ? 128 ASN L N 1 ATOM 2807 C CA . ASN B 2 130 ? 31.327 -40.858 -65.038 1.00 101.41 ? 128 ASN L CA 1 ATOM 2808 C C . ASN B 2 130 ? 31.892 -40.374 -63.713 1.00 98.68 ? 128 ASN L C 1 ATOM 2809 O O . ASN B 2 130 ? 32.919 -39.699 -63.656 1.00 99.82 ? 128 ASN L O 1 ATOM 2810 C CB . ASN B 2 130 ? 31.547 -39.808 -66.132 1.00 105.43 ? 128 ASN L CB 1 ATOM 2811 C CG . ASN B 2 130 ? 31.553 -40.411 -67.525 1.00 109.58 ? 128 ASN L CG 1 ATOM 2812 O OD1 . ASN B 2 130 ? 30.824 -41.365 -67.811 1.00 109.04 ? 128 ASN L OD1 1 ATOM 2813 N ND2 . ASN B 2 130 ? 32.378 -39.852 -68.403 1.00 114.65 ? 128 ASN L ND2 1 ATOM 2814 N N . GLN B 2 131 ? 31.183 -40.730 -62.652 1.00 95.82 ? 129 GLN L N 1 ATOM 2815 C CA . GLN B 2 131 ? 31.597 -40.426 -61.288 1.00 93.40 ? 129 GLN L CA 1 ATOM 2816 C C . GLN B 2 131 ? 31.850 -41.713 -60.526 1.00 90.03 ? 129 GLN L C 1 ATOM 2817 O O . GLN B 2 131 ? 31.114 -42.687 -60.660 1.00 90.05 ? 129 GLN L O 1 ATOM 2818 C CB . GLN B 2 131 ? 30.521 -39.604 -60.570 1.00 93.26 ? 129 GLN L CB 1 ATOM 2819 C CG . GLN B 2 131 ? 30.201 -38.265 -61.225 1.00 98.22 ? 129 GLN L CG 1 ATOM 2820 C CD . GLN B 2 131 ? 29.065 -37.529 -60.530 1.00 101.51 ? 129 GLN L CD 1 ATOM 2821 O OE1 . GLN B 2 131 ? 29.049 -37.394 -59.304 1.00 99.73 ? 129 GLN L OE1 1 ATOM 2822 N NE2 . GLN B 2 131 ? 28.106 -37.048 -61.317 1.00 106.16 ? 129 GLN L NE2 1 ATOM 2823 N N . ALA B 2 132 ? 32.907 -41.705 -59.729 1.00 88.02 ? 130 ALA L N 1 ATOM 2824 C CA . ALA B 2 132 ? 33.239 -42.850 -58.882 1.00 85.65 ? 130 ALA L CA 1 ATOM 2825 C C . ALA B 2 132 ? 33.497 -42.429 -57.439 1.00 83.37 ? 130 ALA L C 1 ATOM 2826 O O . ALA B 2 132 ? 34.413 -41.658 -57.142 1.00 83.51 ? 130 ALA L O 1 ATOM 2827 C CB . ALA B 2 132 ? 34.437 -43.603 -59.446 1.00 86.74 ? 130 ALA L CB 1 ATOM 2828 N N . THR B 2 133 ? 32.655 -42.949 -56.555 1.00 80.87 ? 131 THR L N 1 ATOM 2829 C CA . THR B 2 133 ? 32.761 -42.694 -55.128 1.00 78.58 ? 131 THR L CA 1 ATOM 2830 C C . THR B 2 133 ? 33.243 -43.927 -54.402 1.00 77.42 ? 131 THR L C 1 ATOM 2831 O O . THR B 2 133 ? 32.647 -44.996 -54.497 1.00 77.76 ? 131 THR L O 1 ATOM 2832 C CB . THR B 2 133 ? 31.408 -42.295 -54.527 1.00 77.81 ? 131 THR L CB 1 ATOM 2833 O OG1 . THR B 2 133 ? 30.820 -41.250 -55.308 1.00 79.11 ? 131 THR L OG1 1 ATOM 2834 C CG2 . THR B 2 133 ? 31.581 -41.820 -53.090 1.00 77.54 ? 131 THR L CG2 1 ATOM 2835 N N . LEU B 2 134 ? 34.333 -43.749 -53.670 1.00 77.21 ? 132 LEU L N 1 ATOM 2836 C CA . LEU B 2 134 ? 34.869 -44.784 -52.790 1.00 76.56 ? 132 LEU L CA 1 ATOM 2837 C C . LEU B 2 134 ? 34.426 -44.494 -51.368 1.00 75.35 ? 132 LEU L C 1 ATOM 2838 O O . LEU B 2 134 ? 34.623 -43.393 -50.856 1.00 76.27 ? 132 LEU L O 1 ATOM 2839 C CB . LEU B 2 134 ? 36.402 -44.837 -52.872 1.00 77.99 ? 132 LEU L CB 1 ATOM 2840 C CG . LEU B 2 134 ? 37.005 -45.437 -54.148 1.00 79.02 ? 132 LEU L CG 1 ATOM 2841 C CD1 . LEU B 2 134 ? 38.428 -44.946 -54.376 1.00 80.48 ? 132 LEU L CD1 1 ATOM 2842 C CD2 . LEU B 2 134 ? 36.972 -46.952 -54.088 1.00 78.50 ? 132 LEU L CD2 1 ATOM 2843 N N . VAL B 2 135 ? 33.817 -45.495 -50.745 1.00 74.98 ? 133 VAL L N 1 ATOM 2844 C CA . VAL B 2 135 ? 33.259 -45.358 -49.395 1.00 74.18 ? 133 VAL L CA 1 ATOM 2845 C C . VAL B 2 135 ? 33.992 -46.211 -48.376 1.00 75.02 ? 133 VAL L C 1 ATOM 2846 O O . VAL B 2 135 ? 33.901 -47.436 -48.371 1.00 75.78 ? 133 VAL L O 1 ATOM 2847 C CB . VAL B 2 135 ? 31.763 -45.714 -49.356 1.00 74.01 ? 133 VAL L CB 1 ATOM 2848 C CG1 . VAL B 2 135 ? 31.257 -45.748 -47.922 1.00 72.42 ? 133 VAL L CG1 1 ATOM 2849 C CG2 . VAL B 2 135 ? 30.962 -44.716 -50.181 1.00 74.72 ? 133 VAL L CG2 1 ATOM 2850 N N . CYS B 2 136 ? 34.701 -45.518 -47.500 1.00 75.76 ? 134 CYS L N 1 ATOM 2851 C CA . CYS B 2 136 ? 35.488 -46.133 -46.440 1.00 76.96 ? 134 CYS L CA 1 ATOM 2852 C C . CYS B 2 136 ? 34.825 -45.768 -45.121 1.00 76.28 ? 134 CYS L C 1 ATOM 2853 O O . CYS B 2 136 ? 34.839 -44.617 -44.703 1.00 76.48 ? 134 CYS L O 1 ATOM 2854 C CB . CYS B 2 136 ? 36.949 -45.639 -46.522 1.00 78.36 ? 134 CYS L CB 1 ATOM 2855 S SG . CYS B 2 136 ? 37.923 -45.695 -45.006 1.00 81.59 ? 134 CYS L SG 1 ATOM 2856 N N . MET B 2 137 ? 34.206 -46.769 -44.507 1.00 76.76 ? 135 MET L N 1 ATOM 2857 C CA . MET B 2 137 ? 33.405 -46.598 -43.288 1.00 76.77 ? 135 MET L CA 1 ATOM 2858 C C . MET B 2 137 ? 34.112 -47.147 -42.062 1.00 77.25 ? 135 MET L C 1 ATOM 2859 O O . MET B 2 137 ? 34.570 -48.289 -42.034 1.00 78.11 ? 135 MET L O 1 ATOM 2860 C CB . MET B 2 137 ? 32.056 -47.310 -43.431 1.00 77.68 ? 135 MET L CB 1 ATOM 2861 C CG . MET B 2 137 ? 31.369 -47.085 -44.765 1.00 79.99 ? 135 MET L CG 1 ATOM 2862 S SD . MET B 2 137 ? 30.024 -48.253 -45.067 1.00 82.88 ? 135 MET L SD 1 ATOM 2863 C CE . MET B 2 137 ? 28.596 -47.269 -44.627 1.00 84.51 ? 135 MET L CE 1 ATOM 2864 N N . ILE B 2 138 ? 34.156 -46.310 -41.037 1.00 76.97 ? 136 ILE L N 1 ATOM 2865 C CA . ILE B 2 138 ? 34.811 -46.637 -39.775 1.00 77.59 ? 136 ILE L CA 1 ATOM 2866 C C . ILE B 2 138 ? 33.769 -46.860 -38.691 1.00 77.48 ? 136 ILE L C 1 ATOM 2867 O O . ILE B 2 138 ? 32.866 -46.045 -38.494 1.00 76.32 ? 136 ILE L O 1 ATOM 2868 C CB . ILE B 2 138 ? 35.765 -45.517 -39.329 1.00 78.07 ? 136 ILE L CB 1 ATOM 2869 C CG1 . ILE B 2 138 ? 36.518 -44.940 -40.530 1.00 77.61 ? 136 ILE L CG1 1 ATOM 2870 C CG2 . ILE B 2 138 ? 36.741 -46.044 -38.289 1.00 80.99 ? 136 ILE L CG2 1 ATOM 2871 C CD1 . ILE B 2 138 ? 37.435 -43.796 -40.168 1.00 79.94 ? 136 ILE L CD1 1 ATOM 2872 N N . ASN B 2 139 ? 33.912 -47.973 -37.987 1.00 78.82 ? 137 ASN L N 1 ATOM 2873 C CA . ASN B 2 139 ? 32.895 -48.405 -37.036 1.00 80.05 ? 137 ASN L CA 1 ATOM 2874 C C . ASN B 2 139 ? 33.433 -48.975 -35.740 1.00 81.46 ? 137 ASN L C 1 ATOM 2875 O O . ASN B 2 139 ? 34.421 -49.709 -35.713 1.00 81.89 ? 137 ASN L O 1 ATOM 2876 C CB . ASN B 2 139 ? 31.978 -49.444 -37.686 1.00 80.86 ? 137 ASN L CB 1 ATOM 2877 C CG . ASN B 2 139 ? 30.993 -50.047 -36.700 1.00 84.71 ? 137 ASN L CG 1 ATOM 2878 O OD1 . ASN B 2 139 ? 30.313 -49.326 -35.959 1.00 85.28 ? 137 ASN L OD1 1 ATOM 2879 N ND2 . ASN B 2 139 ? 30.912 -51.376 -36.682 1.00 86.80 ? 137 ASN L ND2 1 ATOM 2880 N N . GLY B 2 140 ? 32.731 -48.621 -34.672 1.00 82.45 ? 138 GLY L N 1 ATOM 2881 C CA . GLY B 2 140 ? 32.971 -49.168 -33.343 1.00 85.11 ? 138 GLY L CA 1 ATOM 2882 C C . GLY B 2 140 ? 34.326 -48.826 -32.762 1.00 85.81 ? 138 GLY L C 1 ATOM 2883 O O . GLY B 2 140 ? 35.175 -49.696 -32.574 1.00 87.68 ? 138 GLY L O 1 ATOM 2884 N N . PHE B 2 141 ? 34.524 -47.547 -32.476 1.00 84.99 ? 139 PHE L N 1 ATOM 2885 C CA . PHE B 2 141 ? 35.761 -47.096 -31.847 1.00 85.76 ? 139 PHE L CA 1 ATOM 2886 C C . PHE B 2 141 ? 35.517 -46.051 -30.779 1.00 86.87 ? 139 PHE L C 1 ATOM 2887 O O . PHE B 2 141 ? 34.571 -45.268 -30.843 1.00 86.24 ? 139 PHE L O 1 ATOM 2888 C CB . PHE B 2 141 ? 36.735 -46.555 -32.895 1.00 84.37 ? 139 PHE L CB 1 ATOM 2889 C CG . PHE B 2 141 ? 36.215 -45.371 -33.657 1.00 81.22 ? 139 PHE L CG 1 ATOM 2890 C CD1 . PHE B 2 141 ? 35.407 -45.547 -34.768 1.00 78.71 ? 139 PHE L CD1 1 ATOM 2891 C CD2 . PHE B 2 141 ? 36.542 -44.084 -33.269 1.00 80.93 ? 139 PHE L CD2 1 ATOM 2892 C CE1 . PHE B 2 141 ? 34.931 -44.460 -35.475 1.00 76.90 ? 139 PHE L CE1 1 ATOM 2893 C CE2 . PHE B 2 141 ? 36.069 -42.994 -33.971 1.00 79.65 ? 139 PHE L CE2 1 ATOM 2894 C CZ . PHE B 2 141 ? 35.262 -43.184 -35.078 1.00 77.85 ? 139 PHE L CZ 1 ATOM 2895 N N . TYR B 2 142 ? 36.385 -46.084 -29.783 1.00 89.43 ? 140 TYR L N 1 ATOM 2896 C CA . TYR B 2 142 ? 36.382 -45.107 -28.702 1.00 91.35 ? 140 TYR L CA 1 ATOM 2897 C C . TYR B 2 142 ? 37.818 -44.765 -28.322 1.00 92.66 ? 140 TYR L C 1 ATOM 2898 O O . TYR B 2 142 ? 38.656 -45.658 -28.223 1.00 93.62 ? 140 TYR L O 1 ATOM 2899 C CB . TYR B 2 142 ? 35.644 -45.661 -27.485 1.00 93.93 ? 140 TYR L CB 1 ATOM 2900 C CG . TYR B 2 142 ? 35.312 -44.613 -26.449 1.00 97.49 ? 140 TYR L CG 1 ATOM 2901 C CD1 . TYR B 2 142 ? 36.205 -44.304 -25.434 1.00 100.94 ? 140 TYR L CD1 1 ATOM 2902 C CD2 . TYR B 2 142 ? 34.104 -43.928 -26.489 1.00 99.07 ? 140 TYR L CD2 1 ATOM 2903 C CE1 . TYR B 2 142 ? 35.903 -43.348 -24.485 1.00 104.32 ? 140 TYR L CE1 1 ATOM 2904 C CE2 . TYR B 2 142 ? 33.793 -42.967 -25.543 1.00 102.13 ? 140 TYR L CE2 1 ATOM 2905 C CZ . TYR B 2 142 ? 34.695 -42.678 -24.545 1.00 104.63 ? 140 TYR L CZ 1 ATOM 2906 O OH . TYR B 2 142 ? 34.380 -41.721 -23.605 1.00 107.55 ? 140 TYR L OH 1 ATOM 2907 N N . PRO B 2 143 ? 38.116 -43.473 -28.115 1.00 93.22 ? 141 PRO L N 1 ATOM 2908 C CA . PRO B 2 143 ? 37.232 -42.315 -28.180 1.00 92.57 ? 141 PRO L CA 1 ATOM 2909 C C . PRO B 2 143 ? 37.013 -41.816 -29.600 1.00 90.10 ? 141 PRO L C 1 ATOM 2910 O O . PRO B 2 143 ? 37.486 -42.424 -30.559 1.00 88.89 ? 141 PRO L O 1 ATOM 2911 C CB . PRO B 2 143 ? 37.978 -41.268 -27.364 1.00 95.52 ? 141 PRO L CB 1 ATOM 2912 C CG . PRO B 2 143 ? 39.406 -41.636 -27.497 1.00 96.26 ? 141 PRO L CG 1 ATOM 2913 C CD . PRO B 2 143 ? 39.506 -43.085 -27.831 1.00 95.15 ? 141 PRO L CD 1 ATOM 2914 N N . ALA B 2 144 ? 36.310 -40.696 -29.706 1.00 90.21 ? 142 ALA L N 1 ATOM 2915 C CA . ALA B 2 144 ? 35.798 -40.208 -30.993 1.00 88.56 ? 142 ALA L CA 1 ATOM 2916 C C . ALA B 2 144 ? 36.829 -39.396 -31.759 1.00 89.10 ? 142 ALA L C 1 ATOM 2917 O O . ALA B 2 144 ? 36.531 -38.317 -32.265 1.00 89.66 ? 142 ALA L O 1 ATOM 2918 C CB . ALA B 2 144 ? 34.516 -39.385 -30.788 1.00 88.94 ? 142 ALA L CB 1 ATOM 2919 N N . ASP B 2 145 ? 38.039 -39.932 -31.843 1.00 89.84 ? 143 ASP L N 1 ATOM 2920 C CA . ASP B 2 145 ? 39.131 -39.272 -32.566 1.00 91.20 ? 143 ASP L CA 1 ATOM 2921 C C . ASP B 2 145 ? 39.618 -40.119 -33.728 1.00 89.29 ? 143 ASP L C 1 ATOM 2922 O O . ASP B 2 145 ? 40.150 -41.211 -33.542 1.00 89.34 ? 143 ASP L O 1 ATOM 2923 C CB . ASP B 2 145 ? 40.292 -38.964 -31.614 1.00 95.03 ? 143 ASP L CB 1 ATOM 2924 C CG . ASP B 2 145 ? 41.111 -37.759 -32.054 1.00 97.73 ? 143 ASP L CG 1 ATOM 2925 O OD1 . ASP B 2 145 ? 41.800 -37.843 -33.092 1.00 99.15 ? 143 ASP L OD1 1 ATOM 2926 O OD2 . ASP B 2 145 ? 41.070 -36.725 -31.355 1.00 97.80 ? 143 ASP L OD2 1 ATOM 2927 N N . VAL B 2 146 ? 39.435 -39.590 -34.930 1.00 88.48 ? 144 VAL L N 1 ATOM 2928 C CA . VAL B 2 146 ? 39.787 -40.312 -36.159 1.00 87.17 ? 144 VAL L CA 1 ATOM 2929 C C . VAL B 2 146 ? 40.166 -39.415 -37.329 1.00 87.87 ? 144 VAL L C 1 ATOM 2930 O O . VAL B 2 146 ? 39.443 -38.489 -37.700 1.00 87.29 ? 144 VAL L O 1 ATOM 2931 C CB . VAL B 2 146 ? 38.636 -41.234 -36.609 1.00 84.10 ? 144 VAL L CB 1 ATOM 2932 C CG1 . VAL B 2 146 ? 38.792 -41.617 -38.078 1.00 81.86 ? 144 VAL L CG1 1 ATOM 2933 C CG2 . VAL B 2 146 ? 38.591 -42.470 -35.735 1.00 84.60 ? 144 VAL L CG2 1 ATOM 2934 N N . ALA B 2 147 ? 41.316 -39.729 -37.907 1.00 89.63 ? 145 ALA L N 1 ATOM 2935 C CA . ALA B 2 147 ? 41.812 -39.040 -39.094 1.00 91.18 ? 145 ALA L CA 1 ATOM 2936 C C . ALA B 2 147 ? 41.937 -40.014 -40.253 1.00 89.49 ? 145 ALA L C 1 ATOM 2937 O O . ALA B 2 147 ? 42.743 -40.943 -40.216 1.00 90.48 ? 145 ALA L O 1 ATOM 2938 C CB . ALA B 2 147 ? 43.160 -38.386 -38.806 1.00 95.04 ? 145 ALA L CB 1 ATOM 2939 N N . VAL B 2 148 ? 41.128 -39.779 -41.279 1.00 87.29 ? 146 VAL L N 1 ATOM 2940 C CA . VAL B 2 148 ? 41.121 -40.620 -42.477 1.00 85.68 ? 146 VAL L CA 1 ATOM 2941 C C . VAL B 2 148 ? 41.949 -40.006 -43.598 1.00 88.12 ? 146 VAL L C 1 ATOM 2942 O O . VAL B 2 148 ? 41.793 -38.835 -43.948 1.00 89.15 ? 146 VAL L O 1 ATOM 2943 C CB . VAL B 2 148 ? 39.685 -40.869 -42.985 1.00 82.62 ? 146 VAL L CB 1 ATOM 2944 C CG1 . VAL B 2 148 ? 39.702 -41.769 -44.210 1.00 80.67 ? 146 VAL L CG1 1 ATOM 2945 C CG2 . VAL B 2 148 ? 38.835 -41.474 -41.881 1.00 79.84 ? 146 VAL L CG2 1 ATOM 2946 N N . THR B 2 149 ? 42.834 -40.827 -44.150 1.00 89.40 ? 147 THR L N 1 ATOM 2947 C CA . THR B 2 149 ? 43.703 -40.423 -45.255 1.00 91.92 ? 147 THR L CA 1 ATOM 2948 C C . THR B 2 149 ? 43.538 -41.350 -46.445 1.00 90.61 ? 147 THR L C 1 ATOM 2949 O O . THR B 2 149 ? 43.293 -42.548 -46.299 1.00 89.19 ? 147 THR L O 1 ATOM 2950 C CB . THR B 2 149 ? 45.184 -40.439 -44.847 1.00 95.91 ? 147 THR L CB 1 ATOM 2951 O OG1 . THR B 2 149 ? 45.316 -39.998 -43.491 1.00 97.23 ? 147 THR L OG1 1 ATOM 2952 C CG2 . THR B 2 149 ? 46.005 -39.540 -45.775 1.00 99.73 ? 147 THR L CG2 1 ATOM 2953 N N . TRP B 2 150 ? 43.704 -40.775 -47.626 1.00 91.70 ? 148 TRP L N 1 ATOM 2954 C CA . TRP B 2 150 ? 43.528 -41.508 -48.872 1.00 91.04 ? 148 TRP L CA 1 ATOM 2955 C C . TRP B 2 150 ? 44.813 -41.597 -49.663 1.00 95.24 ? 148 TRP L C 1 ATOM 2956 O O . TRP B 2 150 ? 45.678 -40.725 -49.589 1.00 99.06 ? 148 TRP L O 1 ATOM 2957 C CB . TRP B 2 150 ? 42.445 -40.857 -49.730 1.00 89.52 ? 148 TRP L CB 1 ATOM 2958 C CG . TRP B 2 150 ? 41.067 -41.010 -49.170 1.00 84.84 ? 148 TRP L CG 1 ATOM 2959 C CD1 . TRP B 2 150 ? 40.403 -40.115 -48.390 1.00 83.20 ? 148 TRP L CD1 1 ATOM 2960 C CD2 . TRP B 2 150 ? 40.183 -42.124 -49.346 1.00 80.64 ? 148 TRP L CD2 1 ATOM 2961 N NE1 . TRP B 2 150 ? 39.160 -40.597 -48.069 1.00 79.74 ? 148 TRP L NE1 1 ATOM 2962 C CE2 . TRP B 2 150 ? 38.998 -41.829 -48.644 1.00 78.24 ? 148 TRP L CE2 1 ATOM 2963 C CE3 . TRP B 2 150 ? 40.278 -43.341 -50.028 1.00 80.46 ? 148 TRP L CE3 1 ATOM 2964 C CZ2 . TRP B 2 150 ? 37.914 -42.705 -48.602 1.00 75.36 ? 148 TRP L CZ2 1 ATOM 2965 C CZ3 . TRP B 2 150 ? 39.200 -44.211 -49.987 1.00 77.60 ? 148 TRP L CZ3 1 ATOM 2966 C CH2 . TRP B 2 150 ? 38.035 -43.887 -49.280 1.00 75.54 ? 148 TRP L CH2 1 ATOM 2967 N N . GLU B 2 151 ? 44.919 -42.681 -50.414 1.00 95.79 ? 149 GLU L N 1 ATOM 2968 C CA . GLU B 2 151 ? 46.046 -42.898 -51.318 1.00 100.67 ? 149 GLU L CA 1 ATOM 2969 C C . GLU B 2 151 ? 45.655 -43.580 -52.615 1.00 100.36 ? 149 GLU L C 1 ATOM 2970 O O . GLU B 2 151 ? 44.560 -44.125 -52.768 1.00 97.44 ? 149 GLU L O 1 ATOM 2971 C CB . GLU B 2 151 ? 47.143 -43.711 -50.633 1.00 103.65 ? 149 GLU L CB 1 ATOM 2972 C CG . GLU B 2 151 ? 48.280 -42.866 -50.090 1.00 109.06 ? 149 GLU L CG 1 ATOM 2973 C CD . GLU B 2 151 ? 49.510 -43.696 -49.770 1.00 115.28 ? 149 GLU L CD 1 ATOM 2974 O OE1 . GLU B 2 151 ? 49.349 -44.891 -49.439 1.00 115.53 ? 149 GLU L OE1 1 ATOM 2975 O OE2 . GLU B 2 151 ? 50.635 -43.156 -49.850 1.00 121.29 ? 149 GLU L OE2 1 ATOM 2976 N N . ALA B 2 152 ? 46.592 -43.521 -53.545 1.00 103.99 ? 150 ALA L N 1 ATOM 2977 C CA . ALA B 2 152 ? 46.458 -44.178 -54.841 1.00 104.65 ? 150 ALA L CA 1 ATOM 2978 C C . ALA B 2 152 ? 47.818 -44.358 -55.497 1.00 110.03 ? 150 ALA L C 1 ATOM 2979 O O . ALA B 2 152 ? 48.396 -43.418 -56.045 1.00 112.87 ? 150 ALA L O 1 ATOM 2980 C CB . ALA B 2 152 ? 45.522 -43.390 -55.746 1.00 103.04 ? 150 ALA L CB 1 ATOM 2981 N N . ASP B 2 153 ? 48.314 -45.585 -55.412 1.00 111.50 ? 151 ASP L N 1 ATOM 2982 C CA . ASP B 2 153 ? 49.638 -45.947 -55.916 1.00 117.15 ? 151 ASP L CA 1 ATOM 2983 C C . ASP B 2 153 ? 50.716 -45.169 -55.176 1.00 120.20 ? 151 ASP L C 1 ATOM 2984 O O . ASP B 2 153 ? 51.682 -44.688 -55.770 1.00 125.17 ? 151 ASP L O 1 ATOM 2985 C CB . ASP B 2 153 ? 49.744 -45.716 -57.430 1.00 120.00 ? 151 ASP L CB 1 ATOM 2986 C CG . ASP B 2 153 ? 48.642 -46.421 -58.209 1.00 117.09 ? 151 ASP L CG 1 ATOM 2987 O OD1 . ASP B 2 153 ? 47.614 -46.786 -57.598 1.00 111.34 ? 151 ASP L OD1 1 ATOM 2988 O OD2 . ASP B 2 153 ? 48.804 -46.608 -59.433 1.00 120.18 ? 151 ASP L OD2 1 ATOM 2989 N N . GLY B 2 154 ? 50.529 -45.065 -53.867 1.00 117.34 ? 152 GLY L N 1 ATOM 2990 C CA . GLY B 2 154 ? 51.512 -44.457 -52.974 1.00 120.31 ? 152 GLY L CA 1 ATOM 2991 C C . GLY B 2 154 ? 51.406 -42.950 -52.975 1.00 120.38 ? 152 GLY L C 1 ATOM 2992 O O . GLY B 2 154 ? 52.102 -42.259 -52.229 1.00 123.21 ? 152 GLY L O 1 ATOM 2993 N N . THR B 2 155 ? 50.527 -42.451 -53.835 1.00 117.60 ? 153 THR L N 1 ATOM 2994 C CA . THR B 2 155 ? 50.261 -41.015 -53.944 1.00 117.52 ? 153 THR L CA 1 ATOM 2995 C C . THR B 2 155 ? 49.004 -40.634 -53.163 1.00 112.08 ? 153 THR L C 1 ATOM 2996 O O . THR B 2 155 ? 47.918 -41.128 -53.460 1.00 108.04 ? 153 THR L O 1 ATOM 2997 C CB . THR B 2 155 ? 50.075 -40.582 -55.415 1.00 119.17 ? 153 THR L CB 1 ATOM 2998 O OG1 . THR B 2 155 ? 51.326 -40.671 -56.107 1.00 123.85 ? 153 THR L OG1 1 ATOM 2999 C CG2 . THR B 2 155 ? 49.556 -39.154 -55.495 1.00 118.69 ? 153 THR L CG2 1 ATOM 3000 N N . PRO B 2 156 ? 49.145 -39.745 -52.165 1.00 112.56 ? 154 PRO L N 1 ATOM 3001 C CA . PRO B 2 156 ? 47.979 -39.364 -51.371 1.00 107.88 ? 154 PRO L CA 1 ATOM 3002 C C . PRO B 2 156 ? 47.055 -38.390 -52.076 1.00 106.82 ? 154 PRO L C 1 ATOM 3003 O O . PRO B 2 156 ? 47.498 -37.428 -52.705 1.00 110.33 ? 154 PRO L O 1 ATOM 3004 C CB . PRO B 2 156 ? 48.586 -38.706 -50.121 1.00 110.12 ? 154 PRO L CB 1 ATOM 3005 C CG . PRO B 2 156 ? 50.084 -38.840 -50.252 1.00 115.29 ? 154 PRO L CG 1 ATOM 3006 C CD . PRO B 2 156 ? 50.372 -39.087 -51.690 1.00 117.76 ? 154 PRO L CD 1 ATOM 3007 N N . ILE B 2 157 ? 45.767 -38.676 -51.956 1.00 102.15 ? 155 ILE L N 1 ATOM 3008 C CA . ILE B 2 157 ? 44.714 -37.831 -52.509 1.00 100.83 ? 155 ILE L CA 1 ATOM 3009 C C . ILE B 2 157 ? 44.067 -37.038 -51.396 1.00 99.26 ? 155 ILE L C 1 ATOM 3010 O O . ILE B 2 157 ? 43.543 -37.604 -50.437 1.00 96.33 ? 155 ILE L O 1 ATOM 3011 C CB . ILE B 2 157 ? 43.622 -38.665 -53.208 1.00 97.19 ? 155 ILE L CB 1 ATOM 3012 C CG1 . ILE B 2 157 ? 44.247 -39.695 -54.150 1.00 98.76 ? 155 ILE L CG1 1 ATOM 3013 C CG2 . ILE B 2 157 ? 42.671 -37.760 -53.975 1.00 97.79 ? 155 ILE L CG2 1 ATOM 3014 C CD1 . ILE B 2 157 ? 43.223 -40.505 -54.930 1.00 95.73 ? 155 ILE L CD1 1 ATOM 3015 N N . THR B 2 158 ? 44.110 -35.721 -51.535 1.00 102.26 ? 156 THR L N 1 ATOM 3016 C CA . THR B 2 158 ? 43.521 -34.825 -50.545 1.00 102.08 ? 156 THR L CA 1 ATOM 3017 C C . THR B 2 158 ? 42.247 -34.211 -51.091 1.00 100.93 ? 156 THR L C 1 ATOM 3018 O O . THR B 2 158 ? 41.161 -34.392 -50.549 1.00 97.38 ? 156 THR L O 1 ATOM 3019 C CB . THR B 2 158 ? 44.501 -33.693 -50.130 1.00 107.42 ? 156 THR L CB 1 ATOM 3020 O OG1 . THR B 2 158 ? 44.798 -32.847 -51.251 1.00 110.59 ? 156 THR L OG1 1 ATOM 3021 C CG2 . THR B 2 158 ? 45.795 -34.280 -49.584 1.00 109.76 ? 156 THR L CG2 1 ATOM 3022 N N . GLN B 2 159 ? 42.407 -33.488 -52.185 1.00 104.76 ? 157 GLN L N 1 ATOM 3023 C CA . GLN B 2 159 ? 41.293 -32.783 -52.818 1.00 105.10 ? 157 GLN L CA 1 ATOM 3024 C C . GLN B 2 159 ? 40.349 -33.778 -53.457 1.00 101.02 ? 157 GLN L C 1 ATOM 3025 O O . GLN B 2 159 ? 40.760 -34.655 -54.216 1.00 100.80 ? 157 GLN L O 1 ATOM 3026 C CB . GLN B 2 159 ? 41.798 -31.781 -53.862 1.00 110.82 ? 157 GLN L CB 1 ATOM 3027 C CG . GLN B 2 159 ? 42.656 -30.664 -53.280 1.00 116.36 ? 157 GLN L CG 1 ATOM 3028 C CD . GLN B 2 159 ? 43.307 -29.819 -54.355 1.00 123.05 ? 157 GLN L CD 1 ATOM 3029 O OE1 . GLN B 2 159 ? 42.988 -29.950 -55.537 1.00 123.25 ? 157 GLN L OE1 1 ATOM 3030 N NE2 . GLN B 2 159 ? 44.226 -28.948 -53.951 1.00 128.48 ? 157 GLN L NE2 1 ATOM 3031 N N . GLY B 2 160 ? 39.074 -33.625 -53.128 1.00 98.46 ? 158 GLY L N 1 ATOM 3032 C CA . GLY B 2 160 ? 38.027 -34.519 -53.620 1.00 94.51 ? 158 GLY L CA 1 ATOM 3033 C C . GLY B 2 160 ? 37.562 -35.460 -52.532 1.00 90.14 ? 158 GLY L C 1 ATOM 3034 O O . GLY B 2 160 ? 36.753 -36.364 -52.759 1.00 87.34 ? 158 GLY L O 1 ATOM 3035 N N . VAL B 2 161 ? 38.089 -35.226 -51.339 1.00 89.92 ? 159 VAL L N 1 ATOM 3036 C CA . VAL B 2 161 ? 37.760 -36.034 -50.169 1.00 86.50 ? 159 VAL L CA 1 ATOM 3037 C C . VAL B 2 161 ? 36.879 -35.294 -49.189 1.00 86.59 ? 159 VAL L C 1 ATOM 3038 O O . VAL B 2 161 ? 36.904 -34.071 -49.086 1.00 89.07 ? 159 VAL L O 1 ATOM 3039 C CB . VAL B 2 161 ? 39.021 -36.480 -49.415 1.00 86.78 ? 159 VAL L CB 1 ATOM 3040 C CG1 . VAL B 2 161 ? 38.653 -37.467 -48.317 1.00 83.05 ? 159 VAL L CG1 1 ATOM 3041 C CG2 . VAL B 2 161 ? 40.030 -37.086 -50.377 1.00 87.70 ? 159 VAL L CG2 1 ATOM 3042 N N . LYS B 2 162 ? 36.092 -36.078 -48.471 1.00 84.53 ? 160 LYS L N 1 ATOM 3043 C CA . LYS B 2 162 ? 35.254 -35.564 -47.394 1.00 85.13 ? 160 LYS L CA 1 ATOM 3044 C C . LYS B 2 162 ? 35.012 -36.625 -46.333 1.00 82.65 ? 160 LYS L C 1 ATOM 3045 O O . LYS B 2 162 ? 34.673 -37.769 -46.638 1.00 80.36 ? 160 LYS L O 1 ATOM 3046 C CB . LYS B 2 162 ? 33.925 -35.031 -47.948 1.00 85.92 ? 160 LYS L CB 1 ATOM 3047 C CG . LYS B 2 162 ? 33.192 -35.995 -48.872 1.00 85.74 ? 160 LYS L CG 1 ATOM 3048 C CD . LYS B 2 162 ? 31.857 -35.422 -49.354 1.00 87.91 ? 160 LYS L CD 1 ATOM 3049 C CE . LYS B 2 162 ? 31.022 -36.479 -50.074 1.00 86.03 ? 160 LYS L CE 1 ATOM 3050 N NZ . LYS B 2 162 ? 29.655 -35.999 -50.425 1.00 85.95 ? 160 LYS L NZ 1 ATOM 3051 N N . THR B 2 163 ? 35.218 -36.227 -45.085 1.00 83.82 ? 161 THR L N 1 ATOM 3052 C CA . THR B 2 163 ? 35.053 -37.120 -43.943 1.00 82.46 ? 161 THR L CA 1 ATOM 3053 C C . THR B 2 163 ? 34.038 -36.560 -42.964 1.00 83.36 ? 161 THR L C 1 ATOM 3054 O O . THR B 2 163 ? 34.068 -35.378 -42.615 1.00 86.04 ? 161 THR L O 1 ATOM 3055 C CB . THR B 2 163 ? 36.383 -37.327 -43.203 1.00 83.52 ? 161 THR L CB 1 ATOM 3056 O OG1 . THR B 2 163 ? 37.441 -37.527 -44.151 1.00 84.69 ? 161 THR L OG1 1 ATOM 3057 C CG2 . THR B 2 163 ? 36.291 -38.528 -42.268 1.00 81.50 ? 161 THR L CG2 1 ATOM 3058 N N . THR B 2 164 ? 33.140 -37.433 -42.527 1.00 81.94 ? 162 THR L N 1 ATOM 3059 C CA . THR B 2 164 ? 32.068 -37.046 -41.604 1.00 82.87 ? 162 THR L CA 1 ATOM 3060 C C . THR B 2 164 ? 32.592 -36.904 -40.198 1.00 84.78 ? 162 THR L C 1 ATOM 3061 O O . THR B 2 164 ? 33.636 -37.452 -39.844 1.00 84.34 ? 162 THR L O 1 ATOM 3062 C CB . THR B 2 164 ? 30.915 -38.069 -41.566 1.00 80.98 ? 162 THR L CB 1 ATOM 3063 O OG1 . THR B 2 164 ? 31.381 -39.297 -40.999 1.00 76.07 ? 162 THR L OG1 1 ATOM 3064 C CG2 . THR B 2 164 ? 30.369 -38.318 -42.959 1.00 81.31 ? 162 THR L CG2 1 ATOM 3065 N N . GLN B 2 165 ? 31.846 -36.145 -39.406 1.00 87.90 ? 163 GLN L N 1 ATOM 3066 C CA . GLN B 2 165 ? 32.116 -36.006 -37.968 1.00 90.17 ? 163 GLN L CA 1 ATOM 3067 C C . GLN B 2 165 ? 31.691 -37.283 -37.238 1.00 88.82 ? 163 GLN L C 1 ATOM 3068 O O . GLN B 2 165 ? 30.642 -37.850 -37.537 1.00 88.06 ? 163 GLN L O 1 ATOM 3069 C CB . GLN B 2 165 ? 31.397 -34.785 -37.360 1.00 93.59 ? 163 GLN L CB 1 ATOM 3070 C CG . GLN B 2 165 ? 29.866 -34.867 -37.353 1.00 95.07 ? 163 GLN L CG 1 ATOM 3071 C CD . GLN B 2 165 ? 29.229 -33.880 -36.403 1.00 98.90 ? 163 GLN L CD 1 ATOM 3072 O OE1 . GLN B 2 165 ? 29.838 -32.880 -36.024 1.00 102.97 ? 163 GLN L OE1 1 ATOM 3073 N NE2 . GLN B 2 165 ? 27.991 -34.156 -36.011 1.00 99.45 ? 163 GLN L NE2 1 ATOM 3074 N N . PRO B 2 166 ? 32.506 -37.748 -36.283 1.00 89.31 ? 164 PRO L N 1 ATOM 3075 C CA . PRO B 2 166 ? 32.109 -38.950 -35.560 1.00 88.87 ? 164 PRO L CA 1 ATOM 3076 C C . PRO B 2 166 ? 30.826 -38.749 -34.779 1.00 91.00 ? 164 PRO L C 1 ATOM 3077 O O . PRO B 2 166 ? 30.541 -37.649 -34.296 1.00 93.14 ? 164 PRO L O 1 ATOM 3078 C CB . PRO B 2 166 ? 33.284 -39.200 -34.607 1.00 89.67 ? 164 PRO L CB 1 ATOM 3079 C CG . PRO B 2 166 ? 34.418 -38.406 -35.157 1.00 90.26 ? 164 PRO L CG 1 ATOM 3080 C CD . PRO B 2 166 ? 33.810 -37.232 -35.836 1.00 90.77 ? 164 PRO L CD 1 ATOM 3081 N N . SER B 2 167 ? 30.051 -39.820 -34.695 1.00 90.91 ? 165 SER L N 1 ATOM 3082 C CA . SER B 2 167 ? 28.840 -39.841 -33.876 1.00 93.74 ? 165 SER L CA 1 ATOM 3083 C C . SER B 2 167 ? 28.713 -41.160 -33.140 1.00 94.53 ? 165 SER L C 1 ATOM 3084 O O . SER B 2 167 ? 29.215 -42.201 -33.573 1.00 92.37 ? 165 SER L O 1 ATOM 3085 C CB . SER B 2 167 ? 27.584 -39.573 -34.716 1.00 94.16 ? 165 SER L CB 1 ATOM 3086 O OG . SER B 2 167 ? 27.026 -40.774 -35.225 1.00 94.09 ? 165 SER L OG 1 ATOM 3087 N N . LYS B 2 168 ? 28.022 -41.094 -32.015 1.00 98.30 ? 166 LYS L N 1 ATOM 3088 C CA . LYS B 2 168 ? 27.942 -42.230 -31.111 1.00 100.70 ? 166 LYS L CA 1 ATOM 3089 C C . LYS B 2 168 ? 26.927 -43.274 -31.532 1.00 101.99 ? 166 LYS L C 1 ATOM 3090 O O . LYS B 2 168 ? 25.783 -42.969 -31.868 1.00 104.03 ? 166 LYS L O 1 ATOM 3091 C CB . LYS B 2 168 ? 27.615 -41.775 -29.683 1.00 104.01 ? 166 LYS L CB 1 ATOM 3092 C CG . LYS B 2 168 ? 27.791 -42.868 -28.631 1.00 107.00 ? 166 LYS L CG 1 ATOM 3093 C CD . LYS B 2 168 ? 27.533 -42.337 -27.233 1.00 112.24 ? 166 LYS L CD 1 ATOM 3094 C CE . LYS B 2 168 ? 28.275 -43.166 -26.190 1.00 114.94 ? 166 LYS L CE 1 ATOM 3095 N NZ . LYS B 2 168 ? 28.025 -42.702 -24.794 1.00 118.62 ? 166 LYS L NZ 1 ATOM 3096 N N . SER B 2 169 ? 27.387 -44.516 -31.533 1.00 102.02 ? 168 SER L N 1 ATOM 3097 C CA . SER B 2 169 ? 26.528 -45.628 -31.178 1.00 104.58 ? 168 SER L CA 1 ATOM 3098 C C . SER B 2 169 ? 26.858 -45.954 -29.732 1.00 106.91 ? 168 SER L C 1 ATOM 3099 O O . SER B 2 169 ? 27.948 -45.660 -29.234 1.00 106.29 ? 168 SER L O 1 ATOM 3100 C CB . SER B 2 169 ? 26.756 -46.860 -32.034 1.00 103.61 ? 168 SER L CB 1 ATOM 3101 O OG . SER B 2 169 ? 28.137 -47.115 -32.203 1.00 102.57 ? 168 SER L OG 1 ATOM 3102 N N . ASP B 2 170 ? 25.928 -46.623 -29.077 1.00 110.04 ? 170 ASP L N 1 ATOM 3103 C CA . ASP B 2 170 ? 25.894 -46.618 -27.618 1.00 112.98 ? 170 ASP L CA 1 ATOM 3104 C C . ASP B 2 170 ? 27.264 -46.802 -26.969 1.00 111.57 ? 170 ASP L C 1 ATOM 3105 O O . ASP B 2 170 ? 27.638 -46.067 -26.056 1.00 112.55 ? 170 ASP L O 1 ATOM 3106 C CB . ASP B 2 170 ? 24.908 -47.665 -27.096 1.00 117.28 ? 170 ASP L CB 1 ATOM 3107 C CG . ASP B 2 170 ? 23.467 -47.198 -27.185 1.00 120.78 ? 170 ASP L CG 1 ATOM 3108 O OD1 . ASP B 2 170 ? 23.243 -45.990 -27.420 1.00 121.31 ? 170 ASP L OD1 1 ATOM 3109 O OD2 . ASP B 2 170 ? 22.557 -48.038 -27.022 1.00 125.70 ? 170 ASP L OD2 1 ATOM 3110 N N . SER B 2 171 ? 28.007 -47.792 -27.430 1.00 109.50 ? 171 SER L N 1 ATOM 3111 C CA . SER B 2 171 ? 29.233 -48.164 -26.734 1.00 109.26 ? 171 SER L CA 1 ATOM 3112 C C . SER B 2 171 ? 30.467 -47.726 -27.517 1.00 105.05 ? 171 SER L C 1 ATOM 3113 O O . SER B 2 171 ? 31.599 -48.023 -27.144 1.00 105.46 ? 171 SER L O 1 ATOM 3114 C CB . SER B 2 171 ? 29.274 -49.674 -26.489 1.00 110.96 ? 171 SER L CB 1 ATOM 3115 O OG . SER B 2 171 ? 29.350 -50.386 -27.712 1.00 109.53 ? 171 SER L OG 1 ATOM 3116 N N . LYS B 2 172 ? 30.210 -47.003 -28.593 1.00 100.96 ? 172 LYS L N 1 ATOM 3117 C CA . LYS B 2 172 ? 31.270 -46.647 -29.544 1.00 96.77 ? 172 LYS L CA 1 ATOM 3118 C C . LYS B 2 172 ? 30.894 -45.477 -30.435 1.00 93.17 ? 172 LYS L C 1 ATOM 3119 O O . LYS B 2 172 ? 29.745 -45.050 -30.477 1.00 93.87 ? 172 LYS L O 1 ATOM 3120 C CB . LYS B 2 172 ? 31.624 -47.873 -30.398 1.00 96.33 ? 172 LYS L CB 1 ATOM 3121 C CG . LYS B 2 172 ? 32.485 -48.904 -29.676 1.00 99.74 ? 172 LYS L CG 1 ATOM 3122 C CD . LYS B 2 172 ? 32.238 -50.305 -30.217 1.00 102.86 ? 172 LYS L CD 1 ATOM 3123 C CE . LYS B 2 172 ? 33.439 -51.213 -29.992 1.00 105.54 ? 172 LYS L CE 1 ATOM 3124 N NZ . LYS B 2 172 ? 33.341 -52.491 -30.757 1.00 106.62 ? 172 LYS L NZ 1 ATOM 3125 N N . TYR B 2 173 ? 31.895 -44.947 -31.121 1.00 89.41 ? 173 TYR L N 1 ATOM 3126 C CA . TYR B 2 173 ? 31.682 -43.919 -32.140 1.00 86.67 ? 173 TYR L CA 1 ATOM 3127 C C . TYR B 2 173 ? 31.818 -44.502 -33.539 1.00 83.60 ? 173 TYR L C 1 ATOM 3128 O O . TYR B 2 173 ? 32.523 -45.483 -33.758 1.00 83.14 ? 173 TYR L O 1 ATOM 3129 C CB . TYR B 2 173 ? 32.669 -42.764 -31.964 1.00 87.01 ? 173 TYR L CB 1 ATOM 3130 C CG . TYR B 2 173 ? 32.325 -41.815 -30.838 1.00 90.36 ? 173 TYR L CG 1 ATOM 3131 C CD1 . TYR B 2 173 ? 32.744 -42.067 -29.537 1.00 93.44 ? 173 TYR L CD1 1 ATOM 3132 C CD2 . TYR B 2 173 ? 31.594 -40.657 -31.077 1.00 92.18 ? 173 TYR L CD2 1 ATOM 3133 C CE1 . TYR B 2 173 ? 32.438 -41.199 -28.506 1.00 96.89 ? 173 TYR L CE1 1 ATOM 3134 C CE2 . TYR B 2 173 ? 31.281 -39.782 -30.050 1.00 95.62 ? 173 TYR L CE2 1 ATOM 3135 C CZ . TYR B 2 173 ? 31.708 -40.057 -28.767 1.00 98.14 ? 173 TYR L CZ 1 ATOM 3136 O OH . TYR B 2 173 ? 31.404 -39.191 -27.741 1.00 101.18 ? 173 TYR L OH 1 ATOM 3137 N N . MET B 2 174 ? 31.133 -43.871 -34.480 1.00 81.90 ? 174 MET L N 1 ATOM 3138 C CA . MET B 2 174 ? 31.150 -44.302 -35.883 1.00 79.96 ? 174 MET L CA 1 ATOM 3139 C C . MET B 2 174 ? 31.273 -43.143 -36.855 1.00 78.18 ? 174 MET L C 1 ATOM 3140 O O . MET B 2 174 ? 30.721 -42.067 -36.644 1.00 79.00 ? 174 MET L O 1 ATOM 3141 C CB . MET B 2 174 ? 29.884 -45.097 -36.216 1.00 80.88 ? 174 MET L CB 1 ATOM 3142 C CG . MET B 2 174 ? 28.587 -44.402 -35.809 1.00 83.74 ? 174 MET L CG 1 ATOM 3143 S SD . MET B 2 174 ? 27.156 -44.881 -36.798 1.00 84.73 ? 174 MET L SD 1 ATOM 3144 C CE . MET B 2 174 ? 25.889 -43.862 -36.038 1.00 88.20 ? 174 MET L CE 1 ATOM 3145 N N . ALA B 2 175 ? 32.003 -43.389 -37.931 1.00 76.48 ? 175 ALA L N 1 ATOM 3146 C CA . ALA B 2 175 ? 32.166 -42.399 -39.001 1.00 75.82 ? 175 ALA L CA 1 ATOM 3147 C C . ALA B 2 175 ? 32.435 -43.030 -40.354 1.00 74.98 ? 175 ALA L C 1 ATOM 3148 O O . ALA B 2 175 ? 32.630 -44.239 -40.468 1.00 74.97 ? 175 ALA L O 1 ATOM 3149 C CB . ALA B 2 175 ? 33.283 -41.444 -38.658 1.00 76.58 ? 175 ALA L CB 1 ATOM 3150 N N . THR B 2 176 ? 32.440 -42.182 -41.372 1.00 74.99 ? 176 THR L N 1 ATOM 3151 C CA . THR B 2 176 ? 32.800 -42.596 -42.734 1.00 74.93 ? 176 THR L CA 1 ATOM 3152 C C . THR B 2 176 ? 33.461 -41.485 -43.529 1.00 75.02 ? 176 THR L C 1 ATOM 3153 O O . THR B 2 176 ? 33.173 -40.303 -43.345 1.00 75.60 ? 176 THR L O 1 ATOM 3154 C CB . THR B 2 176 ? 31.576 -43.078 -43.544 1.00 74.86 ? 176 THR L CB 1 ATOM 3155 O OG1 . THR B 2 176 ? 30.670 -41.988 -43.745 1.00 77.22 ? 176 THR L OG1 1 ATOM 3156 C CG2 . THR B 2 176 ? 30.862 -44.208 -42.828 1.00 75.68 ? 176 THR L CG2 1 ATOM 3157 N N . SER B 2 177 ? 34.351 -41.896 -44.421 1.00 75.23 ? 177 SER L N 1 ATOM 3158 C CA . SER B 2 177 ? 35.014 -40.974 -45.340 1.00 76.43 ? 177 SER L CA 1 ATOM 3159 C C . SER B 2 177 ? 34.705 -41.336 -46.785 1.00 76.30 ? 177 SER L C 1 ATOM 3160 O O . SER B 2 177 ? 34.633 -42.509 -47.151 1.00 74.80 ? 177 SER L O 1 ATOM 3161 C CB . SER B 2 177 ? 36.529 -40.973 -45.118 1.00 77.53 ? 177 SER L CB 1 ATOM 3162 O OG . SER B 2 177 ? 37.113 -39.794 -45.649 1.00 76.96 ? 177 SER L OG 1 ATOM 3163 N N . TYR B 2 178 ? 34.528 -40.300 -47.592 1.00 77.83 ? 178 TYR L N 1 ATOM 3164 C CA . TYR B 2 178 ? 34.237 -40.459 -49.009 1.00 78.54 ? 178 TYR L CA 1 ATOM 3165 C C . TYR B 2 178 ? 35.332 -39.875 -49.886 1.00 80.83 ? 178 TYR L C 1 ATOM 3166 O O . TYR B 2 178 ? 35.773 -38.736 -49.707 1.00 82.01 ? 178 TYR L O 1 ATOM 3167 C CB . TYR B 2 178 ? 32.905 -39.794 -49.359 1.00 79.03 ? 178 TYR L CB 1 ATOM 3168 C CG . TYR B 2 178 ? 31.751 -40.198 -48.472 1.00 78.56 ? 178 TYR L CG 1 ATOM 3169 C CD1 . TYR B 2 178 ? 31.159 -41.445 -48.594 1.00 77.98 ? 178 TYR L CD1 1 ATOM 3170 C CD2 . TYR B 2 178 ? 31.243 -39.326 -47.522 1.00 80.49 ? 178 TYR L CD2 1 ATOM 3171 C CE1 . TYR B 2 178 ? 30.101 -41.816 -47.787 1.00 76.97 ? 178 TYR L CE1 1 ATOM 3172 C CE2 . TYR B 2 178 ? 30.183 -39.690 -46.714 1.00 80.38 ? 178 TYR L CE2 1 ATOM 3173 C CZ . TYR B 2 178 ? 29.617 -40.935 -46.854 1.00 77.34 ? 178 TYR L CZ 1 ATOM 3174 O OH . TYR B 2 178 ? 28.567 -41.297 -46.049 1.00 79.91 ? 178 TYR L OH 1 ATOM 3175 N N . LEU B 2 179 ? 35.754 -40.688 -50.843 1.00 81.68 ? 179 LEU L N 1 ATOM 3176 C CA . LEU B 2 179 ? 36.659 -40.251 -51.896 1.00 84.62 ? 179 LEU L CA 1 ATOM 3177 C C . LEU B 2 179 ? 35.894 -40.214 -53.208 1.00 85.59 ? 179 LEU L C 1 ATOM 3178 O O . LEU B 2 179 ? 35.318 -41.214 -53.643 1.00 84.12 ? 179 LEU L O 1 ATOM 3179 C CB . LEU B 2 179 ? 37.859 -41.196 -52.004 1.00 85.45 ? 179 LEU L CB 1 ATOM 3180 C CG . LEU B 2 179 ? 39.026 -40.728 -52.880 1.00 88.01 ? 179 LEU L CG 1 ATOM 3181 C CD1 . LEU B 2 179 ? 39.689 -39.501 -52.281 1.00 89.63 ? 179 LEU L CD1 1 ATOM 3182 C CD2 . LEU B 2 179 ? 40.038 -41.847 -53.055 1.00 88.35 ? 179 LEU L CD2 1 ATOM 3183 N N . THR B 2 180 ? 35.891 -39.038 -53.823 1.00 88.27 ? 180 THR L N 1 ATOM 3184 C CA . THR B 2 180 ? 35.159 -38.810 -55.068 1.00 89.95 ? 180 THR L CA 1 ATOM 3185 C C . THR B 2 180 ? 36.083 -38.565 -56.251 1.00 92.96 ? 180 THR L C 1 ATOM 3186 O O . THR B 2 180 ? 36.596 -37.465 -56.445 1.00 95.16 ? 180 THR L O 1 ATOM 3187 C CB . THR B 2 180 ? 34.176 -37.633 -54.926 1.00 91.01 ? 180 THR L CB 1 ATOM 3188 O OG1 . THR B 2 180 ? 32.973 -38.099 -54.301 1.00 89.26 ? 180 THR L OG1 1 ATOM 3189 C CG2 . THR B 2 180 ? 33.831 -37.037 -56.288 1.00 93.73 ? 180 THR L CG2 1 ATOM 3190 N N . MET B 2 181 ? 36.266 -39.617 -57.040 1.00 93.71 ? 181 MET L N 1 ATOM 3191 C CA . MET B 2 181 ? 37.058 -39.561 -58.268 1.00 97.21 ? 181 MET L CA 1 ATOM 3192 C C . MET B 2 181 ? 36.137 -39.254 -59.435 1.00 98.58 ? 181 MET L C 1 ATOM 3193 O O . MET B 2 181 ? 35.012 -38.794 -59.256 1.00 97.90 ? 181 MET L O 1 ATOM 3194 C CB . MET B 2 181 ? 37.782 -40.899 -58.518 1.00 97.30 ? 181 MET L CB 1 ATOM 3195 C CG . MET B 2 181 ? 38.872 -41.231 -57.514 1.00 98.92 ? 181 MET L CG 1 ATOM 3196 S SD . MET B 2 181 ? 39.752 -42.753 -57.935 1.00 103.80 ? 181 MET L SD 1 ATOM 3197 C CE . MET B 2 181 ? 38.523 -43.982 -57.517 1.00 99.48 ? 181 MET L CE 1 ATOM 3198 N N . THR B 2 182 ? 36.652 -39.479 -60.633 1.00 101.60 ? 182 THR L N 1 ATOM 3199 C CA . THR B 2 182 ? 35.844 -39.540 -61.841 1.00 102.94 ? 182 THR L CA 1 ATOM 3200 C C . THR B 2 182 ? 35.906 -40.969 -62.351 1.00 102.82 ? 182 THR L C 1 ATOM 3201 O O . THR B 2 182 ? 36.580 -41.818 -61.767 1.00 101.71 ? 182 THR L O 1 ATOM 3202 C CB . THR B 2 182 ? 36.370 -38.586 -62.926 1.00 106.99 ? 182 THR L CB 1 ATOM 3203 O OG1 . THR B 2 182 ? 37.769 -38.823 -63.132 1.00 108.60 ? 182 THR L OG1 1 ATOM 3204 C CG2 . THR B 2 182 ? 36.153 -37.140 -62.512 1.00 108.29 ? 182 THR L CG2 1 ATOM 3205 N N . ALA B 2 183 ? 35.204 -41.226 -63.444 1.00 104.63 ? 183 ALA L N 1 ATOM 3206 C CA . ALA B 2 183 ? 35.181 -42.561 -64.036 1.00 105.03 ? 183 ALA L CA 1 ATOM 3207 C C . ALA B 2 183 ? 36.606 -43.002 -64.320 1.00 107.13 ? 183 ALA L C 1 ATOM 3208 O O . ALA B 2 183 ? 37.056 -44.057 -63.869 1.00 106.21 ? 183 ALA L O 1 ATOM 3209 C CB . ALA B 2 183 ? 34.357 -42.571 -65.323 1.00 107.18 ? 183 ALA L CB 1 ATOM 3210 N N . ASP B 2 184 ? 37.307 -42.156 -65.063 1.00 110.36 ? 184 ASP L N 1 ATOM 3211 C CA . ASP B 2 184 ? 38.672 -42.461 -65.530 1.00 113.50 ? 184 ASP L CA 1 ATOM 3212 C C . ASP B 2 184 ? 39.680 -42.442 -64.395 1.00 112.44 ? 184 ASP L C 1 ATOM 3213 O O . ASP B 2 184 ? 40.614 -43.246 -64.360 1.00 113.71 ? 184 ASP L O 1 ATOM 3214 C CB . ASP B 2 184 ? 39.121 -41.510 -66.651 1.00 117.98 ? 184 ASP L CB 1 ATOM 3215 C CG . ASP B 2 184 ? 38.858 -40.054 -66.324 1.00 119.24 ? 184 ASP L CG 1 ATOM 3216 O OD1 . ASP B 2 184 ? 37.696 -39.730 -65.996 1.00 117.34 ? 184 ASP L OD1 1 ATOM 3217 O OD2 . ASP B 2 184 ? 39.803 -39.240 -66.400 1.00 123.44 ? 184 ASP L OD2 1 ATOM 3218 N N . ALA B 2 185 ? 39.477 -41.519 -63.466 1.00 110.40 ? 185 ALA L N 1 ATOM 3219 C CA . ALA B 2 185 ? 40.390 -41.369 -62.330 1.00 109.57 ? 185 ALA L CA 1 ATOM 3220 C C . ALA B 2 185 ? 40.433 -42.671 -61.549 1.00 106.99 ? 185 ALA L C 1 ATOM 3221 O O . ALA B 2 185 ? 41.480 -43.097 -61.061 1.00 107.91 ? 185 ALA L O 1 ATOM 3222 C CB . ALA B 2 185 ? 39.960 -40.214 -61.423 1.00 107.78 ? 185 ALA L CB 1 ATOM 3223 N N . TRP B 2 186 ? 39.270 -43.299 -61.465 1.00 104.41 ? 186 TRP L N 1 ATOM 3224 C CA . TRP B 2 186 ? 39.097 -44.545 -60.705 1.00 102.60 ? 186 TRP L CA 1 ATOM 3225 C C . TRP B 2 186 ? 39.770 -45.724 -61.410 1.00 105.79 ? 186 TRP L C 1 ATOM 3226 O O . TRP B 2 186 ? 40.436 -46.553 -60.783 1.00 106.11 ? 186 TRP L O 1 ATOM 3227 C CB . TRP B 2 186 ? 37.603 -44.863 -60.485 1.00 99.92 ? 186 TRP L CB 1 ATOM 3228 C CG . TRP B 2 186 ? 37.327 -46.310 -60.200 1.00 98.18 ? 186 TRP L CG 1 ATOM 3229 C CD1 . TRP B 2 186 ? 36.622 -47.177 -60.982 1.00 98.45 ? 186 TRP L CD1 1 ATOM 3230 C CD2 . TRP B 2 186 ? 37.765 -47.061 -59.061 1.00 95.98 ? 186 TRP L CD2 1 ATOM 3231 N NE1 . TRP B 2 186 ? 36.591 -48.421 -60.399 1.00 98.40 ? 186 TRP L NE1 1 ATOM 3232 C CE2 . TRP B 2 186 ? 37.288 -48.376 -59.220 1.00 96.53 ? 186 TRP L CE2 1 ATOM 3233 C CE3 . TRP B 2 186 ? 38.519 -46.749 -57.926 1.00 94.85 ? 186 TRP L CE3 1 ATOM 3234 C CZ2 . TRP B 2 186 ? 37.533 -49.377 -58.284 1.00 95.88 ? 186 TRP L CZ2 1 ATOM 3235 C CZ3 . TRP B 2 186 ? 38.762 -47.746 -56.997 1.00 93.95 ? 186 TRP L CZ3 1 ATOM 3236 C CH2 . TRP B 2 186 ? 38.270 -49.043 -57.181 1.00 94.37 ? 186 TRP L CH2 1 ATOM 3237 N N . LYS B 2 187 ? 39.601 -45.772 -62.725 1.00 108.58 ? 187 LYS L N 1 ATOM 3238 C CA . LYS B 2 187 ? 39.929 -46.967 -63.508 1.00 111.57 ? 187 LYS L CA 1 ATOM 3239 C C . LYS B 2 187 ? 41.332 -46.890 -64.083 1.00 115.70 ? 187 LYS L C 1 ATOM 3240 O O . LYS B 2 187 ? 41.748 -47.744 -64.865 1.00 118.92 ? 187 LYS L O 1 ATOM 3241 C CB . LYS B 2 187 ? 38.913 -47.159 -64.637 1.00 112.77 ? 187 LYS L CB 1 ATOM 3242 C CG . LYS B 2 187 ? 38.656 -48.610 -64.989 1.00 114.90 ? 187 LYS L CG 1 ATOM 3243 C CD . LYS B 2 187 ? 37.427 -48.746 -65.876 1.00 116.74 ? 187 LYS L CD 1 ATOM 3244 C CE . LYS B 2 187 ? 36.859 -50.155 -65.849 1.00 117.95 ? 187 LYS L CE 1 ATOM 3245 N NZ . LYS B 2 187 ? 35.636 -50.273 -66.693 1.00 118.16 ? 187 LYS L NZ 1 ATOM 3246 N N . SER B 2 188 ? 42.056 -45.855 -63.681 1.00 116.34 ? 188 SER L N 1 ATOM 3247 C CA . SER B 2 188 ? 43.410 -45.621 -64.191 1.00 121.04 ? 188 SER L CA 1 ATOM 3248 C C . SER B 2 188 ? 44.457 -45.676 -63.091 1.00 121.52 ? 188 SER L C 1 ATOM 3249 O O . SER B 2 188 ? 45.621 -45.345 -63.310 1.00 125.65 ? 188 SER L O 1 ATOM 3250 C CB . SER B 2 188 ? 43.486 -44.270 -64.908 1.00 123.12 ? 188 SER L CB 1 ATOM 3251 O OG . SER B 2 188 ? 43.169 -43.204 -64.030 1.00 120.24 ? 188 SER L OG 1 ATOM 3252 N N . ARG B 2 189 ? 44.029 -46.108 -61.913 1.00 117.82 ? 189 ARG L N 1 ATOM 3253 C CA . ARG B 2 189 ? 44.911 -46.182 -60.749 1.00 118.23 ? 189 ARG L CA 1 ATOM 3254 C C . ARG B 2 189 ? 44.909 -47.569 -60.125 1.00 117.34 ? 189 ARG L C 1 ATOM 3255 O O . ARG B 2 189 ? 43.859 -48.133 -59.826 1.00 114.53 ? 189 ARG L O 1 ATOM 3256 C CB . ARG B 2 189 ? 44.519 -45.119 -59.718 1.00 115.19 ? 189 ARG L CB 1 ATOM 3257 C CG . ARG B 2 189 ? 44.557 -43.699 -60.273 1.00 118.68 ? 189 ARG L CG 1 ATOM 3258 C CD . ARG B 2 189 ? 44.451 -42.637 -59.184 1.00 119.48 ? 189 ARG L CD 1 ATOM 3259 N NE . ARG B 2 189 ? 44.761 -41.306 -59.705 1.00 124.96 ? 189 ARG L NE 1 ATOM 3260 C CZ . ARG B 2 189 ? 45.028 -40.244 -58.951 1.00 127.99 ? 189 ARG L CZ 1 ATOM 3261 N NH1 . ARG B 2 189 ? 45.026 -40.342 -57.627 1.00 126.84 ? 189 ARG L NH1 1 ATOM 3262 N NH2 . ARG B 2 189 ? 45.303 -39.079 -59.523 1.00 131.68 ? 189 ARG L NH2 1 ATOM 3263 N N . ASN B 2 190 ? 46.114 -48.095 -59.930 1.00 120.66 ? 190 ASN L N 1 ATOM 3264 C CA . ASN B 2 190 ? 46.325 -49.479 -59.454 1.00 121.03 ? 190 ASN L CA 1 ATOM 3265 C C . ASN B 2 190 ? 45.512 -49.848 -58.217 1.00 116.34 ? 190 ASN L C 1 ATOM 3266 O O . ASN B 2 190 ? 44.500 -50.549 -58.302 1.00 114.51 ? 190 ASN L O 1 ATOM 3267 C CB . ASN B 2 190 ? 47.813 -49.744 -59.154 1.00 125.74 ? 190 ASN L CB 1 ATOM 3268 C CG . ASN B 2 190 ? 48.647 -49.922 -60.413 1.00 130.19 ? 190 ASN L CG 1 ATOM 3269 O OD1 . ASN B 2 190 ? 48.284 -50.680 -61.314 1.00 129.65 ? 190 ASN L OD1 1 ATOM 3270 N ND2 . ASN B 2 190 ? 49.783 -49.237 -60.469 1.00 131.76 ? 190 ASN L ND2 1 ATOM 3271 N N . THR B 2 191 ? 45.987 -49.391 -57.065 1.00 114.81 ? 191 THR L N 1 ATOM 3272 C CA . THR B 2 191 ? 45.365 -49.737 -55.788 1.00 110.78 ? 191 THR L CA 1 ATOM 3273 C C . THR B 2 191 ? 45.082 -48.531 -54.916 1.00 107.02 ? 191 THR L C 1 ATOM 3274 O O . THR B 2 191 ? 45.978 -47.762 -54.574 1.00 108.78 ? 191 THR L O 1 ATOM 3275 C CB . THR B 2 191 ? 46.250 -50.708 -54.987 1.00 113.44 ? 191 THR L CB 1 ATOM 3276 O OG1 . THR B 2 191 ? 46.656 -51.797 -55.827 1.00 117.34 ? 191 THR L OG1 1 ATOM 3277 C CG2 . THR B 2 191 ? 45.496 -51.246 -53.779 1.00 110.24 ? 191 THR L CG2 1 ATOM 3278 N N . PHE B 2 192 ? 43.812 -48.399 -54.557 1.00 102.35 ? 192 PHE L N 1 ATOM 3279 C CA . PHE B 2 192 ? 43.348 -47.357 -53.635 1.00 98.81 ? 192 PHE L CA 1 ATOM 3280 C C . PHE B 2 192 ? 43.388 -47.848 -52.196 1.00 97.64 ? 192 PHE L C 1 ATOM 3281 O O . PHE B 2 192 ? 43.127 -49.017 -51.904 1.00 97.83 ? 192 PHE L O 1 ATOM 3282 C CB . PHE B 2 192 ? 41.928 -46.898 -53.978 1.00 95.36 ? 192 PHE L CB 1 ATOM 3283 C CG . PHE B 2 192 ? 41.845 -46.029 -55.202 1.00 96.15 ? 192 PHE L CG 1 ATOM 3284 C CD1 . PHE B 2 192 ? 41.844 -46.589 -56.469 1.00 98.78 ? 192 PHE L CD1 1 ATOM 3285 C CD2 . PHE B 2 192 ? 41.740 -44.651 -55.085 1.00 95.86 ? 192 PHE L CD2 1 ATOM 3286 C CE1 . PHE B 2 192 ? 41.756 -45.790 -57.598 1.00 99.99 ? 192 PHE L CE1 1 ATOM 3287 C CE2 . PHE B 2 192 ? 41.651 -43.847 -56.208 1.00 97.54 ? 192 PHE L CE2 1 ATOM 3288 C CZ . PHE B 2 192 ? 41.660 -44.416 -57.467 1.00 99.55 ? 192 PHE L CZ 1 ATOM 3289 N N . ILE B 2 193 ? 43.735 -46.929 -51.306 1.00 96.82 ? 193 ILE L N 1 ATOM 3290 C CA . ILE B 2 193 ? 43.763 -47.205 -49.868 1.00 95.68 ? 193 ILE L CA 1 ATOM 3291 C C . ILE B 2 193 ? 43.183 -46.056 -49.058 1.00 93.06 ? 193 ILE L C 1 ATOM 3292 O O . ILE B 2 193 ? 43.458 -44.892 -49.329 1.00 94.17 ? 193 ILE L O 1 ATOM 3293 C CB . ILE B 2 193 ? 45.208 -47.457 -49.378 1.00 99.32 ? 193 ILE L CB 1 ATOM 3294 C CG1 . ILE B 2 193 ? 45.923 -48.458 -50.288 1.00 102.81 ? 193 ILE L CG1 1 ATOM 3295 C CG2 . ILE B 2 193 ? 45.211 -47.952 -47.936 1.00 98.39 ? 193 ILE L CG2 1 ATOM 3296 C CD1 . ILE B 2 193 ? 47.348 -48.756 -49.857 1.00 107.27 ? 193 ILE L CD1 1 ATOM 3297 N N . CYS B 2 194 ? 42.363 -46.403 -48.074 1.00 90.59 ? 194 CYS L N 1 ATOM 3298 C CA . CYS B 2 194 ? 41.949 -45.448 -47.041 1.00 89.28 ? 194 CYS L CA 1 ATOM 3299 C C . CYS B 2 194 ? 42.652 -45.833 -45.745 1.00 90.41 ? 194 CYS L C 1 ATOM 3300 O O . CYS B 2 194 ? 42.559 -46.972 -45.272 1.00 90.27 ? 194 CYS L O 1 ATOM 3301 C CB . CYS B 2 194 ? 40.415 -45.388 -46.857 1.00 86.15 ? 194 CYS L CB 1 ATOM 3302 S SG . CYS B 2 194 ? 39.743 -46.466 -45.546 1.00 87.85 ? 194 CYS L SG 1 ATOM 3303 N N . LYS B 2 195 ? 43.372 -44.860 -45.200 1.00 91.72 ? 195 LYS L N 1 ATOM 3304 C CA . LYS B 2 195 ? 44.129 -45.026 -43.961 1.00 93.17 ? 195 LYS L CA 1 ATOM 3305 C C . LYS B 2 195 ? 43.384 -44.387 -42.811 1.00 90.94 ? 195 LYS L C 1 ATOM 3306 O O . LYS B 2 195 ? 43.310 -43.166 -42.717 1.00 91.65 ? 195 LYS L O 1 ATOM 3307 C CB . LYS B 2 195 ? 45.511 -44.378 -44.069 1.00 97.46 ? 195 LYS L CB 1 ATOM 3308 C CG . LYS B 2 195 ? 46.614 -45.293 -44.559 1.00 102.44 ? 195 LYS L CG 1 ATOM 3309 C CD . LYS B 2 195 ? 47.951 -44.543 -44.597 1.00 109.24 ? 195 LYS L CD 1 ATOM 3310 C CE . LYS B 2 195 ? 49.146 -45.481 -44.467 1.00 114.78 ? 195 LYS L CE 1 ATOM 3311 N NZ . LYS B 2 195 ? 50.453 -44.756 -44.487 1.00 120.07 ? 195 LYS L NZ 1 ATOM 3312 N N . VAL B 2 196 ? 42.845 -45.222 -41.934 1.00 89.16 ? 196 VAL L N 1 ATOM 3313 C CA . VAL B 2 196 ? 42.133 -44.747 -40.747 1.00 87.38 ? 196 VAL L CA 1 ATOM 3314 C C . VAL B 2 196 ? 43.065 -44.739 -39.554 1.00 89.95 ? 196 VAL L C 1 ATOM 3315 O O . VAL B 2 196 ? 43.804 -45.694 -39.315 1.00 91.74 ? 196 VAL L O 1 ATOM 3316 C CB . VAL B 2 196 ? 40.904 -45.617 -40.426 1.00 85.18 ? 196 VAL L CB 1 ATOM 3317 C CG1 . VAL B 2 196 ? 40.247 -45.151 -39.133 1.00 83.72 ? 196 VAL L CG1 1 ATOM 3318 C CG2 . VAL B 2 196 ? 39.916 -45.579 -41.578 1.00 81.90 ? 196 VAL L CG2 1 ATOM 3319 N N . THR B 2 197 ? 43.018 -43.639 -38.815 1.00 90.60 ? 197 THR L N 1 ATOM 3320 C CA . THR B 2 197 ? 43.894 -43.439 -37.665 1.00 93.40 ? 197 THR L CA 1 ATOM 3321 C C . THR B 2 197 ? 43.130 -43.133 -36.391 1.00 92.60 ? 197 THR L C 1 ATOM 3322 O O . THR B 2 197 ? 42.464 -42.104 -36.263 1.00 91.60 ? 197 THR L O 1 ATOM 3323 C CB . THR B 2 197 ? 44.902 -42.316 -37.929 1.00 96.43 ? 197 THR L CB 1 ATOM 3324 O OG1 . THR B 2 197 ? 45.935 -42.801 -38.796 1.00 98.14 ? 197 THR L OG1 1 ATOM 3325 C CG2 . THR B 2 197 ? 45.520 -41.836 -36.625 1.00 100.00 ? 197 THR L CG2 1 ATOM 3326 N N . HIS B 2 198 ? 43.239 -44.072 -35.461 1.00 93.40 ? 198 HIS L N 1 ATOM 3327 C CA . HIS B 2 198 ? 42.638 -43.954 -34.133 1.00 93.84 ? 198 HIS L CA 1 ATOM 3328 C C . HIS B 2 198 ? 43.619 -44.434 -33.081 1.00 97.90 ? 198 HIS L C 1 ATOM 3329 O O . HIS B 2 198 ? 43.881 -45.631 -32.952 1.00 98.92 ? 198 HIS L O 1 ATOM 3330 C CB . HIS B 2 198 ? 41.340 -44.759 -34.056 1.00 91.06 ? 198 HIS L CB 1 ATOM 3331 C CG . HIS B 2 198 ? 40.776 -44.877 -32.673 1.00 91.48 ? 198 HIS L CG 1 ATOM 3332 N ND1 . HIS B 2 198 ? 41.101 -45.913 -31.824 1.00 93.41 ? 198 HIS L ND1 1 ATOM 3333 C CD2 . HIS B 2 198 ? 39.902 -44.095 -31.995 1.00 89.73 ? 198 HIS L CD2 1 ATOM 3334 C CE1 . HIS B 2 198 ? 40.453 -45.764 -30.683 1.00 93.06 ? 198 HIS L CE1 1 ATOM 3335 N NE2 . HIS B 2 198 ? 39.719 -44.668 -30.760 1.00 89.92 ? 198 HIS L NE2 1 ATOM 3336 N N . GLY B 2 199 ? 44.155 -43.478 -32.339 1.00 100.91 ? 199 GLY L N 1 ATOM 3337 C CA . GLY B 2 199 ? 45.253 -43.742 -31.424 1.00 105.74 ? 199 GLY L CA 1 ATOM 3338 C C . GLY B 2 199 ? 46.545 -43.849 -32.197 1.00 109.11 ? 199 GLY L C 1 ATOM 3339 O O . GLY B 2 199 ? 46.712 -43.226 -33.245 1.00 108.48 ? 199 GLY L O 1 ATOM 3340 N N . GLY B 2 200 ? 47.460 -44.650 -31.669 1.00 113.55 ? 200 GLY L N 1 ATOM 3341 C CA . GLY B 2 200 ? 48.759 -44.870 -32.305 1.00 117.64 ? 200 GLY L CA 1 ATOM 3342 C C . GLY B 2 200 ? 48.659 -45.968 -33.340 1.00 116.75 ? 200 GLY L C 1 ATOM 3343 O O . GLY B 2 200 ? 49.612 -46.711 -33.585 1.00 119.98 ? 200 GLY L O 1 ATOM 3344 N N . ASN B 2 201 ? 47.484 -46.049 -33.949 1.00 112.98 ? 203 ASN L N 1 ATOM 3345 C CA . ASN B 2 201 ? 47.154 -47.127 -34.875 1.00 111.70 ? 203 ASN L CA 1 ATOM 3346 C C . ASN B 2 201 ? 46.801 -46.601 -36.250 1.00 108.92 ? 203 ASN L C 1 ATOM 3347 O O . ASN B 2 201 ? 46.174 -45.550 -36.389 1.00 106.64 ? 203 ASN L O 1 ATOM 3348 C CB . ASN B 2 201 ? 45.978 -47.938 -34.330 1.00 109.74 ? 203 ASN L CB 1 ATOM 3349 C CG . ASN B 2 201 ? 46.023 -48.091 -32.820 1.00 112.68 ? 203 ASN L CG 1 ATOM 3350 O OD1 . ASN B 2 201 ? 47.048 -48.470 -32.250 1.00 116.42 ? 203 ASN L OD1 1 ATOM 3351 N ND2 . ASN B 2 201 ? 44.906 -47.792 -32.164 1.00 111.42 ? 203 ASN L ND2 1 ATOM 3352 N N . THR B 2 202 ? 47.205 -47.356 -37.261 1.00 109.54 ? 204 THR L N 1 ATOM 3353 C CA . THR B 2 202 ? 46.909 -47.005 -38.645 1.00 107.50 ? 204 THR L CA 1 ATOM 3354 C C . THR B 2 202 ? 46.378 -48.195 -39.420 1.00 106.34 ? 204 THR L C 1 ATOM 3355 O O . THR B 2 202 ? 47.125 -48.925 -40.068 1.00 109.15 ? 204 THR L O 1 ATOM 3356 C CB . THR B 2 202 ? 48.154 -46.456 -39.356 1.00 110.73 ? 204 THR L CB 1 ATOM 3357 O OG1 . THR B 2 202 ? 48.775 -45.465 -38.530 1.00 113.53 ? 204 THR L OG1 1 ATOM 3358 C CG2 . THR B 2 202 ? 47.780 -45.840 -40.692 1.00 108.41 ? 204 THR L CG2 1 ATOM 3359 N N . VAL B 2 203 ? 45.068 -48.373 -39.337 1.00 103.06 ? 205 VAL L N 1 ATOM 3360 C CA . VAL B 2 203 ? 44.374 -49.406 -40.103 1.00 101.93 ? 205 VAL L CA 1 ATOM 3361 C C . VAL B 2 203 ? 44.278 -48.976 -41.556 1.00 101.04 ? 205 VAL L C 1 ATOM 3362 O O . VAL B 2 203 ? 43.913 -47.842 -41.868 1.00 99.22 ? 205 VAL L O 1 ATOM 3363 C CB . VAL B 2 203 ? 42.956 -49.692 -39.543 1.00 99.09 ? 205 VAL L CB 1 ATOM 3364 C CG1 . VAL B 2 203 ? 42.148 -50.523 -40.521 1.00 98.60 ? 205 VAL L CG1 1 ATOM 3365 C CG2 . VAL B 2 203 ? 43.050 -50.390 -38.197 1.00 100.94 ? 205 VAL L CG2 1 ATOM 3366 N N . GLU B 2 204 ? 44.630 -49.899 -42.438 1.00 103.12 ? 206 GLU L N 1 ATOM 3367 C CA . GLU B 2 204 ? 44.561 -49.663 -43.878 1.00 103.12 ? 206 GLU L CA 1 ATOM 3368 C C . GLU B 2 204 ? 43.812 -50.784 -44.574 1.00 102.99 ? 206 GLU L C 1 ATOM 3369 O O . GLU B 2 204 ? 43.968 -51.959 -44.237 1.00 104.97 ? 206 GLU L O 1 ATOM 3370 C CB . GLU B 2 204 ? 45.968 -49.562 -44.467 1.00 107.04 ? 206 GLU L CB 1 ATOM 3371 C CG . GLU B 2 204 ? 46.997 -48.961 -43.527 1.00 110.34 ? 206 GLU L CG 1 ATOM 3372 C CD . GLU B 2 204 ? 48.325 -48.706 -44.214 1.00 115.34 ? 206 GLU L CD 1 ATOM 3373 O OE1 . GLU B 2 204 ? 48.359 -48.734 -45.463 1.00 116.09 ? 206 GLU L OE1 1 ATOM 3374 O OE2 . GLU B 2 204 ? 49.331 -48.473 -43.508 1.00 118.73 ? 206 GLU L OE2 1 ATOM 3375 N N . LYS B 2 205 ? 43.000 -50.403 -45.550 1.00 101.12 ? 207 LYS L N 1 ATOM 3376 C CA . LYS B 2 205 ? 42.262 -51.371 -46.354 1.00 101.53 ? 207 LYS L CA 1 ATOM 3377 C C . LYS B 2 205 ? 42.403 -51.111 -47.847 1.00 102.42 ? 207 LYS L C 1 ATOM 3378 O O . LYS B 2 205 ? 42.220 -49.994 -48.332 1.00 100.49 ? 207 LYS L O 1 ATOM 3379 C CB . LYS B 2 205 ? 40.794 -51.416 -45.928 1.00 98.75 ? 207 LYS L CB 1 ATOM 3380 C CG . LYS B 2 205 ? 40.632 -51.770 -44.454 1.00 99.29 ? 207 LYS L CG 1 ATOM 3381 C CD . LYS B 2 205 ? 39.507 -52.760 -44.208 1.00 99.96 ? 207 LYS L CD 1 ATOM 3382 C CE . LYS B 2 205 ? 39.706 -53.483 -42.883 1.00 102.71 ? 207 LYS L CE 1 ATOM 3383 N NZ . LYS B 2 205 ? 38.658 -54.513 -42.636 1.00 105.61 ? 207 LYS L NZ 1 ATOM 3384 N N . SER B 2 206 ? 42.737 -52.182 -48.555 1.00 105.99 ? 208 SER L N 1 ATOM 3385 C CA . SER B 2 206 ? 43.098 -52.124 -49.972 1.00 108.12 ? 208 SER L CA 1 ATOM 3386 C C . SER B 2 206 ? 41.900 -52.200 -50.895 1.00 106.49 ? 208 SER L C 1 ATOM 3387 O O . SER B 2 206 ? 40.840 -52.717 -50.542 1.00 104.52 ? 208 SER L O 1 ATOM 3388 C CB . SER B 2 206 ? 44.065 -53.263 -50.316 1.00 112.94 ? 208 SER L CB 1 ATOM 3389 O OG . SER B 2 206 ? 45.041 -53.420 -49.301 1.00 115.56 ? 208 SER L OG 1 ATOM 3390 N N . LEU B 2 207 ? 42.103 -51.665 -52.090 1.00 107.76 ? 209 LEU L N 1 ATOM 3391 C CA . LEU B 2 207 ? 41.119 -51.761 -53.167 1.00 107.54 ? 209 LEU L CA 1 ATOM 3392 C C . LEU B 2 207 ? 41.755 -51.717 -54.554 1.00 111.23 ? 209 LEU L C 1 ATOM 3393 O O . LEU B 2 207 ? 42.536 -50.822 -54.875 1.00 112.26 ? 209 LEU L O 1 ATOM 3394 C CB . LEU B 2 207 ? 40.083 -50.648 -53.040 1.00 103.56 ? 209 LEU L CB 1 ATOM 3395 C CG . LEU B 2 207 ? 38.761 -50.947 -53.743 1.00 102.64 ? 209 LEU L CG 1 ATOM 3396 C CD1 . LEU B 2 207 ? 38.049 -52.109 -53.059 1.00 103.89 ? 209 LEU L CD1 1 ATOM 3397 C CD2 . LEU B 2 207 ? 37.872 -49.719 -53.766 1.00 99.84 ? 209 LEU L CD2 1 ATOM 3398 N N . SER B 2 208 ? 41.414 -52.711 -55.361 1.00 114.17 ? 210 SER L N 1 ATOM 3399 C CA . SER B 2 208 ? 41.845 -52.764 -56.756 1.00 117.67 ? 210 SER L CA 1 ATOM 3400 C C . SER B 2 208 ? 40.641 -52.898 -57.681 1.00 117.67 ? 210 SER L C 1 ATOM 3401 O O . SER B 2 208 ? 39.499 -52.939 -57.217 1.00 115.17 ? 210 SER L O 1 ATOM 3402 C CB . SER B 2 208 ? 42.794 -53.936 -56.979 1.00 122.31 ? 210 SER L CB 1 ATOM 3403 O OG . SER B 2 208 ? 43.836 -53.934 -56.019 1.00 122.65 ? 210 SER L OG 1 ATOM 3404 N N . PRO B 2 209 ? 40.895 -52.975 -58.996 1.00 121.00 ? 211 PRO L N 1 ATOM 3405 C CA . PRO B 2 209 ? 39.819 -53.022 -59.979 1.00 121.30 ? 211 PRO L CA 1 ATOM 3406 C C . PRO B 2 209 ? 38.725 -53.979 -59.549 1.00 121.17 ? 211 PRO L C 1 ATOM 3407 O O . PRO B 2 209 ? 38.989 -55.140 -59.243 1.00 123.66 ? 211 PRO L O 1 ATOM 3408 C CB . PRO B 2 209 ? 40.523 -53.512 -61.246 1.00 125.96 ? 211 PRO L CB 1 ATOM 3409 C CG . PRO B 2 209 ? 41.934 -53.045 -61.090 1.00 127.40 ? 211 PRO L CG 1 ATOM 3410 C CD . PRO B 2 209 ? 42.225 -53.113 -59.616 1.00 125.10 ? 211 PRO L CD 1 ATOM 3411 N N . SER B 2 210 ? 37.507 -53.455 -59.499 1.00 118.94 ? 212 SER L N 1 ATOM 3412 C CA . SER B 2 210 ? 36.341 -54.211 -59.022 1.00 118.81 ? 212 SER L CA 1 ATOM 3413 C C . SER B 2 210 ? 35.072 -53.346 -58.960 1.00 116.05 ? 212 SER L C 1 ATOM 3414 O O . SER B 2 210 ? 34.058 -53.735 -58.374 1.00 115.50 ? 212 SER L O 1 ATOM 3415 C CB . SER B 2 210 ? 36.632 -54.811 -57.641 1.00 118.42 ? 212 SER L CB 1 ATOM 3416 O OG . SER B 2 210 ? 36.915 -53.797 -56.690 1.00 114.06 ? 212 SER L OG 1 ATOM 3417 N N . GLN C 3 1 ? -0.739 -48.363 -27.082 1.00 95.45 ? 1 GLN H N 1 ATOM 3418 C CA . GLN C 3 1 ? 0.209 -47.738 -28.052 1.00 92.15 ? 1 GLN H CA 1 ATOM 3419 C C . GLN C 3 1 ? -0.126 -46.259 -28.260 1.00 86.30 ? 1 GLN H C 1 ATOM 3420 O O . GLN C 3 1 ? -0.548 -45.840 -29.341 1.00 85.97 ? 1 GLN H O 1 ATOM 3421 C CB . GLN C 3 1 ? 0.181 -48.506 -29.379 1.00 96.82 ? 1 GLN H CB 1 ATOM 3422 C CG . GLN C 3 1 ? 1.360 -48.228 -30.300 1.00 97.66 ? 1 GLN H CG 1 ATOM 3423 C CD . GLN C 3 1 ? 1.304 -49.045 -31.586 1.00 105.75 ? 1 GLN H CD 1 ATOM 3424 O OE1 . GLN C 3 1 ? 0.427 -49.891 -31.758 1.00 111.59 ? 1 GLN H OE1 1 ATOM 3425 N NE2 . GLN C 3 1 ? 2.241 -48.789 -32.496 1.00 106.36 ? 1 GLN H NE2 1 ATOM 3426 N N . VAL C 3 2 ? 0.065 -45.485 -27.197 1.00 81.63 ? 2 VAL H N 1 ATOM 3427 C CA . VAL C 3 2 ? -0.154 -44.031 -27.227 1.00 76.71 ? 2 VAL H CA 1 ATOM 3428 C C . VAL C 3 2 ? 0.994 -43.328 -27.929 1.00 73.67 ? 2 VAL H C 1 ATOM 3429 O O . VAL C 3 2 ? 2.140 -43.363 -27.483 1.00 71.87 ? 2 VAL H O 1 ATOM 3430 C CB . VAL C 3 2 ? -0.324 -43.430 -25.814 1.00 73.76 ? 2 VAL H CB 1 ATOM 3431 C CG1 . VAL C 3 2 ? -0.203 -41.910 -25.854 1.00 68.09 ? 2 VAL H CG1 1 ATOM 3432 C CG2 . VAL C 3 2 ? -1.653 -43.847 -25.241 1.00 76.05 ? 2 VAL H CG2 1 ATOM 3433 N N . GLN C 3 3 ? 0.661 -42.682 -29.037 1.00 73.08 ? 3 GLN H N 1 ATOM 3434 C CA . GLN C 3 3 ? 1.661 -42.087 -29.911 1.00 70.94 ? 3 GLN H CA 1 ATOM 3435 C C . GLN C 3 3 ? 1.289 -40.713 -30.424 1.00 68.00 ? 3 GLN H C 1 ATOM 3436 O O . GLN C 3 3 ? 0.130 -40.408 -30.704 1.00 68.94 ? 3 GLN H O 1 ATOM 3437 C CB . GLN C 3 3 ? 1.921 -43.003 -31.110 1.00 74.75 ? 3 GLN H CB 1 ATOM 3438 C CG . GLN C 3 3 ? 2.626 -44.297 -30.751 1.00 79.48 ? 3 GLN H CG 1 ATOM 3439 C CD . GLN C 3 3 ? 3.222 -44.999 -31.956 1.00 84.69 ? 3 GLN H CD 1 ATOM 3440 O OE1 . GLN C 3 3 ? 3.171 -46.229 -32.060 1.00 88.14 ? 3 GLN H OE1 1 ATOM 3441 N NE2 . GLN C 3 3 ? 3.795 -44.219 -32.875 1.00 80.91 ? 3 GLN H NE2 1 ATOM 3442 N N . LEU C 3 4 ? 2.318 -39.892 -30.536 1.00 64.71 ? 4 LEU H N 1 ATOM 3443 C CA . LEU C 3 4 ? 2.231 -38.649 -31.274 1.00 63.30 ? 4 LEU H CA 1 ATOM 3444 C C . LEU C 3 4 ? 3.214 -38.714 -32.427 1.00 64.19 ? 4 LEU H C 1 ATOM 3445 O O . LEU C 3 4 ? 4.386 -39.052 -32.247 1.00 64.05 ? 4 LEU H O 1 ATOM 3446 C CB . LEU C 3 4 ? 2.546 -37.448 -30.383 1.00 59.95 ? 4 LEU H CB 1 ATOM 3447 C CG . LEU C 3 4 ? 1.686 -37.242 -29.134 1.00 58.94 ? 4 LEU H CG 1 ATOM 3448 C CD1 . LEU C 3 4 ? 1.909 -35.856 -28.555 1.00 54.81 ? 4 LEU H CD1 1 ATOM 3449 C CD2 . LEU C 3 4 ? 0.217 -37.447 -29.445 1.00 61.17 ? 4 LEU H CD2 1 ATOM 3450 N N . LYS C 3 5 ? 2.719 -38.412 -33.619 1.00 66.00 ? 5 LYS H N 1 ATOM 3451 C CA . LYS C 3 5 ? 3.567 -38.371 -34.804 1.00 67.30 ? 5 LYS H CA 1 ATOM 3452 C C . LYS C 3 5 ? 3.295 -37.131 -35.632 1.00 67.17 ? 5 LYS H C 1 ATOM 3453 O O . LYS C 3 5 ? 2.169 -36.895 -36.068 1.00 68.86 ? 5 LYS H O 1 ATOM 3454 C CB . LYS C 3 5 ? 3.363 -39.622 -35.657 1.00 71.35 ? 5 LYS H CB 1 ATOM 3455 C CG . LYS C 3 5 ? 4.383 -39.764 -36.780 1.00 73.94 ? 5 LYS H CG 1 ATOM 3456 C CD . LYS C 3 5 ? 4.188 -41.057 -37.566 1.00 80.60 ? 5 LYS H CD 1 ATOM 3457 C CE . LYS C 3 5 ? 5.135 -41.137 -38.762 1.00 82.41 ? 5 LYS H CE 1 ATOM 3458 N NZ . LYS C 3 5 ? 4.753 -42.209 -39.729 1.00 87.33 ? 5 LYS H NZ 1 ATOM 3459 N N . GLU C 3 6 ? 4.347 -36.350 -35.843 1.00 66.09 ? 6 GLU H N 1 ATOM 3460 C CA . GLU C 3 6 ? 4.246 -35.123 -36.646 1.00 66.52 ? 6 GLU H CA 1 ATOM 3461 C C . GLU C 3 6 ? 4.569 -35.363 -38.109 1.00 68.92 ? 6 GLU H C 1 ATOM 3462 O O . GLU C 3 6 ? 5.166 -36.367 -38.497 1.00 69.88 ? 6 GLU H O 1 ATOM 3463 C CB . GLU C 3 6 ? 5.088 -33.960 -36.091 1.00 64.22 ? 6 GLU H CB 1 ATOM 3464 C CG . GLU C 3 6 ? 6.440 -34.313 -35.482 1.00 65.08 ? 6 GLU H CG 1 ATOM 3465 C CD . GLU C 3 6 ? 6.386 -34.405 -33.963 1.00 65.65 ? 6 GLU H CD 1 ATOM 3466 O OE1 . GLU C 3 6 ? 5.891 -33.454 -33.322 1.00 66.48 ? 6 GLU H OE1 1 ATOM 3467 O OE2 . GLU C 3 6 ? 6.845 -35.421 -33.401 1.00 66.38 ? 6 GLU H OE2 1 ATOM 3468 N N . SER C 3 7 ? 4.139 -34.399 -38.902 1.00 70.15 ? 7 SER H N 1 ATOM 3469 C CA . SER C 3 7 ? 4.147 -34.516 -40.357 1.00 73.87 ? 7 SER H CA 1 ATOM 3470 C C . SER C 3 7 ? 4.025 -33.170 -41.051 1.00 74.08 ? 7 SER H C 1 ATOM 3471 O O . SER C 3 7 ? 3.373 -32.253 -40.551 1.00 73.35 ? 7 SER H O 1 ATOM 3472 C CB . SER C 3 7 ? 2.991 -35.418 -40.798 1.00 77.92 ? 7 SER H CB 1 ATOM 3473 O OG . SER C 3 7 ? 2.578 -35.126 -42.123 1.00 83.01 ? 7 SER H OG 1 ATOM 3474 N N . GLY C 3 8 ? 4.658 -33.072 -42.212 1.00 75.78 ? 8 GLY H N 1 ATOM 3475 C CA . GLY C 3 8 ? 4.591 -31.856 -43.021 1.00 76.90 ? 8 GLY H CA 1 ATOM 3476 C C . GLY C 3 8 ? 5.757 -31.676 -43.973 1.00 78.08 ? 8 GLY H C 1 ATOM 3477 O O . GLY C 3 8 ? 6.528 -32.605 -44.198 1.00 79.05 ? 8 GLY H O 1 ATOM 3478 N N . PRO C 3 9 ? 5.892 -30.470 -44.543 1.00 78.75 ? 9 PRO H N 1 ATOM 3479 C CA . PRO C 3 9 ? 6.985 -30.212 -45.469 1.00 79.97 ? 9 PRO H CA 1 ATOM 3480 C C . PRO C 3 9 ? 8.309 -30.072 -44.752 1.00 77.64 ? 9 PRO H C 1 ATOM 3481 O O . PRO C 3 9 ? 8.383 -29.510 -43.657 1.00 75.10 ? 9 PRO H O 1 ATOM 3482 C CB . PRO C 3 9 ? 6.581 -28.895 -46.128 1.00 81.51 ? 9 PRO H CB 1 ATOM 3483 C CG . PRO C 3 9 ? 5.746 -28.207 -45.104 1.00 80.09 ? 9 PRO H CG 1 ATOM 3484 C CD . PRO C 3 9 ? 5.057 -29.278 -44.316 1.00 78.67 ? 9 PRO H CD 1 ATOM 3485 N N . GLY C 3 10 ? 9.345 -30.593 -45.392 1.00 78.92 ? 10 GLY H N 1 ATOM 3486 C CA . GLY C 3 10 ? 10.686 -30.607 -44.818 1.00 77.53 ? 10 GLY H CA 1 ATOM 3487 C C . GLY C 3 10 ? 11.480 -29.403 -45.261 1.00 78.07 ? 10 GLY H C 1 ATOM 3488 O O . GLY C 3 10 ? 12.431 -28.983 -44.599 1.00 77.13 ? 10 GLY H O 1 ATOM 3489 N N . LEU C 3 11 ? 11.072 -28.850 -46.393 1.00 80.30 ? 11 LEU H N 1 ATOM 3490 C CA . LEU C 3 11 ? 11.756 -27.698 -46.979 1.00 81.70 ? 11 LEU H CA 1 ATOM 3491 C C . LEU C 3 11 ? 10.791 -26.589 -47.356 1.00 82.43 ? 11 LEU H C 1 ATOM 3492 O O . LEU C 3 11 ? 9.715 -26.828 -47.904 1.00 84.45 ? 11 LEU H O 1 ATOM 3493 C CB . LEU C 3 11 ? 12.564 -28.113 -48.210 1.00 84.69 ? 11 LEU H CB 1 ATOM 3494 C CG . LEU C 3 11 ? 13.472 -27.010 -48.759 1.00 86.91 ? 11 LEU H CG 1 ATOM 3495 C CD1 . LEU C 3 11 ? 14.494 -26.608 -47.706 1.00 84.52 ? 11 LEU H CD1 1 ATOM 3496 C CD2 . LEU C 3 11 ? 14.160 -27.450 -50.037 1.00 91.88 ? 11 LEU H CD2 1 ATOM 3497 N N . LEU C 3 12 ? 11.209 -25.371 -47.050 1.00 81.73 ? 12 LEU H N 1 ATOM 3498 C CA . LEU C 3 12 ? 10.435 -24.175 -47.367 1.00 82.89 ? 12 LEU H CA 1 ATOM 3499 C C . LEU C 3 12 ? 11.329 -22.985 -47.678 1.00 84.55 ? 12 LEU H C 1 ATOM 3500 O O . LEU C 3 12 ? 12.436 -22.862 -47.150 1.00 83.49 ? 12 LEU H O 1 ATOM 3501 C CB . LEU C 3 12 ? 9.506 -23.822 -46.203 1.00 80.59 ? 12 LEU H CB 1 ATOM 3502 C CG . LEU C 3 12 ? 8.392 -24.826 -45.908 1.00 78.61 ? 12 LEU H CG 1 ATOM 3503 C CD1 . LEU C 3 12 ? 7.587 -24.379 -44.700 1.00 77.65 ? 12 LEU H CD1 1 ATOM 3504 C CD2 . LEU C 3 12 ? 7.489 -25.008 -47.120 1.00 80.04 ? 12 LEU H CD2 1 ATOM 3505 N N . GLN C 3 13 ? 10.828 -22.121 -48.553 1.00 87.16 ? 13 GLN H N 1 ATOM 3506 C CA . GLN C 3 13 ? 11.471 -20.829 -48.830 1.00 89.19 ? 13 GLN H CA 1 ATOM 3507 C C . GLN C 3 13 ? 11.002 -19.813 -47.793 1.00 87.79 ? 13 GLN H C 1 ATOM 3508 O O . GLN C 3 13 ? 9.957 -19.995 -47.176 1.00 85.68 ? 13 GLN H O 1 ATOM 3509 C CB . GLN C 3 13 ? 11.166 -20.313 -50.247 1.00 93.96 ? 13 GLN H CB 1 ATOM 3510 C CG . GLN C 3 13 ? 12.123 -20.825 -51.319 1.00 97.57 ? 13 GLN H CG 1 ATOM 3511 C CD . GLN C 3 13 ? 12.119 -22.337 -51.444 1.00 96.84 ? 13 GLN H CD 1 ATOM 3512 O OE1 . GLN C 3 13 ? 11.067 -22.975 -51.391 1.00 95.27 ? 13 GLN H OE1 1 ATOM 3513 N NE2 . GLN C 3 13 ? 13.303 -22.918 -51.616 1.00 97.70 ? 13 GLN H NE2 1 ATOM 3514 N N . PRO C 3 14 ? 11.787 -18.749 -47.578 1.00 88.73 ? 14 PRO H N 1 ATOM 3515 C CA . PRO C 3 14 ? 11.356 -17.698 -46.661 1.00 89.16 ? 14 PRO H CA 1 ATOM 3516 C C . PRO C 3 14 ? 10.043 -17.047 -47.059 1.00 91.65 ? 14 PRO H C 1 ATOM 3517 O O . PRO C 3 14 ? 9.572 -17.192 -48.186 1.00 93.69 ? 14 PRO H O 1 ATOM 3518 C CB . PRO C 3 14 ? 12.501 -16.685 -46.729 1.00 91.81 ? 14 PRO H CB 1 ATOM 3519 C CG . PRO C 3 14 ? 13.687 -17.491 -47.088 1.00 90.59 ? 14 PRO H CG 1 ATOM 3520 C CD . PRO C 3 14 ? 13.184 -18.566 -48.005 1.00 90.07 ? 14 PRO H CD 1 ATOM 3521 N N . SER C 3 15 ? 9.472 -16.346 -46.090 1.00 91.84 ? 15 SER H N 1 ATOM 3522 C CA . SER C 3 15 ? 8.226 -15.592 -46.244 1.00 95.05 ? 15 SER H CA 1 ATOM 3523 C C . SER C 3 15 ? 7.048 -16.487 -46.596 1.00 93.95 ? 15 SER H C 1 ATOM 3524 O O . SER C 3 15 ? 5.925 -16.014 -46.767 1.00 96.85 ? 15 SER H O 1 ATOM 3525 C CB . SER C 3 15 ? 8.372 -14.468 -47.273 1.00 100.68 ? 15 SER H CB 1 ATOM 3526 O OG . SER C 3 15 ? 8.785 -14.965 -48.532 1.00 102.27 ? 15 SER H OG 1 ATOM 3527 N N . GLN C 3 16 ? 7.321 -17.783 -46.697 1.00 90.37 ? 16 GLN H N 1 ATOM 3528 C CA . GLN C 3 16 ? 6.256 -18.780 -46.836 1.00 89.22 ? 16 GLN H CA 1 ATOM 3529 C C . GLN C 3 16 ? 5.599 -18.987 -45.483 1.00 86.87 ? 16 GLN H C 1 ATOM 3530 O O . GLN C 3 16 ? 5.920 -18.309 -44.501 1.00 86.17 ? 16 GLN H O 1 ATOM 3531 C CB . GLN C 3 16 ? 6.777 -20.123 -47.363 1.00 86.82 ? 16 GLN H CB 1 ATOM 3532 C CG . GLN C 3 16 ? 7.221 -20.094 -48.814 1.00 90.52 ? 16 GLN H CG 1 ATOM 3533 C CD . GLN C 3 16 ? 7.383 -21.488 -49.407 1.00 90.10 ? 16 GLN H CD 1 ATOM 3534 O OE1 . GLN C 3 16 ? 8.481 -21.891 -49.792 1.00 89.65 ? 16 GLN H OE1 1 ATOM 3535 N NE2 . GLN C 3 16 ? 6.288 -22.232 -49.476 1.00 91.65 ? 16 GLN H NE2 1 ATOM 3536 N N . THR C 3 17 ? 4.687 -19.950 -45.444 1.00 85.93 ? 17 THR H N 1 ATOM 3537 C CA . THR C 3 17 ? 3.961 -20.284 -44.224 1.00 83.87 ? 17 THR H CA 1 ATOM 3538 C C . THR C 3 17 ? 4.029 -21.767 -43.909 1.00 80.13 ? 17 THR H C 1 ATOM 3539 O O . THR C 3 17 ? 3.571 -22.609 -44.677 1.00 81.03 ? 17 THR H O 1 ATOM 3540 C CB . THR C 3 17 ? 2.483 -19.870 -44.327 1.00 87.35 ? 17 THR H CB 1 ATOM 3541 O OG1 . THR C 3 17 ? 2.379 -18.443 -44.246 1.00 91.56 ? 17 THR H OG1 1 ATOM 3542 C CG2 . THR C 3 17 ? 1.669 -20.501 -43.207 1.00 85.50 ? 17 THR H CG2 1 ATOM 3543 N N . LEU C 3 18 ? 4.603 -22.068 -42.755 1.00 76.76 ? 18 LEU H N 1 ATOM 3544 C CA . LEU C 3 18 ? 4.711 -23.451 -42.286 1.00 73.94 ? 18 LEU H CA 1 ATOM 3545 C C . LEU C 3 18 ? 3.373 -23.915 -41.767 1.00 74.13 ? 18 LEU H C 1 ATOM 3546 O O . LEU C 3 18 ? 2.627 -23.149 -41.167 1.00 76.11 ? 18 LEU H O 1 ATOM 3547 C CB . LEU C 3 18 ? 5.754 -23.580 -41.171 1.00 71.09 ? 18 LEU H CB 1 ATOM 3548 C CG . LEU C 3 18 ? 5.964 -24.961 -40.535 1.00 67.48 ? 18 LEU H CG 1 ATOM 3549 C CD1 . LEU C 3 18 ? 6.481 -25.970 -41.561 1.00 66.66 ? 18 LEU H CD1 1 ATOM 3550 C CD2 . LEU C 3 18 ? 6.919 -24.844 -39.356 1.00 62.05 ? 18 LEU H CD2 1 ATOM 3551 N N . SER C 3 19 ? 3.082 -25.182 -42.009 1.00 73.50 ? 19 SER H N 1 ATOM 3552 C CA . SER C 3 19 ? 1.902 -25.817 -41.424 1.00 73.93 ? 19 SER H CA 1 ATOM 3553 C C . SER C 3 19 ? 2.125 -27.295 -41.146 1.00 71.48 ? 19 SER H C 1 ATOM 3554 O O . SER C 3 19 ? 2.074 -28.134 -42.046 1.00 72.41 ? 19 SER H O 1 ATOM 3555 C CB . SER C 3 19 ? 0.668 -25.607 -42.311 1.00 78.41 ? 19 SER H CB 1 ATOM 3556 O OG . SER C 3 19 ? 0.916 -26.007 -43.646 1.00 82.30 ? 19 SER H OG 1 ATOM 3557 N N . LEU C 3 20 ? 2.373 -27.584 -39.875 1.00 68.69 ? 20 LEU H N 1 ATOM 3558 C CA . LEU C 3 20 ? 2.603 -28.951 -39.409 1.00 67.06 ? 20 LEU H CA 1 ATOM 3559 C C . LEU C 3 20 ? 1.331 -29.569 -38.880 1.00 68.34 ? 20 LEU H C 1 ATOM 3560 O O . LEU C 3 20 ? 0.378 -28.884 -38.512 1.00 69.69 ? 20 LEU H O 1 ATOM 3561 C CB . LEU C 3 20 ? 3.659 -28.991 -38.305 1.00 63.92 ? 20 LEU H CB 1 ATOM 3562 C CG . LEU C 3 20 ? 5.039 -28.507 -38.708 1.00 62.89 ? 20 LEU H CG 1 ATOM 3563 C CD1 . LEU C 3 20 ? 5.914 -28.362 -37.473 1.00 57.23 ? 20 LEU H CD1 1 ATOM 3564 C CD2 . LEU C 3 20 ? 5.640 -29.478 -39.707 1.00 65.27 ? 20 LEU H CD2 1 ATOM 3565 N N . THR C 3 21 ? 1.351 -30.889 -38.847 1.00 68.56 ? 21 THR H N 1 ATOM 3566 C CA . THR C 3 21 ? 0.242 -31.667 -38.320 1.00 69.80 ? 21 THR H CA 1 ATOM 3567 C C . THR C 3 21 ? 0.759 -32.776 -37.418 1.00 68.33 ? 21 THR H C 1 ATOM 3568 O O . THR C 3 21 ? 1.691 -33.502 -37.760 1.00 68.21 ? 21 THR H O 1 ATOM 3569 C CB . THR C 3 21 ? -0.645 -32.256 -39.446 1.00 73.67 ? 21 THR H CB 1 ATOM 3570 O OG1 . THR C 3 21 ? -1.391 -33.367 -38.935 1.00 73.09 ? 21 THR H OG1 1 ATOM 3571 C CG2 . THR C 3 21 ? 0.198 -32.715 -40.633 1.00 75.02 ? 21 THR H CG2 1 ATOM 3572 N N . CYS C 3 22 ? 0.144 -32.865 -36.248 1.00 67.93 ? 22 CYS H N 1 ATOM 3573 C CA . CYS C 3 22 ? 0.496 -33.851 -35.236 1.00 66.69 ? 22 CYS H CA 1 ATOM 3574 C C . CYS C 3 22 ? -0.689 -34.769 -35.014 1.00 68.88 ? 22 CYS H C 1 ATOM 3575 O O . CYS C 3 22 ? -1.775 -34.322 -34.647 1.00 71.00 ? 22 CYS H O 1 ATOM 3576 C CB . CYS C 3 22 ? 0.876 -33.137 -33.934 1.00 63.75 ? 22 CYS H CB 1 ATOM 3577 S SG . CYS C 3 22 ? 1.110 -34.216 -32.490 1.00 66.74 ? 22 CYS H SG 1 ATOM 3578 N N . THR C 3 23 ? -0.472 -36.052 -35.270 1.00 69.57 ? 23 THR H N 1 ATOM 3579 C CA . THR C 3 23 ? -1.519 -37.071 -35.144 1.00 72.25 ? 23 THR H CA 1 ATOM 3580 C C . THR C 3 23 ? -1.384 -37.859 -33.850 1.00 70.64 ? 23 THR H C 1 ATOM 3581 O O . THR C 3 23 ? -0.503 -38.706 -33.697 1.00 69.95 ? 23 THR H O 1 ATOM 3582 C CB . THR C 3 23 ? -1.494 -38.048 -36.340 1.00 76.01 ? 23 THR H CB 1 ATOM 3583 O OG1 . THR C 3 23 ? -1.673 -37.320 -37.561 1.00 76.37 ? 23 THR H OG1 1 ATOM 3584 C CG2 . THR C 3 23 ? -2.594 -39.092 -36.210 1.00 80.17 ? 23 THR H CG2 1 ATOM 3585 N N . VAL C 3 24 ? -2.303 -37.576 -32.937 1.00 70.30 ? 24 VAL H N 1 ATOM 3586 C CA . VAL C 3 24 ? -2.308 -38.176 -31.600 1.00 69.37 ? 24 VAL H CA 1 ATOM 3587 C C . VAL C 3 24 ? -3.132 -39.445 -31.595 1.00 72.80 ? 24 VAL H C 1 ATOM 3588 O O . VAL C 3 24 ? -4.351 -39.395 -31.603 1.00 75.60 ? 24 VAL H O 1 ATOM 3589 C CB . VAL C 3 24 ? -2.914 -37.222 -30.545 1.00 67.76 ? 24 VAL H CB 1 ATOM 3590 C CG1 . VAL C 3 24 ? -2.763 -37.807 -29.155 1.00 67.60 ? 24 VAL H CG1 1 ATOM 3591 C CG2 . VAL C 3 24 ? -2.264 -35.857 -30.618 1.00 65.88 ? 24 VAL H CG2 1 ATOM 3592 N N . SER C 3 25 ? -2.446 -40.577 -31.560 1.00 73.60 ? 25 SER H N 1 ATOM 3593 C CA . SER C 3 25 ? -3.098 -41.883 -31.630 1.00 78.64 ? 25 SER H CA 1 ATOM 3594 C C . SER C 3 25 ? -3.302 -42.487 -30.262 1.00 78.94 ? 25 SER H C 1 ATOM 3595 O O . SER C 3 25 ? -2.583 -42.187 -29.308 1.00 75.10 ? 25 SER H O 1 ATOM 3596 C CB . SER C 3 25 ? -2.277 -42.857 -32.476 1.00 81.11 ? 25 SER H CB 1 ATOM 3597 O OG . SER C 3 25 ? -1.801 -42.230 -33.652 1.00 83.74 ? 25 SER H OG 1 ATOM 3598 N N . GLY C 3 26 ? -4.308 -43.347 -30.197 1.00 83.92 ? 26 GLY H N 1 ATOM 3599 C CA . GLY C 3 26 ? -4.569 -44.171 -29.023 1.00 85.51 ? 26 GLY H CA 1 ATOM 3600 C C . GLY C 3 26 ? -5.334 -43.436 -27.953 1.00 83.73 ? 26 GLY H C 1 ATOM 3601 O O . GLY C 3 26 ? -5.733 -44.019 -26.946 1.00 86.02 ? 26 GLY H O 1 ATOM 3602 N N . ILE C 3 27 ? -5.530 -42.146 -28.175 1.00 80.64 ? 27 ILE H N 1 ATOM 3603 C CA . ILE C 3 27 ? -6.296 -41.325 -27.244 1.00 79.75 ? 27 ILE H CA 1 ATOM 3604 C C . ILE C 3 27 ? -7.130 -40.261 -27.942 1.00 80.91 ? 27 ILE H C 1 ATOM 3605 O O . ILE C 3 27 ? -7.142 -40.146 -29.170 1.00 81.79 ? 27 ILE H O 1 ATOM 3606 C CB . ILE C 3 27 ? -5.384 -40.638 -26.211 1.00 74.74 ? 27 ILE H CB 1 ATOM 3607 C CG1 . ILE C 3 27 ? -4.460 -39.636 -26.905 1.00 70.15 ? 27 ILE H CG1 1 ATOM 3608 C CG2 . ILE C 3 27 ? -4.577 -41.679 -25.449 1.00 74.28 ? 27 ILE H CG2 1 ATOM 3609 C CD1 . ILE C 3 27 ? -3.867 -38.609 -25.974 1.00 65.53 ? 27 ILE H CD1 1 ATOM 3610 N N . SER C 3 28 ? -7.813 -39.481 -27.116 1.00 81.12 ? 28 SER H N 1 ATOM 3611 C CA . SER C 3 28 ? -8.722 -38.443 -27.569 1.00 82.74 ? 28 SER H CA 1 ATOM 3612 C C . SER C 3 28 ? -8.223 -37.084 -27.114 1.00 78.66 ? 28 SER H C 1 ATOM 3613 O O . SER C 3 28 ? -7.682 -36.936 -26.018 1.00 76.51 ? 28 SER H O 1 ATOM 3614 C CB . SER C 3 28 ? -10.120 -38.703 -27.006 1.00 87.07 ? 28 SER H CB 1 ATOM 3615 O OG . SER C 3 28 ? -11.068 -37.803 -27.545 1.00 91.08 ? 28 SER H OG 1 ATOM 3616 N N . LEU C 3 29 ? -8.419 -36.093 -27.973 1.00 78.45 ? 29 LEU H N 1 ATOM 3617 C CA . LEU C 3 29 ? -7.943 -34.727 -27.710 1.00 75.46 ? 29 LEU H CA 1 ATOM 3618 C C . LEU C 3 29 ? -8.873 -33.995 -26.748 1.00 77.30 ? 29 LEU H C 1 ATOM 3619 O O . LEU C 3 29 ? -8.556 -32.918 -26.240 1.00 75.34 ? 29 LEU H O 1 ATOM 3620 C CB . LEU C 3 29 ? -7.813 -33.927 -29.016 1.00 75.62 ? 29 LEU H CB 1 ATOM 3621 C CG . LEU C 3 29 ? -6.820 -34.466 -30.049 1.00 73.00 ? 29 LEU H CG 1 ATOM 3622 C CD1 . LEU C 3 29 ? -6.919 -33.711 -31.367 1.00 73.10 ? 29 LEU H CD1 1 ATOM 3623 C CD2 . LEU C 3 29 ? -5.411 -34.393 -29.501 1.00 70.61 ? 29 LEU H CD2 1 ATOM 3624 N N . SER C 3 30 ? -10.019 -34.609 -26.495 1.00 81.67 ? 30 SER H N 1 ATOM 3625 C CA . SER C 3 30 ? -11.090 -33.969 -25.720 1.00 84.81 ? 30 SER H CA 1 ATOM 3626 C C . SER C 3 30 ? -10.741 -33.838 -24.251 1.00 82.79 ? 30 SER H C 1 ATOM 3627 O O . SER C 3 30 ? -11.423 -33.144 -23.503 1.00 85.55 ? 30 SER H O 1 ATOM 3628 C CB . SER C 3 30 ? -12.405 -34.744 -25.852 1.00 90.16 ? 30 SER H CB 1 ATOM 3629 O OG . SER C 3 30 ? -12.834 -34.788 -27.201 1.00 93.68 ? 30 SER H OG 1 ATOM 3630 N N . ASP C 3 31 ? -9.681 -34.517 -23.839 1.00 79.27 ? 31 ASP H N 1 ATOM 3631 C CA . ASP C 3 31 ? -9.309 -34.528 -22.419 1.00 78.02 ? 31 ASP H CA 1 ATOM 3632 C C . ASP C 3 31 ? -7.807 -34.456 -22.165 1.00 72.72 ? 31 ASP H C 1 ATOM 3633 O O . ASP C 3 31 ? -7.338 -34.684 -21.050 1.00 70.44 ? 31 ASP H O 1 ATOM 3634 C CB . ASP C 3 31 ? -9.939 -35.729 -21.693 1.00 81.34 ? 31 ASP H CB 1 ATOM 3635 C CG . ASP C 3 31 ? -10.086 -36.945 -22.585 1.00 83.78 ? 31 ASP H CG 1 ATOM 3636 O OD1 . ASP C 3 31 ? -9.268 -37.097 -23.516 1.00 83.94 ? 31 ASP H OD1 1 ATOM 3637 O OD2 . ASP C 3 31 ? -11.021 -37.739 -22.355 1.00 86.24 ? 31 ASP H OD2 1 ATOM 3638 N N . TYR C 3 32 ? -7.072 -34.112 -23.212 1.00 71.22 ? 32 TYR H N 1 ATOM 3639 C CA . TYR C 3 32 ? -5.646 -33.787 -23.095 1.00 68.12 ? 32 TYR H CA 1 ATOM 3640 C C . TYR C 3 32 ? -5.265 -32.655 -24.033 1.00 66.09 ? 32 TYR H C 1 ATOM 3641 O O . TYR C 3 32 ? -5.645 -32.638 -25.203 1.00 67.49 ? 32 TYR H O 1 ATOM 3642 C CB . TYR C 3 32 ? -4.761 -35.015 -23.373 1.00 67.35 ? 32 TYR H CB 1 ATOM 3643 C CG . TYR C 3 32 ? -4.967 -36.146 -22.393 1.00 73.24 ? 32 TYR H CG 1 ATOM 3644 C CD1 . TYR C 3 32 ? -4.849 -35.929 -21.026 1.00 77.78 ? 32 TYR H CD1 1 ATOM 3645 C CD2 . TYR C 3 32 ? -5.281 -37.428 -22.830 1.00 79.11 ? 32 TYR H CD2 1 ATOM 3646 C CE1 . TYR C 3 32 ? -5.047 -36.951 -20.118 1.00 82.96 ? 32 TYR H CE1 1 ATOM 3647 C CE2 . TYR C 3 32 ? -5.474 -38.463 -21.930 1.00 85.14 ? 32 TYR H CE2 1 ATOM 3648 C CZ . TYR C 3 32 ? -5.358 -38.218 -20.572 1.00 87.51 ? 32 TYR H CZ 1 ATOM 3649 O OH . TYR C 3 32 ? -5.552 -39.236 -19.657 1.00 92.56 ? 32 TYR H OH 1 ATOM 3650 N N . GLY C 3 33 ? -4.510 -31.710 -23.495 1.00 63.63 ? 33 GLY H N 1 ATOM 3651 C CA . GLY C 3 33 ? -3.937 -30.627 -24.289 1.00 61.89 ? 33 GLY H CA 1 ATOM 3652 C C . GLY C 3 33 ? -2.595 -31.024 -24.855 1.00 57.80 ? 33 GLY H C 1 ATOM 3653 O O . GLY C 3 33 ? -1.837 -31.752 -24.221 1.00 55.55 ? 33 GLY H O 1 ATOM 3654 N N . VAL C 3 34 ? -2.318 -30.540 -26.061 1.00 57.18 ? 34 VAL H N 1 ATOM 3655 C CA . VAL C 3 34 ? -1.084 -30.874 -26.781 1.00 54.55 ? 34 VAL H CA 1 ATOM 3656 C C . VAL C 3 34 ? -0.194 -29.662 -26.965 1.00 53.81 ? 34 VAL H C 1 ATOM 3657 O O . VAL C 3 34 ? -0.656 -28.577 -27.306 1.00 55.77 ? 34 VAL H O 1 ATOM 3658 C CB . VAL C 3 34 ? -1.388 -31.466 -28.176 1.00 54.93 ? 34 VAL H CB 1 ATOM 3659 C CG1 . VAL C 3 34 ? -0.110 -31.727 -28.932 1.00 53.94 ? 34 VAL H CG1 1 ATOM 3660 C CG2 . VAL C 3 34 ? -2.191 -32.744 -28.058 1.00 56.08 ? 34 VAL H CG2 1 ATOM 3661 N N . HIS C 3 35 ? 1.095 -29.869 -26.735 1.00 52.44 ? 35 HIS H N 1 ATOM 3662 C CA . HIS C 3 35 ? 2.103 -28.815 -26.924 1.00 52.49 ? 35 HIS H CA 1 ATOM 3663 C C . HIS C 3 35 ? 2.780 -28.879 -28.276 1.00 52.14 ? 35 HIS H C 1 ATOM 3664 O O . HIS C 3 35 ? 2.817 -29.911 -28.936 1.00 52.51 ? 35 HIS H O 1 ATOM 3665 C CB . HIS C 3 35 ? 3.202 -28.892 -25.860 1.00 51.23 ? 35 HIS H CB 1 ATOM 3666 C CG . HIS C 3 35 ? 2.761 -28.468 -24.498 1.00 53.00 ? 35 HIS H CG 1 ATOM 3667 N ND1 . HIS C 3 35 ? 2.369 -27.180 -24.213 1.00 56.23 ? 35 HIS H ND1 1 ATOM 3668 C CD2 . HIS C 3 35 ? 2.667 -29.158 -23.337 1.00 54.71 ? 35 HIS H CD2 1 ATOM 3669 C CE1 . HIS C 3 35 ? 2.042 -27.097 -22.935 1.00 58.19 ? 35 HIS H CE1 1 ATOM 3670 N NE2 . HIS C 3 35 ? 2.217 -28.282 -22.381 1.00 56.15 ? 35 HIS H NE2 1 ATOM 3671 N N . TRP C 3 36 ? 3.322 -27.735 -28.658 1.00 52.52 ? 36 TRP H N 1 ATOM 3672 C CA . TRP C 3 36 ? 4.259 -27.637 -29.766 1.00 51.78 ? 36 TRP H CA 1 ATOM 3673 C C . TRP C 3 36 ? 5.556 -27.047 -29.238 1.00 51.25 ? 36 TRP H C 1 ATOM 3674 O O . TRP C 3 36 ? 5.575 -25.972 -28.633 1.00 52.57 ? 36 TRP H O 1 ATOM 3675 C CB . TRP C 3 36 ? 3.699 -26.764 -30.889 1.00 53.96 ? 36 TRP H CB 1 ATOM 3676 C CG . TRP C 3 36 ? 2.770 -27.487 -31.801 1.00 53.92 ? 36 TRP H CG 1 ATOM 3677 C CD1 . TRP C 3 36 ? 1.416 -27.363 -31.856 1.00 57.73 ? 36 TRP H CD1 1 ATOM 3678 C CD2 . TRP C 3 36 ? 3.126 -28.449 -32.794 1.00 51.90 ? 36 TRP H CD2 1 ATOM 3679 N NE1 . TRP C 3 36 ? 0.903 -28.192 -32.823 1.00 58.26 ? 36 TRP H NE1 1 ATOM 3680 C CE2 . TRP C 3 36 ? 1.935 -28.872 -33.412 1.00 55.85 ? 36 TRP H CE2 1 ATOM 3681 C CE3 . TRP C 3 36 ? 4.337 -28.995 -33.220 1.00 53.06 ? 36 TRP H CE3 1 ATOM 3682 C CZ2 . TRP C 3 36 ? 1.919 -29.816 -34.437 1.00 56.88 ? 36 TRP H CZ2 1 ATOM 3683 C CZ3 . TRP C 3 36 ? 4.320 -29.933 -34.235 1.00 54.49 ? 36 TRP H CZ3 1 ATOM 3684 C CH2 . TRP C 3 36 ? 3.120 -30.332 -34.833 1.00 56.23 ? 36 TRP H CH2 1 ATOM 3685 N N . VAL C 3 37 ? 6.631 -27.785 -29.453 1.00 49.66 ? 37 VAL H N 1 ATOM 3686 C CA . VAL C 3 37 ? 7.954 -27.385 -28.997 1.00 49.46 ? 37 VAL H CA 1 ATOM 3687 C C . VAL C 3 37 ? 8.967 -27.595 -30.098 1.00 49.67 ? 37 VAL H C 1 ATOM 3688 O O . VAL C 3 37 ? 8.978 -28.636 -30.749 1.00 48.56 ? 37 VAL H O 1 ATOM 3689 C CB . VAL C 3 37 ? 8.394 -28.218 -27.779 1.00 48.86 ? 37 VAL H CB 1 ATOM 3690 C CG1 . VAL C 3 37 ? 9.822 -27.855 -27.363 1.00 50.41 ? 37 VAL H CG1 1 ATOM 3691 C CG2 . VAL C 3 37 ? 7.427 -28.028 -26.625 1.00 48.46 ? 37 VAL H CG2 1 ATOM 3692 N N . ARG C 3 38 ? 9.826 -26.603 -30.287 1.00 51.31 ? 38 ARG H N 1 ATOM 3693 C CA . ARG C 3 38 ? 10.863 -26.686 -31.317 1.00 52.45 ? 38 ARG H CA 1 ATOM 3694 C C . ARG C 3 38 ? 12.258 -26.515 -30.760 1.00 53.59 ? 38 ARG H C 1 ATOM 3695 O O . ARG C 3 38 ? 12.466 -26.002 -29.659 1.00 54.38 ? 38 ARG H O 1 ATOM 3696 C CB . ARG C 3 38 ? 10.631 -25.654 -32.414 1.00 54.11 ? 38 ARG H CB 1 ATOM 3697 C CG . ARG C 3 38 ? 10.836 -24.228 -31.961 1.00 57.75 ? 38 ARG H CG 1 ATOM 3698 C CD . ARG C 3 38 ? 10.916 -23.267 -33.124 1.00 61.60 ? 38 ARG H CD 1 ATOM 3699 N NE . ARG C 3 38 ? 11.065 -21.894 -32.651 1.00 67.27 ? 38 ARG H NE 1 ATOM 3700 C CZ . ARG C 3 38 ? 11.142 -20.832 -33.443 1.00 73.10 ? 38 ARG H CZ 1 ATOM 3701 N NH1 . ARG C 3 38 ? 11.085 -20.971 -34.760 1.00 73.04 ? 38 ARG H NH1 1 ATOM 3702 N NH2 . ARG C 3 38 ? 11.274 -19.624 -32.914 1.00 77.32 ? 38 ARG H NH2 1 ATOM 3703 N N . GLN C 3 39 ? 13.208 -26.957 -31.567 1.00 54.19 ? 39 GLN H N 1 ATOM 3704 C CA . GLN C 3 39 ? 14.614 -26.942 -31.194 1.00 55.85 ? 39 GLN H CA 1 ATOM 3705 C C . GLN C 3 39 ? 15.514 -26.596 -32.369 1.00 58.04 ? 39 GLN H C 1 ATOM 3706 O O . GLN C 3 39 ? 15.744 -27.412 -33.260 1.00 58.26 ? 39 GLN H O 1 ATOM 3707 C CB . GLN C 3 39 ? 15.005 -28.300 -30.620 1.00 55.46 ? 39 GLN H CB 1 ATOM 3708 C CG . GLN C 3 39 ? 16.469 -28.428 -30.267 1.00 58.51 ? 39 GLN H CG 1 ATOM 3709 C CD . GLN C 3 39 ? 16.751 -29.679 -29.463 1.00 59.34 ? 39 GLN H CD 1 ATOM 3710 O OE1 . GLN C 3 39 ? 16.285 -30.761 -29.806 1.00 60.42 ? 39 GLN H OE1 1 ATOM 3711 N NE2 . GLN C 3 39 ? 17.506 -29.535 -28.382 1.00 62.73 ? 39 GLN H NE2 1 ATOM 3712 N N . ALA C 3 40 ? 16.018 -25.368 -32.342 1.00 60.49 ? 40 ALA H N 1 ATOM 3713 C CA . ALA C 3 40 ? 16.930 -24.866 -33.376 1.00 62.76 ? 40 ALA H CA 1 ATOM 3714 C C . ALA C 3 40 ? 18.279 -25.555 -33.249 1.00 64.68 ? 40 ALA H C 1 ATOM 3715 O O . ALA C 3 40 ? 18.719 -25.851 -32.144 1.00 65.38 ? 40 ALA H O 1 ATOM 3716 C CB . ALA C 3 40 ? 17.107 -23.352 -33.269 1.00 65.33 ? 40 ALA H CB 1 ATOM 3717 N N . PRO C 3 41 ? 18.950 -25.797 -34.381 1.00 66.63 ? 41 PRO H N 1 ATOM 3718 C CA . PRO C 3 41 ? 20.167 -26.581 -34.396 1.00 69.16 ? 41 PRO H CA 1 ATOM 3719 C C . PRO C 3 41 ? 21.039 -26.358 -33.174 1.00 72.07 ? 41 PRO H C 1 ATOM 3720 O O . PRO C 3 41 ? 21.258 -27.271 -32.374 1.00 72.49 ? 41 PRO H O 1 ATOM 3721 C CB . PRO C 3 41 ? 20.870 -26.069 -35.645 1.00 71.50 ? 41 PRO H CB 1 ATOM 3722 C CG . PRO C 3 41 ? 19.762 -25.764 -36.575 1.00 69.30 ? 41 PRO H CG 1 ATOM 3723 C CD . PRO C 3 41 ? 18.587 -25.341 -35.734 1.00 66.98 ? 41 PRO H CD 1 ATOM 3724 N N . GLY C 3 42 ? 21.523 -25.135 -33.042 1.00 75.01 ? 42 GLY H N 1 ATOM 3725 C CA . GLY C 3 42 ? 22.490 -24.805 -31.999 1.00 78.47 ? 42 GLY H CA 1 ATOM 3726 C C . GLY C 3 42 ? 21.878 -24.741 -30.617 1.00 76.82 ? 42 GLY H C 1 ATOM 3727 O O . GLY C 3 42 ? 22.458 -25.207 -29.636 1.00 78.02 ? 42 GLY H O 1 ATOM 3728 N N . LYS C 3 43 ? 20.682 -24.179 -30.563 1.00 74.42 ? 43 LYS H N 1 ATOM 3729 C CA . LYS C 3 43 ? 20.045 -23.833 -29.291 1.00 74.16 ? 43 LYS H CA 1 ATOM 3730 C C . LYS C 3 43 ? 19.273 -25.013 -28.721 1.00 69.41 ? 43 LYS H C 1 ATOM 3731 O O . LYS C 3 43 ? 19.331 -26.126 -29.244 1.00 67.62 ? 43 LYS H O 1 ATOM 3732 C CB . LYS C 3 43 ? 19.132 -22.611 -29.461 1.00 75.42 ? 43 LYS H CB 1 ATOM 3733 C CG . LYS C 3 43 ? 19.814 -21.431 -30.182 1.00 81.33 ? 43 LYS H CG 1 ATOM 3734 C CD . LYS C 3 43 ? 18.899 -20.217 -30.303 1.00 85.00 ? 43 LYS H CD 1 ATOM 3735 C CE . LYS C 3 43 ? 18.876 -19.408 -29.011 1.00 89.72 ? 43 LYS H CE 1 ATOM 3736 N NZ . LYS C 3 43 ? 18.008 -18.197 -29.105 1.00 92.40 ? 43 LYS H NZ 1 ATOM 3737 N N . GLY C 3 44 ? 18.554 -24.751 -27.640 1.00 67.54 ? 44 GLY H N 1 ATOM 3738 C CA . GLY C 3 44 ? 17.839 -25.797 -26.905 1.00 64.26 ? 44 GLY H CA 1 ATOM 3739 C C . GLY C 3 44 ? 16.372 -25.886 -27.259 1.00 60.15 ? 44 GLY H C 1 ATOM 3740 O O . GLY C 3 44 ? 15.969 -25.615 -28.391 1.00 60.42 ? 44 GLY H O 1 ATOM 3741 N N . LEU C 3 45 ? 15.578 -26.259 -26.264 1.00 56.97 ? 45 LEU H N 1 ATOM 3742 C CA . LEU C 3 45 ? 14.138 -26.463 -26.448 1.00 53.26 ? 45 LEU H CA 1 ATOM 3743 C C . LEU C 3 45 ? 13.390 -25.168 -26.242 1.00 53.79 ? 45 LEU H C 1 ATOM 3744 O O . LEU C 3 45 ? 13.604 -24.461 -25.265 1.00 55.54 ? 45 LEU H O 1 ATOM 3745 C CB . LEU C 3 45 ? 13.600 -27.524 -25.484 1.00 51.32 ? 45 LEU H CB 1 ATOM 3746 C CG . LEU C 3 45 ? 14.120 -28.939 -25.708 1.00 49.58 ? 45 LEU H CG 1 ATOM 3747 C CD1 . LEU C 3 45 ? 13.556 -29.893 -24.672 1.00 48.04 ? 45 LEU H CD1 1 ATOM 3748 C CD2 . LEU C 3 45 ? 13.768 -29.398 -27.101 1.00 49.25 ? 45 LEU H CD2 1 ATOM 3749 N N . GLU C 3 46 ? 12.512 -24.866 -27.185 1.00 53.34 ? 46 GLU H N 1 ATOM 3750 C CA . GLU C 3 46 ? 11.709 -23.651 -27.126 1.00 55.53 ? 46 GLU H CA 1 ATOM 3751 C C . GLU C 3 46 ? 10.230 -23.968 -27.291 1.00 53.35 ? 46 GLU H C 1 ATOM 3752 O O . GLU C 3 46 ? 9.793 -24.489 -28.328 1.00 51.56 ? 46 GLU H O 1 ATOM 3753 C CB . GLU C 3 46 ? 12.162 -22.651 -28.193 1.00 58.31 ? 46 GLU H CB 1 ATOM 3754 C CG . GLU C 3 46 ? 11.751 -21.204 -27.913 1.00 65.68 ? 46 GLU H CG 1 ATOM 3755 C CD . GLU C 3 46 ? 12.058 -20.252 -29.073 1.00 72.87 ? 46 GLU H CD 1 ATOM 3756 O OE1 . GLU C 3 46 ? 13.141 -20.373 -29.688 1.00 74.48 ? 46 GLU H OE1 1 ATOM 3757 O OE2 . GLU C 3 46 ? 11.211 -19.377 -29.362 1.00 75.39 ? 46 GLU H OE2 1 ATOM 3758 N N . TRP C 3 47 ? 9.482 -23.662 -26.234 1.00 52.80 ? 47 TRP H N 1 ATOM 3759 C CA . TRP C 3 47 ? 8.026 -23.821 -26.225 1.00 50.99 ? 47 TRP H CA 1 ATOM 3760 C C . TRP C 3 47 ? 7.374 -22.774 -27.103 1.00 51.73 ? 47 TRP H C 1 ATOM 3761 O O . TRP C 3 47 ? 7.596 -21.575 -26.948 1.00 54.12 ? 47 TRP H O 1 ATOM 3762 C CB . TRP C 3 47 ? 7.469 -23.709 -24.805 1.00 52.21 ? 47 TRP H CB 1 ATOM 3763 C CG . TRP C 3 47 ? 5.976 -23.758 -24.748 1.00 53.18 ? 47 TRP H CG 1 ATOM 3764 C CD1 . TRP C 3 47 ? 5.185 -24.848 -24.947 1.00 53.67 ? 47 TRP H CD1 1 ATOM 3765 C CD2 . TRP C 3 47 ? 5.093 -22.670 -24.469 1.00 57.75 ? 47 TRP H CD2 1 ATOM 3766 N NE1 . TRP C 3 47 ? 3.864 -24.507 -24.815 1.00 54.77 ? 47 TRP H NE1 1 ATOM 3767 C CE2 . TRP C 3 47 ? 3.782 -23.173 -24.522 1.00 57.97 ? 47 TRP H CE2 1 ATOM 3768 C CE3 . TRP C 3 47 ? 5.284 -21.318 -24.183 1.00 63.42 ? 47 TRP H CE3 1 ATOM 3769 C CZ2 . TRP C 3 47 ? 2.668 -22.374 -24.298 1.00 63.55 ? 47 TRP H CZ2 1 ATOM 3770 C CZ3 . TRP C 3 47 ? 4.178 -20.525 -23.960 1.00 66.62 ? 47 TRP H CZ3 1 ATOM 3771 C CH2 . TRP C 3 47 ? 2.886 -21.055 -24.017 1.00 66.83 ? 47 TRP H CH2 1 ATOM 3772 N N . MET C 3 48 ? 6.552 -23.247 -28.023 1.00 50.20 ? 48 MET H N 1 ATOM 3773 C CA . MET C 3 48 ? 5.895 -22.369 -28.980 1.00 52.33 ? 48 MET H CA 1 ATOM 3774 C C . MET C 3 48 ? 4.473 -22.070 -28.543 1.00 54.36 ? 48 MET H C 1 ATOM 3775 O O . MET C 3 48 ? 4.006 -20.940 -28.635 1.00 57.32 ? 48 MET H O 1 ATOM 3776 C CB . MET C 3 48 ? 5.887 -23.017 -30.356 1.00 51.36 ? 48 MET H CB 1 ATOM 3777 C CG . MET C 3 48 ? 7.271 -23.359 -30.863 1.00 50.61 ? 48 MET H CG 1 ATOM 3778 S SD . MET C 3 48 ? 7.235 -24.003 -32.545 1.00 52.09 ? 48 MET H SD 1 ATOM 3779 C CE . MET C 3 48 ? 6.311 -22.717 -33.382 1.00 50.86 ? 48 MET H CE 1 ATOM 3780 N N . GLY C 3 49 ? 3.799 -23.094 -28.043 1.00 53.74 ? 49 GLY H N 1 ATOM 3781 C CA . GLY C 3 49 ? 2.395 -22.973 -27.662 1.00 55.75 ? 49 GLY H CA 1 ATOM 3782 C C . GLY C 3 49 ? 1.710 -24.264 -27.279 1.00 54.70 ? 49 GLY H C 1 ATOM 3783 O O . GLY C 3 49 ? 2.252 -25.359 -27.428 1.00 52.56 ? 49 GLY H O 1 ATOM 3784 N N . ILE C 3 50 ? 0.494 -24.098 -26.781 1.00 56.88 ? 50 ILE H N 1 ATOM 3785 C CA . ILE C 3 50 ? -0.346 -25.209 -26.357 1.00 56.16 ? 50 ILE H CA 1 ATOM 3786 C C . ILE C 3 50 ? -1.771 -25.070 -26.870 1.00 58.48 ? 50 ILE H C 1 ATOM 3787 O O . ILE C 3 50 ? -2.331 -23.976 -26.930 1.00 61.08 ? 50 ILE H O 1 ATOM 3788 C CB . ILE C 3 50 ? -0.402 -25.311 -24.814 1.00 56.55 ? 50 ILE H CB 1 ATOM 3789 C CG1 . ILE C 3 50 ? -1.210 -26.534 -24.379 1.00 57.88 ? 50 ILE H CG1 1 ATOM 3790 C CG2 . ILE C 3 50 ? -1.030 -24.063 -24.211 1.00 58.49 ? 50 ILE H CG2 1 ATOM 3791 C CD1 . ILE C 3 50 ? -1.293 -26.705 -22.879 1.00 60.45 ? 50 ILE H CD1 1 ATOM 3792 N N . ILE C 3 51 ? -2.336 -26.204 -27.252 1.00 58.25 ? 51 ILE H N 1 ATOM 3793 C CA . ILE C 3 51 ? -3.776 -26.317 -27.441 1.00 61.85 ? 51 ILE H CA 1 ATOM 3794 C C . ILE C 3 51 ? -4.319 -27.247 -26.367 1.00 63.01 ? 51 ILE H C 1 ATOM 3795 O O . ILE C 3 51 ? -4.103 -28.456 -26.396 1.00 62.57 ? 51 ILE H O 1 ATOM 3796 C CB . ILE C 3 51 ? -4.162 -26.816 -28.847 1.00 62.65 ? 51 ILE H CB 1 ATOM 3797 C CG1 . ILE C 3 51 ? -5.658 -26.602 -29.076 1.00 66.90 ? 51 ILE H CG1 1 ATOM 3798 C CG2 . ILE C 3 51 ? -3.793 -28.284 -29.044 1.00 59.71 ? 51 ILE H CG2 1 ATOM 3799 C CD1 . ILE C 3 51 ? -6.071 -26.683 -30.533 1.00 69.96 ? 51 ILE H CD1 1 ATOM 3800 N N . GLY C 3 52 ? -5.004 -26.654 -25.401 1.00 65.86 ? 52 GLY H N 1 ATOM 3801 C CA . GLY C 3 52 ? -5.551 -27.391 -24.272 1.00 67.03 ? 52 GLY H CA 1 ATOM 3802 C C . GLY C 3 52 ? -6.698 -28.297 -24.650 1.00 69.90 ? 52 GLY H C 1 ATOM 3803 O O . GLY C 3 52 ? -7.321 -28.152 -25.703 1.00 71.81 ? 52 GLY H O 1 ATOM 3804 N N . HIS C 3 53 ? -6.974 -29.232 -23.756 1.00 70.54 ? 53 HIS H N 1 ATOM 3805 C CA . HIS C 3 53 ? -8.022 -30.238 -23.973 1.00 73.02 ? 53 HIS H CA 1 ATOM 3806 C C . HIS C 3 53 ? -9.315 -29.583 -24.412 1.00 77.66 ? 53 HIS H C 1 ATOM 3807 O O . HIS C 3 53 ? -10.133 -30.197 -25.093 1.00 80.27 ? 53 HIS H O 1 ATOM 3808 C CB . HIS C 3 53 ? -8.296 -31.058 -22.704 1.00 73.49 ? 53 HIS H CB 1 ATOM 3809 C CG . HIS C 3 53 ? -9.189 -30.366 -21.721 1.00 75.23 ? 53 HIS H CG 1 ATOM 3810 N ND1 . HIS C 3 53 ? -8.750 -29.346 -20.906 1.00 74.51 ? 53 HIS H ND1 1 ATOM 3811 C CD2 . HIS C 3 53 ? -10.497 -30.549 -21.421 1.00 79.44 ? 53 HIS H CD2 1 ATOM 3812 C CE1 . HIS C 3 53 ? -9.748 -28.928 -20.148 1.00 78.29 ? 53 HIS H CE1 1 ATOM 3813 N NE2 . HIS C 3 53 ? -10.820 -29.641 -20.442 1.00 81.19 ? 53 HIS H NE2 1 ATOM 3814 N N . ALA C 3 54 ? -9.487 -28.330 -24.012 1.00 79.51 ? 54 ALA H N 1 ATOM 3815 C CA . ALA C 3 54 ? -10.762 -27.629 -24.203 1.00 84.92 ? 54 ALA H CA 1 ATOM 3816 C C . ALA C 3 54 ? -10.758 -26.826 -25.494 1.00 86.51 ? 54 ALA H C 1 ATOM 3817 O O . ALA C 3 54 ? -11.757 -26.213 -25.867 1.00 90.82 ? 54 ALA H O 1 ATOM 3818 C CB . ALA C 3 54 ? -11.066 -26.727 -23.010 1.00 86.82 ? 54 ALA H CB 1 ATOM 3819 N N . GLY C 3 55 ? -9.623 -26.857 -26.175 1.00 83.26 ? 55 GLY H N 1 ATOM 3820 C CA . GLY C 3 55 ? -9.461 -26.161 -27.453 1.00 84.37 ? 55 GLY H CA 1 ATOM 3821 C C . GLY C 3 55 ? -8.862 -24.778 -27.304 1.00 84.50 ? 55 GLY H C 1 ATOM 3822 O O . GLY C 3 55 ? -8.494 -24.134 -28.283 1.00 84.43 ? 55 GLY H O 1 ATOM 3823 N N . GLY C 3 56 ? -8.778 -24.326 -26.062 1.00 85.31 ? 56 GLY H N 1 ATOM 3824 C CA . GLY C 3 56 ? -8.141 -23.047 -25.745 1.00 86.27 ? 56 GLY H CA 1 ATOM 3825 C C . GLY C 3 56 ? -6.670 -23.071 -26.094 1.00 82.48 ? 56 GLY H C 1 ATOM 3826 O O . GLY C 3 56 ? -6.029 -24.120 -26.067 1.00 77.94 ? 56 GLY H O 1 ATOM 3827 N N . THR C 3 57 ? -6.138 -21.901 -26.416 1.00 84.81 ? 57 THR H N 1 ATOM 3828 C CA . THR C 3 57 ? -4.743 -21.785 -26.839 1.00 82.44 ? 57 THR H CA 1 ATOM 3829 C C . THR C 3 57 ? -3.992 -20.650 -26.178 1.00 83.82 ? 57 THR H C 1 ATOM 3830 O O . THR C 3 57 ? -4.508 -19.550 -25.985 1.00 88.51 ? 57 THR H O 1 ATOM 3831 C CB . THR C 3 57 ? -4.634 -21.582 -28.359 1.00 83.14 ? 57 THR H CB 1 ATOM 3832 O OG1 . THR C 3 57 ? -5.452 -22.543 -29.033 1.00 85.40 ? 57 THR H OG1 1 ATOM 3833 C CG2 . THR C 3 57 ? -3.193 -21.745 -28.815 1.00 81.28 ? 57 THR H CG2 1 ATOM 3834 N N . ASP C 3 58 ? -2.751 -20.959 -25.837 1.00 81.01 ? 58 ASP H N 1 ATOM 3835 C CA . ASP C 3 58 ? -1.783 -19.961 -25.395 1.00 82.61 ? 58 ASP H CA 1 ATOM 3836 C C . ASP C 3 58 ? -0.481 -20.131 -26.169 1.00 79.82 ? 58 ASP H C 1 ATOM 3837 O O . ASP C 3 58 ? -0.165 -21.213 -26.659 1.00 76.30 ? 58 ASP H O 1 ATOM 3838 C CB . ASP C 3 58 ? -1.532 -20.072 -23.890 1.00 82.37 ? 58 ASP H CB 1 ATOM 3839 C CG . ASP C 3 58 ? -1.048 -18.768 -23.285 1.00 86.87 ? 58 ASP H CG 1 ATOM 3840 O OD1 . ASP C 3 58 ? -1.845 -17.808 -23.223 1.00 92.80 ? 58 ASP H OD1 1 ATOM 3841 O OD2 . ASP C 3 58 ? 0.126 -18.701 -22.864 1.00 87.32 ? 58 ASP H OD2 1 ATOM 3842 N N . TYR C 3 59 ? 0.259 -19.042 -26.287 1.00 82.07 ? 59 TYR H N 1 ATOM 3843 C CA . TYR C 3 59 ? 1.472 -19.030 -27.100 1.00 80.89 ? 59 TYR H CA 1 ATOM 3844 C C . TYR C 3 59 ? 2.650 -18.388 -26.393 1.00 82.20 ? 59 TYR H C 1 ATOM 3845 O O . TYR C 3 59 ? 2.535 -17.874 -25.283 1.00 84.02 ? 59 TYR H O 1 ATOM 3846 C CB . TYR C 3 59 ? 1.217 -18.298 -28.418 1.00 83.73 ? 59 TYR H CB 1 ATOM 3847 C CG . TYR C 3 59 ? 0.072 -18.855 -29.236 1.00 85.77 ? 59 TYR H CG 1 ATOM 3848 C CD1 . TYR C 3 59 ? 0.254 -19.960 -30.055 1.00 84.09 ? 59 TYR H CD1 1 ATOM 3849 C CD2 . TYR C 3 59 ? -1.187 -18.267 -29.201 1.00 90.81 ? 59 TYR H CD2 1 ATOM 3850 C CE1 . TYR C 3 59 ? -0.786 -20.468 -30.810 1.00 85.11 ? 59 TYR H CE1 1 ATOM 3851 C CE2 . TYR C 3 59 ? -2.232 -18.768 -29.955 1.00 91.80 ? 59 TYR H CE2 1 ATOM 3852 C CZ . TYR C 3 59 ? -2.023 -19.870 -30.758 1.00 89.00 ? 59 TYR H CZ 1 ATOM 3853 O OH . TYR C 3 59 ? -3.053 -20.382 -31.511 1.00 91.61 ? 59 TYR H OH 1 ATOM 3854 N N . ASN C 3 60 ? 3.784 -18.451 -27.078 1.00 81.88 ? 60 ASN H N 1 ATOM 3855 C CA . ASN C 3 60 ? 5.042 -17.834 -26.633 1.00 84.39 ? 60 ASN H CA 1 ATOM 3856 C C . ASN C 3 60 ? 5.141 -16.364 -27.035 1.00 90.21 ? 60 ASN H C 1 ATOM 3857 O O . ASN C 3 60 ? 4.988 -16.004 -28.208 1.00 91.61 ? 60 ASN H O 1 ATOM 3858 C CB . ASN C 3 60 ? 6.245 -18.600 -27.187 1.00 81.54 ? 60 ASN H CB 1 ATOM 3859 C CG . ASN C 3 60 ? 7.569 -18.018 -26.723 1.00 84.66 ? 60 ASN H CG 1 ATOM 3860 O OD1 . ASN C 3 60 ? 8.442 -17.708 -27.533 1.00 87.28 ? 60 ASN H OD1 1 ATOM 3861 N ND2 . ASN C 3 60 ? 7.721 -17.860 -25.412 1.00 86.91 ? 60 ASN H ND2 1 ATOM 3862 N N . SER C 3 61 ? 5.407 -15.531 -26.035 1.00 94.59 ? 61 SER H N 1 ATOM 3863 C CA . SER C 3 61 ? 5.396 -14.071 -26.193 1.00 100.94 ? 61 SER H CA 1 ATOM 3864 C C . SER C 3 61 ? 6.196 -13.639 -27.403 1.00 102.48 ? 61 SER H C 1 ATOM 3865 O O . SER C 3 61 ? 5.788 -12.754 -28.153 1.00 106.37 ? 61 SER H O 1 ATOM 3866 C CB . SER C 3 61 ? 5.962 -13.371 -24.954 1.00 104.60 ? 61 SER H CB 1 ATOM 3867 O OG . SER C 3 61 ? 5.204 -13.679 -23.799 1.00 105.74 ? 61 SER H OG 1 ATOM 3868 N N . ASN C 3 62 ? 7.343 -14.280 -27.584 1.00 100.24 ? 62 ASN H N 1 ATOM 3869 C CA . ASN C 3 62 ? 8.246 -13.937 -28.692 1.00 101.60 ? 62 ASN H CA 1 ATOM 3870 C C . ASN C 3 62 ? 7.610 -14.348 -30.002 1.00 99.95 ? 62 ASN H C 1 ATOM 3871 O O . ASN C 3 62 ? 7.664 -13.623 -30.992 1.00 102.95 ? 62 ASN H O 1 ATOM 3872 C CB . ASN C 3 62 ? 9.633 -14.573 -28.541 1.00 99.61 ? 62 ASN H CB 1 ATOM 3873 C CG . ASN C 3 62 ? 10.617 -13.649 -27.849 1.00 105.00 ? 62 ASN H CG 1 ATOM 3874 O OD1 . ASN C 3 62 ? 10.292 -13.028 -26.838 1.00 110.25 ? 62 ASN H OD1 1 ATOM 3875 N ND2 . ASN C 3 62 ? 11.825 -13.543 -28.398 1.00 104.99 ? 62 ASN H ND2 1 ATOM 3876 N N . LEU C 3 63 ? 6.984 -15.517 -29.976 1.00 96.25 ? 63 LEU H N 1 ATOM 3877 C CA . LEU C 3 63 ? 6.189 -15.998 -31.105 1.00 95.24 ? 63 LEU H CA 1 ATOM 3878 C C . LEU C 3 63 ? 4.815 -15.382 -31.001 1.00 99.12 ? 63 LEU H C 1 ATOM 3879 O O . LEU C 3 63 ? 3.850 -16.022 -30.594 1.00 98.10 ? 63 LEU H O 1 ATOM 3880 C CB . LEU C 3 63 ? 6.074 -17.522 -31.101 1.00 90.05 ? 63 LEU H CB 1 ATOM 3881 C CG . LEU C 3 63 ? 7.378 -18.291 -31.285 1.00 86.32 ? 63 LEU H CG 1 ATOM 3882 C CD1 . LEU C 3 63 ? 7.108 -19.787 -31.231 1.00 81.44 ? 63 LEU H CD1 1 ATOM 3883 C CD2 . LEU C 3 63 ? 8.046 -17.896 -32.594 1.00 87.30 ? 63 LEU H CD2 1 ATOM 3884 N N . LYS C 3 64 ? 4.752 -14.113 -31.369 1.00 105.00 ? 64 LYS H N 1 ATOM 3885 C CA . LYS C 3 64 ? 3.546 -13.316 -31.189 1.00 109.92 ? 64 LYS H CA 1 ATOM 3886 C C . LYS C 3 64 ? 2.862 -12.991 -32.499 1.00 111.85 ? 64 LYS H C 1 ATOM 3887 O O . LYS C 3 64 ? 3.159 -11.982 -33.137 1.00 115.66 ? 64 LYS H O 1 ATOM 3888 C CB . LYS C 3 64 ? 3.880 -12.010 -30.453 1.00 116.00 ? 64 LYS H CB 1 ATOM 3889 C CG . LYS C 3 64 ? 2.686 -11.076 -30.238 1.00 122.60 ? 64 LYS H CG 1 ATOM 3890 C CD . LYS C 3 64 ? 3.087 -9.812 -29.486 1.00 129.46 ? 64 LYS H CD 1 ATOM 3891 C CE . LYS C 3 64 ? 1.898 -8.875 -29.285 1.00 137.11 ? 64 LYS H CE 1 ATOM 3892 N NZ . LYS C 3 64 ? 2.318 -7.465 -29.028 1.00 144.03 ? 64 LYS H NZ 1 ATOM 3893 N N . SER C 3 65 ? 1.940 -13.864 -32.878 1.00 109.01 ? 65 SER H N 1 ATOM 3894 C CA . SER C 3 65 ? 0.929 -13.551 -33.884 1.00 112.14 ? 65 SER H CA 1 ATOM 3895 C C . SER C 3 65 ? 1.327 -13.974 -35.282 1.00 109.50 ? 65 SER H C 1 ATOM 3896 O O . SER C 3 65 ? 0.735 -13.523 -36.260 1.00 113.58 ? 65 SER H O 1 ATOM 3897 C CB . SER C 3 65 ? 0.604 -12.052 -33.886 1.00 119.59 ? 65 SER H CB 1 ATOM 3898 O OG . SER C 3 65 ? 1.359 -11.363 -34.869 1.00 123.65 ? 65 SER H OG 1 ATOM 3899 N N . ARG C 3 66 ? 2.356 -14.803 -35.370 1.00 103.48 ? 66 ARG H N 1 ATOM 3900 C CA . ARG C 3 66 ? 2.649 -15.516 -36.620 1.00 100.23 ? 66 ARG H CA 1 ATOM 3901 C C . ARG C 3 66 ? 2.771 -17.000 -36.356 1.00 94.01 ? 66 ARG H C 1 ATOM 3902 O O . ARG C 3 66 ? 3.173 -17.779 -37.217 1.00 91.32 ? 66 ARG H O 1 ATOM 3903 C CB . ARG C 3 66 ? 3.889 -14.957 -37.320 1.00 101.33 ? 66 ARG H CB 1 ATOM 3904 C CG . ARG C 3 66 ? 5.216 -15.494 -36.842 1.00 96.65 ? 66 ARG H CG 1 ATOM 3905 C CD . ARG C 3 66 ? 6.346 -14.595 -37.336 1.00 97.58 ? 66 ARG H CD 1 ATOM 3906 N NE . ARG C 3 66 ? 7.525 -15.357 -37.727 1.00 94.44 ? 66 ARG H NE 1 ATOM 3907 C CZ . ARG C 3 66 ? 8.308 -16.006 -36.873 1.00 91.88 ? 66 ARG H CZ 1 ATOM 3908 N NH1 . ARG C 3 66 ? 8.033 -15.993 -35.576 1.00 91.17 ? 66 ARG H NH1 1 ATOM 3909 N NH2 . ARG C 3 66 ? 9.360 -16.676 -37.316 1.00 90.10 ? 66 ARG H NH2 1 ATOM 3910 N N . VAL C 3 67 ? 2.402 -17.366 -35.138 1.00 91.86 ? 67 VAL H N 1 ATOM 3911 C CA . VAL C 3 67 ? 2.185 -18.751 -34.775 1.00 87.37 ? 67 VAL H CA 1 ATOM 3912 C C . VAL C 3 67 ? 0.696 -18.979 -34.658 1.00 88.43 ? 67 VAL H C 1 ATOM 3913 O O . VAL C 3 67 ? -0.061 -18.088 -34.274 1.00 92.03 ? 67 VAL H O 1 ATOM 3914 C CB . VAL C 3 67 ? 2.843 -19.116 -33.441 1.00 84.75 ? 67 VAL H CB 1 ATOM 3915 C CG1 . VAL C 3 67 ? 2.422 -20.517 -33.023 1.00 81.08 ? 67 VAL H CG1 1 ATOM 3916 C CG2 . VAL C 3 67 ? 4.357 -19.016 -33.548 1.00 84.33 ? 67 VAL H CG2 1 ATOM 3917 N N . SER C 3 68 ? 0.288 -20.187 -35.001 1.00 85.95 ? 68 SER H N 1 ATOM 3918 C CA . SER C 3 68 ? -1.125 -20.556 -34.961 1.00 87.70 ? 68 SER H CA 1 ATOM 3919 C C . SER C 3 68 ? -1.331 -22.036 -34.756 1.00 84.46 ? 68 SER H C 1 ATOM 3920 O O . SER C 3 68 ? -0.883 -22.859 -35.552 1.00 83.40 ? 68 SER H O 1 ATOM 3921 C CB . SER C 3 68 ? -1.824 -20.131 -36.250 1.00 91.93 ? 68 SER H CB 1 ATOM 3922 O OG . SER C 3 68 ? -3.002 -20.893 -36.454 1.00 94.03 ? 68 SER H OG 1 ATOM 3923 N N . ILE C 3 69 ? -2.032 -22.354 -33.679 1.00 83.56 ? 69 ILE H N 1 ATOM 3924 C CA . ILE C 3 69 ? -2.305 -23.734 -33.319 1.00 80.52 ? 69 ILE H CA 1 ATOM 3925 C C . ILE C 3 69 ? -3.794 -24.006 -33.256 1.00 82.82 ? 69 ILE H C 1 ATOM 3926 O O . ILE C 3 69 ? -4.524 -23.410 -32.465 1.00 85.26 ? 69 ILE H O 1 ATOM 3927 C CB . ILE C 3 69 ? -1.689 -24.083 -31.960 1.00 77.34 ? 69 ILE H CB 1 ATOM 3928 C CG1 . ILE C 3 69 ? -0.181 -23.837 -31.978 1.00 75.92 ? 69 ILE H CG1 1 ATOM 3929 C CG2 . ILE C 3 69 ? -1.972 -25.534 -31.616 1.00 76.76 ? 69 ILE H CG2 1 ATOM 3930 C CD1 . ILE C 3 69 ? 0.481 -24.026 -30.623 1.00 75.43 ? 69 ILE H CD1 1 ATOM 3931 N N . SER C 3 70 ? -4.231 -24.913 -34.116 1.00 82.45 ? 70 SER H N 1 ATOM 3932 C CA . SER C 3 70 ? -5.600 -25.422 -34.063 1.00 84.84 ? 70 SER H CA 1 ATOM 3933 C C . SER C 3 70 ? -5.611 -26.941 -34.169 1.00 82.53 ? 70 SER H C 1 ATOM 3934 O O . SER C 3 70 ? -4.559 -27.589 -34.167 1.00 78.65 ? 70 SER H O 1 ATOM 3935 C CB . SER C 3 70 ? -6.467 -24.803 -35.162 1.00 89.48 ? 70 SER H CB 1 ATOM 3936 O OG . SER C 3 70 ? -6.085 -25.268 -36.442 1.00 90.54 ? 70 SER H OG 1 ATOM 3937 N N . ARG C 3 71 ? -6.812 -27.494 -34.262 1.00 84.73 ? 71 ARG H N 1 ATOM 3938 C CA . ARG C 3 71 ? -6.980 -28.944 -34.249 1.00 83.88 ? 71 ARG H CA 1 ATOM 3939 C C . ARG C 3 71 ? -8.272 -29.433 -34.869 1.00 88.74 ? 71 ARG H C 1 ATOM 3940 O O . ARG C 3 71 ? -9.176 -28.666 -35.193 1.00 92.70 ? 71 ARG H O 1 ATOM 3941 C CB . ARG C 3 71 ? -6.906 -29.462 -32.814 1.00 81.47 ? 71 ARG H CB 1 ATOM 3942 C CG . ARG C 3 71 ? -8.082 -29.046 -31.956 1.00 82.98 ? 71 ARG H CG 1 ATOM 3943 C CD . ARG C 3 71 ? -7.923 -29.522 -30.530 1.00 81.05 ? 71 ARG H CD 1 ATOM 3944 N NE . ARG C 3 71 ? -9.208 -29.605 -29.840 1.00 85.15 ? 71 ARG H NE 1 ATOM 3945 C CZ . ARG C 3 71 ? -9.356 -29.954 -28.567 1.00 81.37 ? 71 ARG H CZ 1 ATOM 3946 N NH1 . ARG C 3 71 ? -8.298 -30.250 -27.824 1.00 80.36 ? 71 ARG H NH1 1 ATOM 3947 N NH2 . ARG C 3 71 ? -10.565 -30.001 -28.037 1.00 82.31 ? 71 ARG H NH2 1 ATOM 3948 N N . ASP C 3 72 ? -8.314 -30.746 -35.025 1.00 89.05 ? 72 ASP H N 1 ATOM 3949 C CA . ASP C 3 72 ? -9.511 -31.453 -35.473 1.00 94.49 ? 72 ASP H CA 1 ATOM 3950 C C . ASP C 3 72 ? -9.660 -32.767 -34.718 1.00 94.47 ? 72 ASP H C 1 ATOM 3951 O O . ASP C 3 72 ? -8.940 -33.738 -34.961 1.00 93.02 ? 72 ASP H O 1 ATOM 3952 C CB . ASP C 3 72 ? -9.459 -31.708 -36.978 1.00 97.33 ? 72 ASP H CB 1 ATOM 3953 C CG . ASP C 3 72 ? -10.826 -31.634 -37.632 1.00 105.11 ? 72 ASP H CG 1 ATOM 3954 O OD1 . ASP C 3 72 ? -11.823 -32.085 -37.024 1.00 108.97 ? 72 ASP H OD1 1 ATOM 3955 O OD2 . ASP C 3 72 ? -10.899 -31.120 -38.767 1.00 109.21 ? 72 ASP H OD2 1 ATOM 3956 N N . THR C 3 73 ? -10.610 -32.775 -33.794 1.00 96.65 ? 73 THR H N 1 ATOM 3957 C CA . THR C 3 73 ? -10.780 -33.895 -32.871 1.00 96.02 ? 73 THR H CA 1 ATOM 3958 C C . THR C 3 73 ? -11.230 -35.132 -33.618 1.00 99.46 ? 73 THR H C 1 ATOM 3959 O O . THR C 3 73 ? -10.882 -36.256 -33.263 1.00 98.61 ? 73 THR H O 1 ATOM 3960 C CB . THR C 3 73 ? -11.801 -33.577 -31.763 1.00 98.35 ? 73 THR H CB 1 ATOM 3961 O OG1 . THR C 3 73 ? -11.545 -32.268 -31.242 1.00 95.78 ? 73 THR H OG1 1 ATOM 3962 C CG2 . THR C 3 73 ? -11.703 -34.600 -30.637 1.00 98.12 ? 73 THR H CG2 1 ATOM 3963 N N . SER C 3 74 ? -11.988 -34.907 -34.678 1.00 103.76 ? 74 SER H N 1 ATOM 3964 C CA . SER C 3 74 ? -12.521 -36.014 -35.466 1.00 109.02 ? 74 SER H CA 1 ATOM 3965 C C . SER C 3 74 ? -11.392 -36.865 -36.029 1.00 106.70 ? 74 SER H C 1 ATOM 3966 O O . SER C 3 74 ? -11.549 -38.070 -36.228 1.00 110.11 ? 74 SER H O 1 ATOM 3967 C CB . SER C 3 74 ? -13.430 -35.517 -36.601 1.00 114.73 ? 74 SER H CB 1 ATOM 3968 O OG . SER C 3 74 ? -12.770 -34.568 -37.418 1.00 113.13 ? 74 SER H OG 1 ATOM 3969 N N . LYS C 3 75 ? -10.259 -36.227 -36.287 1.00 101.41 ? 75 LYS H N 1 ATOM 3970 C CA . LYS C 3 75 ? -9.107 -36.916 -36.869 1.00 99.21 ? 75 LYS H CA 1 ATOM 3971 C C . LYS C 3 75 ? -8.033 -37.175 -35.826 1.00 93.26 ? 75 LYS H C 1 ATOM 3972 O O . LYS C 3 75 ? -7.028 -37.831 -36.093 1.00 91.83 ? 75 LYS H O 1 ATOM 3973 C CB . LYS C 3 75 ? -8.509 -36.085 -38.002 1.00 98.62 ? 75 LYS H CB 1 ATOM 3974 C CG . LYS C 3 75 ? -9.496 -35.678 -39.070 1.00 104.94 ? 75 LYS H CG 1 ATOM 3975 C CD . LYS C 3 75 ? -8.784 -34.909 -40.169 1.00 105.66 ? 75 LYS H CD 1 ATOM 3976 C CE . LYS C 3 75 ? -9.704 -34.585 -41.328 1.00 113.19 ? 75 LYS H CE 1 ATOM 3977 N NZ . LYS C 3 75 ? -8.968 -33.865 -42.406 1.00 113.87 ? 75 LYS H NZ 1 ATOM 3978 N N . SER C 3 76 ? -8.270 -36.654 -34.633 1.00 90.34 ? 76 SER H N 1 ATOM 3979 C CA . SER C 3 76 ? -7.252 -36.634 -33.583 1.00 84.59 ? 76 SER H CA 1 ATOM 3980 C C . SER C 3 76 ? -5.988 -36.011 -34.150 1.00 80.16 ? 76 SER H C 1 ATOM 3981 O O . SER C 3 76 ? -4.940 -36.657 -34.260 1.00 78.48 ? 76 SER H O 1 ATOM 3982 C CB . SER C 3 76 ? -6.962 -38.042 -33.066 1.00 84.69 ? 76 SER H CB 1 ATOM 3983 O OG . SER C 3 76 ? -8.103 -38.613 -32.452 1.00 89.00 ? 76 SER H OG 1 ATOM 3984 N N . GLN C 3 77 ? -6.111 -34.742 -34.515 1.00 78.75 ? 77 GLN H N 1 ATOM 3985 C CA . GLN C 3 77 ? -5.062 -34.043 -35.255 1.00 75.47 ? 77 GLN H CA 1 ATOM 3986 C C . GLN C 3 77 ? -4.883 -32.599 -34.802 1.00 72.53 ? 77 GLN H C 1 ATOM 3987 O O . GLN C 3 77 ? -5.799 -31.785 -34.890 1.00 73.90 ? 77 GLN H O 1 ATOM 3988 C CB . GLN C 3 77 ? -5.401 -34.086 -36.745 1.00 79.11 ? 77 GLN H CB 1 ATOM 3989 C CG . GLN C 3 77 ? -4.205 -34.198 -37.669 1.00 77.34 ? 77 GLN H CG 1 ATOM 3990 C CD . GLN C 3 77 ? -4.567 -34.844 -38.994 1.00 79.81 ? 77 GLN H CD 1 ATOM 3991 O OE1 . GLN C 3 77 ? -5.695 -34.723 -39.463 1.00 82.83 ? 77 GLN H OE1 1 ATOM 3992 N NE2 . GLN C 3 77 ? -3.611 -35.538 -39.600 1.00 79.85 ? 77 GLN H NE2 1 ATOM 3993 N N . VAL C 3 78 ? -3.683 -32.306 -34.317 1.00 68.37 ? 78 VAL H N 1 ATOM 3994 C CA . VAL C 3 78 ? -3.337 -30.966 -33.831 1.00 66.44 ? 78 VAL H CA 1 ATOM 3995 C C . VAL C 3 78 ? -2.366 -30.284 -34.776 1.00 66.12 ? 78 VAL H C 1 ATOM 3996 O O . VAL C 3 78 ? -1.283 -30.798 -35.055 1.00 65.01 ? 78 VAL H O 1 ATOM 3997 C CB . VAL C 3 78 ? -2.727 -31.009 -32.416 1.00 62.59 ? 78 VAL H CB 1 ATOM 3998 C CG1 . VAL C 3 78 ? -1.825 -29.812 -32.187 1.00 60.78 ? 78 VAL H CG1 1 ATOM 3999 C CG2 . VAL C 3 78 ? -3.822 -31.047 -31.381 1.00 62.05 ? 78 VAL H CG2 1 ATOM 4000 N N . PHE C 3 79 ? -2.767 -29.114 -35.255 1.00 68.36 ? 79 PHE H N 1 ATOM 4001 C CA . PHE C 3 79 ? -2.009 -28.400 -36.286 1.00 68.60 ? 79 PHE H CA 1 ATOM 4002 C C . PHE C 3 79 ? -1.220 -27.231 -35.739 1.00 67.53 ? 79 PHE H C 1 ATOM 4003 O O . PHE C 3 79 ? -1.658 -26.514 -34.841 1.00 69.22 ? 79 PHE H O 1 ATOM 4004 C CB . PHE C 3 79 ? -2.940 -27.873 -37.378 1.00 72.37 ? 79 PHE H CB 1 ATOM 4005 C CG . PHE C 3 79 ? -3.954 -28.868 -37.843 1.00 74.42 ? 79 PHE H CG 1 ATOM 4006 C CD1 . PHE C 3 79 ? -3.600 -29.887 -38.706 1.00 75.93 ? 79 PHE H CD1 1 ATOM 4007 C CD2 . PHE C 3 79 ? -5.266 -28.779 -37.426 1.00 75.47 ? 79 PHE H CD2 1 ATOM 4008 C CE1 . PHE C 3 79 ? -4.537 -30.804 -39.137 1.00 78.10 ? 79 PHE H CE1 1 ATOM 4009 C CE2 . PHE C 3 79 ? -6.200 -29.688 -37.853 1.00 79.42 ? 79 PHE H CE2 1 ATOM 4010 C CZ . PHE C 3 79 ? -5.836 -30.704 -38.710 1.00 80.02 ? 79 PHE H CZ 1 ATOM 4011 N N . LEU C 3 80 ? -0.044 -27.056 -36.314 1.00 66.10 ? 80 LEU H N 1 ATOM 4012 C CA . LEU C 3 80 ? 0.754 -25.866 -36.102 1.00 65.50 ? 80 LEU H CA 1 ATOM 4013 C C . LEU C 3 80 ? 0.836 -25.142 -37.423 1.00 68.45 ? 80 LEU H C 1 ATOM 4014 O O . LEU C 3 80 ? 0.852 -25.759 -38.486 1.00 69.41 ? 80 LEU H O 1 ATOM 4015 C CB . LEU C 3 80 ? 2.161 -26.229 -35.633 1.00 62.75 ? 80 LEU H CB 1 ATOM 4016 C CG . LEU C 3 80 ? 3.110 -25.048 -35.404 1.00 61.30 ? 80 LEU H CG 1 ATOM 4017 C CD1 . LEU C 3 80 ? 2.682 -24.269 -34.170 1.00 60.61 ? 80 LEU H CD1 1 ATOM 4018 C CD2 . LEU C 3 80 ? 4.547 -25.516 -35.274 1.00 59.31 ? 80 LEU H CD2 1 ATOM 4019 N N . LYS C 3 81 ? 0.863 -23.824 -37.347 1.00 70.64 ? 81 LYS H N 1 ATOM 4020 C CA . LYS C 3 81 ? 1.095 -23.004 -38.523 1.00 73.79 ? 81 LYS H CA 1 ATOM 4021 C C . LYS C 3 81 ? 1.956 -21.811 -38.171 1.00 73.52 ? 81 LYS H C 1 ATOM 4022 O O . LYS C 3 81 ? 1.626 -21.024 -37.288 1.00 74.87 ? 81 LYS H O 1 ATOM 4023 C CB . LYS C 3 81 ? -0.228 -22.547 -39.129 1.00 78.70 ? 81 LYS H CB 1 ATOM 4024 C CG . LYS C 3 81 ? -1.083 -23.691 -39.647 1.00 83.64 ? 81 LYS H CG 1 ATOM 4025 C CD . LYS C 3 81 ? -2.212 -23.179 -40.532 1.00 93.65 ? 81 LYS H CD 1 ATOM 4026 C CE . LYS C 3 81 ? -3.185 -24.296 -40.904 1.00 97.10 ? 81 LYS H CE 1 ATOM 4027 N NZ . LYS C 3 81 ? -4.310 -23.808 -41.754 1.00 102.70 ? 81 LYS H NZ 1 ATOM 4028 N N . LEU C 3 82 ? 3.075 -21.708 -38.868 1.00 72.57 ? 82 LEU H N 1 ATOM 4029 C CA . LEU C 3 82 ? 4.037 -20.644 -38.645 1.00 73.30 ? 82 LEU H CA 1 ATOM 4030 C C . LEU C 3 82 ? 4.118 -19.732 -39.865 1.00 76.69 ? 82 LEU H C 1 ATOM 4031 O O . LEU C 3 82 ? 4.155 -20.184 -41.012 1.00 76.46 ? 82 LEU H O 1 ATOM 4032 C CB . LEU C 3 82 ? 5.404 -21.250 -38.313 1.00 70.54 ? 82 LEU H CB 1 ATOM 4033 C CG . LEU C 3 82 ? 6.407 -20.350 -37.593 1.00 72.36 ? 82 LEU H CG 1 ATOM 4034 C CD1 . LEU C 3 82 ? 5.735 -19.624 -36.438 1.00 74.11 ? 82 LEU H CD1 1 ATOM 4035 C CD2 . LEU C 3 82 ? 7.601 -21.162 -37.100 1.00 69.52 ? 82 LEU H CD2 1 ATOM 4036 N N . ASN C 3 83 A 4.133 -18.437 -39.585 1.00 79.69 ? 82 ASN H N 1 ATOM 4037 C CA . ASN C 3 83 A 4.161 -17.402 -40.621 1.00 84.13 ? 82 ASN H CA 1 ATOM 4038 C C . ASN C 3 83 A 5.498 -16.718 -40.742 1.00 85.28 ? 82 ASN H C 1 ATOM 4039 O O . ASN C 3 83 A 6.359 -16.813 -39.863 1.00 83.46 ? 82 ASN H O 1 ATOM 4040 C CB . ASN C 3 83 A 3.091 -16.337 -40.363 1.00 88.43 ? 82 ASN H CB 1 ATOM 4041 C CG . ASN C 3 83 A 1.819 -16.599 -41.130 1.00 91.14 ? 82 ASN H CG 1 ATOM 4042 O OD1 . ASN C 3 83 A 1.617 -17.687 -41.669 1.00 91.03 ? 82 ASN H OD1 1 ATOM 4043 N ND2 . ASN C 3 83 A 0.949 -15.597 -41.191 1.00 96.29 ? 82 ASN H ND2 1 ATOM 4044 N N . SER C 3 84 B 5.643 -16.021 -41.861 1.00 88.70 ? 82 SER H N 1 ATOM 4045 C CA . SER C 3 84 B 6.801 -15.181 -42.118 1.00 91.02 ? 82 SER H CA 1 ATOM 4046 C C . SER C 3 84 B 8.075 -15.956 -41.854 1.00 87.91 ? 82 SER H C 1 ATOM 4047 O O . SER C 3 84 B 8.921 -15.549 -41.054 1.00 88.53 ? 82 SER H O 1 ATOM 4048 C CB . SER C 3 84 B 6.758 -13.934 -41.232 1.00 94.23 ? 82 SER H CB 1 ATOM 4049 O OG . SER C 3 84 B 5.524 -13.254 -41.374 1.00 98.39 ? 82 SER H OG 1 ATOM 4050 N N . LEU C 3 85 C 8.191 -17.087 -42.533 1.00 85.49 ? 82 LEU H N 1 ATOM 4051 C CA . LEU C 3 85 C 9.360 -17.958 -42.373 1.00 82.71 ? 82 LEU H CA 1 ATOM 4052 C C . LEU C 3 85 C 10.661 -17.230 -42.681 1.00 85.56 ? 82 LEU H C 1 ATOM 4053 O O . LEU C 3 85 C 10.892 -16.766 -43.796 1.00 88.22 ? 82 LEU H O 1 ATOM 4054 C CB . LEU C 3 85 C 9.254 -19.222 -43.238 1.00 80.74 ? 82 LEU H CB 1 ATOM 4055 C CG . LEU C 3 85 C 8.453 -20.357 -42.604 1.00 77.29 ? 82 LEU H CG 1 ATOM 4056 C CD1 . LEU C 3 85 C 7.124 -19.838 -42.092 1.00 80.82 ? 82 LEU H CD1 1 ATOM 4057 C CD2 . LEU C 3 85 C 8.250 -21.498 -43.587 1.00 74.88 ? 82 LEU H CD2 1 ATOM 4058 N N . GLN C 3 86 ? 11.495 -17.131 -41.655 1.00 85.36 ? 83 GLN H N 1 ATOM 4059 C CA . GLN C 3 86 ? 12.845 -16.607 -41.791 1.00 88.23 ? 83 GLN H CA 1 ATOM 4060 C C . GLN C 3 86 ? 13.808 -17.745 -41.530 1.00 86.07 ? 83 GLN H C 1 ATOM 4061 O O . GLN C 3 86 ? 13.425 -18.911 -41.600 1.00 82.87 ? 83 GLN H O 1 ATOM 4062 C CB . GLN C 3 86 ? 13.088 -15.459 -40.809 1.00 90.83 ? 83 GLN H CB 1 ATOM 4063 C CG . GLN C 3 86 ? 12.135 -14.286 -40.985 1.00 96.32 ? 83 GLN H CG 1 ATOM 4064 C CD . GLN C 3 86 ? 12.710 -12.978 -40.466 1.00 102.70 ? 83 GLN H CD 1 ATOM 4065 O OE1 . GLN C 3 86 ? 12.365 -11.898 -40.950 1.00 107.38 ? 83 GLN H OE1 1 ATOM 4066 N NE2 . GLN C 3 86 ? 13.599 -13.071 -39.483 1.00 102.85 ? 83 GLN H NE2 1 ATOM 4067 N N . GLN C 3 87 ? 15.053 -17.402 -41.225 1.00 89.20 ? 84 GLN H N 1 ATOM 4068 C CA . GLN C 3 87 ? 16.060 -18.403 -40.869 1.00 88.75 ? 84 GLN H CA 1 ATOM 4069 C C . GLN C 3 87 ? 16.032 -18.657 -39.371 1.00 87.76 ? 84 GLN H C 1 ATOM 4070 O O . GLN C 3 87 ? 15.671 -17.796 -38.572 1.00 89.49 ? 84 GLN H O 1 ATOM 4071 C CB . GLN C 3 87 ? 17.457 -17.984 -41.319 1.00 92.55 ? 84 GLN H CB 1 ATOM 4072 C CG . GLN C 3 87 ? 17.528 -17.496 -42.764 1.00 97.44 ? 84 GLN H CG 1 ATOM 4073 C CD . GLN C 3 87 ? 17.072 -18.516 -43.790 1.00 96.30 ? 84 GLN H CD 1 ATOM 4074 O OE1 . GLN C 3 87 ? 16.808 -18.164 -44.943 1.00 97.22 ? 84 GLN H OE1 1 ATOM 4075 N NE2 . GLN C 3 87 ? 16.998 -19.783 -43.390 1.00 92.35 ? 84 GLN H NE2 1 ATOM 4076 N N . GLU C 3 88 ? 16.418 -19.871 -39.018 1.00 85.96 ? 85 GLU H N 1 ATOM 4077 C CA . GLU C 3 88 ? 16.260 -20.413 -37.665 1.00 84.27 ? 85 GLU H CA 1 ATOM 4078 C C . GLU C 3 88 ? 14.803 -20.425 -37.233 1.00 81.23 ? 85 GLU H C 1 ATOM 4079 O O . GLU C 3 88 ? 14.483 -20.302 -36.052 1.00 81.42 ? 85 GLU H O 1 ATOM 4080 C CB . GLU C 3 88 ? 17.137 -19.728 -36.611 1.00 87.43 ? 85 GLU H CB 1 ATOM 4081 C CG . GLU C 3 88 ? 17.532 -20.715 -35.496 1.00 87.00 ? 85 GLU H CG 1 ATOM 4082 C CD . GLU C 3 88 ? 18.535 -20.158 -34.495 1.00 93.69 ? 85 GLU H CD 1 ATOM 4083 O OE1 . GLU C 3 88 ? 19.699 -19.906 -34.875 1.00 97.84 ? 85 GLU H OE1 1 ATOM 4084 O OE2 . GLU C 3 88 ? 18.160 -19.999 -33.313 1.00 94.71 ? 85 GLU H OE2 1 ATOM 4085 N N . ASP C 3 89 ? 13.927 -20.552 -38.221 1.00 79.32 ? 86 ASP H N 1 ATOM 4086 C CA . ASP C 3 89 ? 12.649 -21.235 -38.012 1.00 75.68 ? 86 ASP H CA 1 ATOM 4087 C C . ASP C 3 89 ? 12.995 -22.671 -38.346 1.00 71.74 ? 86 ASP H C 1 ATOM 4088 O O . ASP C 3 89 ? 12.241 -23.609 -38.098 1.00 69.46 ? 86 ASP H O 1 ATOM 4089 C CB . ASP C 3 89 ? 11.526 -20.701 -38.907 1.00 77.63 ? 86 ASP H CB 1 ATOM 4090 C CG . ASP C 3 89 ? 10.864 -19.467 -38.331 1.00 80.41 ? 86 ASP H CG 1 ATOM 4091 O OD1 . ASP C 3 89 ? 11.248 -19.057 -37.218 1.00 80.62 ? 86 ASP H OD1 1 ATOM 4092 O OD2 . ASP C 3 89 ? 9.958 -18.910 -38.987 1.00 83.78 ? 86 ASP H OD2 1 ATOM 4093 N N . THR C 3 90 ? 14.181 -22.790 -38.927 1.00 71.02 ? 87 THR H N 1 ATOM 4094 C CA . THR C 3 90 ? 14.828 -24.064 -39.173 1.00 68.36 ? 87 THR H CA 1 ATOM 4095 C C . THR C 3 90 ? 15.080 -24.722 -37.846 1.00 65.66 ? 87 THR H C 1 ATOM 4096 O O . THR C 3 90 ? 15.878 -24.243 -37.043 1.00 66.77 ? 87 THR H O 1 ATOM 4097 C CB . THR C 3 90 ? 16.188 -23.901 -39.872 1.00 70.63 ? 87 THR H CB 1 ATOM 4098 O OG1 . THR C 3 90 ? 16.044 -23.083 -41.040 1.00 72.73 ? 87 THR H OG1 1 ATOM 4099 C CG2 . THR C 3 90 ? 16.739 -25.260 -40.252 1.00 69.67 ? 87 THR H CG2 1 ATOM 4100 N N . ALA C 3 91 ? 14.391 -25.829 -37.627 1.00 62.29 ? 88 ALA H N 1 ATOM 4101 C CA . ALA C 3 91 ? 14.485 -26.541 -36.363 1.00 59.56 ? 88 ALA H CA 1 ATOM 4102 C C . ALA C 3 91 ? 13.788 -27.877 -36.410 1.00 57.86 ? 88 ALA H C 1 ATOM 4103 O O . ALA C 3 91 ? 13.062 -28.189 -37.355 1.00 57.62 ? 88 ALA H O 1 ATOM 4104 C CB . ALA C 3 91 ? 13.897 -25.690 -35.247 1.00 58.74 ? 88 ALA H CB 1 ATOM 4105 N N . MET C 3 92 ? 14.061 -28.667 -35.383 1.00 57.00 ? 89 MET H N 1 ATOM 4106 C CA . MET C 3 92 ? 13.266 -29.857 -35.090 1.00 56.38 ? 89 MET H CA 1 ATOM 4107 C C . MET C 3 92 ? 11.991 -29.399 -34.406 1.00 55.34 ? 89 MET H C 1 ATOM 4108 O O . MET C 3 92 ? 12.024 -28.636 -33.436 1.00 55.33 ? 89 MET H O 1 ATOM 4109 C CB . MET C 3 92 ? 14.006 -30.837 -34.174 1.00 57.28 ? 89 MET H CB 1 ATOM 4110 C CG . MET C 3 92 ? 14.981 -31.756 -34.880 1.00 60.93 ? 89 MET H CG 1 ATOM 4111 S SD . MET C 3 92 ? 14.163 -33.010 -35.880 1.00 65.00 ? 89 MET H SD 1 ATOM 4112 C CE . MET C 3 92 ? 12.675 -33.324 -34.943 1.00 62.24 ? 89 MET H CE 1 ATOM 4113 N N . TYR C 3 93 ? 10.865 -29.874 -34.917 1.00 54.77 ? 90 TYR H N 1 ATOM 4114 C CA . TYR C 3 93 ? 9.570 -29.548 -34.341 1.00 53.00 ? 90 TYR H CA 1 ATOM 4115 C C . TYR C 3 93 ? 8.931 -30.772 -33.725 1.00 52.15 ? 90 TYR H C 1 ATOM 4116 O O . TYR C 3 93 ? 8.709 -31.783 -34.386 1.00 53.22 ? 90 TYR H O 1 ATOM 4117 C CB . TYR C 3 93 ? 8.662 -28.924 -35.396 1.00 54.27 ? 90 TYR H CB 1 ATOM 4118 C CG . TYR C 3 93 ? 9.020 -27.483 -35.700 1.00 53.80 ? 90 TYR H CG 1 ATOM 4119 C CD1 . TYR C 3 93 ? 9.968 -27.173 -36.663 1.00 54.97 ? 90 TYR H CD1 1 ATOM 4120 C CD2 . TYR C 3 93 ? 8.414 -26.435 -35.016 1.00 51.95 ? 90 TYR H CD2 1 ATOM 4121 C CE1 . TYR C 3 93 ? 10.304 -25.866 -36.937 1.00 55.79 ? 90 TYR H CE1 1 ATOM 4122 C CE2 . TYR C 3 93 ? 8.742 -25.128 -35.284 1.00 54.49 ? 90 TYR H CE2 1 ATOM 4123 C CZ . TYR C 3 93 ? 9.688 -24.849 -36.246 1.00 57.18 ? 90 TYR H CZ 1 ATOM 4124 O OH . TYR C 3 93 ? 10.020 -23.546 -36.518 1.00 61.28 ? 90 TYR H OH 1 ATOM 4125 N N . PHE C 3 94 ? 8.668 -30.655 -32.432 1.00 51.52 ? 91 PHE H N 1 ATOM 4126 C CA . PHE C 3 94 ? 8.067 -31.718 -31.639 1.00 50.71 ? 91 PHE H CA 1 ATOM 4127 C C . PHE C 3 94 ? 6.711 -31.301 -31.136 1.00 50.89 ? 91 PHE H C 1 ATOM 4128 O O . PHE C 3 94 ? 6.519 -30.175 -30.703 1.00 51.45 ? 91 PHE H O 1 ATOM 4129 C CB . PHE C 3 94 ? 8.918 -32.015 -30.405 1.00 50.13 ? 91 PHE H CB 1 ATOM 4130 C CG . PHE C 3 94 ? 10.315 -32.460 -30.706 1.00 49.18 ? 91 PHE H CG 1 ATOM 4131 C CD1 . PHE C 3 94 ? 10.558 -33.753 -31.123 1.00 50.36 ? 91 PHE H CD1 1 ATOM 4132 C CD2 . PHE C 3 94 ? 11.387 -31.609 -30.510 1.00 49.18 ? 91 PHE H CD2 1 ATOM 4133 C CE1 . PHE C 3 94 ? 11.839 -34.184 -31.382 1.00 52.16 ? 91 PHE H CE1 1 ATOM 4134 C CE2 . PHE C 3 94 ? 12.674 -32.030 -30.761 1.00 52.46 ? 91 PHE H CE2 1 ATOM 4135 C CZ . PHE C 3 94 ? 12.902 -33.321 -31.198 1.00 54.46 ? 91 PHE H CZ 1 ATOM 4136 N N . CYS C 3 95 ? 5.782 -32.242 -31.172 1.00 52.59 ? 92 CYS H N 1 ATOM 4137 C CA . CYS C 3 95 ? 4.514 -32.104 -30.461 1.00 53.34 ? 92 CYS H CA 1 ATOM 4138 C C . CYS C 3 95 ? 4.549 -33.044 -29.266 1.00 52.48 ? 92 CYS H C 1 ATOM 4139 O O . CYS C 3 95 ? 5.008 -34.185 -29.361 1.00 52.10 ? 92 CYS H O 1 ATOM 4140 C CB . CYS C 3 95 ? 3.305 -32.366 -31.377 1.00 55.12 ? 92 CYS H CB 1 ATOM 4141 S SG . CYS C 3 95 ? 3.108 -34.053 -32.009 1.00 61.75 ? 92 CYS H SG 1 ATOM 4142 N N . ALA C 3 96 ? 4.106 -32.533 -28.127 1.00 52.09 ? 93 ALA H N 1 ATOM 4143 C CA . ALA C 3 96 ? 4.118 -33.312 -26.890 1.00 52.56 ? 93 ALA H CA 1 ATOM 4144 C C . ALA C 3 96 ? 2.815 -33.202 -26.122 1.00 53.07 ? 93 ALA H C 1 ATOM 4145 O O . ALA C 3 96 ? 2.169 -32.152 -26.094 1.00 54.09 ? 93 ALA H O 1 ATOM 4146 C CB . ALA C 3 96 ? 5.279 -32.879 -26.011 1.00 52.04 ? 93 ALA H CB 1 ATOM 4147 N N . ARG C 3 97 ? 2.445 -34.304 -25.490 1.00 53.28 ? 94 ARG H N 1 ATOM 4148 C CA . ARG C 3 97 ? 1.259 -34.331 -24.638 1.00 54.64 ? 94 ARG H CA 1 ATOM 4149 C C . ARG C 3 97 ? 1.512 -33.635 -23.319 1.00 52.77 ? 94 ARG H C 1 ATOM 4150 O O . ARG C 3 97 ? 2.588 -33.739 -22.739 1.00 51.41 ? 94 ARG H O 1 ATOM 4151 C CB . ARG C 3 97 ? 0.793 -35.759 -24.367 1.00 56.94 ? 94 ARG H CB 1 ATOM 4152 C CG . ARG C 3 97 ? -0.579 -35.811 -23.717 1.00 61.56 ? 94 ARG H CG 1 ATOM 4153 C CD . ARG C 3 97 ? -1.042 -37.236 -23.548 1.00 67.81 ? 94 ARG H CD 1 ATOM 4154 N NE . ARG C 3 97 ? -1.054 -37.658 -22.153 1.00 71.14 ? 94 ARG H NE 1 ATOM 4155 C CZ . ARG C 3 97 ? -0.997 -38.925 -21.763 1.00 77.18 ? 94 ARG H CZ 1 ATOM 4156 N NH1 . ARG C 3 97 ? -0.897 -39.894 -22.666 1.00 81.66 ? 94 ARG H NH1 1 ATOM 4157 N NH2 . ARG C 3 97 ? -1.029 -39.225 -20.475 1.00 80.19 ? 94 ARG H NH2 1 ATOM 4158 N N . HIS C 3 98 ? 0.492 -32.924 -22.864 1.00 52.71 ? 95 HIS H N 1 ATOM 4159 C CA . HIS C 3 98 ? 0.536 -32.220 -21.590 1.00 52.89 ? 95 HIS H CA 1 ATOM 4160 C C . HIS C 3 98 ? -0.186 -33.019 -20.529 1.00 54.39 ? 95 HIS H C 1 ATOM 4161 O O . HIS C 3 98 ? -1.410 -33.169 -20.552 1.00 57.98 ? 95 HIS H O 1 ATOM 4162 C CB . HIS C 3 98 ? -0.102 -30.835 -21.711 1.00 54.06 ? 95 HIS H CB 1 ATOM 4163 C CG . HIS C 3 98 ? -0.150 -30.078 -20.421 1.00 56.69 ? 95 HIS H CG 1 ATOM 4164 N ND1 . HIS C 3 98 ? 0.944 -29.417 -19.905 1.00 56.35 ? 95 HIS H ND1 1 ATOM 4165 C CD2 . HIS C 3 98 ? -1.163 -29.869 -19.547 1.00 61.03 ? 95 HIS H CD2 1 ATOM 4166 C CE1 . HIS C 3 98 ? 0.607 -28.833 -18.769 1.00 60.59 ? 95 HIS H CE1 1 ATOM 4167 N NE2 . HIS C 3 98 ? -0.666 -29.092 -18.528 1.00 62.26 ? 95 HIS H NE2 1 ATOM 4168 N N . PHE C 3 99 ? 0.597 -33.526 -19.593 1.00 52.83 ? 96 PHE H N 1 ATOM 4169 C CA . PHE C 3 99 ? 0.066 -34.224 -18.442 1.00 52.94 ? 96 PHE H CA 1 ATOM 4170 C C . PHE C 3 99 ? 0.356 -33.375 -17.221 1.00 52.85 ? 96 PHE H C 1 ATOM 4171 O O . PHE C 3 99 ? 1.495 -32.999 -16.960 1.00 52.55 ? 96 PHE H O 1 ATOM 4172 C CB . PHE C 3 99 ? 0.696 -35.606 -18.315 1.00 52.71 ? 96 PHE H CB 1 ATOM 4173 C CG . PHE C 3 99 ? -0.120 -36.565 -17.508 1.00 54.95 ? 96 PHE H CG 1 ATOM 4174 C CD1 . PHE C 3 99 ? -1.397 -36.912 -17.913 1.00 56.33 ? 96 PHE H CD1 1 ATOM 4175 C CD2 . PHE C 3 99 ? 0.384 -37.121 -16.344 1.00 57.49 ? 96 PHE H CD2 1 ATOM 4176 C CE1 . PHE C 3 99 ? -2.159 -37.795 -17.168 1.00 59.89 ? 96 PHE H CE1 1 ATOM 4177 C CE2 . PHE C 3 99 ? -0.374 -38.008 -15.594 1.00 59.15 ? 96 PHE H CE2 1 ATOM 4178 C CZ . PHE C 3 99 ? -1.645 -38.345 -16.009 1.00 61.21 ? 96 PHE H CZ 1 ATOM 4179 N N . TYR C 3 100 ? -0.705 -33.062 -16.497 1.00 54.62 ? 97 TYR H N 1 ATOM 4180 C CA . TYR C 3 100 ? -0.644 -32.191 -15.320 1.00 55.63 ? 97 TYR H CA 1 ATOM 4181 C C . TYR C 3 100 ? 0.221 -30.957 -15.518 1.00 54.75 ? 97 TYR H C 1 ATOM 4182 O O . TYR C 3 100 ? -0.266 -29.915 -15.943 1.00 56.08 ? 97 TYR H O 1 ATOM 4183 C CB . TYR C 3 100 ? -0.203 -32.978 -14.084 1.00 56.02 ? 97 TYR H CB 1 ATOM 4184 C CG . TYR C 3 100 ? -1.338 -33.828 -13.553 1.00 56.52 ? 97 TYR H CG 1 ATOM 4185 C CD1 . TYR C 3 100 ? -1.625 -35.068 -14.109 1.00 53.51 ? 97 TYR H CD1 1 ATOM 4186 C CD2 . TYR C 3 100 ? -2.155 -33.365 -12.531 1.00 57.48 ? 97 TYR H CD2 1 ATOM 4187 C CE1 . TYR C 3 100 ? -2.677 -35.828 -13.647 1.00 57.12 ? 97 TYR H CE1 1 ATOM 4188 C CE2 . TYR C 3 100 ? -3.209 -34.119 -12.063 1.00 60.60 ? 97 TYR H CE2 1 ATOM 4189 C CZ . TYR C 3 100 ? -3.470 -35.349 -12.623 1.00 60.57 ? 97 TYR H CZ 1 ATOM 4190 O OH . TYR C 3 100 ? -4.523 -36.105 -12.154 1.00 62.25 ? 97 TYR H OH 1 ATOM 4191 N N . THR C 3 101 ? 1.495 -31.071 -15.188 1.00 53.36 ? 98 THR H N 1 ATOM 4192 C CA . THR C 3 101 ? 2.384 -29.911 -15.222 1.00 52.91 ? 98 THR H CA 1 ATOM 4193 C C . THR C 3 101 ? 3.650 -30.191 -16.003 1.00 52.62 ? 98 THR H C 1 ATOM 4194 O O . THR C 3 101 ? 4.630 -29.457 -15.908 1.00 54.12 ? 98 THR H O 1 ATOM 4195 C CB . THR C 3 101 ? 2.760 -29.441 -13.799 1.00 54.67 ? 98 THR H CB 1 ATOM 4196 O OG1 . THR C 3 101 ? 3.531 -30.450 -13.133 1.00 53.18 ? 98 THR H OG1 1 ATOM 4197 C CG2 . THR C 3 101 ? 1.513 -29.138 -12.996 1.00 55.15 ? 98 THR H CG2 1 ATOM 4198 N N . TYR C 3 102 ? 3.617 -31.265 -16.779 1.00 51.98 ? 99 TYR H N 1 ATOM 4199 C CA . TYR C 3 102 ? 4.768 -31.650 -17.594 1.00 50.94 ? 99 TYR H CA 1 ATOM 4200 C C . TYR C 3 102 ? 4.408 -32.338 -18.899 1.00 50.32 ? 99 TYR H C 1 ATOM 4201 O O . TYR C 3 102 ? 3.240 -32.569 -19.205 1.00 50.35 ? 99 TYR H O 1 ATOM 4202 C CB . TYR C 3 102 ? 5.702 -32.547 -16.787 1.00 51.98 ? 99 TYR H CB 1 ATOM 4203 C CG . TYR C 3 102 ? 5.009 -33.718 -16.139 1.00 53.69 ? 99 TYR H CG 1 ATOM 4204 C CD1 . TYR C 3 102 ? 4.367 -33.577 -14.919 1.00 55.65 ? 99 TYR H CD1 1 ATOM 4205 C CD2 . TYR C 3 102 ? 5.004 -34.965 -16.742 1.00 55.66 ? 99 TYR H CD2 1 ATOM 4206 C CE1 . TYR C 3 102 ? 3.739 -34.643 -14.319 1.00 57.98 ? 99 TYR H CE1 1 ATOM 4207 C CE2 . TYR C 3 102 ? 4.375 -36.042 -16.147 1.00 58.13 ? 99 TYR H CE2 1 ATOM 4208 C CZ . TYR C 3 102 ? 3.745 -35.874 -14.937 1.00 58.34 ? 99 TYR H CZ 1 ATOM 4209 O OH . TYR C 3 102 ? 3.119 -36.940 -14.340 1.00 59.51 ? 99 TYR H OH 1 ATOM 4210 N N . PHE C 3 103 ? 5.454 -32.688 -19.637 1.00 50.81 ? 100 PHE H N 1 ATOM 4211 C CA . PHE C 3 103 ? 5.332 -33.200 -20.999 1.00 51.39 ? 100 PHE H CA 1 ATOM 4212 C C . PHE C 3 103 ? 5.609 -34.681 -21.031 1.00 51.98 ? 100 PHE H C 1 ATOM 4213 O O . PHE C 3 103 ? 6.709 -35.109 -21.368 1.00 52.16 ? 100 PHE H O 1 ATOM 4214 C CB . PHE C 3 103 ? 6.325 -32.495 -21.936 1.00 51.81 ? 100 PHE H CB 1 ATOM 4215 C CG . PHE C 3 103 ? 6.125 -31.005 -22.046 1.00 55.16 ? 100 PHE H CG 1 ATOM 4216 C CD1 . PHE C 3 103 ? 6.083 -30.205 -20.914 1.00 57.46 ? 100 PHE H CD1 1 ATOM 4217 C CD2 . PHE C 3 103 ? 6.017 -30.405 -23.287 1.00 58.01 ? 100 PHE H CD2 1 ATOM 4218 C CE1 . PHE C 3 103 ? 5.912 -28.843 -21.016 1.00 59.55 ? 100 PHE H CE1 1 ATOM 4219 C CE2 . PHE C 3 103 ? 5.849 -29.036 -23.396 1.00 62.28 ? 100 PHE H CE2 1 ATOM 4220 C CZ . PHE C 3 103 ? 5.793 -28.256 -22.255 1.00 62.28 ? 100 PHE H CZ 1 ATOM 4221 N N . ASP C 3 104 ? 4.595 -35.466 -20.696 1.00 53.41 ? 101 ASP H N 1 ATOM 4222 C CA . ASP C 3 104 ? 4.804 -36.908 -20.467 1.00 54.54 ? 101 ASP H CA 1 ATOM 4223 C C . ASP C 3 104 ? 5.199 -37.648 -21.744 1.00 53.93 ? 101 ASP H C 1 ATOM 4224 O O . ASP C 3 104 ? 6.145 -38.424 -21.746 1.00 54.66 ? 101 ASP H O 1 ATOM 4225 C CB . ASP C 3 104 ? 3.596 -37.573 -19.778 1.00 56.15 ? 101 ASP H CB 1 ATOM 4226 C CG . ASP C 3 104 ? 2.337 -37.557 -20.626 1.00 57.23 ? 101 ASP H CG 1 ATOM 4227 O OD1 . ASP C 3 104 ? 2.069 -36.524 -21.271 1.00 57.27 ? 101 ASP H OD1 1 ATOM 4228 O OD2 . ASP C 3 104 ? 1.600 -38.570 -20.618 1.00 59.95 ? 101 ASP H OD2 1 ATOM 4229 N N . VAL C 3 105 ? 4.489 -37.370 -22.829 1.00 53.05 ? 102 VAL H N 1 ATOM 4230 C CA . VAL C 3 105 ? 4.746 -38.035 -24.113 1.00 53.74 ? 102 VAL H CA 1 ATOM 4231 C C . VAL C 3 105 ? 5.098 -37.065 -25.241 1.00 52.82 ? 102 VAL H C 1 ATOM 4232 O O . VAL C 3 105 ? 4.467 -36.020 -25.427 1.00 52.12 ? 102 VAL H O 1 ATOM 4233 C CB . VAL C 3 105 ? 3.548 -38.911 -24.542 1.00 55.88 ? 102 VAL H CB 1 ATOM 4234 C CG1 . VAL C 3 105 ? 3.904 -39.752 -25.768 1.00 56.52 ? 102 VAL H CG1 1 ATOM 4235 C CG2 . VAL C 3 105 ? 3.119 -39.808 -23.400 1.00 55.62 ? 102 VAL H CG2 1 ATOM 4236 N N . TRP C 3 106 ? 6.123 -37.447 -25.993 1.00 53.12 ? 103 TRP H N 1 ATOM 4237 C CA . TRP C 3 106 ? 6.646 -36.631 -27.085 1.00 51.75 ? 103 TRP H CA 1 ATOM 4238 C C . TRP C 3 106 ? 6.562 -37.331 -28.429 1.00 52.60 ? 103 TRP H C 1 ATOM 4239 O O . TRP C 3 106 ? 6.569 -38.558 -28.525 1.00 53.66 ? 103 TRP H O 1 ATOM 4240 C CB . TRP C 3 106 ? 8.107 -36.266 -26.812 1.00 51.42 ? 103 TRP H CB 1 ATOM 4241 C CG . TRP C 3 106 ? 8.304 -35.325 -25.668 1.00 50.85 ? 103 TRP H CG 1 ATOM 4242 C CD1 . TRP C 3 106 ? 8.080 -35.583 -24.353 1.00 52.63 ? 103 TRP H CD1 1 ATOM 4243 C CD2 . TRP C 3 106 ? 8.789 -33.979 -25.737 1.00 52.51 ? 103 TRP H CD2 1 ATOM 4244 N NE1 . TRP C 3 106 ? 8.384 -34.480 -23.594 1.00 54.75 ? 103 TRP H NE1 1 ATOM 4245 C CE2 . TRP C 3 106 ? 8.823 -33.481 -24.421 1.00 54.37 ? 103 TRP H CE2 1 ATOM 4246 C CE3 . TRP C 3 106 ? 9.198 -33.146 -26.783 1.00 50.22 ? 103 TRP H CE3 1 ATOM 4247 C CZ2 . TRP C 3 106 ? 9.248 -32.187 -24.122 1.00 53.90 ? 103 TRP H CZ2 1 ATOM 4248 C CZ3 . TRP C 3 106 ? 9.618 -31.864 -26.484 1.00 49.06 ? 103 TRP H CZ3 1 ATOM 4249 C CH2 . TRP C 3 106 ? 9.642 -31.397 -25.167 1.00 51.11 ? 103 TRP H CH2 1 ATOM 4250 N N . GLY C 3 107 ? 6.488 -36.511 -29.467 1.00 52.10 ? 104 GLY H N 1 ATOM 4251 C CA . GLY C 3 107 ? 6.576 -36.982 -30.842 1.00 53.57 ? 104 GLY H CA 1 ATOM 4252 C C . GLY C 3 107 ? 8.007 -37.307 -31.219 1.00 54.55 ? 104 GLY H C 1 ATOM 4253 O O . GLY C 3 107 ? 8.952 -36.942 -30.519 1.00 53.22 ? 104 GLY H O 1 ATOM 4254 N N . GLN C 3 108 ? 8.150 -38.026 -32.323 1.00 56.85 ? 105 GLN H N 1 ATOM 4255 C CA . GLN C 3 108 ? 9.472 -38.376 -32.868 1.00 58.64 ? 105 GLN H CA 1 ATOM 4256 C C . GLN C 3 108 ? 10.192 -37.124 -33.330 1.00 56.53 ? 105 GLN H C 1 ATOM 4257 O O . GLN C 3 108 ? 11.418 -37.057 -33.368 1.00 56.69 ? 105 GLN H O 1 ATOM 4258 C CB . GLN C 3 108 ? 9.366 -39.372 -34.034 1.00 62.64 ? 105 GLN H CB 1 ATOM 4259 C CG . GLN C 3 108 ? 8.514 -38.898 -35.219 1.00 66.90 ? 105 GLN H CG 1 ATOM 4260 C CD . GLN C 3 108 ? 8.750 -39.711 -36.478 1.00 76.49 ? 105 GLN H CD 1 ATOM 4261 O OE1 . GLN C 3 108 ? 7.850 -40.395 -36.969 1.00 82.07 ? 105 GLN H OE1 1 ATOM 4262 N NE2 . GLN C 3 108 ? 9.971 -39.645 -37.005 1.00 80.48 ? 105 GLN H NE2 1 ATOM 4263 N N . GLY C 3 109 ? 9.391 -36.133 -33.680 1.00 55.29 ? 106 GLY H N 1 ATOM 4264 C CA . GLY C 3 109 ? 9.889 -34.845 -34.148 1.00 54.33 ? 106 GLY H CA 1 ATOM 4265 C C . GLY C 3 109 ? 9.966 -34.764 -35.651 1.00 56.10 ? 106 GLY H C 1 ATOM 4266 O O . GLY C 3 109 ? 9.961 -35.777 -36.353 1.00 59.92 ? 106 GLY H O 1 ATOM 4267 N N . ILE C 3 110 ? 10.037 -33.540 -36.144 1.00 54.83 ? 107 ILE H N 1 ATOM 4268 C CA . ILE C 3 110 ? 10.174 -33.315 -37.577 1.00 56.40 ? 107 ILE H CA 1 ATOM 4269 C C . ILE C 3 110 ? 11.133 -32.180 -37.875 1.00 55.62 ? 107 ILE H C 1 ATOM 4270 O O . ILE C 3 110 ? 10.966 -31.059 -37.394 1.00 53.43 ? 107 ILE H O 1 ATOM 4271 C CB . ILE C 3 110 ? 8.811 -33.040 -38.239 1.00 57.54 ? 107 ILE H CB 1 ATOM 4272 C CG1 . ILE C 3 110 ? 8.905 -33.306 -39.743 1.00 60.40 ? 107 ILE H CG1 1 ATOM 4273 C CG2 . ILE C 3 110 ? 8.334 -31.612 -37.941 1.00 54.31 ? 107 ILE H CG2 1 ATOM 4274 C CD1 . ILE C 3 110 ? 7.575 -33.234 -40.460 1.00 62.98 ? 107 ILE H CD1 1 ATOM 4275 N N . GLN C 3 111 ? 12.139 -32.498 -38.676 1.00 57.27 ? 108 GLN H N 1 ATOM 4276 C CA . GLN C 3 111 ? 13.130 -31.511 -39.100 1.00 58.23 ? 108 GLN H CA 1 ATOM 4277 C C . GLN C 3 111 ? 12.551 -30.678 -40.225 1.00 58.75 ? 108 GLN H C 1 ATOM 4278 O O . GLN C 3 111 ? 11.992 -31.203 -41.191 1.00 61.11 ? 108 GLN H O 1 ATOM 4279 C CB . GLN C 3 111 ? 14.439 -32.179 -39.537 1.00 60.55 ? 108 GLN H CB 1 ATOM 4280 C CG . GLN C 3 111 ? 15.618 -31.226 -39.553 1.00 64.82 ? 108 GLN H CG 1 ATOM 4281 C CD . GLN C 3 111 ? 16.904 -31.902 -39.988 1.00 74.47 ? 108 GLN H CD 1 ATOM 4282 O OE1 . GLN C 3 111 ? 16.967 -33.126 -40.106 1.00 80.49 ? 108 GLN H OE1 1 ATOM 4283 N NE2 . GLN C 3 111 ? 17.940 -31.107 -40.221 1.00 80.31 ? 108 GLN H NE2 1 ATOM 4284 N N . VAL C 3 112 ? 12.674 -29.368 -40.076 1.00 57.35 ? 109 VAL H N 1 ATOM 4285 C CA . VAL C 3 112 ? 12.166 -28.435 -41.077 1.00 57.95 ? 109 VAL H CA 1 ATOM 4286 C C . VAL C 3 112 ? 13.173 -27.352 -41.416 1.00 59.26 ? 109 VAL H C 1 ATOM 4287 O O . VAL C 3 112 ? 13.360 -26.397 -40.663 1.00 58.91 ? 109 VAL H O 1 ATOM 4288 C CB . VAL C 3 112 ? 10.876 -27.768 -40.603 1.00 56.27 ? 109 VAL H CB 1 ATOM 4289 C CG1 . VAL C 3 112 ? 10.419 -26.718 -41.607 1.00 57.51 ? 109 VAL H CG1 1 ATOM 4290 C CG2 . VAL C 3 112 ? 9.808 -28.810 -40.398 1.00 55.69 ? 109 VAL H CG2 1 ATOM 4291 N N . THR C 3 113 ? 13.802 -27.513 -42.571 1.00 60.71 ? 110 THR H N 1 ATOM 4292 C CA . THR C 3 113 ? 14.760 -26.533 -43.073 1.00 62.58 ? 110 THR H CA 1 ATOM 4293 C C . THR C 3 113 ? 14.045 -25.424 -43.815 1.00 63.35 ? 110 THR H C 1 ATOM 4294 O O . THR C 3 113 ? 13.173 -25.668 -44.639 1.00 63.46 ? 110 THR H O 1 ATOM 4295 C CB . THR C 3 113 ? 15.808 -27.173 -44.024 1.00 65.01 ? 110 THR H CB 1 ATOM 4296 O OG1 . THR C 3 113 ? 16.505 -28.224 -43.343 1.00 65.27 ? 110 THR H OG1 1 ATOM 4297 C CG2 . THR C 3 113 ? 16.810 -26.136 -44.498 1.00 66.16 ? 110 THR H CG2 1 ATOM 4298 N N . VAL C 3 114 ? 14.432 -24.197 -43.498 1.00 64.69 ? 111 VAL H N 1 ATOM 4299 C CA . VAL C 3 114 ? 13.981 -23.025 -44.242 1.00 67.85 ? 111 VAL H CA 1 ATOM 4300 C C . VAL C 3 114 ? 15.140 -22.430 -45.037 1.00 71.55 ? 111 VAL H C 1 ATOM 4301 O O . VAL C 3 114 ? 15.995 -21.722 -44.503 1.00 72.70 ? 111 VAL H O 1 ATOM 4302 C CB . VAL C 3 114 ? 13.373 -21.955 -43.316 1.00 67.65 ? 111 VAL H CB 1 ATOM 4303 C CG1 . VAL C 3 114 ? 12.960 -20.734 -44.127 1.00 70.73 ? 111 VAL H CG1 1 ATOM 4304 C CG2 . VAL C 3 114 ? 12.185 -22.524 -42.561 1.00 64.24 ? 111 VAL H CG2 1 ATOM 4305 N N . SER C 3 115 ? 15.159 -22.742 -46.325 1.00 73.98 ? 112 SER H N 1 ATOM 4306 C CA . SER C 3 115 ? 16.226 -22.286 -47.213 1.00 78.04 ? 112 SER H CA 1 ATOM 4307 C C . SER C 3 115 ? 15.729 -21.886 -48.590 1.00 81.61 ? 112 SER H C 1 ATOM 4308 O O . SER C 3 115 ? 14.645 -22.271 -49.034 1.00 81.10 ? 112 SER H O 1 ATOM 4309 C CB . SER C 3 115 ? 17.296 -23.372 -47.358 1.00 78.56 ? 112 SER H CB 1 ATOM 4310 O OG . SER C 3 115 ? 18.428 -22.887 -48.067 1.00 82.28 ? 112 SER H OG 1 ATOM 4311 N N . SER C 3 116 ? 16.563 -21.105 -49.256 1.00 85.85 ? 113 SER H N 1 ATOM 4312 C CA . SER C 3 116 ? 16.302 -20.678 -50.629 1.00 90.42 ? 113 SER H CA 1 ATOM 4313 C C . SER C 3 116 ? 16.468 -21.869 -51.558 1.00 91.81 ? 113 SER H C 1 ATOM 4314 O O . SER C 3 116 ? 15.720 -22.049 -52.522 1.00 93.52 ? 113 SER H O 1 ATOM 4315 C CB . SER C 3 116 ? 17.261 -19.555 -51.041 1.00 94.51 ? 113 SER H CB 1 ATOM 4316 O OG . SER C 3 116 ? 17.312 -18.541 -50.050 1.00 94.74 ? 113 SER H OG 1 ATOM 4317 N N . ALA C 3 117 ? 17.454 -22.689 -51.220 1.00 89.10 ? 114 ALA H N 1 ATOM 4318 C CA . ALA C 3 117 ? 17.826 -23.863 -52.026 1.00 87.95 ? 114 ALA H CA 1 ATOM 4319 C C . ALA C 3 117 ? 16.643 -24.740 -52.406 1.00 87.37 ? 114 ALA H C 1 ATOM 4320 O O . ALA C 3 117 ? 15.772 -25.049 -51.594 1.00 86.46 ? 114 ALA H O 1 ATOM 4321 C CB . ALA C 3 117 ? 18.892 -24.704 -51.306 1.00 85.36 ? 114 ALA H CB 1 ATOM 4322 N N . THR C 3 118 ? 16.643 -25.130 -53.672 1.00 89.30 ? 115 THR H N 1 ATOM 4323 C CA . THR C 3 118 ? 15.679 -26.098 -54.207 1.00 89.52 ? 115 THR H CA 1 ATOM 4324 C C . THR C 3 118 ? 15.940 -27.475 -53.618 1.00 86.31 ? 115 THR H C 1 ATOM 4325 O O . THR C 3 118 ? 17.057 -27.795 -53.206 1.00 85.04 ? 115 THR H O 1 ATOM 4326 C CB . THR C 3 118 ? 15.732 -26.185 -55.764 1.00 92.18 ? 115 THR H CB 1 ATOM 4327 O OG1 . THR C 3 118 ? 14.742 -27.109 -56.232 1.00 93.55 ? 115 THR H OG1 1 ATOM 4328 C CG2 . THR C 3 118 ? 17.112 -26.636 -56.253 1.00 91.35 ? 115 THR H CG2 1 ATOM 4329 N N . THR C 3 119 ? 14.891 -28.279 -53.568 1.00 85.84 ? 116 THR H N 1 ATOM 4330 C CA . THR C 3 119 ? 15.001 -29.648 -53.067 1.00 83.81 ? 116 THR H CA 1 ATOM 4331 C C . THR C 3 119 ? 15.746 -30.516 -54.061 1.00 83.44 ? 116 THR H C 1 ATOM 4332 O O . THR C 3 119 ? 15.553 -30.412 -55.274 1.00 86.67 ? 116 THR H O 1 ATOM 4333 C CB . THR C 3 119 ? 13.621 -30.277 -52.798 1.00 84.54 ? 116 THR H CB 1 ATOM 4334 O OG1 . THR C 3 119 ? 12.845 -29.393 -51.982 1.00 87.98 ? 116 THR H OG1 1 ATOM 4335 C CG2 . THR C 3 119 ? 13.761 -31.621 -52.091 1.00 81.62 ? 116 THR H CG2 1 ATOM 4336 N N . THR C 3 120 ? 16.604 -31.370 -53.522 1.00 80.40 ? 117 THR H N 1 ATOM 4337 C CA . THR C 3 120 ? 17.369 -32.318 -54.324 1.00 80.06 ? 117 THR H CA 1 ATOM 4338 C C . THR C 3 120 ? 17.198 -33.740 -53.816 1.00 78.48 ? 117 THR H C 1 ATOM 4339 O O . THR C 3 120 ? 17.389 -34.026 -52.630 1.00 76.38 ? 117 THR H O 1 ATOM 4340 C CB . THR C 3 120 ? 18.867 -31.974 -54.317 1.00 79.91 ? 117 THR H CB 1 ATOM 4341 O OG1 . THR C 3 120 ? 19.044 -30.597 -54.672 1.00 81.51 ? 117 THR H OG1 1 ATOM 4342 C CG2 . THR C 3 120 ? 19.630 -32.864 -55.292 1.00 79.99 ? 117 THR H CG2 1 ATOM 4343 N N . ALA C 3 121 ? 16.838 -34.622 -54.740 1.00 79.88 ? 118 ALA H N 1 ATOM 4344 C CA . ALA C 3 121 ? 16.638 -36.042 -54.432 1.00 78.82 ? 118 ALA H CA 1 ATOM 4345 C C . ALA C 3 121 ? 17.978 -36.766 -54.360 1.00 77.81 ? 118 ALA H C 1 ATOM 4346 O O . ALA C 3 121 ? 18.919 -36.409 -55.064 1.00 79.06 ? 118 ALA H O 1 ATOM 4347 C CB . ALA C 3 121 ? 15.740 -36.703 -55.470 1.00 80.98 ? 118 ALA H CB 1 ATOM 4348 N N . PRO C 3 122 ? 18.075 -37.784 -53.497 1.00 76.38 ? 119 PRO H N 1 ATOM 4349 C CA . PRO C 3 122 ? 19.315 -38.532 -53.455 1.00 75.47 ? 119 PRO H CA 1 ATOM 4350 C C . PRO C 3 122 ? 19.387 -39.559 -54.556 1.00 76.94 ? 119 PRO H C 1 ATOM 4351 O O . PRO C 3 122 ? 18.366 -40.059 -55.024 1.00 78.83 ? 119 PRO H O 1 ATOM 4352 C CB . PRO C 3 122 ? 19.249 -39.241 -52.102 1.00 73.81 ? 119 PRO H CB 1 ATOM 4353 C CG . PRO C 3 122 ? 17.797 -39.428 -51.849 1.00 74.35 ? 119 PRO H CG 1 ATOM 4354 C CD . PRO C 3 122 ? 17.108 -38.249 -52.485 1.00 76.03 ? 119 PRO H CD 1 ATOM 4355 N N . SER C 3 123 ? 20.608 -39.852 -54.962 1.00 77.12 ? 120 SER H N 1 ATOM 4356 C CA . SER C 3 123 ? 20.883 -41.010 -55.794 1.00 78.49 ? 120 SER H CA 1 ATOM 4357 C C . SER C 3 123 ? 21.333 -42.123 -54.867 1.00 77.05 ? 120 SER H C 1 ATOM 4358 O O . SER C 3 123 ? 22.211 -41.937 -54.021 1.00 77.01 ? 120 SER H O 1 ATOM 4359 C CB . SER C 3 123 ? 21.962 -40.705 -56.829 1.00 80.74 ? 120 SER H CB 1 ATOM 4360 O OG . SER C 3 123 ? 21.585 -39.601 -57.630 1.00 83.29 ? 120 SER H OG 1 ATOM 4361 N N . VAL C 3 124 ? 20.699 -43.275 -55.014 1.00 76.97 ? 121 VAL H N 1 ATOM 4362 C CA . VAL C 3 124 ? 20.975 -44.419 -54.159 1.00 75.32 ? 121 VAL H CA 1 ATOM 4363 C C . VAL C 3 124 ? 21.822 -45.437 -54.895 1.00 76.74 ? 121 VAL H C 1 ATOM 4364 O O . VAL C 3 124 ? 21.420 -45.995 -55.920 1.00 79.70 ? 121 VAL H O 1 ATOM 4365 C CB . VAL C 3 124 ? 19.677 -45.075 -53.670 1.00 75.09 ? 121 VAL H CB 1 ATOM 4366 C CG1 . VAL C 3 124 ? 19.984 -46.331 -52.867 1.00 73.91 ? 121 VAL H CG1 1 ATOM 4367 C CG2 . VAL C 3 124 ? 18.875 -44.080 -52.844 1.00 73.58 ? 121 VAL H CG2 1 ATOM 4368 N N . TYR C 3 125 ? 23.011 -45.656 -54.358 1.00 74.85 ? 122 TYR H N 1 ATOM 4369 C CA . TYR C 3 125 ? 23.953 -46.596 -54.934 1.00 76.47 ? 122 TYR H CA 1 ATOM 4370 C C . TYR C 3 125 ? 24.259 -47.709 -53.933 1.00 75.51 ? 122 TYR H C 1 ATOM 4371 O O . TYR C 3 125 ? 24.429 -47.454 -52.744 1.00 73.43 ? 122 TYR H O 1 ATOM 4372 C CB . TYR C 3 125 ? 25.232 -45.871 -55.364 1.00 77.52 ? 122 TYR H CB 1 ATOM 4373 C CG . TYR C 3 125 ? 24.993 -44.779 -56.388 1.00 77.44 ? 122 TYR H CG 1 ATOM 4374 C CD1 . TYR C 3 125 ? 24.660 -45.093 -57.698 1.00 81.79 ? 122 TYR H CD1 1 ATOM 4375 C CD2 . TYR C 3 125 ? 25.097 -43.438 -56.045 1.00 74.82 ? 122 TYR H CD2 1 ATOM 4376 C CE1 . TYR C 3 125 ? 24.438 -44.100 -58.644 1.00 82.58 ? 122 TYR H CE1 1 ATOM 4377 C CE2 . TYR C 3 125 ? 24.875 -42.437 -56.980 1.00 76.12 ? 122 TYR H CE2 1 ATOM 4378 C CZ . TYR C 3 125 ? 24.547 -42.774 -58.281 1.00 80.38 ? 122 TYR H CZ 1 ATOM 4379 O OH . TYR C 3 125 ? 24.326 -41.791 -59.224 1.00 78.71 ? 122 TYR H OH 1 ATOM 4380 N N . PRO C 3 126 ? 24.309 -48.959 -54.414 1.00 77.54 ? 123 PRO H N 1 ATOM 4381 C CA . PRO C 3 126 ? 24.584 -50.080 -53.531 1.00 77.29 ? 123 PRO H CA 1 ATOM 4382 C C . PRO C 3 126 ? 26.065 -50.296 -53.321 1.00 78.09 ? 123 PRO H C 1 ATOM 4383 O O . PRO C 3 126 ? 26.883 -49.918 -54.157 1.00 79.89 ? 123 PRO H O 1 ATOM 4384 C CB . PRO C 3 126 ? 23.987 -51.262 -54.290 1.00 79.91 ? 123 PRO H CB 1 ATOM 4385 C CG . PRO C 3 126 ? 24.162 -50.895 -55.722 1.00 81.58 ? 123 PRO H CG 1 ATOM 4386 C CD . PRO C 3 126 ? 24.032 -49.400 -55.795 1.00 80.26 ? 123 PRO H CD 1 ATOM 4387 N N . LEU C 3 127 ? 26.390 -50.906 -52.193 1.00 77.25 ? 124 LEU H N 1 ATOM 4388 C CA . LEU C 3 127 ? 27.774 -51.206 -51.848 1.00 78.48 ? 124 LEU H CA 1 ATOM 4389 C C . LEU C 3 127 ? 27.922 -52.662 -51.464 1.00 80.25 ? 124 LEU H C 1 ATOM 4390 O O . LEU C 3 127 ? 27.307 -53.141 -50.513 1.00 79.12 ? 124 LEU H O 1 ATOM 4391 C CB . LEU C 3 127 ? 28.251 -50.317 -50.695 1.00 76.65 ? 124 LEU H CB 1 ATOM 4392 C CG . LEU C 3 127 ? 28.682 -48.889 -51.021 1.00 75.41 ? 124 LEU H CG 1 ATOM 4393 C CD1 . LEU C 3 127 ? 27.545 -48.074 -51.605 1.00 75.04 ? 124 LEU H CD1 1 ATOM 4394 C CD2 . LEU C 3 127 ? 29.210 -48.239 -49.762 1.00 73.59 ? 124 LEU H CD2 1 ATOM 4395 N N . ALA C 3 128 ? 28.746 -53.358 -52.229 1.00 83.88 ? 125 ALA H N 1 ATOM 4396 C CA . ALA C 3 128 ? 29.057 -54.752 -51.955 1.00 86.93 ? 125 ALA H CA 1 ATOM 4397 C C . ALA C 3 128 ? 30.570 -54.952 -51.905 1.00 90.30 ? 125 ALA H C 1 ATOM 4398 O O . ALA C 3 128 ? 31.317 -54.201 -52.530 1.00 91.39 ? 125 ALA H O 1 ATOM 4399 C CB . ALA C 3 128 ? 28.436 -55.648 -53.017 1.00 89.29 ? 125 ALA H CB 1 ATOM 4400 N N . PRO C 3 129 ? 31.026 -55.964 -51.156 1.00 92.93 ? 126 PRO H N 1 ATOM 4401 C CA . PRO C 3 129 ? 32.454 -56.279 -51.133 1.00 96.91 ? 126 PRO H CA 1 ATOM 4402 C C . PRO C 3 129 ? 33.005 -56.560 -52.520 1.00 100.92 ? 126 PRO H C 1 ATOM 4403 O O . PRO C 3 129 ? 32.267 -56.940 -53.435 1.00 101.55 ? 126 PRO H O 1 ATOM 4404 C CB . PRO C 3 129 ? 32.527 -57.543 -50.267 1.00 98.75 ? 126 PRO H CB 1 ATOM 4405 C CG . PRO C 3 129 ? 31.272 -57.541 -49.454 1.00 95.46 ? 126 PRO H CG 1 ATOM 4406 C CD . PRO C 3 129 ? 30.236 -56.853 -50.284 1.00 92.31 ? 126 PRO H CD 1 ATOM 4407 N N . ALA C 3 130 ? 34.307 -56.360 -52.659 1.00 104.42 ? 127 ALA H N 1 ATOM 4408 C CA . ALA C 3 130 ? 34.997 -56.638 -53.922 1.00 109.16 ? 127 ALA H CA 1 ATOM 4409 C C . ALA C 3 130 ? 36.517 -56.538 -53.801 1.00 113.22 ? 127 ALA H C 1 ATOM 4410 O O . ALA C 3 130 ? 37.077 -55.441 -53.794 1.00 113.53 ? 127 ALA H O 1 ATOM 4411 C CB . ALA C 3 130 ? 34.488 -55.700 -55.012 1.00 108.50 ? 127 ALA H CB 1 ATOM 4412 N N . ASN C 3 139 ? 31.740 -67.011 -40.737 1.00 126.55 ? 136 ASN H N 1 ATOM 4413 C CA . ASN C 3 139 ? 32.056 -65.751 -41.396 1.00 122.62 ? 136 ASN H CA 1 ATOM 4414 C C . ASN C 3 139 ? 30.809 -64.915 -41.614 1.00 117.85 ? 136 ASN H C 1 ATOM 4415 O O . ASN C 3 139 ? 29.692 -65.429 -41.706 1.00 118.01 ? 136 ASN H O 1 ATOM 4416 C CB . ASN C 3 139 ? 32.755 -66.007 -42.735 1.00 123.55 ? 136 ASN H CB 1 ATOM 4417 C CG . ASN C 3 139 ? 33.455 -64.770 -43.278 1.00 120.98 ? 136 ASN H CG 1 ATOM 4418 O OD1 . ASN C 3 139 ? 33.528 -63.737 -42.612 1.00 119.47 ? 136 ASN H OD1 1 ATOM 4419 N ND2 . ASN C 3 139 ? 33.982 -64.876 -44.493 1.00 121.29 ? 136 ASN H ND2 1 ATOM 4420 N N . THR C 3 140 ? 31.031 -63.612 -41.694 1.00 114.02 ? 137 THR H N 1 ATOM 4421 C CA . THR C 3 140 ? 29.947 -62.647 -41.876 1.00 109.28 ? 137 THR H CA 1 ATOM 4422 C C . THR C 3 140 ? 30.322 -61.581 -42.892 1.00 105.72 ? 137 THR H C 1 ATOM 4423 O O . THR C 3 140 ? 31.483 -61.191 -43.007 1.00 106.36 ? 137 THR H O 1 ATOM 4424 C CB . THR C 3 140 ? 29.563 -61.974 -40.540 1.00 108.72 ? 137 THR H CB 1 ATOM 4425 O OG1 . THR C 3 140 ? 30.657 -61.181 -40.062 1.00 108.97 ? 137 THR H OG1 1 ATOM 4426 C CG2 . THR C 3 140 ? 29.201 -63.024 -39.490 1.00 112.81 ? 137 THR H CG2 1 ATOM 4427 N N . VAL C 3 141 ? 29.316 -61.125 -43.627 1.00 102.57 ? 138 VAL H N 1 ATOM 4428 C CA . VAL C 3 141 ? 29.510 -60.136 -44.692 1.00 99.86 ? 138 VAL H CA 1 ATOM 4429 C C . VAL C 3 141 ? 28.769 -58.840 -44.409 1.00 95.54 ? 138 VAL H C 1 ATOM 4430 O O . VAL C 3 141 ? 27.633 -58.831 -43.930 1.00 93.83 ? 138 VAL H O 1 ATOM 4431 C CB . VAL C 3 141 ? 29.084 -60.679 -46.090 1.00 100.64 ? 138 VAL H CB 1 ATOM 4432 C CG1 . VAL C 3 141 ? 29.829 -61.969 -46.418 1.00 104.39 ? 138 VAL H CG1 1 ATOM 4433 C CG2 . VAL C 3 141 ? 27.571 -60.890 -46.167 1.00 99.58 ? 138 VAL H CG2 1 ATOM 4434 N N . THR C 3 142 ? 29.449 -57.746 -44.717 1.00 93.96 ? 139 THR H N 1 ATOM 4435 C CA . THR C 3 142 ? 28.906 -56.410 -44.520 1.00 90.84 ? 139 THR H CA 1 ATOM 4436 C C . THR C 3 142 ? 28.560 -55.767 -45.851 1.00 89.06 ? 139 THR H C 1 ATOM 4437 O O . THR C 3 142 ? 29.415 -55.590 -46.726 1.00 89.98 ? 139 THR H O 1 ATOM 4438 C CB . THR C 3 142 ? 29.896 -55.502 -43.772 1.00 90.82 ? 139 THR H CB 1 ATOM 4439 O OG1 . THR C 3 142 ? 30.437 -56.203 -42.646 1.00 94.64 ? 139 THR H OG1 1 ATOM 4440 C CG2 . THR C 3 142 ? 29.202 -54.240 -43.295 1.00 87.45 ? 139 THR H CG2 1 ATOM 4441 N N . LEU C 3 143 ? 27.286 -55.423 -45.979 1.00 86.70 ? 140 LEU H N 1 ATOM 4442 C CA . LEU C 3 143 ? 26.762 -54.771 -47.173 1.00 85.09 ? 140 LEU H CA 1 ATOM 4443 C C . LEU C 3 143 ? 26.538 -53.306 -46.885 1.00 82.63 ? 140 LEU H C 1 ATOM 4444 O O . LEU C 3 143 ? 26.655 -52.865 -45.746 1.00 82.63 ? 140 LEU H O 1 ATOM 4445 C CB . LEU C 3 143 ? 25.443 -55.405 -47.599 1.00 85.68 ? 140 LEU H CB 1 ATOM 4446 C CG . LEU C 3 143 ? 25.470 -56.932 -47.679 1.00 88.21 ? 140 LEU H CG 1 ATOM 4447 C CD1 . LEU C 3 143 ? 24.062 -57.495 -47.641 1.00 89.19 ? 140 LEU H CD1 1 ATOM 4448 C CD2 . LEU C 3 143 ? 26.216 -57.393 -48.924 1.00 90.56 ? 140 LEU H CD2 1 ATOM 4449 N N . GLY C 3 144 ? 26.176 -52.564 -47.922 1.00 81.59 ? 141 GLY H N 1 ATOM 4450 C CA . GLY C 3 144 ? 26.105 -51.107 -47.822 1.00 79.69 ? 141 GLY H CA 1 ATOM 4451 C C . GLY C 3 144 ? 25.190 -50.406 -48.800 1.00 78.62 ? 141 GLY H C 1 ATOM 4452 O O . GLY C 3 144 ? 24.782 -50.954 -49.823 1.00 79.18 ? 141 GLY H O 1 ATOM 4453 N N . CYS C 3 145 ? 24.882 -49.168 -48.447 1.00 77.40 ? 142 CYS H N 1 ATOM 4454 C CA . CYS C 3 145 ? 24.003 -48.310 -49.234 1.00 77.18 ? 142 CYS H CA 1 ATOM 4455 C C . CYS C 3 145 ? 24.506 -46.873 -49.203 1.00 76.07 ? 142 CYS H C 1 ATOM 4456 O O . CYS C 3 145 ? 24.718 -46.304 -48.135 1.00 75.59 ? 142 CYS H O 1 ATOM 4457 C CB . CYS C 3 145 ? 22.587 -48.378 -48.660 1.00 76.80 ? 142 CYS H CB 1 ATOM 4458 S SG . CYS C 3 145 ? 21.259 -48.065 -49.830 1.00 81.95 ? 142 CYS H SG 1 ATOM 4459 N N . LEU C 3 146 ? 24.708 -46.301 -50.380 1.00 76.46 ? 143 LEU H N 1 ATOM 4460 C CA . LEU C 3 146 ? 25.221 -44.937 -50.491 1.00 76.41 ? 143 LEU H CA 1 ATOM 4461 C C . LEU C 3 146 ? 24.142 -43.985 -50.972 1.00 75.76 ? 143 LEU H C 1 ATOM 4462 O O . LEU C 3 146 ? 23.849 -43.903 -52.163 1.00 77.58 ? 143 LEU H O 1 ATOM 4463 C CB . LEU C 3 146 ? 26.415 -44.889 -51.447 1.00 78.64 ? 143 LEU H CB 1 ATOM 4464 C CG . LEU C 3 146 ? 27.400 -43.722 -51.299 1.00 79.85 ? 143 LEU H CG 1 ATOM 4465 C CD1 . LEU C 3 146 ? 27.915 -43.301 -52.669 1.00 82.10 ? 143 LEU H CD1 1 ATOM 4466 C CD2 . LEU C 3 146 ? 26.770 -42.539 -50.591 1.00 78.91 ? 143 LEU H CD2 1 ATOM 4467 N N . VAL C 3 147 ? 23.569 -43.254 -50.028 1.00 74.14 ? 144 VAL H N 1 ATOM 4468 C CA . VAL C 3 147 ? 22.536 -42.267 -50.339 1.00 73.82 ? 144 VAL H CA 1 ATOM 4469 C C . VAL C 3 147 ? 23.188 -40.913 -50.547 1.00 74.44 ? 144 VAL H C 1 ATOM 4470 O O . VAL C 3 147 ? 23.490 -40.200 -49.593 1.00 73.79 ? 144 VAL H O 1 ATOM 4471 C CB . VAL C 3 147 ? 21.484 -42.182 -49.225 1.00 72.77 ? 144 VAL H CB 1 ATOM 4472 C CG1 . VAL C 3 147 ? 20.393 -41.192 -49.605 1.00 72.59 ? 144 VAL H CG1 1 ATOM 4473 C CG2 . VAL C 3 147 ? 20.897 -43.560 -48.954 1.00 71.26 ? 144 VAL H CG2 1 ATOM 4474 N N . LYS C 3 148 ? 23.386 -40.571 -51.814 1.00 76.37 ? 145 LYS H N 1 ATOM 4475 C CA . LYS C 3 148 ? 24.249 -39.451 -52.196 1.00 77.88 ? 145 LYS H CA 1 ATOM 4476 C C . LYS C 3 148 ? 23.528 -38.298 -52.869 1.00 77.89 ? 145 LYS H C 1 ATOM 4477 O O . LYS C 3 148 ? 22.740 -38.484 -53.792 1.00 78.48 ? 145 LYS H O 1 ATOM 4478 C CB . LYS C 3 148 ? 25.357 -39.963 -53.124 1.00 80.35 ? 145 LYS H CB 1 ATOM 4479 C CG . LYS C 3 148 ? 26.318 -38.885 -53.634 1.00 84.67 ? 145 LYS H CG 1 ATOM 4480 C CD . LYS C 3 148 ? 27.186 -39.410 -54.782 1.00 88.74 ? 145 LYS H CD 1 ATOM 4481 C CE . LYS C 3 148 ? 27.800 -38.284 -55.608 1.00 91.71 ? 145 LYS H CE 1 ATOM 4482 N NZ . LYS C 3 148 ? 28.440 -38.793 -56.857 1.00 95.61 ? 145 LYS H NZ 1 ATOM 4483 N N . GLY C 3 149 ? 23.830 -37.102 -52.375 1.00 77.49 ? 146 GLY H N 1 ATOM 4484 C CA . GLY C 3 149 ? 23.488 -35.845 -53.046 1.00 78.33 ? 146 GLY H CA 1 ATOM 4485 C C . GLY C 3 149 ? 22.059 -35.381 -52.888 1.00 77.25 ? 146 GLY H C 1 ATOM 4486 O O . GLY C 3 149 ? 21.380 -35.081 -53.870 1.00 79.23 ? 146 GLY H O 1 ATOM 4487 N N . TYR C 3 150 ? 21.611 -35.299 -51.645 1.00 75.16 ? 147 TYR H N 1 ATOM 4488 C CA . TYR C 3 150 ? 20.250 -34.828 -51.347 1.00 74.67 ? 147 TYR H CA 1 ATOM 4489 C C . TYR C 3 150 ? 20.218 -33.557 -50.524 1.00 74.59 ? 147 TYR H C 1 ATOM 4490 O O . TYR C 3 150 ? 21.187 -33.179 -49.869 1.00 75.30 ? 147 TYR H O 1 ATOM 4491 C CB . TYR C 3 150 ? 19.440 -35.904 -50.620 1.00 73.21 ? 147 TYR H CB 1 ATOM 4492 C CG . TYR C 3 150 ? 19.986 -36.268 -49.257 1.00 71.99 ? 147 TYR H CG 1 ATOM 4493 C CD1 . TYR C 3 150 ? 19.573 -35.597 -48.117 1.00 71.05 ? 147 TYR H CD1 1 ATOM 4494 C CD2 . TYR C 3 150 ? 20.925 -37.281 -49.117 1.00 72.67 ? 147 TYR H CD2 1 ATOM 4495 C CE1 . TYR C 3 150 ? 20.075 -35.933 -46.871 1.00 72.25 ? 147 TYR H CE1 1 ATOM 4496 C CE2 . TYR C 3 150 ? 21.432 -37.623 -47.880 1.00 72.31 ? 147 TYR H CE2 1 ATOM 4497 C CZ . TYR C 3 150 ? 21.007 -36.948 -46.759 1.00 71.86 ? 147 TYR H CZ 1 ATOM 4498 O OH . TYR C 3 150 ? 21.519 -37.293 -45.526 1.00 70.59 ? 147 TYR H OH 1 ATOM 4499 N N . PHE C 3 151 ? 19.069 -32.906 -50.584 1.00 74.63 ? 148 PHE H N 1 ATOM 4500 C CA . PHE C 3 151 ? 18.801 -31.729 -49.764 1.00 75.32 ? 148 PHE H CA 1 ATOM 4501 C C . PHE C 3 151 ? 17.303 -31.474 -49.631 1.00 77.14 ? 148 PHE H C 1 ATOM 4502 O O . PHE C 3 151 ? 16.592 -31.469 -50.630 1.00 78.94 ? 148 PHE H O 1 ATOM 4503 C CB . PHE C 3 151 ? 19.473 -30.502 -50.364 1.00 76.54 ? 148 PHE H CB 1 ATOM 4504 C CG . PHE C 3 151 ? 19.326 -29.269 -49.526 1.00 76.58 ? 148 PHE H CG 1 ATOM 4505 C CD1 . PHE C 3 151 ? 20.234 -28.991 -48.518 1.00 77.08 ? 148 PHE H CD1 1 ATOM 4506 C CD2 . PHE C 3 151 ? 18.279 -28.388 -49.741 1.00 77.40 ? 148 PHE H CD2 1 ATOM 4507 C CE1 . PHE C 3 151 ? 20.101 -27.853 -47.736 1.00 78.89 ? 148 PHE H CE1 1 ATOM 4508 C CE2 . PHE C 3 151 ? 18.141 -27.250 -48.966 1.00 79.80 ? 148 PHE H CE2 1 ATOM 4509 C CZ . PHE C 3 151 ? 19.055 -26.983 -47.959 1.00 79.88 ? 148 PHE H CZ 1 ATOM 4510 N N . PRO C 3 152 ? 16.822 -31.235 -48.400 1.00 78.03 ? 149 PRO H N 1 ATOM 4511 C CA . PRO C 3 152 ? 17.598 -31.138 -47.171 1.00 78.29 ? 149 PRO H CA 1 ATOM 4512 C C . PRO C 3 152 ? 17.563 -32.423 -46.369 1.00 77.43 ? 149 PRO H C 1 ATOM 4513 O O . PRO C 3 152 ? 17.209 -33.477 -46.895 1.00 76.98 ? 149 PRO H O 1 ATOM 4514 C CB . PRO C 3 152 ? 16.874 -30.032 -46.403 1.00 80.14 ? 149 PRO H CB 1 ATOM 4515 C CG . PRO C 3 152 ? 15.422 -30.110 -46.893 1.00 80.80 ? 149 PRO H CG 1 ATOM 4516 C CD . PRO C 3 152 ? 15.400 -30.945 -48.158 1.00 79.25 ? 149 PRO H CD 1 ATOM 4517 N N . GLU C 3 153 ? 17.931 -32.313 -45.099 1.00 78.09 ? 150 GLU H N 1 ATOM 4518 C CA . GLU C 3 153 ? 17.773 -33.417 -44.151 1.00 78.49 ? 150 GLU H CA 1 ATOM 4519 C C . GLU C 3 153 ? 16.288 -33.550 -43.840 1.00 79.52 ? 150 GLU H C 1 ATOM 4520 O O . GLU C 3 153 ? 15.542 -32.580 -43.938 1.00 81.16 ? 150 GLU H O 1 ATOM 4521 C CB . GLU C 3 153 ? 18.535 -33.151 -42.850 1.00 80.31 ? 150 GLU H CB 1 ATOM 4522 C CG . GLU C 3 153 ? 20.043 -33.063 -43.025 1.00 82.75 ? 150 GLU H CG 1 ATOM 4523 C CD . GLU C 3 153 ? 20.733 -34.406 -42.883 1.00 83.42 ? 150 GLU H CD 1 ATOM 4524 O OE1 . GLU C 3 153 ? 20.133 -35.438 -43.266 1.00 81.29 ? 150 GLU H OE1 1 ATOM 4525 O OE2 . GLU C 3 153 ? 21.880 -34.422 -42.383 1.00 83.27 ? 150 GLU H OE2 1 ATOM 4526 N N . PRO C 3 154 ? 15.844 -34.740 -43.427 1.00 79.37 ? 151 PRO H N 1 ATOM 4527 C CA . PRO C 3 154 ? 16.538 -36.004 -43.221 1.00 78.03 ? 151 PRO H CA 1 ATOM 4528 C C . PRO C 3 154 ? 16.376 -37.004 -44.348 1.00 76.71 ? 151 PRO H C 1 ATOM 4529 O O . PRO C 3 154 ? 15.739 -36.732 -45.370 1.00 76.42 ? 151 PRO H O 1 ATOM 4530 C CB . PRO C 3 154 ? 15.857 -36.565 -41.979 1.00 79.28 ? 151 PRO H CB 1 ATOM 4531 C CG . PRO C 3 154 ? 14.443 -36.074 -42.100 1.00 82.20 ? 151 PRO H CG 1 ATOM 4532 C CD . PRO C 3 154 ? 14.529 -34.722 -42.770 1.00 81.94 ? 151 PRO H CD 1 ATOM 4533 N N . VAL C 3 155 ? 16.940 -38.176 -44.099 1.00 75.93 ? 152 VAL H N 1 ATOM 4534 C CA . VAL C 3 155 ? 16.932 -39.286 -45.045 1.00 75.16 ? 152 VAL H CA 1 ATOM 4535 C C . VAL C 3 155 ? 16.918 -40.635 -44.337 1.00 76.04 ? 152 VAL H C 1 ATOM 4536 O O . VAL C 3 155 ? 17.912 -41.059 -43.750 1.00 76.14 ? 152 VAL H O 1 ATOM 4537 C CB . VAL C 3 155 ? 18.142 -39.217 -45.986 1.00 73.71 ? 152 VAL H CB 1 ATOM 4538 C CG1 . VAL C 3 155 ? 18.570 -40.610 -46.400 1.00 73.36 ? 152 VAL H CG1 1 ATOM 4539 C CG2 . VAL C 3 155 ? 17.810 -38.367 -47.197 1.00 73.99 ? 152 VAL H CG2 1 ATOM 4540 N N . THR C 3 156 ? 15.766 -41.289 -44.392 1.00 77.49 ? 153 THR H N 1 ATOM 4541 C CA . THR C 3 156 ? 15.575 -42.597 -43.754 1.00 78.86 ? 153 THR H CA 1 ATOM 4542 C C . THR C 3 156 ? 16.366 -43.671 -44.471 1.00 77.81 ? 153 THR H C 1 ATOM 4543 O O . THR C 3 156 ? 16.689 -43.544 -45.649 1.00 77.73 ? 153 THR H O 1 ATOM 4544 C CB . THR C 3 156 ? 14.090 -43.020 -43.741 1.00 81.55 ? 153 THR H CB 1 ATOM 4545 O OG1 . THR C 3 156 ? 13.276 -41.903 -43.366 1.00 83.33 ? 153 THR H OG1 1 ATOM 4546 C CG2 . THR C 3 156 ? 13.863 -44.174 -42.765 1.00 84.61 ? 153 THR H CG2 1 ATOM 4547 N N . VAL C 3 157 ? 16.667 -44.732 -43.736 1.00 78.06 ? 154 VAL H N 1 ATOM 4548 C CA . VAL C 3 157 ? 17.401 -45.875 -44.289 1.00 77.51 ? 154 VAL H CA 1 ATOM 4549 C C . VAL C 3 157 ? 17.101 -47.176 -43.563 1.00 79.16 ? 154 VAL H C 1 ATOM 4550 O O . VAL C 3 157 ? 17.708 -47.496 -42.544 1.00 80.12 ? 154 VAL H O 1 ATOM 4551 C CB . VAL C 3 157 ? 18.927 -45.644 -44.261 1.00 76.59 ? 154 VAL H CB 1 ATOM 4552 C CG1 . VAL C 3 157 ? 19.667 -46.928 -44.633 1.00 77.81 ? 154 VAL H CG1 1 ATOM 4553 C CG2 . VAL C 3 157 ? 19.319 -44.505 -45.199 1.00 73.69 ? 154 VAL H CG2 1 ATOM 4554 N N . SER C 3 158 ? 16.163 -47.924 -44.123 1.00 80.38 ? 156 SER H N 1 ATOM 4555 C CA . SER C 3 158 ? 15.781 -49.228 -43.594 1.00 82.25 ? 156 SER H CA 1 ATOM 4556 C C . SER C 3 158 ? 16.339 -50.334 -44.469 1.00 81.97 ? 156 SER H C 1 ATOM 4557 O O . SER C 3 158 ? 16.762 -50.110 -45.602 1.00 81.14 ? 156 SER H O 1 ATOM 4558 C CB . SER C 3 158 ? 14.256 -49.340 -43.508 1.00 84.76 ? 156 SER H CB 1 ATOM 4559 O OG . SER C 3 158 ? 13.857 -50.639 -43.110 1.00 87.69 ? 156 SER H OG 1 ATOM 4560 N N . TRP C 3 159 ? 16.357 -51.530 -43.911 1.00 83.36 ? 157 TRP H N 1 ATOM 4561 C CA . TRP C 3 159 ? 16.773 -52.710 -44.655 1.00 84.00 ? 157 TRP H CA 1 ATOM 4562 C C . TRP C 3 159 ? 15.701 -53.775 -44.600 1.00 87.24 ? 157 TRP H C 1 ATOM 4563 O O . TRP C 3 159 ? 15.401 -54.322 -43.540 1.00 89.75 ? 157 TRP H O 1 ATOM 4564 C CB . TRP C 3 159 ? 18.087 -53.250 -44.103 1.00 83.68 ? 157 TRP H CB 1 ATOM 4565 C CG . TRP C 3 159 ? 19.232 -52.315 -44.291 1.00 81.64 ? 157 TRP H CG 1 ATOM 4566 C CD1 . TRP C 3 159 ? 19.590 -51.282 -43.476 1.00 81.42 ? 157 TRP H CD1 1 ATOM 4567 C CD2 . TRP C 3 159 ? 20.178 -52.326 -45.364 1.00 82.15 ? 157 TRP H CD2 1 ATOM 4568 N NE1 . TRP C 3 159 ? 20.700 -50.649 -43.975 1.00 79.75 ? 157 TRP H NE1 1 ATOM 4569 C CE2 . TRP C 3 159 ? 21.080 -51.271 -45.135 1.00 79.66 ? 157 TRP H CE2 1 ATOM 4570 C CE3 . TRP C 3 159 ? 20.348 -53.124 -46.499 1.00 83.88 ? 157 TRP H CE3 1 ATOM 4571 C CZ2 . TRP C 3 159 ? 22.135 -50.995 -45.996 1.00 78.93 ? 157 TRP H CZ2 1 ATOM 4572 C CZ3 . TRP C 3 159 ? 21.398 -52.846 -47.353 1.00 81.78 ? 157 TRP H CZ3 1 ATOM 4573 C CH2 . TRP C 3 159 ? 22.277 -51.794 -47.097 1.00 79.74 ? 157 TRP H CH2 1 ATOM 4574 N N . ASN C 3 160 ? 15.128 -54.050 -45.765 1.00 87.73 ? 162 ASN H N 1 ATOM 4575 C CA . ASN C 3 160 ? 14.022 -54.995 -45.899 1.00 91.22 ? 162 ASN H CA 1 ATOM 4576 C C . ASN C 3 160 ? 12.829 -54.552 -45.069 1.00 93.20 ? 162 ASN H C 1 ATOM 4577 O O . ASN C 3 160 ? 12.206 -55.348 -44.369 1.00 96.97 ? 162 ASN H O 1 ATOM 4578 C CB . ASN C 3 160 ? 14.450 -56.411 -45.500 1.00 93.22 ? 162 ASN H CB 1 ATOM 4579 C CG . ASN C 3 160 ? 15.622 -56.915 -46.316 1.00 91.27 ? 162 ASN H CG 1 ATOM 4580 O OD1 . ASN C 3 160 ? 15.997 -56.312 -47.317 1.00 88.56 ? 162 ASN H OD1 1 ATOM 4581 N ND2 . ASN C 3 160 ? 16.204 -58.028 -45.892 1.00 92.28 ? 162 ASN H ND2 1 ATOM 4582 N N . SER C 3 161 ? 12.541 -53.260 -45.153 1.00 91.19 ? 163 SER H N 1 ATOM 4583 C CA . SER C 3 161 ? 11.388 -52.643 -44.486 1.00 93.00 ? 163 SER H CA 1 ATOM 4584 C C . SER C 3 161 ? 11.444 -52.782 -42.969 1.00 94.26 ? 163 SER H C 1 ATOM 4585 O O . SER C 3 161 ? 10.460 -52.533 -42.273 1.00 97.03 ? 163 SER H O 1 ATOM 4586 C CB . SER C 3 161 ? 10.069 -53.217 -45.018 1.00 97.06 ? 163 SER H CB 1 ATOM 4587 O OG . SER C 3 161 ? 9.899 -52.901 -46.387 1.00 95.91 ? 163 SER H OG 1 ATOM 4588 N N . GLY C 3 162 ? 12.612 -53.159 -42.472 1.00 92.51 ? 164 GLY H N 1 ATOM 4589 C CA . GLY C 3 162 ? 12.827 -53.289 -41.033 1.00 94.15 ? 164 GLY H CA 1 ATOM 4590 C C . GLY C 3 162 ? 12.895 -54.732 -40.588 1.00 97.66 ? 164 GLY H C 1 ATOM 4591 O O . GLY C 3 162 ? 13.003 -55.028 -39.399 1.00 99.64 ? 164 GLY H O 1 ATOM 4592 N N . ALA C 3 163 ? 12.825 -55.632 -41.559 1.00 99.08 ? 165 ALA H N 1 ATOM 4593 C CA . ALA C 3 163 ? 12.984 -57.067 -41.293 1.00 103.06 ? 165 ALA H CA 1 ATOM 4594 C C . ALA C 3 163 ? 14.356 -57.312 -40.689 1.00 102.05 ? 165 ALA H C 1 ATOM 4595 O O . ALA C 3 163 ? 14.510 -58.080 -39.738 1.00 104.96 ? 165 ALA H O 1 ATOM 4596 C CB . ALA C 3 163 ? 12.807 -57.893 -42.570 1.00 104.10 ? 165 ALA H CB 1 ATOM 4597 N N . LEU C 3 164 ? 15.346 -56.634 -41.257 1.00 98.65 ? 166 LEU H N 1 ATOM 4598 C CA . LEU C 3 164 ? 16.712 -56.659 -40.725 1.00 97.76 ? 166 LEU H CA 1 ATOM 4599 C C . LEU C 3 164 ? 16.775 -55.748 -39.517 1.00 98.23 ? 166 LEU H C 1 ATOM 4600 O O . LEU C 3 164 ? 17.003 -54.543 -39.626 1.00 95.03 ? 166 LEU H O 1 ATOM 4601 C CB . LEU C 3 164 ? 17.742 -56.242 -41.774 1.00 93.92 ? 166 LEU H CB 1 ATOM 4602 C CG . LEU C 3 164 ? 17.886 -57.264 -42.906 1.00 95.39 ? 166 LEU H CG 1 ATOM 4603 C CD1 . LEU C 3 164 ? 18.940 -56.839 -43.918 1.00 92.74 ? 166 LEU H CD1 1 ATOM 4604 C CD2 . LEU C 3 164 ? 18.215 -58.634 -42.328 1.00 98.98 ? 166 LEU H CD2 1 ATOM 4605 N N . THR C 3 165 ? 16.565 -56.372 -38.365 1.00 102.94 ? 167 THR H N 1 ATOM 4606 C CA . THR C 3 165 ? 16.388 -55.684 -37.086 1.00 104.66 ? 167 THR H CA 1 ATOM 4607 C C . THR C 3 165 ? 17.668 -55.706 -36.272 1.00 105.35 ? 167 THR H C 1 ATOM 4608 O O . THR C 3 165 ? 17.641 -55.660 -35.039 1.00 109.35 ? 167 THR H O 1 ATOM 4609 C CB . THR C 3 165 ? 15.238 -56.328 -36.242 1.00 109.85 ? 167 THR H CB 1 ATOM 4610 O OG1 . THR C 3 165 ? 15.120 -55.652 -34.984 1.00 110.83 ? 167 THR H OG1 1 ATOM 4611 C CG2 . THR C 3 165 ? 15.491 -57.813 -35.977 1.00 112.87 ? 167 THR H CG2 1 ATOM 4612 N N . SER C 3 166 ? 18.789 -55.789 -36.974 1.00 102.34 ? 168 SER H N 1 ATOM 4613 C CA . SER C 3 166 ? 20.095 -55.880 -36.316 1.00 102.67 ? 168 SER H CA 1 ATOM 4614 C C . SER C 3 166 ? 21.265 -55.723 -37.272 1.00 99.15 ? 168 SER H C 1 ATOM 4615 O O . SER C 3 166 ? 21.211 -56.131 -38.433 1.00 97.77 ? 168 SER H O 1 ATOM 4616 C CB . SER C 3 166 ? 20.219 -57.215 -35.572 1.00 107.11 ? 168 SER H CB 1 ATOM 4617 O OG . SER C 3 166 ? 21.388 -57.250 -34.776 1.00 108.40 ? 168 SER H OG 1 ATOM 4618 N N . GLY C 3 167 ? 22.323 -55.119 -36.750 1.00 98.15 ? 169 GLY H N 1 ATOM 4619 C CA . GLY C 3 167 ? 23.561 -54.917 -37.495 1.00 95.41 ? 169 GLY H CA 1 ATOM 4620 C C . GLY C 3 167 ? 23.488 -53.693 -38.377 1.00 90.84 ? 169 GLY H C 1 ATOM 4621 O O . GLY C 3 167 ? 24.480 -53.285 -38.982 1.00 88.98 ? 169 GLY H O 1 ATOM 4622 N N . VAL C 3 168 ? 22.299 -53.108 -38.433 1.00 89.33 ? 171 VAL H N 1 ATOM 4623 C CA . VAL C 3 168 ? 22.048 -51.939 -39.278 1.00 85.87 ? 171 VAL H CA 1 ATOM 4624 C C . VAL C 3 168 ? 22.622 -50.676 -38.672 1.00 85.09 ? 171 VAL H C 1 ATOM 4625 O O . VAL C 3 168 ? 22.153 -50.186 -37.647 1.00 86.47 ? 171 VAL H O 1 ATOM 4626 C CB . VAL C 3 168 ? 20.547 -51.703 -39.525 1.00 85.43 ? 171 VAL H CB 1 ATOM 4627 C CG1 . VAL C 3 168 ? 20.343 -50.417 -40.315 1.00 82.24 ? 171 VAL H CG1 1 ATOM 4628 C CG2 . VAL C 3 168 ? 19.938 -52.885 -40.254 1.00 86.21 ? 171 VAL H CG2 1 ATOM 4629 N N . HIS C 3 169 ? 23.646 -50.162 -39.336 1.00 83.51 ? 172 HIS H N 1 ATOM 4630 C CA . HIS C 3 169 ? 24.254 -48.888 -38.975 1.00 82.95 ? 172 HIS H CA 1 ATOM 4631 C C . HIS C 3 169 ? 23.913 -47.829 -40.010 1.00 79.74 ? 172 HIS H C 1 ATOM 4632 O O . HIS C 3 169 ? 23.927 -48.076 -41.217 1.00 78.17 ? 172 HIS H O 1 ATOM 4633 C CB . HIS C 3 169 ? 25.775 -49.027 -38.862 1.00 84.33 ? 172 HIS H CB 1 ATOM 4634 C CG . HIS C 3 169 ? 26.226 -49.837 -37.686 1.00 89.19 ? 172 HIS H CG 1 ATOM 4635 N ND1 . HIS C 3 169 ? 25.863 -51.154 -37.505 1.00 93.70 ? 172 HIS H ND1 1 ATOM 4636 C CD2 . HIS C 3 169 ? 27.025 -49.521 -36.639 1.00 92.89 ? 172 HIS H CD2 1 ATOM 4637 C CE1 . HIS C 3 169 ? 26.410 -51.612 -36.392 1.00 95.55 ? 172 HIS H CE1 1 ATOM 4638 N NE2 . HIS C 3 169 ? 27.121 -50.641 -35.848 1.00 96.54 ? 172 HIS H NE2 1 ATOM 4639 N N . THR C 3 170 ? 23.584 -46.648 -39.514 1.00 79.29 ? 173 THR H N 1 ATOM 4640 C CA . THR C 3 170 ? 23.395 -45.482 -40.367 1.00 77.11 ? 173 THR H CA 1 ATOM 4641 C C . THR C 3 170 ? 24.303 -44.361 -39.903 1.00 77.15 ? 173 THR H C 1 ATOM 4642 O O . THR C 3 170 ? 24.115 -43.791 -38.829 1.00 78.69 ? 173 THR H O 1 ATOM 4643 C CB . THR C 3 170 ? 21.950 -44.994 -40.360 1.00 77.00 ? 173 THR H CB 1 ATOM 4644 O OG1 . THR C 3 170 ? 21.088 -46.041 -40.830 1.00 78.64 ? 173 THR H OG1 1 ATOM 4645 C CG2 . THR C 3 170 ? 21.801 -43.780 -41.266 1.00 76.17 ? 173 THR H CG2 1 ATOM 4646 N N . PHE C 3 171 ? 25.275 -44.054 -40.752 1.00 75.46 ? 174 PHE H N 1 ATOM 4647 C CA . PHE C 3 171 ? 26.363 -43.133 -40.421 1.00 75.19 ? 174 PHE H CA 1 ATOM 4648 C C . PHE C 3 171 ? 25.934 -41.679 -40.596 1.00 73.53 ? 174 PHE H C 1 ATOM 4649 O O . PHE C 3 171 ? 24.931 -41.400 -41.250 1.00 70.42 ? 174 PHE H O 1 ATOM 4650 C CB . PHE C 3 171 ? 27.603 -43.446 -41.272 1.00 75.54 ? 174 PHE H CB 1 ATOM 4651 C CG . PHE C 3 171 ? 28.192 -44.808 -41.004 1.00 76.25 ? 174 PHE H CG 1 ATOM 4652 C CD1 . PHE C 3 171 ? 27.714 -45.933 -41.658 1.00 75.00 ? 174 PHE H CD1 1 ATOM 4653 C CD2 . PHE C 3 171 ? 29.220 -44.964 -40.089 1.00 79.11 ? 174 PHE H CD2 1 ATOM 4654 C CE1 . PHE C 3 171 ? 28.250 -47.182 -41.405 1.00 76.76 ? 174 PHE H CE1 1 ATOM 4655 C CE2 . PHE C 3 171 ? 29.760 -46.210 -39.836 1.00 80.80 ? 174 PHE H CE2 1 ATOM 4656 C CZ . PHE C 3 171 ? 29.275 -47.318 -40.495 1.00 79.89 ? 174 PHE H CZ 1 ATOM 4657 N N . PRO C 3 172 ? 26.681 -40.747 -39.984 1.00 75.46 ? 175 PRO H N 1 ATOM 4658 C CA . PRO C 3 172 ? 26.361 -39.324 -40.061 1.00 75.69 ? 175 PRO H CA 1 ATOM 4659 C C . PRO C 3 172 ? 26.429 -38.793 -41.470 1.00 74.63 ? 175 PRO H C 1 ATOM 4660 O O . PRO C 3 172 ? 27.024 -39.415 -42.353 1.00 74.96 ? 175 PRO H O 1 ATOM 4661 C CB . PRO C 3 172 ? 27.448 -38.669 -39.204 1.00 79.02 ? 175 PRO H CB 1 ATOM 4662 C CG . PRO C 3 172 ? 27.919 -39.744 -38.305 1.00 80.95 ? 175 PRO H CG 1 ATOM 4663 C CD . PRO C 3 172 ? 27.828 -40.999 -39.097 1.00 78.56 ? 175 PRO H CD 1 ATOM 4664 N N . SER C 3 173 ? 25.814 -37.635 -41.657 1.00 74.25 ? 176 SER H N 1 ATOM 4665 C CA . SER C 3 173 ? 25.763 -36.994 -42.967 1.00 73.53 ? 176 SER H CA 1 ATOM 4666 C C . SER C 3 173 ? 26.871 -35.980 -43.147 1.00 75.45 ? 176 SER H C 1 ATOM 4667 O O . SER C 3 173 ? 27.214 -35.224 -42.238 1.00 77.58 ? 176 SER H O 1 ATOM 4668 C CB . SER C 3 173 ? 24.414 -36.312 -43.187 1.00 72.49 ? 176 SER H CB 1 ATOM 4669 O OG . SER C 3 173 ? 24.306 -35.149 -42.386 1.00 76.69 ? 176 SER H OG 1 ATOM 4670 N N . VAL C 3 174 ? 27.420 -35.988 -44.351 1.00 75.42 ? 177 VAL H N 1 ATOM 4671 C CA . VAL C 3 174 ? 28.400 -35.001 -44.775 1.00 77.49 ? 177 VAL H CA 1 ATOM 4672 C C . VAL C 3 174 ? 27.718 -33.955 -45.627 1.00 77.00 ? 177 VAL H C 1 ATOM 4673 O O . VAL C 3 174 ? 26.716 -34.220 -46.287 1.00 74.50 ? 177 VAL H O 1 ATOM 4674 C CB . VAL C 3 174 ? 29.557 -35.633 -45.571 1.00 79.14 ? 177 VAL H CB 1 ATOM 4675 C CG1 . VAL C 3 174 ? 29.101 -36.036 -46.972 1.00 76.43 ? 177 VAL H CG1 1 ATOM 4676 C CG2 . VAL C 3 174 ? 30.733 -34.661 -45.647 1.00 82.87 ? 177 VAL H CG2 1 ATOM 4677 N N . LEU C 3 175 ? 28.283 -32.760 -45.594 1.00 80.03 ? 178 LEU H N 1 ATOM 4678 C CA . LEU C 3 175 ? 27.726 -31.611 -46.298 1.00 81.03 ? 178 LEU H CA 1 ATOM 4679 C C . LEU C 3 175 ? 28.750 -30.986 -47.230 1.00 84.62 ? 178 LEU H C 1 ATOM 4680 O O . LEU C 3 175 ? 29.725 -30.370 -46.791 1.00 88.73 ? 178 LEU H O 1 ATOM 4681 C CB . LEU C 3 175 ? 27.231 -30.576 -45.286 1.00 81.98 ? 178 LEU H CB 1 ATOM 4682 C CG . LEU C 3 175 ? 26.610 -29.282 -45.821 1.00 83.64 ? 178 LEU H CG 1 ATOM 4683 C CD1 . LEU C 3 175 ? 25.591 -28.757 -44.822 1.00 84.66 ? 178 LEU H CD1 1 ATOM 4684 C CD2 . LEU C 3 175 ? 27.666 -28.218 -46.119 1.00 86.93 ? 178 LEU H CD2 1 ATOM 4685 N N . HIS C 3 176 ? 28.517 -31.157 -48.524 1.00 84.32 ? 179 HIS H N 1 ATOM 4686 C CA . HIS C 3 176 ? 29.387 -30.573 -49.541 1.00 87.86 ? 179 HIS H CA 1 ATOM 4687 C C . HIS C 3 176 ? 28.619 -30.064 -50.752 1.00 87.68 ? 179 HIS H C 1 ATOM 4688 O O . HIS C 3 176 ? 27.935 -30.819 -51.447 1.00 85.80 ? 179 HIS H O 1 ATOM 4689 C CB . HIS C 3 176 ? 30.446 -31.584 -49.977 1.00 89.76 ? 179 HIS H CB 1 ATOM 4690 C CG . HIS C 3 176 ? 31.623 -30.963 -50.665 1.00 96.66 ? 179 HIS H CG 1 ATOM 4691 N ND1 . HIS C 3 176 ? 32.501 -30.118 -50.021 1.00 102.03 ? 179 HIS H ND1 1 ATOM 4692 C CD2 . HIS C 3 176 ? 32.072 -31.073 -51.938 1.00 100.41 ? 179 HIS H CD2 1 ATOM 4693 C CE1 . HIS C 3 176 ? 33.437 -29.729 -50.868 1.00 106.92 ? 179 HIS H CE1 1 ATOM 4694 N NE2 . HIS C 3 176 ? 33.200 -30.295 -52.038 1.00 107.40 ? 179 HIS H NE2 1 ATOM 4695 N N . SER C 3 177 ? 28.755 -28.766 -50.980 1.00 90.14 ? 180 SER H N 1 ATOM 4696 C CA . SER C 3 177 ? 28.177 -28.089 -52.142 1.00 91.28 ? 180 SER H CA 1 ATOM 4697 C C . SER C 3 177 ? 26.671 -27.941 -52.013 1.00 88.18 ? 180 SER H C 1 ATOM 4698 O O . SER C 3 177 ? 25.945 -27.894 -53.007 1.00 88.80 ? 180 SER H O 1 ATOM 4699 C CB . SER C 3 177 ? 28.522 -28.833 -53.433 1.00 92.47 ? 180 SER H CB 1 ATOM 4700 O OG . SER C 3 177 ? 29.885 -29.219 -53.437 1.00 95.42 ? 180 SER H OG 1 ATOM 4701 N N . GLY C 3 178 ? 26.218 -27.872 -50.769 1.00 85.49 ? 183 GLY H N 1 ATOM 4702 C CA . GLY C 3 178 ? 24.811 -27.616 -50.460 1.00 82.97 ? 183 GLY H CA 1 ATOM 4703 C C . GLY C 3 178 ? 24.002 -28.893 -50.475 1.00 79.10 ? 183 GLY H C 1 ATOM 4704 O O . GLY C 3 178 ? 22.804 -28.901 -50.185 1.00 77.53 ? 183 GLY H O 1 ATOM 4705 N N . LEU C 3 179 ? 24.686 -29.974 -50.826 1.00 77.63 ? 184 LEU H N 1 ATOM 4706 C CA . LEU C 3 179 ? 24.089 -31.306 -50.843 1.00 74.21 ? 184 LEU H CA 1 ATOM 4707 C C . LEU C 3 179 ? 24.610 -32.150 -49.694 1.00 72.76 ? 184 LEU H C 1 ATOM 4708 O O . LEU C 3 179 ? 25.759 -32.028 -49.282 1.00 74.15 ? 184 LEU H O 1 ATOM 4709 C CB . LEU C 3 179 ? 24.368 -32.015 -52.177 1.00 74.63 ? 184 LEU H CB 1 ATOM 4710 C CG . LEU C 3 179 ? 23.469 -31.664 -53.366 1.00 73.53 ? 184 LEU H CG 1 ATOM 4711 C CD1 . LEU C 3 179 ? 24.005 -32.314 -54.627 1.00 72.32 ? 184 LEU H CD1 1 ATOM 4712 C CD2 . LEU C 3 179 ? 22.027 -32.096 -53.117 1.00 71.61 ? 184 LEU H CD2 1 ATOM 4713 N N . TYR C 3 180 ? 23.732 -33.004 -49.186 1.00 70.70 ? 185 TYR H N 1 ATOM 4714 C CA . TYR C 3 180 ? 24.080 -33.959 -48.131 1.00 69.70 ? 185 TYR H CA 1 ATOM 4715 C C . TYR C 3 180 ? 24.305 -35.351 -48.689 1.00 69.35 ? 185 TYR H C 1 ATOM 4716 O O . TYR C 3 180 ? 23.701 -35.754 -49.685 1.00 70.03 ? 185 TYR H O 1 ATOM 4717 C CB . TYR C 3 180 ? 22.993 -34.012 -47.060 1.00 68.36 ? 185 TYR H CB 1 ATOM 4718 C CG . TYR C 3 180 ? 22.995 -32.815 -46.146 1.00 71.22 ? 185 TYR H CG 1 ATOM 4719 C CD1 . TYR C 3 180 ? 23.891 -32.730 -45.090 1.00 72.16 ? 185 TYR H CD1 1 ATOM 4720 C CD2 . TYR C 3 180 ? 22.104 -31.769 -46.337 1.00 72.24 ? 185 TYR H CD2 1 ATOM 4721 C CE1 . TYR C 3 180 ? 23.901 -31.638 -44.252 1.00 74.16 ? 185 TYR H CE1 1 ATOM 4722 C CE2 . TYR C 3 180 ? 22.107 -30.671 -45.501 1.00 74.21 ? 185 TYR H CE2 1 ATOM 4723 C CZ . TYR C 3 180 ? 23.008 -30.612 -44.458 1.00 75.68 ? 185 TYR H CZ 1 ATOM 4724 O OH . TYR C 3 180 ? 23.022 -29.524 -43.614 1.00 79.80 ? 185 TYR H OH 1 ATOM 4725 N N . SER C 3 181 ? 25.193 -36.078 -48.028 1.00 69.32 ? 186 SER H N 1 ATOM 4726 C CA . SER C 3 181 ? 25.496 -37.457 -48.400 1.00 68.65 ? 186 SER H CA 1 ATOM 4727 C C . SER C 3 181 ? 25.572 -38.357 -47.185 1.00 67.41 ? 186 SER H C 1 ATOM 4728 O O . SER C 3 181 ? 26.161 -38.020 -46.165 1.00 67.96 ? 186 SER H O 1 ATOM 4729 C CB . SER C 3 181 ? 26.804 -37.528 -49.182 1.00 70.97 ? 186 SER H CB 1 ATOM 4730 O OG . SER C 3 181 ? 26.774 -36.649 -50.293 1.00 74.06 ? 186 SER H OG 1 ATOM 4731 N N . LEU C 3 182 ? 24.954 -39.514 -47.320 1.00 66.72 ? 187 LEU H N 1 ATOM 4732 C CA . LEU C 3 182 ? 24.855 -40.470 -46.227 1.00 66.82 ? 187 LEU H CA 1 ATOM 4733 C C . LEU C 3 182 ? 25.074 -41.899 -46.699 1.00 67.71 ? 187 LEU H C 1 ATOM 4734 O O . LEU C 3 182 ? 24.636 -42.295 -47.781 1.00 68.25 ? 187 LEU H O 1 ATOM 4735 C CB . LEU C 3 182 ? 23.482 -40.325 -45.565 1.00 65.78 ? 187 LEU H CB 1 ATOM 4736 C CG . LEU C 3 182 ? 23.112 -41.286 -44.439 1.00 65.02 ? 187 LEU H CG 1 ATOM 4737 C CD1 . LEU C 3 182 ? 21.923 -40.739 -43.661 1.00 65.22 ? 187 LEU H CD1 1 ATOM 4738 C CD2 . LEU C 3 182 ? 22.809 -42.670 -44.988 1.00 64.40 ? 187 LEU H CD2 1 ATOM 4739 N N . SER C 3 183 ? 25.778 -42.657 -45.875 1.00 69.05 ? 188 SER H N 1 ATOM 4740 C CA . SER C 3 183 ? 25.965 -44.085 -46.106 1.00 70.29 ? 188 SER H CA 1 ATOM 4741 C C . SER C 3 183 ? 25.427 -44.898 -44.934 1.00 70.52 ? 188 SER H C 1 ATOM 4742 O O . SER C 3 183 ? 25.416 -44.450 -43.784 1.00 70.50 ? 188 SER H O 1 ATOM 4743 C CB . SER C 3 183 ? 27.440 -44.414 -46.366 1.00 72.54 ? 188 SER H CB 1 ATOM 4744 O OG . SER C 3 183 ? 28.243 -44.166 -45.221 1.00 77.10 ? 188 SER H OG 1 ATOM 4745 N N . SER C 3 184 ? 24.951 -46.091 -45.260 1.00 70.88 ? 189 SER H N 1 ATOM 4746 C CA . SER C 3 184 ? 24.393 -47.016 -44.272 1.00 71.57 ? 189 SER H CA 1 ATOM 4747 C C . SER C 3 184 ? 24.793 -48.450 -44.569 1.00 73.15 ? 189 SER H C 1 ATOM 4748 O O . SER C 3 184 ? 24.815 -48.880 -45.720 1.00 73.63 ? 189 SER H O 1 ATOM 4749 C CB . SER C 3 184 ? 22.870 -46.903 -44.247 1.00 70.58 ? 189 SER H CB 1 ATOM 4750 O OG . SER C 3 184 ? 22.310 -47.872 -43.382 1.00 71.74 ? 189 SER H OG 1 ATOM 4751 N N . SER C 3 185 ? 25.111 -49.185 -43.516 1.00 75.14 ? 190 SER H N 1 ATOM 4752 C CA . SER C 3 185 ? 25.589 -50.557 -43.663 1.00 77.80 ? 190 SER H CA 1 ATOM 4753 C C . SER C 3 185 ? 24.743 -51.578 -42.934 1.00 79.52 ? 190 SER H C 1 ATOM 4754 O O . SER C 3 185 ? 23.862 -51.253 -42.136 1.00 79.72 ? 190 SER H O 1 ATOM 4755 C CB . SER C 3 185 ? 27.027 -50.671 -43.167 1.00 79.91 ? 190 SER H CB 1 ATOM 4756 O OG . SER C 3 185 ? 27.097 -50.409 -41.776 1.00 82.47 ? 190 SER H OG 1 ATOM 4757 N N . VAL C 3 186 ? 25.052 -52.827 -43.243 1.00 81.32 ? 191 VAL H N 1 ATOM 4758 C CA . VAL C 3 186 ? 24.398 -53.989 -42.631 1.00 83.30 ? 191 VAL H CA 1 ATOM 4759 C C . VAL C 3 186 ? 25.223 -55.257 -42.768 1.00 85.68 ? 191 VAL H C 1 ATOM 4760 O O . VAL C 3 186 ? 25.693 -55.607 -43.852 1.00 85.50 ? 191 VAL H O 1 ATOM 4761 C CB . VAL C 3 186 ? 23.004 -54.240 -43.227 1.00 83.17 ? 191 VAL H CB 1 ATOM 4762 C CG1 . VAL C 3 186 ? 22.694 -55.732 -43.256 1.00 85.53 ? 191 VAL H CG1 1 ATOM 4763 C CG2 . VAL C 3 186 ? 21.954 -53.489 -42.431 1.00 83.26 ? 191 VAL H CG2 1 ATOM 4764 N N . THR C 3 187 ? 25.390 -55.934 -41.642 1.00 88.46 ? 192 THR H N 1 ATOM 4765 C CA . THR C 3 187 ? 26.170 -57.161 -41.584 1.00 91.63 ? 192 THR H CA 1 ATOM 4766 C C . THR C 3 187 ? 25.260 -58.358 -41.393 1.00 94.09 ? 192 THR H C 1 ATOM 4767 O O . THR C 3 187 ? 24.335 -58.336 -40.585 1.00 94.74 ? 192 THR H O 1 ATOM 4768 C CB . THR C 3 187 ? 27.202 -57.113 -40.440 1.00 93.72 ? 192 THR H CB 1 ATOM 4769 O OG1 . THR C 3 187 ? 28.026 -55.951 -40.587 1.00 91.66 ? 192 THR H OG1 1 ATOM 4770 C CG2 . THR C 3 187 ? 28.079 -58.354 -40.454 1.00 97.48 ? 192 THR H CG2 1 ATOM 4771 N N . VAL C 3 188 ? 25.538 -59.396 -42.166 1.00 96.34 ? 193 VAL H N 1 ATOM 4772 C CA . VAL C 3 188 ? 24.759 -60.635 -42.123 1.00 99.91 ? 193 VAL H CA 1 ATOM 4773 C C . VAL C 3 188 ? 25.662 -61.853 -42.302 1.00 104.45 ? 193 VAL H C 1 ATOM 4774 O O . VAL C 3 188 ? 26.738 -61.751 -42.891 1.00 104.37 ? 193 VAL H O 1 ATOM 4775 C CB . VAL C 3 188 ? 23.676 -60.652 -43.213 1.00 98.82 ? 193 VAL H CB 1 ATOM 4776 C CG1 . VAL C 3 188 ? 22.680 -59.528 -42.984 1.00 95.96 ? 193 VAL H CG1 1 ATOM 4777 C CG2 . VAL C 3 188 ? 24.307 -60.548 -44.592 1.00 97.52 ? 193 VAL H CG2 1 ATOM 4778 N N . PRO C 3 189 ? 25.226 -63.015 -41.796 1.00 109.38 ? 194 PRO H N 1 ATOM 4779 C CA . PRO C 3 189 ? 26.110 -64.176 -41.805 1.00 113.88 ? 194 PRO H CA 1 ATOM 4780 C C . PRO C 3 189 ? 26.371 -64.716 -43.194 1.00 115.19 ? 194 PRO H C 1 ATOM 4781 O O . PRO C 3 189 ? 25.590 -64.495 -44.119 1.00 113.39 ? 194 PRO H O 1 ATOM 4782 C CB . PRO C 3 189 ? 25.346 -65.207 -40.971 1.00 117.78 ? 194 PRO H CB 1 ATOM 4783 C CG . PRO C 3 189 ? 23.920 -64.823 -41.108 1.00 115.89 ? 194 PRO H CG 1 ATOM 4784 C CD . PRO C 3 189 ? 23.900 -63.330 -41.236 1.00 110.74 ? 194 PRO H CD 1 ATOM 4785 N N . SER C 3 190 ? 27.493 -65.410 -43.317 1.00 118.96 ? 195 SER H N 1 ATOM 4786 C CA . SER C 3 190 ? 27.851 -66.080 -44.566 1.00 121.57 ? 195 SER H CA 1 ATOM 4787 C C . SER C 3 190 ? 26.740 -67.030 -44.975 1.00 124.64 ? 195 SER H C 1 ATOM 4788 O O . SER C 3 190 ? 26.118 -67.687 -44.142 1.00 127.12 ? 195 SER H O 1 ATOM 4789 C CB . SER C 3 190 ? 29.172 -66.850 -44.428 1.00 125.28 ? 195 SER H CB 1 ATOM 4790 O OG . SER C 3 190 ? 29.469 -67.561 -45.616 1.00 127.45 ? 195 SER H OG 1 ATOM 4791 N N . SER C 3 191 ? 26.489 -67.067 -46.275 1.00 125.34 ? 196 SER H N 1 ATOM 4792 C CA . SER C 3 191 ? 25.487 -67.957 -46.860 1.00 128.89 ? 196 SER H CA 1 ATOM 4793 C C . SER C 3 191 ? 24.073 -67.497 -46.544 1.00 127.67 ? 196 SER H C 1 ATOM 4794 O O . SER C 3 191 ? 23.148 -68.304 -46.452 1.00 130.79 ? 196 SER H O 1 ATOM 4795 C CB . SER C 3 191 ? 25.687 -69.400 -46.383 1.00 134.10 ? 196 SER H CB 1 ATOM 4796 O OG . SER C 3 191 ? 25.412 -69.531 -45.000 1.00 134.82 ? 196 SER H OG 1 ATOM 4797 N N . THR C 3 192 ? 23.925 -66.190 -46.372 1.00 123.77 ? 197 THR H N 1 ATOM 4798 C CA . THR C 3 192 ? 22.611 -65.563 -46.224 1.00 122.41 ? 197 THR H CA 1 ATOM 4799 C C . THR C 3 192 ? 22.358 -64.577 -47.343 1.00 119.56 ? 197 THR H C 1 ATOM 4800 O O . THR C 3 192 ? 21.367 -64.672 -48.063 1.00 121.07 ? 197 THR H O 1 ATOM 4801 C CB . THR C 3 192 ? 22.474 -64.822 -44.890 1.00 120.55 ? 197 THR H CB 1 ATOM 4802 O OG1 . THR C 3 192 ? 21.979 -65.728 -43.899 1.00 124.83 ? 197 THR H OG1 1 ATOM 4803 C CG2 . THR C 3 192 ? 21.502 -63.652 -45.020 1.00 116.77 ? 197 THR H CG2 1 ATOM 4804 N N . TRP C 3 193 ? 23.267 -63.621 -47.467 1.00 116.17 ? 198 TRP H N 1 ATOM 4805 C CA . TRP C 3 193 ? 23.187 -62.600 -48.523 1.00 113.39 ? 198 TRP H CA 1 ATOM 4806 C C . TRP C 3 193 ? 23.169 -63.185 -49.945 1.00 116.42 ? 198 TRP H C 1 ATOM 4807 O O . TRP C 3 193 ? 22.342 -62.788 -50.770 1.00 116.84 ? 198 TRP H O 1 ATOM 4808 C CB . TRP C 3 193 ? 24.319 -61.579 -48.408 1.00 110.23 ? 198 TRP H CB 1 ATOM 4809 C CG . TRP C 3 193 ? 24.430 -60.712 -49.615 1.00 107.49 ? 198 TRP H CG 1 ATOM 4810 C CD1 . TRP C 3 193 ? 23.485 -59.856 -50.101 1.00 104.12 ? 198 TRP H CD1 1 ATOM 4811 C CD2 . TRP C 3 193 ? 25.553 -60.614 -50.496 1.00 108.05 ? 198 TRP H CD2 1 ATOM 4812 N NE1 . TRP C 3 193 ? 23.950 -59.232 -51.231 1.00 103.39 ? 198 TRP H NE1 1 ATOM 4813 C CE2 . TRP C 3 193 ? 25.218 -59.679 -51.495 1.00 105.98 ? 198 TRP H CE2 1 ATOM 4814 C CE3 . TRP C 3 193 ? 26.810 -61.226 -50.538 1.00 110.83 ? 198 TRP H CE3 1 ATOM 4815 C CZ2 . TRP C 3 193 ? 26.093 -59.343 -52.522 1.00 107.60 ? 198 TRP H CZ2 1 ATOM 4816 C CZ3 . TRP C 3 193 ? 27.677 -60.891 -51.557 1.00 111.69 ? 198 TRP H CZ3 1 ATOM 4817 C CH2 . TRP C 3 193 ? 27.315 -59.959 -52.536 1.00 110.76 ? 198 TRP H CH2 1 ATOM 4818 N N . PRO C 3 194 ? 24.070 -64.113 -50.254 1.00 118.82 ? 200 PRO H N 1 ATOM 4819 C CA . PRO C 3 194 ? 23.998 -64.742 -51.565 1.00 121.48 ? 200 PRO H CA 1 ATOM 4820 C C . PRO C 3 194 ? 22.669 -65.447 -51.740 1.00 123.31 ? 200 PRO H C 1 ATOM 4821 O O . PRO C 3 194 ? 21.960 -65.241 -52.723 1.00 124.18 ? 200 PRO H O 1 ATOM 4822 C CB . PRO C 3 194 ? 25.135 -65.773 -51.534 1.00 124.88 ? 200 PRO H CB 1 ATOM 4823 C CG . PRO C 3 194 ? 25.580 -65.848 -50.114 1.00 124.05 ? 200 PRO H CG 1 ATOM 4824 C CD . PRO C 3 194 ? 25.303 -64.504 -49.550 1.00 119.50 ? 200 PRO H CD 1 ATOM 4825 N N . SER C 3 195 ? 22.352 -66.269 -50.754 1.00 124.21 ? 202 SER H N 1 ATOM 4826 C CA . SER C 3 195 ? 21.158 -67.120 -50.795 1.00 127.25 ? 202 SER H CA 1 ATOM 4827 C C . SER C 3 195 ? 19.877 -66.298 -50.809 1.00 124.79 ? 202 SER H C 1 ATOM 4828 O O . SER C 3 195 ? 18.973 -66.531 -51.615 1.00 127.44 ? 202 SER H O 1 ATOM 4829 C CB . SER C 3 195 ? 21.132 -68.075 -49.595 1.00 129.73 ? 202 SER H CB 1 ATOM 4830 O OG . SER C 3 195 ? 22.396 -68.686 -49.405 1.00 130.78 ? 202 SER H OG 1 ATOM 4831 N N . GLN C 3 196 ? 19.821 -65.340 -49.895 1.00 119.71 ? 203 GLN H N 1 ATOM 4832 C CA . GLN C 3 196 ? 18.638 -64.509 -49.690 1.00 117.49 ? 203 GLN H CA 1 ATOM 4833 C C . GLN C 3 196 ? 18.953 -63.069 -50.019 1.00 112.31 ? 203 GLN H C 1 ATOM 4834 O O . GLN C 3 196 ? 19.971 -62.531 -49.592 1.00 109.39 ? 203 GLN H O 1 ATOM 4835 C CB . GLN C 3 196 ? 18.162 -64.599 -48.239 1.00 117.60 ? 203 GLN H CB 1 ATOM 4836 C CG . GLN C 3 196 ? 17.797 -66.007 -47.786 1.00 122.90 ? 203 GLN H CG 1 ATOM 4837 C CD . GLN C 3 196 ? 17.956 -66.212 -46.289 1.00 123.02 ? 203 GLN H CD 1 ATOM 4838 O OE1 . GLN C 3 196 ? 17.709 -65.306 -45.489 1.00 120.12 ? 203 GLN H OE1 1 ATOM 4839 N NE2 . GLN C 3 196 ? 18.368 -67.413 -45.903 1.00 125.96 ? 203 GLN H NE2 1 ATOM 4840 N N . THR C 3 197 ? 18.053 -62.448 -50.767 1.00 111.77 ? 205 THR H N 1 ATOM 4841 C CA . THR C 3 197 ? 18.273 -61.094 -51.277 1.00 107.96 ? 205 THR H CA 1 ATOM 4842 C C . THR C 3 197 ? 18.016 -60.022 -50.234 1.00 104.14 ? 205 THR H C 1 ATOM 4843 O O . THR C 3 197 ? 16.909 -59.882 -49.716 1.00 104.93 ? 205 THR H O 1 ATOM 4844 C CB . THR C 3 197 ? 17.387 -60.792 -52.495 1.00 109.50 ? 205 THR H CB 1 ATOM 4845 O OG1 . THR C 3 197 ? 17.325 -61.948 -53.335 1.00 115.44 ? 205 THR H OG1 1 ATOM 4846 C CG2 . THR C 3 197 ? 17.948 -59.620 -53.284 1.00 106.73 ? 205 THR H CG2 1 ATOM 4847 N N . VAL C 3 198 ? 19.069 -59.267 -49.950 1.00 100.36 ? 206 VAL H N 1 ATOM 4848 C CA . VAL C 3 198 ? 18.979 -58.095 -49.081 1.00 96.82 ? 206 VAL H CA 1 ATOM 4849 C C . VAL C 3 198 ? 18.560 -56.895 -49.911 1.00 94.80 ? 206 VAL H C 1 ATOM 4850 O O . VAL C 3 198 ? 18.851 -56.805 -51.105 1.00 95.50 ? 206 VAL H O 1 ATOM 4851 C CB . VAL C 3 198 ? 20.317 -57.769 -48.365 1.00 94.54 ? 206 VAL H CB 1 ATOM 4852 C CG1 . VAL C 3 198 ? 20.862 -58.995 -47.646 1.00 97.27 ? 206 VAL H CG1 1 ATOM 4853 C CG2 . VAL C 3 198 ? 21.337 -57.224 -49.349 1.00 93.93 ? 206 VAL H CG2 1 ATOM 4854 N N . THR C 3 199 ? 17.864 -55.979 -49.258 1.00 92.88 ? 207 THR H N 1 ATOM 4855 C CA . THR C 3 199 ? 17.380 -54.765 -49.907 1.00 90.91 ? 207 THR H CA 1 ATOM 4856 C C . THR C 3 199 ? 17.629 -53.532 -49.057 1.00 87.73 ? 207 THR H C 1 ATOM 4857 O O . THR C 3 199 ? 17.538 -53.563 -47.830 1.00 87.15 ? 207 THR H O 1 ATOM 4858 C CB . THR C 3 199 ? 15.863 -54.851 -50.205 1.00 93.35 ? 207 THR H CB 1 ATOM 4859 O OG1 . THR C 3 199 ? 15.576 -56.047 -50.941 1.00 96.03 ? 207 THR H OG1 1 ATOM 4860 C CG2 . THR C 3 199 ? 15.405 -53.642 -51.004 1.00 92.00 ? 207 THR H CG2 1 ATOM 4861 N N . CYS C 3 200 ? 17.950 -52.449 -49.745 1.00 86.11 ? 208 CYS H N 1 ATOM 4862 C CA . CYS C 3 200 ? 18.091 -51.138 -49.117 1.00 83.61 ? 208 CYS H CA 1 ATOM 4863 C C . CYS C 3 200 ? 16.809 -50.364 -49.331 1.00 82.79 ? 208 CYS H C 1 ATOM 4864 O O . CYS C 3 200 ? 16.189 -50.443 -50.387 1.00 84.88 ? 208 CYS H O 1 ATOM 4865 C CB . CYS C 3 200 ? 19.268 -50.361 -49.715 1.00 82.43 ? 208 CYS H CB 1 ATOM 4866 S SG . CYS C 3 200 ? 19.597 -48.778 -48.887 1.00 84.18 ? 208 CYS H SG 1 ATOM 4867 N N . ASN C 3 201 ? 16.434 -49.595 -48.322 1.00 80.59 ? 209 ASN H N 1 ATOM 4868 C CA . ASN C 3 201 ? 15.174 -48.857 -48.348 1.00 80.66 ? 209 ASN H CA 1 ATOM 4869 C C . ASN C 3 201 ? 15.351 -47.423 -47.899 1.00 77.90 ? 209 ASN H C 1 ATOM 4870 O O . ASN C 3 201 ? 15.122 -47.085 -46.738 1.00 77.89 ? 209 ASN H O 1 ATOM 4871 C CB . ASN C 3 201 ? 14.133 -49.534 -47.463 1.00 83.16 ? 209 ASN H CB 1 ATOM 4872 C CG . ASN C 3 201 ? 13.949 -50.994 -47.797 1.00 86.13 ? 209 ASN H CG 1 ATOM 4873 O OD1 . ASN C 3 201 ? 14.125 -51.865 -46.943 1.00 88.20 ? 209 ASN H OD1 1 ATOM 4874 N ND2 . ASN C 3 201 ? 13.588 -51.274 -49.044 1.00 85.91 ? 209 ASN H ND2 1 ATOM 4875 N N . VAL C 3 202 ? 15.758 -46.587 -48.841 1.00 75.86 ? 210 VAL H N 1 ATOM 4876 C CA . VAL C 3 202 ? 15.989 -45.173 -48.568 1.00 73.07 ? 210 VAL H CA 1 ATOM 4877 C C . VAL C 3 202 ? 14.718 -44.398 -48.829 1.00 73.79 ? 210 VAL H C 1 ATOM 4878 O O . VAL C 3 202 ? 13.932 -44.737 -49.701 1.00 75.71 ? 210 VAL H O 1 ATOM 4879 C CB . VAL C 3 202 ? 17.135 -44.591 -49.423 1.00 71.38 ? 210 VAL H CB 1 ATOM 4880 C CG1 . VAL C 3 202 ? 17.472 -43.185 -48.958 1.00 67.42 ? 210 VAL H CG1 1 ATOM 4881 C CG2 . VAL C 3 202 ? 18.359 -45.485 -49.341 1.00 70.22 ? 210 VAL H CG2 1 ATOM 4882 N N . ALA C 3 203 ? 14.533 -43.352 -48.045 1.00 73.17 ? 211 ALA H N 1 ATOM 4883 C CA . ALA C 3 203 ? 13.378 -42.470 -48.194 1.00 74.99 ? 211 ALA H CA 1 ATOM 4884 C C . ALA C 3 203 ? 13.733 -41.026 -47.862 1.00 74.50 ? 211 ALA H C 1 ATOM 4885 O O . ALA C 3 203 ? 14.413 -40.746 -46.876 1.00 73.23 ? 211 ALA H O 1 ATOM 4886 C CB . ALA C 3 203 ? 12.235 -42.951 -47.324 1.00 77.22 ? 211 ALA H CB 1 ATOM 4887 N N . HIS C 3 204 ? 13.273 -40.122 -48.715 1.00 76.10 ? 212 HIS H N 1 ATOM 4888 C CA . HIS C 3 204 ? 13.541 -38.695 -48.560 1.00 75.93 ? 212 HIS H CA 1 ATOM 4889 C C . HIS C 3 204 ? 12.232 -37.919 -48.515 1.00 79.08 ? 212 HIS H C 1 ATOM 4890 O O . HIS C 3 204 ? 11.669 -37.560 -49.549 1.00 80.42 ? 212 HIS H O 1 ATOM 4891 C CB . HIS C 3 204 ? 14.432 -38.192 -49.698 1.00 75.06 ? 212 HIS H CB 1 ATOM 4892 C CG . HIS C 3 204 ? 14.933 -36.797 -49.500 1.00 73.53 ? 212 HIS H CG 1 ATOM 4893 N ND1 . HIS C 3 204 ? 14.862 -35.833 -50.482 1.00 72.02 ? 212 HIS H ND1 1 ATOM 4894 C CD2 . HIS C 3 204 ? 15.511 -36.203 -48.430 1.00 70.95 ? 212 HIS H CD2 1 ATOM 4895 C CE1 . HIS C 3 204 ? 15.379 -34.705 -50.027 1.00 71.76 ? 212 HIS H CE1 1 ATOM 4896 N NE2 . HIS C 3 204 ? 15.781 -34.903 -48.784 1.00 69.94 ? 212 HIS H NE2 1 ATOM 4897 N N . PRO C 3 205 ? 11.752 -37.646 -47.300 1.00 81.02 ? 213 PRO H N 1 ATOM 4898 C CA . PRO C 3 205 ? 10.459 -37.030 -47.030 1.00 83.81 ? 213 PRO H CA 1 ATOM 4899 C C . PRO C 3 205 ? 10.261 -35.818 -47.910 1.00 84.71 ? 213 PRO H C 1 ATOM 4900 O O . PRO C 3 205 ? 9.213 -35.638 -48.522 1.00 87.81 ? 213 PRO H O 1 ATOM 4901 C CB . PRO C 3 205 ? 10.583 -36.586 -45.572 1.00 83.79 ? 213 PRO H CB 1 ATOM 4902 C CG . PRO C 3 205 ? 12.063 -36.458 -45.336 1.00 82.55 ? 213 PRO H CG 1 ATOM 4903 C CD . PRO C 3 205 ? 12.661 -37.558 -46.148 1.00 80.18 ? 213 PRO H CD 1 ATOM 4904 N N . ALA C 3 206 ? 11.303 -35.005 -47.957 1.00 83.07 ? 214 ALA H N 1 ATOM 4905 C CA . ALA C 3 206 ? 11.288 -33.735 -48.697 1.00 84.35 ? 214 ALA H CA 1 ATOM 4906 C C . ALA C 3 206 ? 10.762 -33.864 -50.124 1.00 86.16 ? 214 ALA H C 1 ATOM 4907 O O . ALA C 3 206 ? 9.668 -33.394 -50.446 1.00 89.19 ? 214 ALA H O 1 ATOM 4908 C CB . ALA C 3 206 ? 12.685 -33.116 -48.723 1.00 82.57 ? 214 ALA H CB 1 ATOM 4909 N N . SER C 3 207 ? 11.573 -34.480 -50.974 1.00 84.85 ? 215 SER H N 1 ATOM 4910 C CA . SER C 3 207 ? 11.282 -34.576 -52.411 1.00 86.78 ? 215 SER H CA 1 ATOM 4911 C C . SER C 3 207 ? 10.179 -35.580 -52.685 1.00 89.19 ? 215 SER H C 1 ATOM 4912 O O . SER C 3 207 ? 9.690 -35.703 -53.810 1.00 92.01 ? 215 SER H O 1 ATOM 4913 C CB . SER C 3 207 ? 12.535 -34.975 -53.196 1.00 85.31 ? 215 SER H CB 1 ATOM 4914 O OG . SER C 3 207 ? 12.870 -36.332 -52.967 1.00 83.90 ? 215 SER H OG 1 ATOM 4915 N N . SER C 3 208 ? 9.798 -36.291 -51.635 1.00 88.74 ? 216 SER H N 1 ATOM 4916 C CA . SER C 3 208 ? 8.758 -37.316 -51.719 1.00 91.05 ? 216 SER H CA 1 ATOM 4917 C C . SER C 3 208 ? 9.277 -38.521 -52.486 1.00 90.09 ? 216 SER H C 1 ATOM 4918 O O . SER C 3 208 ? 8.526 -39.223 -53.163 1.00 93.16 ? 216 SER H O 1 ATOM 4919 C CB . SER C 3 208 ? 7.502 -36.762 -52.400 1.00 95.33 ? 216 SER H CB 1 ATOM 4920 O OG . SER C 3 208 ? 7.259 -35.417 -52.020 1.00 96.17 ? 216 SER H OG 1 ATOM 4921 N N . THR C 3 209 ? 10.581 -38.731 -52.376 1.00 86.28 ? 217 THR H N 1 ATOM 4922 C CA . THR C 3 209 ? 11.245 -39.889 -52.990 1.00 85.20 ? 217 THR H CA 1 ATOM 4923 C C . THR C 3 209 ? 11.418 -41.058 -52.028 1.00 84.43 ? 217 THR H C 1 ATOM 4924 O O . THR C 3 209 ? 11.751 -40.897 -50.854 1.00 82.37 ? 217 THR H O 1 ATOM 4925 C CB . THR C 3 209 ? 12.635 -39.530 -53.591 1.00 82.67 ? 217 THR H CB 1 ATOM 4926 O OG1 . THR C 3 209 ? 13.271 -40.714 -54.086 1.00 80.28 ? 217 THR H OG1 1 ATOM 4927 C CG2 . THR C 3 209 ? 13.535 -38.918 -52.559 1.00 79.94 ? 217 THR H CG2 1 ATOM 4928 N N . LYS C 3 210 ? 11.154 -42.239 -52.564 1.00 86.73 ? 218 LYS H N 1 ATOM 4929 C CA . LYS C 3 210 ? 11.448 -43.505 -51.890 1.00 86.41 ? 218 LYS H CA 1 ATOM 4930 C C . LYS C 3 210 ? 12.156 -44.429 -52.867 1.00 86.55 ? 218 LYS H C 1 ATOM 4931 O O . LYS C 3 210 ? 11.823 -44.469 -54.052 1.00 89.49 ? 218 LYS H O 1 ATOM 4932 C CB . LYS C 3 210 ? 10.167 -44.169 -51.383 1.00 89.47 ? 218 LYS H CB 1 ATOM 4933 C CG . LYS C 3 210 ? 9.327 -43.291 -50.472 1.00 91.99 ? 218 LYS H CG 1 ATOM 4934 C CD . LYS C 3 210 ? 7.926 -43.862 -50.294 1.00 98.53 ? 218 LYS H CD 1 ATOM 4935 C CE . LYS C 3 210 ? 6.989 -42.854 -49.637 1.00 101.00 ? 218 LYS H CE 1 ATOM 4936 N NZ . LYS C 3 210 ? 5.573 -43.318 -49.617 1.00 105.80 ? 218 LYS H NZ 1 ATOM 4937 N N . VAL C 3 211 ? 13.141 -45.158 -52.367 1.00 84.34 ? 219 VAL H N 1 ATOM 4938 C CA . VAL C 3 211 ? 13.963 -46.004 -53.230 1.00 84.72 ? 219 VAL H CA 1 ATOM 4939 C C . VAL C 3 211 ? 14.389 -47.316 -52.593 1.00 85.40 ? 219 VAL H C 1 ATOM 4940 O O . VAL C 3 211 ? 15.131 -47.348 -51.610 1.00 83.30 ? 219 VAL H O 1 ATOM 4941 C CB . VAL C 3 211 ? 15.222 -45.255 -53.695 1.00 82.48 ? 219 VAL H CB 1 ATOM 4942 C CG1 . VAL C 3 211 ? 16.156 -46.202 -54.431 1.00 82.33 ? 219 VAL H CG1 1 ATOM 4943 C CG2 . VAL C 3 211 ? 14.839 -44.068 -54.572 1.00 81.52 ? 219 VAL H CG2 1 ATOM 4944 N N . ASP C 3 212 ? 13.905 -48.393 -53.192 1.00 89.25 ? 220 ASP H N 1 ATOM 4945 C CA . ASP C 3 212 ? 14.256 -49.750 -52.784 1.00 90.73 ? 220 ASP H CA 1 ATOM 4946 C C . ASP C 3 212 ? 15.320 -50.282 -53.721 1.00 91.69 ? 220 ASP H C 1 ATOM 4947 O O . ASP C 3 212 ? 15.032 -50.673 -54.855 1.00 95.07 ? 220 ASP H O 1 ATOM 4948 C CB . ASP C 3 212 ? 13.027 -50.654 -52.812 1.00 94.55 ? 220 ASP H CB 1 ATOM 4949 C CG . ASP C 3 212 ? 11.899 -50.115 -51.961 1.00 96.98 ? 220 ASP H CG 1 ATOM 4950 O OD1 . ASP C 3 212 ? 12.201 -49.597 -50.863 1.00 96.79 ? 220 ASP H OD1 1 ATOM 4951 O OD2 . ASP C 3 212 ? 10.722 -50.205 -52.381 1.00 100.86 ? 220 ASP H OD2 1 ATOM 4952 N N . LYS C 3 213 ? 16.556 -50.280 -53.238 1.00 89.53 ? 221 LYS H N 1 ATOM 4953 C CA . LYS C 3 213 ? 17.699 -50.664 -54.060 1.00 90.39 ? 221 LYS H CA 1 ATOM 4954 C C . LYS C 3 213 ? 18.341 -51.948 -53.567 1.00 91.39 ? 221 LYS H C 1 ATOM 4955 O O . LYS C 3 213 ? 19.114 -51.956 -52.608 1.00 89.41 ? 221 LYS H O 1 ATOM 4956 C CB . LYS C 3 213 ? 18.731 -49.537 -54.113 1.00 87.91 ? 221 LYS H CB 1 ATOM 4957 C CG . LYS C 3 213 ? 19.359 -49.363 -55.488 1.00 89.65 ? 221 LYS H CG 1 ATOM 4958 C CD . LYS C 3 213 ? 18.354 -48.770 -56.474 1.00 92.78 ? 221 LYS H CD 1 ATOM 4959 C CE . LYS C 3 213 ? 18.688 -49.121 -57.919 1.00 96.63 ? 221 LYS H CE 1 ATOM 4960 N NZ . LYS C 3 213 ? 17.497 -49.030 -58.822 1.00 97.25 ? 221 LYS H NZ 1 ATOM 4961 N N . LYS C 3 214 ? 18.002 -53.030 -54.255 1.00 95.19 ? 222 LYS H N 1 ATOM 4962 C CA . LYS C 3 214 ? 18.531 -54.355 -53.934 1.00 97.27 ? 222 LYS H CA 1 ATOM 4963 C C . LYS C 3 214 ? 20.019 -54.418 -54.208 1.00 96.96 ? 222 LYS H C 1 ATOM 4964 O O . LYS C 3 214 ? 20.483 -54.121 -55.307 1.00 97.94 ? 222 LYS H O 1 ATOM 4965 C CB . LYS C 3 214 ? 17.806 -55.455 -54.719 1.00 101.70 ? 222 LYS H CB 1 ATOM 4966 C CG . LYS C 3 214 ? 16.379 -55.679 -54.260 1.00 104.03 ? 222 LYS H CG 1 ATOM 4967 C CD . LYS C 3 214 ? 15.828 -56.990 -54.781 1.00 110.52 ? 222 LYS H CD 1 ATOM 4968 C CE . LYS C 3 214 ? 14.577 -57.394 -54.020 1.00 113.37 ? 222 LYS H CE 1 ATOM 4969 N NZ . LYS C 3 214 ? 14.069 -58.731 -54.433 1.00 118.93 ? 222 LYS H NZ 1 ATOM 4970 N N . ILE C 3 215 ? 20.759 -54.813 -53.182 1.00 96.49 ? 223 ILE H N 1 ATOM 4971 C CA . ILE C 3 215 ? 22.218 -54.885 -53.263 1.00 96.89 ? 223 ILE H CA 1 ATOM 4972 C C . ILE C 3 215 ? 22.658 -56.141 -53.986 1.00 100.96 ? 223 ILE H C 1 ATOM 4973 O O . ILE C 3 215 ? 22.721 -57.226 -53.411 1.00 102.31 ? 223 ILE H O 1 ATOM 4974 C CB . ILE C 3 215 ? 22.879 -54.835 -51.878 1.00 94.81 ? 223 ILE H CB 1 ATOM 4975 C CG1 . ILE C 3 215 ? 22.636 -53.466 -51.246 1.00 91.77 ? 223 ILE H CG1 1 ATOM 4976 C CG2 . ILE C 3 215 ? 24.368 -55.098 -51.993 1.00 95.50 ? 223 ILE H CG2 1 ATOM 4977 C CD1 . ILE C 3 215 ? 23.391 -53.249 -49.959 1.00 91.32 ? 223 ILE H CD1 1 ATOM 4978 N N . VAL C 3 216 ? 22.968 -55.963 -55.262 1.00 103.69 ? 226 VAL H N 1 ATOM 4979 C CA . VAL C 3 216 ? 23.467 -57.045 -56.107 1.00 108.12 ? 226 VAL H CA 1 ATOM 4980 C C . VAL C 3 216 ? 24.944 -57.281 -55.799 1.00 109.03 ? 226 VAL H C 1 ATOM 4981 O O . VAL C 3 216 ? 25.647 -56.358 -55.386 1.00 106.63 ? 226 VAL H O 1 ATOM 4982 C CB . VAL C 3 216 ? 23.294 -56.715 -57.605 1.00 110.78 ? 226 VAL H CB 1 ATOM 4983 C CG1 . VAL C 3 216 ? 23.951 -57.777 -58.468 1.00 114.95 ? 226 VAL H CG1 1 ATOM 4984 C CG2 . VAL C 3 216 ? 21.817 -56.576 -57.939 1.00 110.31 ? 226 VAL H CG2 1 ATOM 4985 N N . PRO C 3 217 ? 25.423 -58.522 -55.989 1.00 113.04 ? 227 PRO H N 1 ATOM 4986 C CA . PRO C 3 217 ? 26.849 -58.783 -55.790 1.00 114.54 ? 227 PRO H CA 1 ATOM 4987 C C . PRO C 3 217 ? 27.715 -58.081 -56.820 1.00 116.35 ? 227 PRO H C 1 ATOM 4988 O O . PRO C 3 217 ? 27.249 -57.747 -57.908 1.00 117.97 ? 227 PRO H O 1 ATOM 4989 C CB . PRO C 3 217 ? 26.959 -60.307 -55.946 1.00 118.62 ? 227 PRO H CB 1 ATOM 4990 C CG . PRO C 3 217 ? 25.575 -60.828 -55.761 1.00 118.21 ? 227 PRO H CG 1 ATOM 4991 C CD . PRO C 3 217 ? 24.668 -59.757 -56.266 1.00 116.21 ? 227 PRO H CD 1 ATOM 4992 N N . GLY C 3 218 ? 28.967 -57.850 -56.448 1.00 116.51 ? 228 GLY H N 1 ATOM 4993 C CA . GLY C 3 218 ? 29.927 -57.183 -57.332 1.00 118.79 ? 228 GLY H CA 1 ATOM 4994 C C . GLY C 3 218 ? 31.381 -57.341 -56.918 1.00 120.94 ? 228 GLY H C 1 ATOM 4995 O O . GLY C 3 218 ? 32.152 -58.039 -57.578 1.00 125.70 ? 228 GLY H O 1 HETATM 4996 C C1 . NAG D 4 . ? -20.317 -44.194 -27.957 1.00 104.72 ? 301 NAG A C1 1 HETATM 4997 C C2 . NAG D 4 . ? -20.680 -43.130 -28.965 1.00 111.82 ? 301 NAG A C2 1 HETATM 4998 C C3 . NAG D 4 . ? -19.730 -41.963 -28.780 1.00 113.47 ? 301 NAG A C3 1 HETATM 4999 C C4 . NAG D 4 . ? -19.844 -41.480 -27.335 1.00 113.63 ? 301 NAG A C4 1 HETATM 5000 C C5 . NAG D 4 . ? -19.784 -42.636 -26.329 1.00 108.62 ? 301 NAG A C5 1 HETATM 5001 C C6 . NAG D 4 . ? -20.130 -42.147 -24.927 1.00 109.21 ? 301 NAG A C6 1 HETATM 5002 C C7 . NAG D 4 . ? -21.535 -43.729 -31.196 1.00 116.86 ? 301 NAG A C7 1 HETATM 5003 C C8 . NAG D 4 . ? -22.836 -43.023 -30.927 1.00 122.52 ? 301 NAG A C8 1 HETATM 5004 N N2 . NAG D 4 . ? -20.579 -43.739 -30.273 1.00 111.61 ? 301 NAG A N2 1 HETATM 5005 O O3 . NAG D 4 . ? -20.062 -40.936 -29.687 1.00 119.68 ? 301 NAG A O3 1 HETATM 5006 O O4 . NAG D 4 . ? -18.797 -40.578 -27.052 1.00 113.89 ? 301 NAG A O4 1 HETATM 5007 O O5 . NAG D 4 . ? -20.648 -43.704 -26.678 1.00 106.26 ? 301 NAG A O5 1 HETATM 5008 O O6 . NAG D 4 . ? -19.077 -42.478 -24.047 1.00 105.07 ? 301 NAG A O6 1 HETATM 5009 O O7 . NAG D 4 . ? -21.346 -44.287 -32.269 1.00 118.53 ? 301 NAG A O7 1 HETATM 5010 C C1 . NAG E 4 . ? -24.971 -45.306 -7.807 1.00 118.05 ? 401 NAG A C1 1 HETATM 5011 C C2 . NAG E 4 . ? -24.153 -44.387 -6.897 1.00 120.59 ? 401 NAG A C2 1 HETATM 5012 C C3 . NAG E 4 . ? -25.100 -43.595 -6.002 1.00 124.80 ? 401 NAG A C3 1 HETATM 5013 C C4 . NAG E 4 . ? -26.231 -42.989 -6.829 1.00 129.42 ? 401 NAG A C4 1 HETATM 5014 C C5 . NAG E 4 . ? -26.766 -43.992 -7.851 1.00 127.27 ? 401 NAG A C5 1 HETATM 5015 C C6 . NAG E 4 . ? -27.808 -43.323 -8.739 1.00 131.29 ? 401 NAG A C6 1 HETATM 5016 C C7 . NAG E 4 . ? -22.035 -45.556 -6.482 1.00 113.23 ? 401 NAG A C7 1 HETATM 5017 C C8 . NAG E 4 . ? -21.187 -46.236 -5.451 1.00 110.47 ? 401 NAG A C8 1 HETATM 5018 N N2 . NAG E 4 . ? -23.202 -45.081 -6.046 1.00 117.61 ? 401 NAG A N2 1 HETATM 5019 O O3 . NAG E 4 . ? -24.380 -42.578 -5.347 1.00 125.72 ? 401 NAG A O3 1 HETATM 5020 O O4 . NAG E 4 . ? -27.280 -42.579 -5.981 1.00 136.07 ? 401 NAG A O4 1 HETATM 5021 O O5 . NAG E 4 . ? -25.691 -44.447 -8.646 1.00 122.77 ? 401 NAG A O5 1 HETATM 5022 O O6 . NAG E 4 . ? -28.950 -43.006 -7.974 1.00 135.19 ? 401 NAG A O6 1 HETATM 5023 O O7 . NAG E 4 . ? -21.650 -45.474 -7.650 1.00 112.48 ? 401 NAG A O7 1 HETATM 5024 C C1 . NAG F 4 . ? -6.697 -60.031 -34.210 1.00 49.93 ? 501 NAG A C1 1 HETATM 5025 C C2 . NAG F 4 . ? -5.596 -60.761 -34.968 1.00 49.59 ? 501 NAG A C2 1 HETATM 5026 C C3 . NAG F 4 . ? -4.422 -61.076 -34.044 1.00 51.21 ? 501 NAG A C3 1 HETATM 5027 C C4 . NAG F 4 . ? -3.950 -59.807 -33.340 1.00 52.44 ? 501 NAG A C4 1 HETATM 5028 C C5 . NAG F 4 . ? -5.144 -59.084 -32.722 1.00 51.92 ? 501 NAG A C5 1 HETATM 5029 C C6 . NAG F 4 . ? -4.724 -57.751 -32.117 1.00 53.32 ? 501 NAG A C6 1 HETATM 5030 C C7 . NAG F 4 . ? -6.110 -62.218 -36.881 1.00 47.45 ? 501 NAG A C7 1 HETATM 5031 C C8 . NAG F 4 . ? -6.748 -63.507 -37.306 1.00 46.94 ? 501 NAG A C8 1 HETATM 5032 N N2 . NAG F 4 . ? -6.150 -61.961 -35.573 1.00 49.03 ? 501 NAG A N2 1 HETATM 5033 O O3 . NAG F 4 . ? -3.360 -61.620 -34.795 1.00 53.79 ? 501 NAG A O3 1 HETATM 5034 O O4 . NAG F 4 . ? -3.019 -60.108 -32.308 1.00 53.93 ? 501 NAG A O4 1 HETATM 5035 O O5 . NAG F 4 . ? -6.146 -58.843 -33.690 1.00 51.09 ? 501 NAG A O5 1 HETATM 5036 O O6 . NAG F 4 . ? -4.079 -56.996 -33.121 1.00 58.08 ? 501 NAG A O6 1 HETATM 5037 O O7 . NAG F 4 . ? -5.588 -61.485 -37.721 1.00 47.65 ? 501 NAG A O7 1 HETATM 5038 C C1 . NAG G 4 . ? -1.650 -59.929 -32.736 1.00 58.28 ? 502 NAG A C1 1 HETATM 5039 C C2 . NAG G 4 . ? -0.873 -59.855 -31.418 1.00 62.43 ? 502 NAG A C2 1 HETATM 5040 C C3 . NAG G 4 . ? 0.604 -59.638 -31.688 1.00 69.79 ? 502 NAG A C3 1 HETATM 5041 C C4 . NAG G 4 . ? 1.117 -60.696 -32.636 1.00 75.06 ? 502 NAG A C4 1 HETATM 5042 C C5 . NAG G 4 . ? 0.252 -60.704 -33.892 1.00 70.04 ? 502 NAG A C5 1 HETATM 5043 C C6 . NAG G 4 . ? 0.706 -61.775 -34.865 1.00 72.80 ? 502 NAG A C6 1 HETATM 5044 C C7 . NAG G 4 . ? -2.318 -58.955 -29.648 1.00 58.34 ? 502 NAG A C7 1 HETATM 5045 C C8 . NAG G 4 . ? -2.853 -60.338 -29.406 1.00 55.35 ? 502 NAG A C8 1 HETATM 5046 N N2 . NAG G 4 . ? -1.388 -58.781 -30.585 1.00 59.20 ? 502 NAG A N2 1 HETATM 5047 O O3 . NAG G 4 . ? 1.326 -59.761 -30.496 1.00 73.74 ? 502 NAG A O3 1 HETATM 5048 O O4 . NAG G 4 . ? 2.463 -60.377 -32.911 1.00 88.02 ? 502 NAG A O4 1 HETATM 5049 O O5 . NAG G 4 . ? -1.103 -60.944 -33.552 1.00 61.27 ? 502 NAG A O5 1 HETATM 5050 O O6 . NAG G 4 . ? 0.105 -61.514 -36.114 1.00 73.47 ? 502 NAG A O6 1 HETATM 5051 O O7 . NAG G 4 . ? -2.744 -58.014 -28.984 1.00 60.33 ? 502 NAG A O7 1 HETATM 5052 C C1 . BMA H 5 . ? 3.346 -61.413 -32.421 1.00 99.27 ? 503 BMA A C1 1 HETATM 5053 C C2 . BMA H 5 . ? 4.711 -61.287 -33.084 1.00 107.48 ? 503 BMA A C2 1 HETATM 5054 C C3 . BMA H 5 . ? 5.561 -62.500 -32.736 1.00 114.42 ? 503 BMA A C3 1 HETATM 5055 C C4 . BMA H 5 . ? 5.517 -62.812 -31.253 1.00 113.79 ? 503 BMA A C4 1 HETATM 5056 C C5 . BMA H 5 . ? 4.139 -62.619 -30.630 1.00 110.30 ? 503 BMA A C5 1 HETATM 5057 C C6 . BMA H 5 . ? 4.304 -62.657 -29.120 1.00 113.90 ? 503 BMA A C6 1 HETATM 5058 O O2 . BMA H 5 . ? 5.368 -60.120 -32.640 1.00 107.80 ? 503 BMA A O2 1 HETATM 5059 O O3 . BMA H 5 . ? 6.910 -62.270 -33.065 1.00 123.99 ? 503 BMA A O3 1 HETATM 5060 O O4 . BMA H 5 . ? 5.933 -64.147 -31.071 1.00 116.06 ? 503 BMA A O4 1 HETATM 5061 O O5 . BMA H 5 . ? 3.550 -61.400 -31.030 1.00 102.29 ? 503 BMA A O5 1 HETATM 5062 O O6 . BMA H 5 . ? 3.134 -63.135 -28.506 1.00 117.58 ? 503 BMA A O6 1 HETATM 5063 C C1 . MAN I 6 . ? 3.225 -62.821 -27.101 1.00 123.92 ? 504 MAN A C1 1 HETATM 5064 C C2 . MAN I 6 . ? 2.098 -63.525 -26.361 1.00 123.56 ? 504 MAN A C2 1 HETATM 5065 C C3 . MAN I 6 . ? 0.752 -62.955 -26.783 1.00 120.39 ? 504 MAN A C3 1 HETATM 5066 C C4 . MAN I 6 . ? 0.727 -61.425 -26.765 1.00 119.47 ? 504 MAN A C4 1 HETATM 5067 C C5 . MAN I 6 . ? 2.005 -60.807 -27.323 1.00 122.61 ? 504 MAN A C5 1 HETATM 5068 C C6 . MAN I 6 . ? 2.067 -59.319 -26.998 1.00 121.91 ? 504 MAN A C6 1 HETATM 5069 O O2 . MAN I 6 . ? 2.259 -63.364 -24.969 1.00 124.56 ? 504 MAN A O2 1 HETATM 5070 O O3 . MAN I 6 . ? -0.237 -63.458 -25.911 1.00 118.89 ? 504 MAN A O3 1 HETATM 5071 O O4 . MAN I 6 . ? -0.357 -60.949 -27.537 1.00 117.60 ? 504 MAN A O4 1 HETATM 5072 O O5 . MAN I 6 . ? 3.157 -61.439 -26.808 1.00 124.41 ? 504 MAN A O5 1 HETATM 5073 O O6 . MAN I 6 . ? 3.389 -58.865 -27.187 1.00 125.39 ? 504 MAN A O6 1 HETATM 5074 C C1 . MAN J 6 . ? 7.426 -63.455 -33.686 1.00 130.90 ? 505 MAN A C1 1 HETATM 5075 C C2 . MAN J 6 . ? 8.942 -63.427 -33.608 1.00 137.98 ? 505 MAN A C2 1 HETATM 5076 C C3 . MAN J 6 . ? 9.482 -62.232 -34.386 1.00 141.63 ? 505 MAN A C3 1 HETATM 5077 C C4 . MAN J 6 . ? 8.817 -62.113 -35.755 1.00 141.04 ? 505 MAN A C4 1 HETATM 5078 C C5 . MAN J 6 . ? 7.305 -62.252 -35.614 1.00 134.51 ? 505 MAN A C5 1 HETATM 5079 C C6 . MAN J 6 . ? 6.580 -62.169 -36.945 1.00 133.98 ? 505 MAN A C6 1 HETATM 5080 O O2 . MAN J 6 . ? 9.456 -64.626 -34.142 1.00 142.79 ? 505 MAN A O2 1 HETATM 5081 O O3 . MAN J 6 . ? 10.878 -62.358 -34.548 1.00 149.34 ? 505 MAN A O3 1 HETATM 5082 O O4 . MAN J 6 . ? 9.151 -60.872 -36.337 1.00 143.06 ? 505 MAN A O4 1 HETATM 5083 O O5 . MAN J 6 . ? 7.038 -63.502 -35.031 1.00 132.46 ? 505 MAN A O5 1 HETATM 5084 O O6 . MAN J 6 . ? 5.307 -61.609 -36.718 1.00 128.07 ? 505 MAN A O6 1 HETATM 5085 C C1 . FUC K 7 . ? -3.400 -55.855 -32.564 1.00 61.05 ? 506 FUC A C1 1 HETATM 5086 C C2 . FUC K 7 . ? -2.835 -55.064 -33.733 1.00 64.24 ? 506 FUC A C2 1 HETATM 5087 C C3 . FUC K 7 . ? -3.949 -54.388 -34.519 1.00 64.05 ? 506 FUC A C3 1 HETATM 5088 C C4 . FUC K 7 . ? -4.858 -53.600 -33.586 1.00 62.26 ? 506 FUC A C4 1 HETATM 5089 C C5 . FUC K 7 . ? -5.331 -54.479 -32.434 1.00 59.41 ? 506 FUC A C5 1 HETATM 5090 C C6 . FUC K 7 . ? -6.180 -53.679 -31.453 1.00 58.18 ? 506 FUC A C6 1 HETATM 5091 O O2 . FUC K 7 . ? -2.158 -55.961 -34.581 1.00 66.81 ? 506 FUC A O2 1 HETATM 5092 O O3 . FUC K 7 . ? -3.391 -53.525 -35.485 1.00 66.26 ? 506 FUC A O3 1 HETATM 5093 O O4 . FUC K 7 . ? -4.164 -52.483 -33.077 1.00 63.68 ? 506 FUC A O4 1 HETATM 5094 O O5 . FUC K 7 . ? -4.213 -55.020 -31.761 1.00 59.57 ? 506 FUC A O5 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . VAL A 10 ? 1.1304 1.2861 1.0571 0.3664 0.0342 0.0655 8 VAL A N 2 C CA . VAL A 10 ? 1.2093 1.3359 1.0835 0.4270 0.0136 0.0574 8 VAL A CA 3 C C . VAL A 10 ? 1.1787 1.3506 1.0813 0.4205 0.0056 0.0623 8 VAL A C 4 O O . VAL A 10 ? 1.2476 1.3905 1.1062 0.4640 -0.0135 0.0591 8 VAL A O 5 C CB . VAL A 10 ? 1.2358 1.4374 1.1152 0.4894 0.0089 0.0364 8 VAL A CB 6 C CG1 . VAL A 10 ? 1.2967 1.4782 1.1245 0.5594 -0.0154 0.0270 8 VAL A CG1 7 C CG2 . VAL A 10 ? 1.2854 1.4309 1.1247 0.5009 0.0158 0.0296 8 VAL A CG2 8 N N . SER A 11 ? 1.0781 1.3153 1.0479 0.3674 0.0190 0.0697 9 SER A N 9 C CA . SER A 11 ? 1.0330 1.3090 1.0288 0.3516 0.0133 0.0745 9 SER A CA 10 C C . SER A 11 ? 0.9411 1.2345 0.9839 0.2872 0.0295 0.0855 9 SER A C 11 O O . SER A 11 ? 0.8937 1.2623 0.9884 0.2623 0.0412 0.0829 9 SER A O 12 C CB . SER A 11 ? 1.0187 1.4187 1.0548 0.3840 0.0046 0.0601 9 SER A CB 13 O OG . SER A 11 ? 0.9876 1.4838 1.0768 0.3712 0.0188 0.0514 9 SER A OG 14 N N . SER A 12 ? 0.9175 1.1374 0.9345 0.2621 0.0295 0.0971 10 SER A N 15 C CA . SER A 12 ? 0.8395 1.0548 0.8871 0.2091 0.0443 0.1067 10 SER A CA 16 C C . SER A 12 ? 0.7651 1.0507 0.8582 0.1855 0.0461 0.1061 10 SER A C 17 O O . SER A 12 ? 0.7779 1.0637 0.8604 0.1899 0.0367 0.1065 10 SER A O 18 C CB . SER A 12 ? 0.8717 0.9956 0.8750 0.1910 0.0452 0.1167 10 SER A CB 19 O OG . SER A 12 ? 0.9291 0.9803 0.8846 0.1976 0.0453 0.1184 10 SER A OG 20 N N . PRO A 13 ? 0.6865 1.0236 0.8221 0.1572 0.0573 0.1055 11 PRO A N 21 C CA . PRO A 13 ? 0.6390 1.0113 0.7991 0.1263 0.0589 0.1067 11 PRO A CA 22 C C . PRO A 13 ? 0.6263 0.9370 0.7627 0.1154 0.0577 0.1135 11 PRO A C 23 O O . PRO A 13 ? 0.6396 0.8882 0.7566 0.1092 0.0640 0.1198 11 PRO A O 24 C CB . PRO A 13 ? 0.6175 0.9993 0.8011 0.0924 0.0721 0.1101 11 PRO A CB 25 C CG . PRO A 13 ? 0.6247 1.0251 0.8120 0.1096 0.0757 0.1063 11 PRO A CG 26 C CD . PRO A 13 ? 0.6660 1.0154 0.8181 0.1469 0.0683 0.1051 11 PRO A CD 27 N N . GLN A 14 ? 0.5952 0.9314 0.7336 0.1097 0.0502 0.1112 12 GLN A N 28 C CA . GLN A 14 ? 0.5835 0.8688 0.6959 0.1016 0.0484 0.1157 12 GLN A CA 29 C C . GLN A 14 ? 0.5373 0.8299 0.6637 0.0664 0.0548 0.1158 12 GLN A C 30 O O . GLN A 14 ? 0.5052 0.8503 0.6515 0.0498 0.0525 0.1112 12 GLN A O 31 C CB . GLN A 14 ? 0.6223 0.9169 0.7109 0.1295 0.0311 0.1125 12 GLN A CB 32 C CG . GLN A 14 ? 0.6676 0.8894 0.7107 0.1315 0.0284 0.1187 12 GLN A CG 33 C CD . GLN A 14 ? 0.7299 0.9574 0.7432 0.1616 0.0082 0.1162 12 GLN A CD 34 O OE1 . GLN A 14 ? 0.7233 1.0091 0.7549 0.1579 -0.0008 0.1108 12 GLN A OE1 35 N NE2 . GLN A 14 ? 0.8335 0.9976 0.7943 0.1913 -0.0010 0.1200 12 GLN A NE2 36 N N . LEU A 15 ? 0.5268 0.7656 0.6367 0.0542 0.0628 0.1200 13 LEU A N 37 C CA . LEU A 15 ? 0.5081 0.7377 0.6212 0.0276 0.0693 0.1187 13 LEU A CA 38 C C . LEU A 15 ? 0.5220 0.7120 0.6079 0.0243 0.0711 0.1185 13 LEU A C 39 O O . LEU A 15 ? 0.5269 0.6822 0.5995 0.0282 0.0792 0.1215 13 LEU A O 40 C CB . LEU A 15 ? 0.4915 0.7052 0.6179 0.0179 0.0809 0.1213 13 LEU A CB 41 C CG . LEU A 15 ? 0.4833 0.7039 0.6151 -0.0055 0.0826 0.1196 13 LEU A CG 42 C CD1 . LEU A 15 ? 0.5081 0.7841 0.6502 -0.0179 0.0745 0.1161 13 LEU A CD1 43 C CD2 . LEU A 15 ? 0.4482 0.6550 0.5895 -0.0060 0.0901 0.1235 13 LEU A CD2 44 N N . ARG A 16 ? 0.5296 0.7305 0.6054 0.0135 0.0639 0.1142 14 ARG A N 45 C CA . ARG A 16 ? 0.5457 0.7118 0.5918 0.0091 0.0653 0.1124 14 ARG A CA 46 C C . ARG A 16 ? 0.5438 0.6867 0.5822 -0.0099 0.0733 0.1072 14 ARG A C 47 O O . ARG A 16 ? 0.5488 0.7031 0.5863 -0.0282 0.0678 0.1033 14 ARG A O 48 C CB . ARG A 16 ? 0.5699 0.7562 0.5992 0.0126 0.0493 0.1101 14 ARG A CB 49 C CG . ARG A 16 ? 0.5957 0.8011 0.6224 0.0403 0.0366 0.1134 14 ARG A CG 50 C CD . ARG A 16 ? 0.6771 0.8821 0.6724 0.0504 0.0205 0.1124 14 ARG A CD 51 N NE . ARG A 16 ? 0.7417 0.9854 0.7389 0.0823 0.0024 0.1118 14 ARG A NE 52 C CZ . ARG A 16 ? 0.8319 1.0424 0.8069 0.1125 -0.0015 0.1168 14 ARG A CZ 53 N NH1 . ARG A 16 ? 0.8873 1.0299 0.8383 0.1063 0.0120 0.1238 14 ARG A NH1 54 N NH2 . ARG A 16 ? 0.8789 1.1254 0.8516 0.1491 -0.0197 0.1136 14 ARG A NH2 55 N N . VAL A 17 ? 0.5472 0.6566 0.5737 -0.0060 0.0858 0.1061 15 VAL A N 56 C CA . VAL A 17 ? 0.5660 0.6456 0.5764 -0.0131 0.0931 0.0988 15 VAL A CA 57 C C . VAL A 17 ? 0.5740 0.6322 0.5582 -0.0090 0.1015 0.0937 15 VAL A C 58 O O . VAL A 17 ? 0.5621 0.6250 0.5444 -0.0033 0.1069 0.0975 15 VAL A O 59 C CB . VAL A 17 ? 0.5577 0.6294 0.5845 -0.0058 0.1021 0.0990 15 VAL A CB 60 C CG1 . VAL A 17 ? 0.5596 0.6513 0.6078 -0.0130 0.0954 0.1046 15 VAL A CG1 61 C CG2 . VAL A 17 ? 0.5307 0.6129 0.5712 0.0075 0.1133 0.1013 15 VAL A CG2 62 N N . HIS A 18 ? 0.5975 0.6275 0.5541 -0.0147 0.1026 0.0845 16 HIS A N 63 C CA . HIS A 18 ? 0.6158 0.6275 0.5442 -0.0098 0.1129 0.0766 16 HIS A CA 64 C C . HIS A 18 ? 0.5957 0.6138 0.5365 0.0070 0.1298 0.0719 16 HIS A C 65 O O . HIS A 18 ? 0.5777 0.5956 0.5358 0.0172 0.1312 0.0713 16 HIS A O 66 C CB . HIS A 18 ? 0.6653 0.6395 0.5537 -0.0186 0.1085 0.0660 16 HIS A CB 67 C CG . HIS A 18 ? 0.6845 0.6649 0.5587 -0.0387 0.0916 0.0684 16 HIS A CG 68 N ND1 . HIS A 18 ? 0.7230 0.7098 0.5784 -0.0413 0.0873 0.0695 16 HIS A ND1 69 C CD2 . HIS A 18 ? 0.7091 0.6968 0.5838 -0.0588 0.0772 0.0694 16 HIS A CD2 70 C CE1 . HIS A 18 ? 0.7606 0.7626 0.6091 -0.0571 0.0692 0.0705 16 HIS A CE1 71 N NE2 . HIS A 18 ? 0.7490 0.7577 0.6114 -0.0703 0.0638 0.0698 16 HIS A NE2 72 N N . VAL A 19 ? 0.6100 0.6386 0.5392 0.0087 0.1422 0.0684 17 VAL A N 73 C CA . VAL A 19 ? 0.6069 0.6597 0.5474 0.0231 0.1597 0.0600 17 VAL A CA 74 C C . VAL A 19 ? 0.6442 0.6737 0.5734 0.0446 0.1609 0.0469 17 VAL A C 75 O O . VAL A 19 ? 0.6797 0.6665 0.5716 0.0440 0.1556 0.0392 17 VAL A O 76 C CB . VAL A 19 ? 0.6275 0.6961 0.5453 0.0157 0.1749 0.0543 17 VAL A CB 77 C CG1 . VAL A 19 ? 0.6245 0.7328 0.5539 0.0336 0.1938 0.0399 17 VAL A CG1 78 C CG2 . VAL A 19 ? 0.5875 0.6661 0.5037 -0.0055 0.1743 0.0681 17 VAL A CG2 79 N N . GLY A 20 ? 0.6491 0.7011 0.6041 0.0643 0.1657 0.0443 18 GLY A N 80 C CA . GLY A 20 ? 0.7013 0.7268 0.6387 0.0945 0.1656 0.0313 18 GLY A CA 81 C C . GLY A 20 ? 0.7251 0.7043 0.6558 0.0946 0.1497 0.0383 18 GLY A C 82 O O . GLY A 20 ? 0.7777 0.7275 0.6912 0.1218 0.1467 0.0310 18 GLY A O 83 N N . GLU A 21 ? 0.7149 0.6880 0.6546 0.0652 0.1391 0.0520 19 GLU A N 84 C CA . GLU A 21 ? 0.7430 0.6790 0.6736 0.0550 0.1255 0.0592 19 GLU A CA 85 C C . GLU A 21 ? 0.7011 0.6667 0.6698 0.0628 0.1249 0.0682 19 GLU A C 86 O O . GLU A 21 ? 0.6544 0.6714 0.6589 0.0727 0.1337 0.0695 19 GLU A O 87 C CB . GLU A 21 ? 0.7427 0.6752 0.6680 0.0204 0.1148 0.0670 19 GLU A CB 88 C CG . GLU A 21 ? 0.8656 0.7649 0.7473 0.0089 0.1122 0.0581 19 GLU A CG 89 C CD . GLU A 21 ? 0.9862 0.8790 0.8540 -0.0266 0.0978 0.0629 19 GLU A CD 90 O OE1 . GLU A 21 ? 0.9847 0.9292 0.8888 -0.0387 0.0926 0.0725 19 GLU A OE1 91 O OE2 . GLU A 21 ? 1.1201 0.9573 0.9366 -0.0420 0.0912 0.0556 19 GLU A OE2 92 N N . SER A 22 ? 0.7218 0.6524 0.6767 0.0530 0.1143 0.0743 20 SER A N 93 C CA . SER A 22 ? 0.6996 0.6478 0.6812 0.0589 0.1119 0.0829 20 SER A CA 94 C C . SER A 22 ? 0.6603 0.6355 0.6664 0.0298 0.1068 0.0950 20 SER A C 95 O O . SER A 22 ? 0.6770 0.6396 0.6660 0.0036 0.1003 0.0967 20 SER A O 96 C CB . SER A 22 ? 0.7635 0.6464 0.7020 0.0736 0.1037 0.0808 20 SER A CB 97 O OG . SER A 22 ? 0.8450 0.7125 0.7644 0.1139 0.1075 0.0677 20 SER A OG 98 N N . VAL A 23 ? 0.6212 0.6391 0.6663 0.0354 0.1098 0.1016 21 VAL A N 99 C CA . VAL A 23 ? 0.5959 0.6413 0.6633 0.0167 0.1057 0.1111 21 VAL A CA 100 C C . VAL A 23 ? 0.6028 0.6448 0.6771 0.0214 0.1035 0.1169 21 VAL A C 101 O O . VAL A 23 ? 0.6121 0.6584 0.6951 0.0429 0.1061 0.1154 21 VAL A O 102 C CB . VAL A 23 ? 0.5510 0.6419 0.6489 0.0177 0.1098 0.1141 21 VAL A CB 103 C CG1 . VAL A 23 ? 0.5670 0.6662 0.6574 0.0055 0.1055 0.1133 21 VAL A CG1 104 C CG2 . VAL A 23 ? 0.5426 0.6473 0.6496 0.0333 0.1192 0.1101 21 VAL A CG2 105 N N . LEU A 24 ? 0.6134 0.6545 0.6831 -0.0003 0.0983 0.1228 22 LEU A N 106 C CA . LEU A 24 ? 0.6113 0.6548 0.6875 -0.0008 0.0966 0.1296 22 LEU A CA 107 C C . LEU A 24 ? 0.5792 0.6767 0.6890 -0.0098 0.0987 0.1335 22 LEU A C 108 O O . LEU A 24 ? 0.5559 0.6789 0.6696 -0.0259 0.0972 0.1325 22 LEU A O 109 C CB . LEU A 24 ? 0.6668 0.6576 0.6976 -0.0207 0.0900 0.1327 22 LEU A CB 110 C CG . LEU A 24 ? 0.6760 0.6497 0.6961 -0.0210 0.0867 0.1404 22 LEU A CG 111 C CD1 . LEU A 24 ? 0.7219 0.6127 0.6742 -0.0350 0.0785 0.1427 22 LEU A CD1 112 C CD2 . LEU A 24 ? 0.6744 0.7019 0.7228 -0.0421 0.0901 0.1456 22 LEU A CD2 113 N N . MET A 25 ? 0.5746 0.6914 0.7062 0.0037 0.1013 0.1365 23 MET A N 114 C CA . MET A 25 ? 0.5533 0.7096 0.7081 0.0025 0.1030 0.1384 23 MET A CA 115 C C . MET A 25 ? 0.5520 0.7131 0.7081 -0.0027 0.1024 0.1434 23 MET A C 116 O O . MET A 25 ? 0.5479 0.7014 0.7072 0.0077 0.1023 0.1458 23 MET A O 117 C CB . MET A 25 ? 0.5436 0.7108 0.7118 0.0171 0.1066 0.1369 23 MET A CB 118 C CG . MET A 25 ? 0.5723 0.7403 0.7352 0.0183 0.1070 0.1331 23 MET A CG 119 S SD . MET A 25 ? 0.6301 0.7970 0.7917 0.0253 0.1121 0.1324 23 MET A SD 120 C CE . MET A 25 ? 0.6718 0.8386 0.8380 0.0301 0.1181 0.1287 23 MET A CE 121 N N . GLY A 26 ? 0.5668 0.7479 0.7200 -0.0208 0.1020 0.1440 24 GLY A N 122 C CA . GLY A 26 ? 0.5872 0.7741 0.7345 -0.0327 0.1028 0.1485 24 GLY A CA 123 C C . GLY A 26 ? 0.5736 0.7785 0.7378 -0.0172 0.1052 0.1493 24 GLY A C 124 O O . GLY A 26 ? 0.5584 0.7811 0.7379 -0.0015 0.1065 0.1455 24 GLY A O 125 N N . CYS A 27 ? 0.6046 0.7948 0.7565 -0.0231 0.1044 0.1546 25 CYS A N 126 C CA . CYS A 27 ? 0.6050 0.8112 0.7661 -0.0142 0.1062 0.1550 25 CYS A CA 127 C C . CYS A 27 ? 0.6319 0.8270 0.7721 -0.0294 0.1056 0.1611 25 CYS A C 128 O O . CYS A 27 ? 0.6522 0.8146 0.7776 -0.0242 0.0998 0.1666 25 CYS A O 129 C CB . CYS A 27 ? 0.6003 0.7928 0.7696 0.0038 0.1035 0.1549 25 CYS A CB 130 S SG . CYS A 27 ? 0.6210 0.8275 0.7946 0.0106 0.1049 0.1532 25 CYS A SG 131 N N . VAL A 28 ? 0.6426 0.8701 0.7798 -0.0479 0.1114 0.1594 26 VAL A N 132 C CA . VAL A 28 ? 0.6790 0.8985 0.7899 -0.0698 0.1130 0.1653 26 VAL A CA 133 C C . VAL A 28 ? 0.6763 0.9491 0.7991 -0.0704 0.1216 0.1595 26 VAL A C 134 O O . VAL A 28 ? 0.6655 0.9955 0.8075 -0.0702 0.1280 0.1505 26 VAL A O 135 C CB . VAL A 28 ? 0.7162 0.9226 0.7969 -0.1057 0.1136 0.1688 26 VAL A CB 136 C CG1 . VAL A 28 ? 0.7424 0.9468 0.7897 -0.1364 0.1178 0.1747 26 VAL A CG1 137 C CG2 . VAL A 28 ? 0.7569 0.8922 0.8094 -0.1027 0.1038 0.1740 26 VAL A CG2 138 N N . VAL A 29 ? 0.6925 0.9484 0.8014 -0.0677 0.1207 0.1636 27 VAL A N 139 C CA . VAL A 29 ? 0.7035 0.9983 0.8061 -0.0780 0.1298 0.1600 27 VAL A CA 140 C C . VAL A 29 ? 0.7543 1.0406 0.8227 -0.1191 0.1328 0.1675 27 VAL A C 141 O O . VAL A 29 ? 0.8065 1.0316 0.8445 -0.1322 0.1241 0.1776 27 VAL A O 142 C CB . VAL A 29 ? 0.7050 0.9773 0.7974 -0.0643 0.1266 0.1621 27 VAL A CB 143 C CG1 . VAL A 29 ? 0.7287 1.0488 0.8211 -0.0622 0.1376 0.1526 27 VAL A CG1 144 C CG2 . VAL A 29 ? 0.6495 0.9010 0.7600 -0.0361 0.1190 0.1597 27 VAL A CG2 145 N N . GLN A 30 ? 0.7646 1.1116 0.8324 -0.1399 0.1451 0.1614 28 GLN A N 146 C CA . GLN A 30 ? 0.8301 1.1763 0.8598 -0.1904 0.1501 0.1678 28 GLN A CA 147 C C . GLN A 30 ? 0.8858 1.1317 0.8584 -0.2063 0.1388 0.1846 28 GLN A C 148 O O . GLN A 30 ? 0.8903 1.1050 0.8436 -0.1966 0.1350 0.1904 28 GLN A O 149 C CB . GLN A 30 ? 0.8427 1.2673 0.8722 -0.2111 0.1663 0.1599 28 GLN A CB 150 C CG . GLN A 30 ? 0.8696 1.2734 0.8800 -0.2004 0.1679 0.1627 28 GLN A CG 151 C CD . GLN A 30 ? 0.9440 1.4117 0.9360 -0.2348 0.1848 0.1578 28 GLN A CD 152 O OE1 . GLN A 30 ? 0.9625 1.5302 0.9845 -0.2395 0.1982 0.1429 28 GLN A OE1 153 N NE2 . GLN A 30 ? 1.0173 1.4334 0.9583 -0.2584 0.1841 0.1695 28 GLN A NE2 154 N N . ARG A 31 ? 0.9338 1.1262 0.8740 -0.2285 0.1316 0.1915 29 ARG A N 155 C CA . ARG A 31 ? 1.0155 1.1000 0.8878 -0.2389 0.1180 0.2066 29 ARG A CA 156 C C . ARG A 31 ? 1.0802 1.1461 0.8973 -0.2763 0.1225 0.2154 29 ARG A C 157 O O . ARG A 31 ? 1.1212 1.2154 0.9116 -0.3283 0.1339 0.2153 29 ARG A O 158 C CB . ARG A 31 ? 1.0714 1.0951 0.9022 -0.2631 0.1111 0.2106 29 ARG A CB 159 C CG . ARG A 31 ? 1.0404 1.0582 0.9096 -0.2245 0.1040 0.2040 29 ARG A CG 160 C CD . ARG A 31 ? 1.0172 1.1086 0.9259 -0.2412 0.1134 0.1929 29 ARG A CD 161 N NE . ARG A 31 ? 1.0869 1.1295 0.9416 -0.2847 0.1101 0.1960 29 ARG A NE 162 C CZ . ARG A 31 ? 1.1285 1.0916 0.9528 -0.2720 0.0985 0.1978 29 ARG A CZ 163 N NH1 . ARG A 31 ? 1.1122 1.0490 0.9612 -0.2170 0.0904 0.1964 29 ARG A NH1 164 N NH2 . ARG A 31 ? 1.2007 1.1118 0.9658 -0.3160 0.0953 0.1998 29 ARG A NH2 165 N N . THR A 32 ? 1.1029 1.1246 0.9005 -0.2526 0.1131 0.2229 30 THR A N 166 C CA . THR A 32 ? 1.1845 1.1624 0.9133 -0.2856 0.1127 0.2346 30 THR A CA 167 C C . THR A 32 ? 1.2626 1.1216 0.9264 -0.2659 0.0892 0.2494 30 THR A C 168 O O . THR A 32 ? 1.2500 1.0783 0.9334 -0.2215 0.0750 0.2481 30 THR A O 169 C CB . THR A 32 ? 1.1469 1.1913 0.9042 -0.2765 0.1234 0.2288 30 THR A CB 170 O OG1 . THR A 32 ? 1.1139 1.1461 0.9023 -0.2240 0.1107 0.2275 30 THR A OG1 171 C CG2 . THR A 32 ? 1.0792 1.2439 0.8993 -0.2825 0.1450 0.2111 30 THR A CG2 172 N N . GLU A 33 ? 1.3582 1.1531 0.9407 -0.2982 0.0851 0.2628 31 GLU A N 173 C CA . GLU A 33 ? 1.4553 1.1283 0.9601 -0.2767 0.0597 0.2777 31 GLU A CA 174 C C . GLU A 33 ? 1.4152 1.1100 0.9495 -0.2317 0.0499 0.2776 31 GLU A C 175 O O . GLU A 33 ? 1.4983 1.1153 0.9675 -0.2189 0.0308 0.2900 31 GLU A O 176 C CB . GLU A 33 ? 1.5917 1.1689 0.9791 -0.3337 0.0567 0.2941 31 GLU A CB 177 C CG . GLU A 33 ? 1.7272 1.1511 1.0142 -0.3162 0.0288 0.3080 31 GLU A CG 178 C CD . GLU A 33 ? 1.7823 1.1677 1.0637 -0.3151 0.0256 0.3028 31 GLU A CD 179 O OE1 . GLU A 33 ? 1.9144 1.2229 1.1093 -0.3713 0.0270 0.3102 31 GLU A OE1 180 O OE2 . GLU A 33 ? 1.7136 1.1437 1.0713 -0.2628 0.0223 0.2911 31 GLU A OE2 181 N N . GLU A 34 ? 1.2981 1.0963 0.9254 -0.2089 0.0620 0.2631 32 GLU A N 182 C CA . GLU A 34 ? 1.2521 1.0835 0.9126 -0.1741 0.0554 0.2601 32 GLU A CA 183 C C . GLU A 34 ? 1.1451 1.0345 0.8889 -0.1312 0.0543 0.2470 32 GLU A C 184 O O . GLU A 34 ? 1.0767 1.0368 0.8784 -0.1348 0.0714 0.2345 32 GLU A O 185 C CB . GLU A 34 ? 1.2430 1.1381 0.9137 -0.2016 0.0747 0.2549 32 GLU A CB 186 C CG . GLU A 34 ? 1.3749 1.2250 0.9616 -0.2522 0.0797 0.2672 32 GLU A CG 187 C CD . GLU A 34 ? 1.3773 1.3154 0.9843 -0.2848 0.1065 0.2569 32 GLU A CD 188 O OE1 . GLU A 34 ? 1.3264 1.3515 0.9999 -0.2819 0.1240 0.2410 32 GLU A OE1 189 O OE2 . GLU A 34 ? 1.4076 1.3283 0.9606 -0.3105 0.1095 0.2639 32 GLU A OE2 190 N N . LYS A 35 ? 1.1327 0.9928 0.8773 -0.0907 0.0334 0.2495 33 LYS A N 191 C CA . LYS A 35 ? 1.0367 0.9516 0.8530 -0.0550 0.0317 0.2377 33 LYS A CA 192 C C . LYS A 35 ? 0.9644 0.9464 0.8246 -0.0545 0.0406 0.2289 33 LYS A C 193 O O . LYS A 35 ? 0.9848 0.9647 0.8297 -0.0470 0.0299 0.2319 33 LYS A O 194 C CB . LYS A 35 ? 1.0610 0.9444 0.8668 -0.0124 0.0073 0.2408 33 LYS A CB 195 C CG . LYS A 35 ? 0.9976 0.9438 0.8742 0.0165 0.0078 0.2281 33 LYS A CG 196 C CD . LYS A 35 ? 1.0244 0.9726 0.9013 0.0591 -0.0152 0.2277 33 LYS A CD 197 C CE . LYS A 35 ? 0.9589 0.9718 0.9013 0.0806 -0.0116 0.2145 33 LYS A CE 198 N NZ . LYS A 35 ? 0.9826 1.0414 0.9451 0.1136 -0.0297 0.2099 33 LYS A NZ 199 N N . HIS A 36 ? 0.8894 0.9247 0.7972 -0.0612 0.0585 0.2174 34 HIS A N 200 C CA . HIS A 36 ? 0.8287 0.9145 0.7695 -0.0573 0.0668 0.2068 34 HIS A CA 201 C C . HIS A 36 ? 0.7518 0.8671 0.7418 -0.0354 0.0651 0.1974 34 HIS A C 202 O O . HIS A 36 ? 0.7255 0.8671 0.7335 -0.0316 0.0682 0.1890 34 HIS A O 203 C CB . HIS A 36 ? 0.8189 0.9396 0.7633 -0.0784 0.0879 0.1994 34 HIS A CB 204 C CG . HIS A 36 ? 0.9000 1.0072 0.7959 -0.1057 0.0929 0.2062 34 HIS A CG 205 N ND1 . HIS A 36 ? 0.9610 1.0563 0.8262 -0.1368 0.1008 0.2123 34 HIS A ND1 206 C CD2 . HIS A 36 ? 0.9583 1.0605 0.8252 -0.1112 0.0912 0.2079 34 HIS A CD2 207 C CE1 . HIS A 36 ? 1.0329 1.1182 0.8521 -0.1618 0.1052 0.2178 34 HIS A CE1 208 N NE2 . HIS A 36 ? 1.0187 1.1075 0.8388 -0.1445 0.0993 0.2152 34 HIS A NE2 209 N N . VAL A 37 ? 0.7259 0.8299 0.7288 -0.0235 0.0600 0.1989 35 VAL A N 210 C CA . VAL A 37 ? 0.6680 0.7999 0.7131 -0.0064 0.0593 0.1908 35 VAL A CA 211 C C . VAL A 37 ? 0.6582 0.8041 0.7109 0.0097 0.0439 0.1905 35 VAL A C 212 O O . VAL A 37 ? 0.6884 0.8164 0.7244 0.0262 0.0287 0.1964 35 VAL A O 213 C CB . VAL A 37 ? 0.6611 0.7798 0.7151 0.0012 0.0600 0.1909 35 VAL A CB 214 C CG1 . VAL A 37 ? 0.6233 0.7691 0.7117 0.0203 0.0559 0.1842 35 VAL A CG1 215 C CG2 . VAL A 37 ? 0.6210 0.7497 0.6829 -0.0154 0.0756 0.1871 35 VAL A CG2 216 N N . ASP A 38 ? 0.6197 0.7975 0.6930 0.0052 0.0468 0.1825 36 ASP A N 217 C CA . ASP A 38 ? 0.6219 0.8290 0.7048 0.0114 0.0332 0.1802 36 ASP A CA 218 C C . ASP A 38 ? 0.5869 0.8281 0.7045 0.0216 0.0326 0.1739 36 ASP A C 219 O O . ASP A 38 ? 0.5868 0.8530 0.7147 0.0408 0.0197 0.1738 36 ASP A O 220 C CB . ASP A 38 ? 0.6250 0.8423 0.7006 -0.0072 0.0364 0.1741 36 ASP A CB 221 C CG . ASP A 38 ? 0.6716 0.9168 0.7444 -0.0084 0.0196 0.1737 36 ASP A CG 222 O OD1 . ASP A 38 ? 0.7473 0.9831 0.7992 0.0014 0.0062 0.1813 36 ASP A OD1 223 O OD2 . ASP A 38 ? 0.7360 1.0117 0.8223 -0.0217 0.0188 0.1658 36 ASP A OD2 224 N N . ARG A 39 ? 0.5593 0.8031 0.6914 0.0105 0.0465 0.1679 37 ARG A N 225 C CA . ARG A 39 ? 0.5321 0.8031 0.6917 0.0144 0.0500 0.1621 37 ARG A CA 226 C C . ARG A 39 ? 0.5069 0.7543 0.6702 0.0152 0.0627 0.1615 37 ARG A C 227 O O . ARG A 39 ? 0.5150 0.7375 0.6650 0.0080 0.0709 0.1622 37 ARG A O 228 C CB . ARG A 39 ? 0.5305 0.8299 0.6962 -0.0070 0.0519 0.1547 37 ARG A CB 229 C CG . ARG A 39 ? 0.5667 0.9218 0.7459 -0.0083 0.0389 0.1516 37 ARG A CG 230 C CD . ARG A 39 ? 0.5941 0.9929 0.7895 -0.0303 0.0442 0.1431 37 ARG A CD 231 N NE . ARG A 39 ? 0.6435 0.9964 0.8159 -0.0540 0.0569 0.1413 37 ARG A NE 232 C CZ . ARG A 39 ? 0.6605 0.9816 0.7988 -0.0789 0.0571 0.1393 37 ARG A CZ 233 N NH1 . ARG A 39 ? 0.6852 1.0212 0.8128 -0.0890 0.0464 0.1389 37 ARG A NH1 234 N NH2 . ARG A 39 ? 0.6625 0.9310 0.7709 -0.0914 0.0664 0.1373 37 ARG A NH2 235 N N . VAL A 40 ? 0.4865 0.7493 0.6683 0.0259 0.0639 0.1586 38 VAL A N 236 C CA . VAL A 40 ? 0.4708 0.7181 0.6575 0.0250 0.0746 0.1567 38 VAL A CA 237 C C . VAL A 40 ? 0.4553 0.7321 0.6594 0.0200 0.0794 0.1499 38 VAL A C 238 O O . VAL A 40 ? 0.4479 0.7610 0.6682 0.0306 0.0753 0.1462 38 VAL A O 239 C CB . VAL A 40 ? 0.4822 0.7051 0.6621 0.0403 0.0726 0.1602 38 VAL A CB 240 C CG1 . VAL A 40 ? 0.4273 0.6398 0.6122 0.0365 0.0825 0.1574 38 VAL A CG1 241 C CG2 . VAL A 40 ? 0.5304 0.7201 0.6835 0.0367 0.0687 0.1681 38 VAL A CG2 242 N N . ASP A 41 ? 0.4586 0.7200 0.6546 0.0053 0.0879 0.1476 39 ASP A N 243 C CA . ASP A 41 ? 0.4537 0.7315 0.6537 -0.0072 0.0937 0.1425 39 ASP A CA 244 C C . ASP A 41 ? 0.4381 0.6897 0.6326 -0.0036 0.1011 0.1422 39 ASP A C 245 O O . ASP A 41 ? 0.4499 0.6689 0.6289 -0.0012 0.1026 0.1439 39 ASP A O 246 C CB . ASP A 41 ? 0.4815 0.7502 0.6587 -0.0331 0.0941 0.1404 39 ASP A CB 247 C CG . ASP A 41 ? 0.5490 0.8387 0.7259 -0.0397 0.0854 0.1407 39 ASP A CG 248 O OD1 . ASP A 41 ? 0.5894 0.9323 0.7903 -0.0356 0.0796 0.1387 39 ASP A OD1 249 O OD2 . ASP A 41 ? 0.6664 0.9218 0.8173 -0.0462 0.0836 0.1417 39 ASP A OD2 250 N N . TRP A 42 ? 0.4181 0.6912 0.6252 -0.0011 0.1052 0.1387 40 TRP A N 251 C CA . TRP A 42 ? 0.4097 0.6613 0.6086 -0.0008 0.1115 0.1378 40 TRP A CA 252 C C . TRP A 42 ? 0.4279 0.6868 0.6136 -0.0231 0.1179 0.1345 40 TRP A C 253 O O . TRP A 42 ? 0.4367 0.7423 0.6372 -0.0312 0.1213 0.1296 40 TRP A O 254 C CB . TRP A 42 ? 0.3984 0.6578 0.6115 0.0182 0.1120 0.1360 40 TRP A CB 255 C CG . TRP A 42 ? 0.3857 0.6170 0.5939 0.0295 0.1074 0.1404 40 TRP A CG 256 C CD1 . TRP A 42 ? 0.4015 0.6278 0.6093 0.0405 0.1006 0.1433 40 TRP A CD1 257 C CD2 . TRP A 42 ? 0.3956 0.6024 0.5938 0.0274 0.1088 0.1421 40 TRP A CD2 258 N NE1 . TRP A 42 ? 0.4110 0.6082 0.6057 0.0384 0.0994 0.1473 40 TRP A NE1 259 C CE2 . TRP A 42 ? 0.4222 0.6161 0.6159 0.0306 0.1046 0.1457 40 TRP A CE2 260 C CE3 . TRP A 42 ? 0.3821 0.5782 0.5707 0.0229 0.1119 0.1409 40 TRP A CE3 261 C CZ2 . TRP A 42 ? 0.4488 0.6338 0.6356 0.0249 0.1051 0.1467 40 TRP A CZ2 262 C CZ3 . TRP A 42 ? 0.3976 0.5858 0.5819 0.0254 0.1102 0.1415 40 TRP A CZ3 263 C CH2 . TRP A 42 ? 0.4571 0.6467 0.6438 0.0241 0.1077 0.1438 40 TRP A CH2 264 N N . LEU A 43 ? 0.4531 0.6664 0.6063 -0.0327 0.1191 0.1366 41 LEU A N 265 C CA . LEU A 43 ? 0.4923 0.6909 0.6144 -0.0594 0.1243 0.1355 41 LEU A CA 266 C C . LEU A 43 ? 0.5139 0.6849 0.6195 -0.0537 0.1275 0.1363 41 LEU A C 267 O O . LEU A 43 ? 0.5191 0.6669 0.6248 -0.0313 0.1232 0.1381 41 LEU A O 268 C CB . LEU A 43 ? 0.5368 0.6842 0.6125 -0.0767 0.1199 0.1376 41 LEU A CB 269 C CG . LEU A 43 ? 0.5806 0.7543 0.6599 -0.0968 0.1173 0.1358 41 LEU A CG 270 C CD1 . LEU A 43 ? 0.6491 0.7565 0.6774 -0.1035 0.1112 0.1370 41 LEU A CD1 271 C CD2 . LEU A 43 ? 0.6393 0.8586 0.7185 -0.1340 0.1237 0.1320 41 LEU A CD2 272 N N . PHE A 44 ? 0.5383 0.7189 0.6287 -0.0771 0.1353 0.1343 42 PHE A N 273 C CA . PHE A 44 ? 0.5637 0.7160 0.6302 -0.0770 0.1386 0.1352 42 PHE A CA 274 C C . PHE A 44 ? 0.6245 0.7211 0.6265 -0.1083 0.1395 0.1388 42 PHE A C 275 O O . PHE A 44 ? 0.6380 0.7438 0.6214 -0.1435 0.1439 0.1379 42 PHE A O 276 C CB . PHE A 44 ? 0.5484 0.7575 0.6463 -0.0755 0.1485 0.1288 42 PHE A CB 277 C CG . PHE A 44 ? 0.6059 0.7901 0.6745 -0.0822 0.1536 0.1290 42 PHE A CG 278 C CD1 . PHE A 44 ? 0.6289 0.7860 0.6967 -0.0575 0.1481 0.1305 42 PHE A CD1 279 C CD2 . PHE A 44 ? 0.6733 0.8648 0.7120 -0.1175 0.1640 0.1276 42 PHE A CD2 280 C CE1 . PHE A 44 ? 0.6778 0.8119 0.7158 -0.0634 0.1513 0.1307 42 PHE A CE1 281 C CE2 . PHE A 44 ? 0.7014 0.8663 0.7069 -0.1251 0.1688 0.1284 42 PHE A CE2 282 C CZ . PHE A 44 ? 0.6923 0.8268 0.6977 -0.0959 0.1617 0.1301 42 PHE A CZ 283 N N . SER A 45 ? 0.6755 0.7108 0.6372 -0.0961 0.1335 0.1430 43 SER A N 284 C CA . SER A 45 ? 0.7756 0.7363 0.6586 -0.1217 0.1317 0.1478 43 SER A CA 285 C C . SER A 45 ? 0.8154 0.7423 0.6710 -0.1088 0.1291 0.1506 43 SER A C 286 O O . SER A 45 ? 0.7744 0.7156 0.6610 -0.0731 0.1230 0.1494 43 SER A O 287 C CB . SER A 45 ? 0.8231 0.7094 0.6550 -0.1138 0.1194 0.1509 43 SER A CB 288 O OG . SER A 45 ? 0.9261 0.7390 0.6744 -0.1533 0.1190 0.1548 43 SER A OG 289 N N . LYS A 46 ? 0.9040 0.7881 0.6979 -0.1428 0.1336 0.1542 44 LYS A N 290 C CA . LYS A 46 ? 0.9536 0.8029 0.7125 -0.1359 0.1313 0.1575 44 LYS A CA 291 C C . LYS A 46 ? 1.0307 0.7877 0.7263 -0.1059 0.1117 0.1634 44 LYS A C 292 O O . LYS A 46 ? 1.0134 0.7682 0.7168 -0.0705 0.1020 0.1634 44 LYS A O 293 C CB . LYS A 46 ? 1.0148 0.8516 0.7234 -0.1871 0.1444 0.1595 44 LYS A CB 294 C CG . LYS A 46 ? 0.9706 0.9082 0.7420 -0.1988 0.1631 0.1507 44 LYS A CG 295 C CD . LYS A 46 ? 0.9518 0.8921 0.7329 -0.1714 0.1615 0.1495 44 LYS A CD 296 C CE . LYS A 46 ? 0.8739 0.9092 0.7180 -0.1704 0.1783 0.1380 44 LYS A CE 297 N NZ . LYS A 46 ? 0.8260 0.8582 0.6776 -0.1429 0.1752 0.1355 44 LYS A NZ 298 N N . ASP A 47 ? 1.1349 0.8158 0.7625 -0.1209 0.1053 0.1673 45 ASP A N 299 C CA . ASP A 47 ? 1.2350 0.8239 0.7973 -0.0833 0.0848 0.1703 45 ASP A CA 300 C C . ASP A 47 ? 1.2676 0.8367 0.8230 -0.0819 0.0815 0.1674 45 ASP A C 301 O O . ASP A 47 ? 1.2012 0.8467 0.8253 -0.0955 0.0922 0.1628 45 ASP A O 302 C CB . ASP A 47 ? 1.3676 0.8353 0.8085 -0.1024 0.0759 0.1790 45 ASP A CB 303 C CG . ASP A 47 ? 1.4105 0.8958 0.8409 -0.1430 0.0891 0.1829 45 ASP A CG 304 O OD1 . ASP A 47 ? 1.3939 0.9511 0.8882 -0.1239 0.0933 0.1796 45 ASP A OD1 305 O OD2 . ASP A 47 ? 1.4928 0.9167 0.8440 -0.1973 0.0954 0.1887 45 ASP A OD2 306 N N . LYS A 48 ? 1.3908 0.8514 0.8561 -0.0617 0.0651 0.1695 46 LYS A N 307 C CA . LYS A 48 ? 1.4587 0.8641 0.8783 -0.0762 0.0624 0.1676 46 LYS A CA 308 C C . LYS A 48 ? 1.5902 0.8959 0.9014 -0.1357 0.0640 0.1753 46 LYS A C 309 O O . LYS A 48 ? 1.6045 0.9132 0.9002 -0.1664 0.0712 0.1810 46 LYS A O 310 C CB . LYS A 48 ? 1.5165 0.8549 0.8913 -0.0147 0.0432 0.1629 46 LYS A CB 311 C CG . LYS A 48 ? 1.5204 0.8718 0.9143 -0.0104 0.0447 0.1556 46 LYS A CG 312 C CD . LYS A 48 ? 1.4084 0.9001 0.9325 0.0062 0.0554 0.1499 46 LYS A CD 313 C CE . LYS A 48 ? 1.4017 0.9038 0.9398 0.0148 0.0558 0.1428 46 LYS A CE 314 N NZ . LYS A 48 ? 1.4827 0.9023 0.9497 0.0672 0.0399 0.1360 46 LYS A NZ 315 N N . ASP A 49 ? 1.6976 0.9112 0.9267 -0.1552 0.0575 0.1752 47 ASP A N 316 C CA . ASP A 49 ? 1.8339 0.9417 0.9454 -0.2231 0.0587 0.1826 47 ASP A CA 317 C C . ASP A 49 ? 1.7694 0.9815 0.9383 -0.2964 0.0820 0.1830 47 ASP A C 318 O O . ASP A 49 ? 1.8731 1.0311 0.9607 -0.3670 0.0881 0.1882 47 ASP A O 319 C CB . ASP A 49 ? 1.9461 0.9414 0.9553 -0.2112 0.0460 0.1916 47 ASP A CB 320 C CG . ASP A 49 ? 2.1393 0.9830 0.9921 -0.2764 0.0419 0.2004 47 ASP A CG 321 O OD1 . ASP A 49 ? 2.2233 0.9945 1.0119 -0.3011 0.0375 0.1980 47 ASP A OD1 322 O OD2 . ASP A 49 ? 2.2299 1.0212 1.0164 -0.3063 0.0429 0.2098 47 ASP A OD2 323 N N . ASP A 50 ? 1.6063 0.9687 0.9111 -0.2782 0.0943 0.1767 48 ASP A N 324 C CA . ASP A 50 ? 1.5189 1.0017 0.8939 -0.3277 0.1155 0.1741 48 ASP A CA 325 C C . ASP A 50 ? 1.3727 0.9850 0.8647 -0.3154 0.1231 0.1653 48 ASP A C 326 O O . ASP A 50 ? 1.3086 0.9450 0.8563 -0.2595 0.1155 0.1620 48 ASP A O 327 C CB . ASP A 50 ? 1.4814 1.0078 0.8903 -0.3121 0.1223 0.1759 48 ASP A CB 328 C CG . ASP A 50 ? 1.3749 1.0549 0.8957 -0.3244 0.1418 0.1680 48 ASP A CG 329 O OD1 . ASP A 50 ? 1.3879 1.1167 0.9028 -0.3846 0.1574 0.1658 48 ASP A OD1 330 O OD2 . ASP A 50 ? 1.2728 1.0244 0.8824 -0.2734 0.1411 0.1632 48 ASP A OD2 331 N N . ALA A 51 ? 1.3195 1.0184 0.8443 -0.3696 0.1381 0.1612 49 ALA A N 332 C CA . ALA A 51 ? 1.2028 1.0200 0.8237 -0.3651 0.1434 0.1529 49 ALA A CA 333 C C . ALA A 51 ? 1.0680 0.9719 0.7935 -0.3039 0.1447 0.1488 49 ALA A C 334 O O . ALA A 51 ? 1.0471 0.9585 0.7894 -0.2790 0.1476 0.1499 49 ALA A O 335 C CB . ALA A 51 ? 1.2001 1.1118 0.8389 -0.4312 0.1589 0.1473 49 ALA A CB 336 N N . SER A 52 ? 0.9812 0.9433 0.7683 -0.2833 0.1414 0.1441 50 SER A N 337 C CA . SER A 52 ? 0.8669 0.9087 0.7453 -0.2342 0.1423 0.1403 50 SER A CA 338 C C . SER A 52 ? 0.7928 0.9541 0.7388 -0.2485 0.1513 0.1325 50 SER A C 339 O O . SER A 52 ? 0.8100 1.0052 0.7447 -0.2925 0.1543 0.1293 50 SER A O 340 C CB . SER A 52 ? 0.8493 0.8624 0.7415 -0.1931 0.1303 0.1414 50 SER A CB 341 O OG . SER A 52 ? 0.9575 0.8634 0.7772 -0.1812 0.1205 0.1457 50 SER A OG 342 N N . GLU A 53 ? 0.7183 0.9423 0.7299 -0.2097 0.1543 0.1286 51 GLU A N 343 C CA . GLU A 53 ? 0.6713 1.0071 0.7481 -0.2047 0.1596 0.1196 51 GLU A CA 344 C C . GLU A 53 ? 0.5883 0.9427 0.7170 -0.1515 0.1514 0.1191 51 GLU A C 345 O O . GLU A 53 ? 0.5848 0.8910 0.7118 -0.1208 0.1477 0.1233 51 GLU A O 346 C CB . GLU A 53 ? 0.6846 1.0811 0.7751 -0.2156 0.1742 0.1124 51 GLU A CB 347 C CG . GLU A 53 ? 0.7236 1.0937 0.8232 -0.1773 0.1760 0.1131 51 GLU A CG 348 C CD . GLU A 53 ? 0.8156 1.2335 0.9146 -0.1926 0.1918 0.1055 51 GLU A CD 349 O OE1 . GLU A 53 ? 0.8843 1.2867 0.9354 -0.2412 0.2003 0.1075 51 GLU A OE1 350 O OE2 . GLU A 53 ? 0.8594 1.3242 0.9983 -0.1570 0.1958 0.0973 51 GLU A OE2 351 N N . TYR A 54 ? 0.5356 0.9598 0.7049 -0.1436 0.1475 0.1139 52 TYR A N 352 C CA . TYR A 54 ? 0.4724 0.9083 0.6801 -0.0966 0.1385 0.1142 52 TYR A CA 353 C C . TYR A 54 ? 0.4375 0.9011 0.6720 -0.0628 0.1429 0.1085 52 TYR A C 354 O O . TYR A 54 ? 0.4455 0.9809 0.7009 -0.0630 0.1506 0.0985 52 TYR A O 355 C CB . TYR A 54 ? 0.4506 0.9488 0.6859 -0.0945 0.1302 0.1105 52 TYR A CB 356 C CG . TYR A 54 ? 0.4516 0.9072 0.6593 -0.1162 0.1223 0.1165 52 TYR A CG 357 C CD1 . TYR A 54 ? 0.4849 0.9380 0.6587 -0.1660 0.1251 0.1154 52 TYR A CD1 358 C CD2 . TYR A 54 ? 0.4168 0.8304 0.6246 -0.0901 0.1124 0.1225 52 TYR A CD2 359 C CE1 . TYR A 54 ? 0.5177 0.9212 0.6567 -0.1847 0.1172 0.1194 52 TYR A CE1 360 C CE2 . TYR A 54 ? 0.4228 0.7976 0.6020 -0.1074 0.1061 0.1261 52 TYR A CE2 361 C CZ . TYR A 54 ? 0.5034 0.8701 0.6473 -0.1524 0.1080 0.1240 52 TYR A CZ 362 O OH . TYR A 54 ? 0.6077 0.9258 0.7136 -0.1689 0.1013 0.1261 52 TYR A OH 363 N N . VAL A 55 ? 0.4162 0.8236 0.6464 -0.0349 0.1382 0.1137 53 VAL A N 364 C CA . VAL A 55 ? 0.4014 0.8171 0.6474 -0.0007 0.1390 0.1087 53 VAL A CA 365 C C . VAL A 55 ? 0.3897 0.8428 0.6601 0.0288 0.1294 0.1051 53 VAL A C 366 O O . VAL A 55 ? 0.3862 0.8877 0.6737 0.0546 0.1303 0.0951 53 VAL A O 367 C CB . VAL A 55 ? 0.3938 0.7382 0.6225 0.0131 0.1351 0.1155 53 VAL A CB 368 C CG1 . VAL A 55 ? 0.3868 0.7292 0.6201 0.0426 0.1350 0.1096 53 VAL A CG1 369 C CG2 . VAL A 55 ? 0.3819 0.6864 0.5826 -0.0091 0.1401 0.1196 53 VAL A CG2 370 N N . LEU A 56 ? 0.3838 0.8118 0.6503 0.0275 0.1195 0.1129 54 LEU A N 371 C CA . LEU A 56 ? 0.3879 0.8287 0.6649 0.0562 0.1070 0.1130 54 LEU A CA 372 C C . LEU A 56 ? 0.3903 0.8108 0.6595 0.0420 0.0989 0.1214 54 LEU A C 373 O O . LEU A 56 ? 0.3967 0.7659 0.6472 0.0258 0.1009 0.1284 54 LEU A O 374 C CB . LEU A 56 ? 0.4043 0.7902 0.6659 0.0864 0.1023 0.1152 54 LEU A CB 375 C CG . LEU A 56 ? 0.4183 0.7841 0.6695 0.1185 0.0876 0.1175 54 LEU A CG 376 C CD1 . LEU A 56 ? 0.4097 0.7208 0.6349 0.1428 0.0860 0.1158 54 LEU A CD1 377 C CD2 . LEU A 56 ? 0.4090 0.7360 0.6464 0.1037 0.0806 0.1292 54 LEU A CD2 378 N N . PHE A 57 ? 0.3935 0.8591 0.6758 0.0510 0.0890 0.1192 55 PHE A N 379 C CA . PHE A 57 ? 0.4002 0.8438 0.6710 0.0419 0.0797 0.1267 55 PHE A CA 380 C C . PHE A 57 ? 0.4185 0.8687 0.6895 0.0753 0.0641 0.1283 55 PHE A C 381 O O . PHE A 57 ? 0.4237 0.9211 0.7094 0.1047 0.0578 0.1208 55 PHE A O 382 C CB . PHE A 57 ? 0.3995 0.8772 0.6705 0.0044 0.0815 0.1245 55 PHE A CB 383 C CG . PHE A 57 ? 0.3955 0.9678 0.6933 0.0014 0.0783 0.1146 55 PHE A CG 384 C CD1 . PHE A 57 ? 0.3928 1.0198 0.7067 -0.0087 0.0896 0.1053 55 PHE A CD1 385 C CD2 . PHE A 57 ? 0.3974 1.0125 0.7041 0.0070 0.0641 0.1138 55 PHE A CD2 386 C CE1 . PHE A 57 ? 0.4071 1.1403 0.7499 -0.0129 0.0880 0.0940 55 PHE A CE1 387 C CE2 . PHE A 57 ? 0.4006 1.1203 0.7363 0.0049 0.0599 0.1028 55 PHE A CE2 388 C CZ . PHE A 57 ? 0.4088 1.1931 0.7648 -0.0055 0.0726 0.0922 55 PHE A CZ 389 N N . TYR A 58 ? 0.4451 0.8439 0.6938 0.0727 0.0576 0.1379 56 TYR A N 390 C CA . TYR A 58 ? 0.4868 0.8645 0.7183 0.1010 0.0419 0.1430 56 TYR A CA 391 C C . TYR A 58 ? 0.4950 0.8756 0.7170 0.0865 0.0332 0.1483 56 TYR A C 392 O O . TYR A 58 ? 0.4926 0.8497 0.7053 0.0576 0.0408 0.1516 56 TYR A O 393 C CB . TYR A 58 ? 0.5095 0.8076 0.7094 0.1084 0.0433 0.1508 56 TYR A CB 394 C CG . TYR A 58 ? 0.5851 0.8364 0.7487 0.1221 0.0287 0.1600 56 TYR A CG 395 C CD1 . TYR A 58 ? 0.6811 0.9103 0.8206 0.1605 0.0137 0.1598 56 TYR A CD1 396 C CD2 . TYR A 58 ? 0.6343 0.8583 0.7798 0.0984 0.0295 0.1683 56 TYR A CD2 397 C CE1 . TYR A 58 ? 0.7512 0.9230 0.8436 0.1715 -0.0015 0.1698 56 TYR A CE1 398 C CE2 . TYR A 58 ? 0.6936 0.8719 0.7987 0.1059 0.0169 0.1777 56 TYR A CE2 399 C CZ . TYR A 58 ? 0.7569 0.9044 0.8327 0.1407 0.0009 0.1795 56 TYR A CZ 400 O OH . TYR A 58 ? 0.8636 0.9515 0.8861 0.1463 -0.0133 0.1904 56 TYR A OH 401 N N . TYR A 59 ? 0.5220 0.9306 0.7424 0.1109 0.0161 0.1479 57 TYR A N 402 C CA . TYR A 59 ? 0.5442 0.9486 0.7478 0.1020 0.0043 0.1539 57 TYR A CA 403 C C . TYR A 59 ? 0.6001 1.0071 0.7865 0.1425 -0.0183 0.1564 57 TYR A C 404 O O . TYR A 59 ? 0.6018 1.0555 0.8046 0.1776 -0.0270 0.1482 57 TYR A O 405 C CB . TYR A 59 ? 0.5206 0.9889 0.7460 0.0698 0.0063 0.1471 57 TYR A CB 406 C CG . TYR A 59 ? 0.5025 1.0688 0.7618 0.0830 -0.0025 0.1360 57 TYR A CG 407 C CD1 . TYR A 59 ? 0.4739 1.0865 0.7616 0.0879 0.0081 0.1264 57 TYR A CD1 408 C CD2 . TYR A 59 ? 0.4914 1.1126 0.7547 0.0908 -0.0214 0.1340 57 TYR A CD2 409 C CE1 . TYR A 59 ? 0.4757 1.1946 0.7976 0.0999 0.0020 0.1138 57 TYR A CE1 410 C CE2 . TYR A 59 ? 0.4932 1.2228 0.7923 0.1043 -0.0299 0.1217 57 TYR A CE2 411 C CZ . TYR A 59 ? 0.4854 1.2677 0.8152 0.1088 -0.0173 0.1110 57 TYR A CZ 412 O OH . TYR A 59 ? 0.5279 1.4353 0.8968 0.1220 -0.0238 0.0962 57 TYR A OH 413 N N . SER A 60 ? 0.6590 1.0137 0.8073 0.1399 -0.0279 0.1672 58 SER A N 414 C CA . SER A 60 ? 0.7369 1.0803 0.8551 0.1764 -0.0527 0.1719 58 SER A CA 415 C C . SER A 60 ? 0.8029 1.1175 0.9031 0.2245 -0.0620 0.1699 58 SER A C 416 O O . SER A 60 ? 0.8295 1.1953 0.9394 0.2678 -0.0794 0.1619 58 SER A O 417 C CB . SER A 60 ? 0.7284 1.1663 0.8759 0.1815 -0.0674 0.1640 58 SER A CB 418 O OG . SER A 60 ? 0.7937 1.2172 0.9068 0.2201 -0.0943 0.1694 58 SER A OG 419 N N . ASN A 61 ? 0.8431 1.0774 0.9142 0.2171 -0.0508 0.1756 59 ASN A N 420 C CA . ASN A 61 ? 0.9192 1.0974 0.9552 0.2571 -0.0586 0.1745 59 ASN A CA 421 C C . ASN A 61 ? 0.9041 1.1599 0.9803 0.2972 -0.0613 0.1579 59 ASN A C 422 O O . ASN A 61 ? 0.9680 1.2120 1.0170 0.3523 -0.0805 0.1533 59 ASN A O 423 C CB . ASN A 61 ? 1.0216 1.1137 0.9819 0.2868 -0.0831 0.1857 59 ASN A CB 424 C CG . ASN A 61 ? 1.1369 1.1134 1.0306 0.2937 -0.0833 0.1918 59 ASN A CG 425 O OD1 . ASN A 61 ? 1.1213 1.0678 1.0168 0.2533 -0.0630 0.1945 59 ASN A OD1 426 N ND2 . ASN A 61 ? 1.3170 1.2262 1.1464 0.3449 -0.1073 0.1933 59 ASN A ND2 427 N N . LEU A 62 ? 0.8331 1.1675 0.9689 0.2698 -0.0420 0.1484 60 LEU A N 428 C CA . LEU A 62 ? 0.8195 1.2292 0.9943 0.2956 -0.0367 0.1318 60 LEU A CA 429 C C . LEU A 62 ? 0.7541 1.1989 0.9694 0.2506 -0.0106 0.1271 60 LEU A C 430 O O . LEU A 62 ? 0.7037 1.1911 0.9458 0.2085 -0.0020 0.1281 60 LEU A O 431 C CB . LEU A 62 ? 0.8233 1.3455 1.0322 0.3262 -0.0524 0.1202 60 LEU A CB 432 C CG . LEU A 62 ? 0.8010 1.3911 1.0384 0.2880 -0.0551 0.1224 60 LEU A CG 433 C CD1 . LEU A 62 ? 0.7434 1.4112 1.0309 0.2380 -0.0328 0.1139 60 LEU A CD1 434 C CD2 . LEU A 62 ? 0.8237 1.4937 1.0699 0.3308 -0.0813 0.1152 60 LEU A CD2 435 N N . SER A 63 ? 0.7631 1.1787 0.9727 0.2606 0.0003 0.1222 61 SER A N 436 C CA . SER A 63 ? 0.7224 1.1560 0.9591 0.2224 0.0230 0.1188 61 SER A CA 437 C C . SER A 63 ? 0.6973 1.2281 0.9742 0.2340 0.0313 0.1021 61 SER A C 438 O O . SER A 63 ? 0.7148 1.2805 0.9930 0.2827 0.0225 0.0908 61 SER A O 439 C CB . SER A 63 ? 0.7462 1.0865 0.9490 0.2168 0.0310 0.1246 61 SER A CB 440 O OG . SER A 63 ? 0.8283 1.1356 1.0031 0.2620 0.0235 0.1178 61 SER A OG 441 N N . VAL A 64 ? 0.6614 1.2333 0.9653 0.1887 0.0483 0.1002 62 VAL A N 442 C CA . VAL A 64 ? 0.6493 1.3161 0.9879 0.1830 0.0604 0.0854 62 VAL A CA 443 C C . VAL A 64 ? 0.6450 1.2743 0.9766 0.1594 0.0795 0.0855 62 VAL A C 444 O O . VAL A 64 ? 0.6286 1.2327 0.9554 0.1137 0.0894 0.0928 62 VAL A O 445 C CB . VAL A 64 ? 0.6229 1.3725 0.9885 0.1399 0.0630 0.0831 62 VAL A CB 446 C CG1 . VAL A 64 ? 0.6141 1.4728 1.0125 0.1286 0.0762 0.0670 62 VAL A CG1 447 C CG2 . VAL A 64 ? 0.6322 1.4156 1.0022 0.1584 0.0422 0.0844 62 VAL A CG2 448 N N . PRO A 65 ? 0.6729 1.2896 0.9963 0.1936 0.0830 0.0771 63 PRO A N 449 C CA . PRO A 65 ? 0.6625 1.2628 0.9823 0.1701 0.1011 0.0748 63 PRO A CA 450 C C . PRO A 65 ? 0.6443 1.3508 0.9957 0.1462 0.1148 0.0628 63 PRO A C 451 O O . PRO A 65 ? 0.6528 1.4549 1.0310 0.1705 0.1114 0.0494 63 PRO A O 452 C CB . PRO A 65 ? 0.7001 1.2564 0.9961 0.2165 0.0988 0.0675 63 PRO A CB 453 C CG . PRO A 65 ? 0.7460 1.2786 1.0241 0.2643 0.0779 0.0678 63 PRO A CG 454 C CD . PRO A 65 ? 0.7204 1.3284 1.0286 0.2559 0.0697 0.0689 63 PRO A CD 455 N N . THR A 66 ? 0.6290 1.3208 0.9733 0.0979 0.1293 0.0674 64 THR A N 456 C CA . THR A 66 ? 0.6261 1.4080 0.9880 0.0599 0.1435 0.0584 64 THR A CA 457 C C . THR A 66 ? 0.6304 1.3855 0.9715 0.0282 0.1610 0.0587 64 THR A C 458 O O . THR A 66 ? 0.6318 1.2979 0.9469 0.0335 0.1614 0.0667 64 THR A O 459 C CB . THR A 66 ? 0.6218 1.4245 0.9850 0.0139 0.1394 0.0652 64 THR A CB 460 O OG1 . THR A 66 ? 0.6046 1.3002 0.9367 -0.0016 0.1335 0.0814 64 THR A OG1 461 C CG2 . THR A 66 ? 0.6341 1.5107 1.0262 0.0403 0.1243 0.0592 64 THR A CG2 462 N N . GLY A 67 ? 0.6399 1.4798 0.9910 -0.0075 0.1750 0.0495 65 GLY A N 463 C CA . GLY A 67 ? 0.6575 1.4835 0.9831 -0.0436 0.1928 0.0489 65 GLY A CA 464 C C . GLY A 67 ? 0.6599 1.4848 0.9862 -0.0042 0.2005 0.0388 65 GLY A C 465 O O . GLY A 67 ? 0.6577 1.5452 1.0109 0.0440 0.1988 0.0241 65 GLY A O 466 N N . ARG A 68 ? 0.6708 1.4192 0.9612 -0.0227 0.2076 0.0462 66 ARG A N 467 C CA . ARG A 68 ? 0.6907 1.4201 0.9711 0.0084 0.2146 0.0378 66 ARG A CA 468 C C . ARG A 68 ? 0.6885 1.3442 0.9654 0.0586 0.1984 0.0415 66 ARG A C 469 O O . ARG A 68 ? 0.7002 1.3435 0.9699 0.0973 0.1994 0.0314 66 ARG A O 470 C CB . ARG A 68 ? 0.7119 1.3778 0.9495 -0.0295 0.2242 0.0460 66 ARG A CB 471 C CG . ARG A 68 ? 0.7240 1.2818 0.9322 -0.0438 0.2110 0.0654 66 ARG A CG 472 C CD . ARG A 68 ? 0.7521 1.2854 0.9230 -0.1005 0.2163 0.0751 66 ARG A CD 473 N NE . ARG A 68 ? 0.7644 1.1922 0.8943 -0.1051 0.2068 0.0894 66 ARG A NE 474 C CZ . ARG A 68 ? 0.7904 1.1738 0.8954 -0.0969 0.2085 0.0903 66 ARG A CZ 475 N NH1 . ARG A 68 ? 0.8088 1.2350 0.9220 -0.0850 0.2205 0.0780 66 ARG A NH1 476 N NH2 . ARG A 68 ? 0.8149 1.1148 0.8855 -0.0977 0.1973 0.1023 66 ARG A NH2 477 N N . PHE A 69 ? 0.6805 1.2833 0.9554 0.0534 0.1840 0.0557 67 PHE A N 478 C CA . PHE A 69 ? 0.6867 1.2148 0.9515 0.0878 0.1685 0.0622 67 PHE A CA 479 C C . PHE A 69 ? 0.7021 1.2673 0.9853 0.1327 0.1578 0.0539 67 PHE A C 480 O O . PHE A 69 ? 0.7252 1.2281 0.9929 0.1591 0.1437 0.0595 67 PHE A O 481 C CB . PHE A 69 ? 0.6719 1.1367 0.9257 0.0640 0.1588 0.0794 67 PHE A CB 482 C CG . PHE A 69 ? 0.6788 1.1051 0.9090 0.0259 0.1652 0.0877 67 PHE A CG 483 C CD1 . PHE A 69 ? 0.6829 1.0490 0.8891 0.0288 0.1647 0.0912 67 PHE A CD1 484 C CD2 . PHE A 69 ? 0.6722 1.1173 0.8965 -0.0126 0.1698 0.0918 67 PHE A CD2 485 C CE1 . PHE A 69 ? 0.6832 1.0125 0.8629 0.0009 0.1673 0.0986 67 PHE A CE1 486 C CE2 . PHE A 69 ? 0.6884 1.0822 0.8771 -0.0424 0.1728 0.0996 67 PHE A CE2 487 C CZ . PHE A 69 ? 0.7066 1.0442 0.8743 -0.0320 0.1709 0.1031 67 PHE A CZ 488 N N . GLN A 70 ? 0.7039 1.3730 1.0161 0.1404 0.1639 0.0402 68 GLN A N 489 C CA . GLN A 70 ? 0.7165 1.4368 1.0480 0.1875 0.1511 0.0311 68 GLN A CA 490 C C . GLN A 70 ? 0.7648 1.4193 1.0667 0.2458 0.1408 0.0253 68 GLN A C 491 O O . GLN A 70 ? 0.7934 1.3923 1.0773 0.2747 0.1226 0.0317 68 GLN A O 492 C CB . GLN A 70 ? 0.7115 1.5731 1.0805 0.1919 0.1614 0.0120 68 GLN A CB 493 C CG . GLN A 70 ? 0.7034 1.6426 1.1026 0.2121 0.1469 0.0080 68 GLN A CG 494 C CD . GLN A 70 ? 0.7057 1.8054 1.1474 0.2028 0.1585 -0.0110 68 GLN A CD 495 O OE1 . GLN A 70 ? 0.6786 1.8326 1.1252 0.1964 0.1776 -0.0245 68 GLN A OE1 496 N NE2 . GLN A 70 ? 0.7059 1.8882 1.1773 0.1986 0.1475 -0.0129 68 GLN A NE2 497 N N . ASN A 71 ? 0.7871 1.4450 1.0765 0.2598 0.1531 0.0125 69 ASN A N 498 C CA . ASN A 71 ? 0.8475 1.4407 1.0976 0.3149 0.1458 0.0027 69 ASN A CA 499 C C . ASN A 71 ? 0.8469 1.3031 1.0487 0.3018 0.1382 0.0172 69 ASN A C 500 O O . ASN A 71 ? 0.9033 1.2805 1.0590 0.3403 0.1271 0.0131 69 ASN A O 501 C CB . ASN A 71 ? 0.8801 1.5311 1.1318 0.3306 0.1640 -0.0182 69 ASN A CB 502 C CG . ASN A 71 ? 1.0169 1.6108 1.2237 0.3964 0.1563 -0.0335 69 ASN A CG 503 O OD1 . ASN A 71 ? 1.1045 1.6999 1.2934 0.4067 0.1696 -0.0477 69 ASN A OD1 504 N ND2 . ASN A 71 ? 1.1331 1.6682 1.3123 0.4414 0.1341 -0.0313 69 ASN A ND2 505 N N . ARG A 72 ? 0.7845 1.2134 0.9919 0.2472 0.1432 0.0333 70 ARG A N 506 C CA . ARG A 72 ? 0.7850 1.1113 0.9544 0.2276 0.1396 0.0442 70 ARG A CA 507 C C . ARG A 72 ? 0.7568 1.0297 0.9214 0.2025 0.1279 0.0631 70 ARG A C 508 O O . ARG A 72 ? 0.7702 0.9667 0.9032 0.1889 0.1226 0.0710 70 ARG A O 509 C CB . ARG A 72 ? 0.7639 1.1006 0.9352 0.1912 0.1552 0.0442 70 ARG A CB 510 C CG . ARG A 72 ? 0.7925 1.1763 0.9611 0.2105 0.1695 0.0252 70 ARG A CG 511 C CD . ARG A 72 ? 0.7716 1.1631 0.9366 0.1691 0.1842 0.0277 70 ARG A CD 512 N NE . ARG A 72 ? 0.7593 1.1906 0.9491 0.1263 0.1887 0.0392 70 ARG A NE 513 C CZ . ARG A 72 ? 0.7685 1.1750 0.9442 0.0862 0.1938 0.0492 70 ARG A CZ 514 N NH1 . ARG A 72 ? 0.8032 1.1574 0.9478 0.0823 0.1949 0.0493 70 ARG A NH1 515 N NH2 . ARG A 72 ? 0.7541 1.1824 0.9397 0.0509 0.1958 0.0587 70 ARG A NH2 516 N N . SER A 73 ? 0.7118 1.0311 0.9066 0.1940 0.1245 0.0691 71 SER A N 517 C CA . SER A 73 ? 0.6837 0.9630 0.8756 0.1706 0.1155 0.0853 71 SER A CA 518 C C . SER A 73 ? 0.7223 0.9702 0.8959 0.1997 0.0992 0.0884 71 SER A C 519 O O . SER A 73 ? 0.7316 1.0228 0.9146 0.2345 0.0934 0.0798 71 SER A O 520 C CB . SER A 73 ? 0.6300 0.9628 0.8546 0.1370 0.1215 0.0912 71 SER A CB 521 O OG . SER A 73 ? 0.6060 1.0200 0.8587 0.1477 0.1229 0.0827 71 SER A OG 522 N N . HIS A 74 ? 0.7398 0.9146 0.8837 0.1847 0.0913 0.1004 72 HIS A N 523 C CA . HIS A 74 ? 0.7861 0.9073 0.8949 0.2052 0.0752 0.1060 72 HIS A CA 524 C C . HIS A 74 ? 0.7704 0.8568 0.8702 0.1707 0.0716 0.1214 72 HIS A C 525 O O . HIS A 74 ? 0.7678 0.8267 0.8593 0.1393 0.0772 0.1266 72 HIS A O 526 C CB . HIS A 74 ? 0.8677 0.9059 0.9171 0.2305 0.0679 0.1007 72 HIS A CB 527 C CG . HIS A 74 ? 0.9008 0.9691 0.9533 0.2668 0.0734 0.0830 72 HIS A CG 528 N ND1 . HIS A 74 ? 0.9712 1.0615 1.0164 0.3216 0.0645 0.0711 72 HIS A ND1 529 C CD2 . HIS A 74 ? 0.9080 0.9934 0.9687 0.2585 0.0871 0.0739 72 HIS A CD2 530 C CE1 . HIS A 74 ? 1.0092 1.1342 1.0604 0.3457 0.0742 0.0542 72 HIS A CE1 531 N NE2 . HIS A 74 ? 0.9772 1.0965 1.0363 0.3057 0.0884 0.0562 72 HIS A NE2 532 N N . LEU A 75 ? 0.7663 0.8616 0.8675 0.1786 0.0619 0.1273 73 LEU A N 533 C CA . LEU A 75 ? 0.7505 0.8164 0.8390 0.1496 0.0587 0.1406 73 LEU A CA 534 C C . LEU A 75 ? 0.8274 0.7985 0.8498 0.1491 0.0487 0.1468 73 LEU A C 535 O O . LEU A 75 ? 0.8995 0.8250 0.8805 0.1788 0.0340 0.1479 73 LEU A O 536 C CB . LEU A 75 ? 0.7271 0.8337 0.8345 0.1574 0.0512 0.1440 73 LEU A CB 537 C CG . LEU A 75 ? 0.6941 0.7996 0.8050 0.1241 0.0534 0.1545 73 LEU A CG 538 C CD1 . LEU A 75 ? 0.6775 0.8031 0.8128 0.0929 0.0683 0.1540 73 LEU A CD1 539 C CD2 . LEU A 75 ? 0.6442 0.8015 0.7792 0.1304 0.0475 0.1547 73 LEU A CD2 540 N N . VAL A 76 ? 0.8275 0.7678 0.8346 0.1142 0.0556 0.1505 74 VAL A N 541 C CA . VAL A 76 ? 0.9094 0.7570 0.8463 0.1022 0.0481 0.1549 74 VAL A CA 542 C C . VAL A 76 ? 0.9390 0.7535 0.8441 0.0706 0.0440 0.1679 74 VAL A C 543 O O . VAL A 76 ? 1.0287 0.7566 0.8619 0.0685 0.0323 0.1743 74 VAL A O 544 C CB . VAL A 76 ? 0.9062 0.7438 0.8385 0.0753 0.0569 0.1506 74 VAL A CB 545 C CG1 . VAL A 76 ? 1.0075 0.7601 0.8682 0.0416 0.0508 0.1573 74 VAL A CG1 546 C CG2 . VAL A 76 ? 0.9160 0.7533 0.8503 0.1075 0.0584 0.1377 74 VAL A CG2 547 N N . GLY A 77 ? 0.8747 0.7542 0.8267 0.0462 0.0537 0.1713 75 GLY A N 548 C CA . GLY A 77 ? 0.8949 0.7612 0.8241 0.0143 0.0535 0.1817 75 GLY A CA 549 C C . GLY A 77 ? 0.9359 0.7716 0.8367 0.0354 0.0405 0.1886 75 GLY A C 550 O O . GLY A 77 ? 0.9127 0.7830 0.8436 0.0717 0.0351 0.1844 75 GLY A O 551 N N . ASP A 78 ? 1.0025 0.7758 0.8415 0.0095 0.0349 0.1993 76 ASP A N 552 C CA . ASP A 78 ? 1.0539 0.7939 0.8577 0.0240 0.0215 0.2081 76 ASP A CA 553 C C . ASP A 78 ? 0.9728 0.7959 0.8343 0.0167 0.0298 0.2084 76 ASP A C 554 O O . ASP A 78 ? 0.9394 0.7930 0.8118 -0.0211 0.0427 0.2106 76 ASP A O 555 C CB . ASP A 78 ? 1.1673 0.8110 0.8786 -0.0107 0.0147 0.2208 76 ASP A CB 556 C CG . ASP A 78 ? 1.3054 0.8488 0.9426 -0.0129 0.0064 0.2205 76 ASP A CG 557 O OD1 . ASP A 78 ? 1.3318 0.8922 0.9985 0.0104 0.0090 0.2093 76 ASP A OD1 558 O OD2 . ASP A 78 ? 1.4085 0.8507 0.9512 -0.0408 -0.0024 0.2313 76 ASP A OD2 559 N N . THR A 79 ? 0.9405 0.8031 0.8360 0.0535 0.0223 0.2046 77 THR A N 560 C CA . THR A 79 ? 0.8729 0.8090 0.8192 0.0481 0.0287 0.2028 77 THR A CA 561 C C . THR A 79 ? 0.9108 0.8186 0.8161 0.0321 0.0227 0.2135 77 THR A C 562 O O . THR A 79 ? 0.8734 0.8272 0.8043 0.0177 0.0301 0.2130 77 THR A O 563 C CB . THR A 79 ? 0.8393 0.8306 0.8296 0.0844 0.0216 0.1948 77 THR A CB 564 O OG1 . THR A 79 ? 0.9053 0.8585 0.8576 0.1212 0.0011 0.1974 77 THR A OG1 565 C CG2 . THR A 79 ? 0.7814 0.8124 0.8154 0.0931 0.0315 0.1837 77 THR A CG2 566 N N . PHE A 80 ? 0.9964 0.8193 0.8287 0.0353 0.0087 0.2231 78 PHE A N 567 C CA . PHE A 80 ? 1.0606 0.8392 0.8361 0.0165 0.0016 0.2354 78 PHE A CA 568 C C . PHE A 80 ? 1.0591 0.8275 0.8109 -0.0389 0.0186 0.2400 78 PHE A C 569 O O . PHE A 80 ? 1.1203 0.8572 0.8223 -0.0671 0.0183 0.2498 78 PHE A O 570 C CB . PHE A 80 ? 1.1783 0.8580 0.8712 0.0449 -0.0235 0.2447 78 PHE A CB 571 C CG . PHE A 80 ? 1.2276 0.9371 0.9401 0.0972 -0.0427 0.2416 78 PHE A CG 572 C CD1 . PHE A 80 ? 1.1792 0.9870 0.9770 0.1209 -0.0375 0.2280 78 PHE A CD1 573 C CD2 . PHE A 80 ? 1.3723 1.0150 1.0146 0.1202 -0.0669 0.2519 78 PHE A CD2 574 C CE1 . PHE A 80 ? 1.1838 1.0366 1.0036 0.1629 -0.0547 0.2235 78 PHE A CE1 575 C CE2 . PHE A 80 ? 1.3965 1.0827 1.0616 0.1699 -0.0863 0.2475 78 PHE A CE2 576 C CZ . PHE A 80 ? 1.2969 1.0954 1.0544 0.1895 -0.0796 0.2325 78 PHE A CZ 577 N N . HIS A 81 ? 0.9939 0.7969 0.7818 -0.0549 0.0335 0.2319 79 HIS A N 578 C CA . HIS A 81 ? 0.9758 0.8007 0.7582 -0.1058 0.0512 0.2320 79 HIS A CA 579 C C . HIS A 81 ? 0.8637 0.7895 0.7283 -0.1050 0.0683 0.2192 79 HIS A C 580 O O . HIS A 81 ? 0.8397 0.8033 0.7178 -0.1344 0.0820 0.2143 79 HIS A O 581 C CB . HIS A 81 ? 1.0426 0.8003 0.7696 -0.1324 0.0495 0.2352 79 HIS A CB 582 C CG . HIS A 81 ? 1.1683 0.8060 0.7924 -0.1394 0.0322 0.2487 79 HIS A CG 583 N ND1 . HIS A 81 ? 1.2452 0.7874 0.8081 -0.1281 0.0187 0.2506 79 HIS A ND1 584 C CD2 . HIS A 81 ? 1.2454 0.8332 0.8070 -0.1546 0.0249 0.2611 79 HIS A CD2 585 C CE1 . HIS A 81 ? 1.3747 0.8061 0.8371 -0.1343 0.0025 0.2638 79 HIS A CE1 586 N NE2 . HIS A 81 ? 1.3642 0.8221 0.8245 -0.1517 0.0058 0.2712 79 HIS A NE2 587 N N . ASN A 82 ? 0.7958 0.7630 0.7092 -0.0711 0.0659 0.2134 80 ASN A N 588 C CA . ASN A 82 ? 0.7094 0.7539 0.6859 -0.0655 0.0789 0.2021 80 ASN A CA 589 C C . ASN A 82 ? 0.6748 0.7398 0.6803 -0.0647 0.0853 0.1945 80 ASN A C 590 O O . ASN A 82 ? 0.6222 0.7419 0.6627 -0.0692 0.0967 0.1862 80 ASN A O 591 C CB . ASN A 82 ? 0.7060 0.7914 0.6821 -0.0909 0.0922 0.2001 80 ASN A CB 592 C CG . ASN A 82 ? 0.7448 0.8015 0.6797 -0.0988 0.0864 0.2089 80 ASN A CG 593 O OD1 . ASN A 82 ? 0.7114 0.7573 0.6491 -0.0751 0.0750 0.2107 80 ASN A OD1 594 N ND2 . ASN A 82 ? 0.8158 0.8637 0.7096 -0.1356 0.0938 0.2143 80 ASN A ND2 595 N N . ASP A 83 ? 0.6997 0.7163 0.6845 -0.0551 0.0763 0.1969 81 ASP A N 596 C CA . ASP A 83 ? 0.6645 0.6898 0.6693 -0.0522 0.0800 0.1900 81 ASP A CA 597 C C . ASP A 83 ? 0.6411 0.6677 0.6709 -0.0151 0.0736 0.1851 81 ASP A C 598 O O . ASP A 83 ? 0.6897 0.6702 0.6915 0.0053 0.0620 0.1875 81 ASP A O 599 C CB . ASP A 83 ? 0.7305 0.6939 0.6801 -0.0764 0.0762 0.1948 81 ASP A CB 600 C CG . ASP A 83 ? 0.6916 0.6535 0.6526 -0.0728 0.0777 0.1876 81 ASP A CG 601 O OD1 . ASP A 83 ? 0.6140 0.6276 0.6270 -0.0540 0.0830 0.1796 81 ASP A OD1 602 O OD2 . ASP A 83 ? 0.7651 0.6665 0.6748 -0.0914 0.0730 0.1901 81 ASP A OD2 603 N N . GLY A 84 ? 0.5826 0.6625 0.6604 -0.0058 0.0809 0.1775 82 GLY A N 604 C CA . GLY A 84 ? 0.5655 0.6613 0.6693 0.0208 0.0780 0.1720 82 GLY A CA 605 C C . GLY A 84 ? 0.5481 0.6549 0.6695 0.0232 0.0840 0.1651 82 GLY A C 606 O O . GLY A 84 ? 0.5259 0.6641 0.6755 0.0327 0.0878 0.1595 82 GLY A O 607 N N . SER A 85 ? 0.5773 0.6551 0.6755 0.0099 0.0846 0.1658 83 SER A N 608 C CA . SER A 85 ? 0.5645 0.6496 0.6735 0.0096 0.0892 0.1594 83 SER A CA 609 C C . SER A 85 ? 0.5699 0.6475 0.6831 0.0355 0.0870 0.1537 83 SER A C 610 O O . SER A 85 ? 0.6075 0.6586 0.7016 0.0555 0.0793 0.1540 83 SER A O 611 C CB . SER A 85 ? 0.6058 0.6596 0.6822 -0.0150 0.0885 0.1607 83 SER A CB 612 O OG . SER A 85 ? 0.6115 0.6880 0.6859 -0.0420 0.0922 0.1642 83 SER A OG 613 N N . LEU A 86 ? 0.5414 0.6453 0.6768 0.0369 0.0936 0.1476 84 LEU A N 614 C CA . LEU A 86 ? 0.5449 0.6564 0.6877 0.0571 0.0954 0.1402 84 LEU A CA 615 C C . LEU A 86 ? 0.5670 0.6481 0.6880 0.0567 0.0963 0.1352 84 LEU A C 616 O O . LEU A 86 ? 0.5609 0.6383 0.6774 0.0366 0.0981 0.1360 84 LEU A O 617 C CB . LEU A 86 ? 0.5104 0.6682 0.6842 0.0543 0.1029 0.1373 84 LEU A CB 618 C CG . LEU A 86 ? 0.5106 0.6927 0.6946 0.0675 0.1081 0.1290 84 LEU A CG 619 C CD1 . LEU A 86 ? 0.5119 0.7068 0.6973 0.0927 0.1027 0.1248 84 LEU A CD1 620 C CD2 . LEU A 86 ? 0.5213 0.7372 0.7220 0.0531 0.1151 0.1284 84 LEU A CD2 621 N N . LEU A 87 ? 0.5938 0.6583 0.7005 0.0814 0.0943 0.1283 85 LEU A N 622 C CA . LEU A 87 ? 0.6241 0.6558 0.7047 0.0858 0.0956 0.1209 85 LEU A CA 623 C C . LEU A 87 ? 0.6121 0.6846 0.7138 0.1056 0.1039 0.1104 85 LEU A C 624 O O . LEU A 87 ? 0.6347 0.7252 0.7404 0.1352 0.1027 0.1037 85 LEU A O 625 C CB . LEU A 87 ? 0.6942 0.6518 0.7194 0.1009 0.0851 0.1196 85 LEU A CB 626 C CG . LEU A 87 ? 0.7311 0.6460 0.7199 0.1134 0.0857 0.1088 85 LEU A CG 627 C CD1 . LEU A 87 ? 0.7139 0.6179 0.6941 0.0763 0.0889 0.1102 85 LEU A CD1 628 C CD2 . LEU A 87 ? 0.7920 0.6190 0.7129 0.1372 0.0731 0.1062 85 LEU A CD2 629 N N . LEU A 88 ? 0.5895 0.6807 0.7022 0.0893 0.1119 0.1084 86 LEU A N 630 C CA . LEU A 88 ? 0.5850 0.7141 0.7111 0.0989 0.1221 0.0988 86 LEU A CA 631 C C . LEU A 88 ? 0.6316 0.7241 0.7249 0.1075 0.1237 0.0895 86 LEU A C 632 O O . LEU A 88 ? 0.6377 0.6992 0.7122 0.0877 0.1215 0.0920 86 LEU A O 633 C CB . LEU A 88 ? 0.5427 0.7057 0.6898 0.0748 0.1292 0.1034 86 LEU A CB 634 C CG . LEU A 88 ? 0.5453 0.7511 0.7018 0.0744 0.1414 0.0956 86 LEU A CG 635 C CD1 . LEU A 88 ? 0.5273 0.7845 0.7050 0.0928 0.1447 0.0883 86 LEU A CD1 636 C CD2 . LEU A 88 ? 0.4755 0.6915 0.6346 0.0474 0.1453 0.1025 86 LEU A CD2 637 N N . GLN A 89 ? 0.6682 0.7694 0.7536 0.1394 0.1267 0.0772 87 GLN A N 638 C CA . GLN A 89 ? 0.7282 0.7897 0.7749 0.1553 0.1285 0.0651 87 GLN A CA 639 C C . GLN A 89 ? 0.7238 0.8325 0.7840 0.1507 0.1433 0.0563 87 GLN A C 640 O O . GLN A 89 ? 0.6981 0.8753 0.7945 0.1434 0.1529 0.0563 87 GLN A O 641 C CB . GLN A 89 ? 0.7849 0.8219 0.8043 0.2021 0.1224 0.0537 87 GLN A CB 642 C CG . GLN A 89 ? 0.8520 0.8040 0.8253 0.2068 0.1058 0.0610 87 GLN A CG 643 C CD . GLN A 89 ? 0.9289 0.8405 0.8595 0.2610 0.0973 0.0484 87 GLN A CD 644 O OE1 . GLN A 89 ? 0.9248 0.9012 0.8856 0.2976 0.0989 0.0402 87 GLN A OE1 645 N NE2 . GLN A 89 ? 1.0261 0.8303 0.8812 0.2673 0.0871 0.0455 87 GLN A NE2 646 N N . ASP A 90 ? 0.7667 0.8334 0.7900 0.1507 0.1448 0.0486 88 ASP A N 647 C CA . ASP A 90 ? 0.7721 0.8745 0.7950 0.1524 0.1594 0.0371 88 ASP A CA 648 C C . ASP A 90 ? 0.7079 0.8648 0.7641 0.1198 0.1680 0.0463 88 ASP A C 649 O O . ASP A 90 ? 0.6851 0.9079 0.7652 0.1201 0.1806 0.0411 88 ASP A O 650 C CB . ASP A 90 ? 0.8038 0.9498 0.8315 0.1953 0.1676 0.0193 88 ASP A CB 651 C CG . ASP A 90 ? 0.9012 1.0316 0.8924 0.2140 0.1766 0.0014 88 ASP A CG 652 O OD1 . ASP A 90 ? 0.9423 1.0627 0.9209 0.1846 0.1827 0.0036 88 ASP A OD1 653 O OD2 . ASP A 90 ? 1.0256 1.1511 0.9961 0.2612 0.1764 -0.0155 88 ASP A OD2 654 N N . VAL A 91 ? 0.6912 0.8181 0.7427 0.0911 0.1602 0.0595 89 VAL A N 655 C CA . VAL A 91 ? 0.6480 0.8023 0.7162 0.0637 0.1633 0.0701 89 VAL A CA 656 C C . VAL A 91 ? 0.6540 0.8226 0.7044 0.0511 0.1752 0.0650 89 VAL A C 657 O O . VAL A 91 ? 0.6717 0.8113 0.6927 0.0521 0.1753 0.0590 89 VAL A O 658 C CB . VAL A 91 ? 0.6334 0.7544 0.6971 0.0459 0.1496 0.0829 89 VAL A CB 659 C CG1 . VAL A 91 ? 0.6153 0.7481 0.6801 0.0263 0.1504 0.0920 89 VAL A CG1 660 C CG2 . VAL A 91 ? 0.6282 0.7425 0.7090 0.0513 0.1404 0.0891 89 VAL A CG2 661 N N . GLN A 92 ? 0.6475 0.8587 0.7105 0.0353 0.1852 0.0675 90 GLN A N 662 C CA . GLN A 92 ? 0.6760 0.8986 0.7149 0.0138 0.1974 0.0656 90 GLN A CA 663 C C . GLN A 92 ? 0.6664 0.8528 0.6833 -0.0124 0.1891 0.0811 90 GLN A C 664 O O . GLN A 92 ? 0.6305 0.7987 0.6584 -0.0125 0.1768 0.0915 90 GLN A O 665 C CB . GLN A 92 ? 0.6853 0.9801 0.7415 0.0063 0.2150 0.0571 90 GLN A CB 666 C CG . GLN A 92 ? 0.7336 1.0770 0.8134 0.0424 0.2218 0.0393 90 GLN A CG 667 C CD . GLN A 92 ? 0.7926 1.2279 0.9038 0.0362 0.2349 0.0318 90 GLN A CD 668 O OE1 . GLN A 92 ? 0.8165 1.2692 0.9322 0.0006 0.2367 0.0419 90 GLN A OE1 669 N NE2 . GLN A 92 ? 0.8156 1.3110 0.9447 0.0715 0.2430 0.0127 90 GLN A NE2 670 N N . LYS A 93 ? 0.7058 0.8799 0.6856 -0.0318 0.1958 0.0817 91 LYS A N 671 C CA . LYS A 93 ? 0.7264 0.8553 0.6689 -0.0529 0.1868 0.0959 91 LYS A CA 672 C C . LYS A 93 ? 0.7172 0.8540 0.6621 -0.0722 0.1890 0.1037 91 LYS A C 673 O O . LYS A 93 ? 0.7231 0.8149 0.6455 -0.0769 0.1760 0.1154 91 LYS A O 674 C CB . LYS A 93 ? 0.7801 0.8915 0.6725 -0.0727 0.1952 0.0947 91 LYS A CB 675 C CG . LYS A 93 ? 0.8436 0.8942 0.6814 -0.0907 0.1835 0.1096 91 LYS A CG 676 C CD . LYS A 93 ? 0.8635 0.8736 0.6945 -0.0678 0.1600 0.1156 91 LYS A CD 677 C CE . LYS A 93 ? 0.9293 0.8760 0.6954 -0.0764 0.1463 0.1285 91 LYS A CE 678 N NZ . LYS A 93 ? 0.9428 0.8672 0.7055 -0.0498 0.1217 0.1325 91 LYS A NZ 679 N N . ALA A 94 ? 0.7065 0.9033 0.6762 -0.0816 0.2048 0.0954 92 ALA A N 680 C CA . ALA A 94 ? 0.7097 0.9214 0.6780 -0.1085 0.2084 0.1009 92 ALA A CA 681 C C . ALA A 94 ? 0.6841 0.8798 0.6796 -0.0909 0.1932 0.1077 92 ALA A C 682 O O . ALA A 94 ? 0.7117 0.8866 0.6907 -0.1098 0.1890 0.1157 92 ALA A O 683 C CB . ALA A 94 ? 0.6925 0.9936 0.6901 -0.1207 0.2277 0.0879 92 ALA A CB 684 N N . ASP A 95 ? 0.6508 0.8507 0.6802 -0.0570 0.1851 0.1040 93 ASP A N 685 C CA . ASP A 95 ? 0.6129 0.8049 0.6699 -0.0399 0.1724 0.1090 93 ASP A CA 686 C C . ASP A 95 ? 0.6167 0.7523 0.6488 -0.0371 0.1572 0.1196 93 ASP A C 687 O O . ASP A 95 ? 0.6100 0.7396 0.6605 -0.0236 0.1472 0.1233 93 ASP A O 688 C CB . ASP A 95 ? 0.5925 0.7999 0.6812 -0.0102 0.1691 0.1017 93 ASP A CB 689 C CG . ASP A 95 ? 0.6263 0.8907 0.7401 0.0011 0.1804 0.0894 93 ASP A CG 690 O OD1 . ASP A 95 ? 0.6290 0.9402 0.7501 -0.0163 0.1906 0.0866 93 ASP A OD1 691 O OD2 . ASP A 95 ? 0.6882 0.9502 0.8099 0.0281 0.1780 0.0817 93 ASP A OD2 692 N N . GLU A 96 ? 0.6497 0.7470 0.6372 -0.0473 0.1552 0.1235 94 GLU A N 693 C CA . GLU A 96 ? 0.6642 0.7123 0.6235 -0.0361 0.1382 0.1317 94 GLU A CA 694 C C . GLU A 96 ? 0.6804 0.6990 0.6188 -0.0427 0.1331 0.1387 94 GLU A C 695 O O . GLU A 96 ? 0.7251 0.7188 0.6235 -0.0694 0.1392 0.1420 94 GLU A O 696 C CB . GLU A 96 ? 0.7118 0.7208 0.6197 -0.0418 0.1346 0.1344 94 GLU A CB 697 C CG . GLU A 96 ? 0.7511 0.7227 0.6345 -0.0196 0.1139 0.1401 94 GLU A CG 698 C CD . GLU A 96 ? 0.8460 0.7820 0.6785 -0.0221 0.1079 0.1425 94 GLU A CD 699 O OE1 . GLU A 96 ? 0.8927 0.7891 0.6716 -0.0452 0.1143 0.1472 94 GLU A OE1 700 O OE2 . GLU A 96 ? 0.8737 0.8216 0.7156 -0.0047 0.0965 0.1397 94 GLU A OE2 701 N N . GLY A 97 ? 0.6546 0.6749 0.6151 -0.0212 0.1223 0.1400 95 GLY A N 702 C CA . GLY A 97 ? 0.6802 0.6653 0.6152 -0.0211 0.1158 0.1449 95 GLY A CA 703 C C . GLY A 97 ? 0.6397 0.6448 0.6095 0.0021 0.1081 0.1436 95 GLY A C 704 O O . GLY A 97 ? 0.5996 0.6366 0.6033 0.0202 0.1034 0.1407 95 GLY A O 705 N N . ILE A 98 ? 0.6534 0.6388 0.6092 -0.0036 0.1076 0.1454 96 ILE A N 706 C CA . ILE A 98 ? 0.6233 0.6227 0.6026 0.0163 0.1017 0.1438 96 ILE A CA 707 C C . ILE A 98 ? 0.5693 0.6147 0.5946 0.0038 0.1106 0.1419 96 ILE A C 708 O O . ILE A 98 ? 0.5781 0.6271 0.5984 -0.0204 0.1180 0.1421 96 ILE A O 709 C CB . ILE A 98 ? 0.6835 0.6203 0.6065 0.0238 0.0929 0.1458 96 ILE A CB 710 C CG1 . ILE A 98 ? 0.7727 0.6506 0.6354 0.0399 0.0813 0.1483 96 ILE A CG1 711 C CG2 . ILE A 98 ? 0.6399 0.5970 0.5857 0.0494 0.0876 0.1419 96 ILE A CG2 712 C CD1 . ILE A 98 ? 0.9248 0.7151 0.7086 0.0483 0.0709 0.1502 96 ILE A CD1 713 N N . TYR A 99 ? 0.5314 0.6141 0.5979 0.0191 0.1088 0.1399 97 TYR A N 714 C CA . TYR A 99 ? 0.5020 0.6199 0.6051 0.0136 0.1135 0.1390 97 TYR A CA 715 C C . TYR A 99 ? 0.5031 0.6221 0.6105 0.0244 0.1087 0.1393 97 TYR A C 716 O O . TYR A 99 ? 0.4993 0.6242 0.6087 0.0411 0.1036 0.1378 97 TYR A O 717 C CB . TYR A 99 ? 0.4680 0.6157 0.6022 0.0180 0.1159 0.1369 97 TYR A CB 718 C CG . TYR A 99 ? 0.4867 0.6399 0.6186 0.0101 0.1228 0.1340 97 TYR A CG 719 C CD1 . TYR A 99 ? 0.5528 0.6855 0.6596 0.0079 0.1225 0.1338 97 TYR A CD1 720 C CD2 . TYR A 99 ? 0.4792 0.6613 0.6311 0.0078 0.1290 0.1303 97 TYR A CD2 721 C CE1 . TYR A 99 ? 0.5595 0.6998 0.6610 -0.0007 0.1308 0.1301 97 TYR A CE1 722 C CE2 . TYR A 99 ? 0.5074 0.7044 0.6576 0.0042 0.1371 0.1248 97 TYR A CE2 723 C CZ . TYR A 99 ? 0.5509 0.7265 0.6756 -0.0023 0.1391 0.1247 97 TYR A CZ 724 O OH . TYR A 99 ? 0.5353 0.7280 0.6555 -0.0071 0.1489 0.1183 97 TYR A OH 725 N N . THR A 100 ? 0.5225 0.6434 0.6310 0.0139 0.1107 0.1399 98 THR A N 726 C CA . THR A 100 ? 0.5424 0.6588 0.6469 0.0219 0.1071 0.1394 98 THR A CA 727 C C . THR A 100 ? 0.5268 0.6740 0.6598 0.0156 0.1087 0.1406 98 THR A C 728 O O . THR A 100 ? 0.5260 0.6858 0.6656 0.0015 0.1106 0.1409 98 THR A O 729 C CB . THR A 100 ? 0.5911 0.6584 0.6474 0.0156 0.1043 0.1388 98 THR A CB 730 O OG1 . THR A 100 ? 0.6714 0.6977 0.6896 0.0313 0.0989 0.1379 98 THR A OG1 731 C CG2 . THR A 100 ? 0.6165 0.6792 0.6664 0.0229 0.1018 0.1366 98 THR A CG2 732 N N . CYS A 101 ? 0.5329 0.6958 0.6799 0.0258 0.1073 0.1407 99 CYS A N 733 C CA . CYS A 101 ? 0.5362 0.7169 0.6988 0.0215 0.1067 0.1432 99 CYS A CA 734 C C . CYS A 101 ? 0.5468 0.7183 0.6932 0.0215 0.1053 0.1420 99 CYS A C 735 O O . CYS A 101 ? 0.5536 0.7195 0.6870 0.0331 0.1056 0.1384 99 CYS A O 736 C CB . CYS A 101 ? 0.5283 0.7247 0.7051 0.0243 0.1067 0.1451 99 CYS A CB 737 S SG . CYS A 101 ? 0.6079 0.8076 0.7895 0.0195 0.1033 0.1504 99 CYS A SG 738 N N . GLU A 102 ? 0.5540 0.7287 0.7003 0.0104 0.1032 0.1435 100 GLU A N 739 C CA . GLU A 102 ? 0.5740 0.7391 0.7025 0.0073 0.1010 0.1423 100 GLU A CA 740 C C . GLU A 102 ? 0.5405 0.7276 0.6841 0.0040 0.0973 0.1466 100 GLU A C 741 O O . GLU A 102 ? 0.5306 0.7359 0.6874 -0.0012 0.0931 0.1485 100 GLU A O 742 C CB . GLU A 102 ? 0.6199 0.7598 0.7197 -0.0085 0.0990 0.1395 100 GLU A CB 743 C CG . GLU A 102 ? 0.7350 0.8253 0.7914 -0.0006 0.0991 0.1347 100 GLU A CG 744 C CD . GLU A 102 ? 0.8638 0.9113 0.8734 -0.0206 0.0956 0.1319 100 GLU A CD 745 O OE1 . GLU A 102 ? 0.8845 0.9319 0.8852 -0.0248 0.0931 0.1302 100 GLU A OE1 746 O OE2 . GLU A 102 ? 0.9479 0.9569 0.9225 -0.0359 0.0949 0.1316 100 GLU A OE2 747 N N . ILE A 103 ? 0.5238 0.7119 0.6618 0.0085 0.0985 0.1475 101 ILE A N 748 C CA . ILE A 103 ? 0.5201 0.7163 0.6586 0.0045 0.0937 0.1528 101 ILE A CA 749 C C . ILE A 103 ? 0.5273 0.7153 0.6436 -0.0005 0.0925 0.1502 101 ILE A C 750 O O . ILE A 103 ? 0.5428 0.7228 0.6428 0.0048 0.0984 0.1446 101 ILE A O 751 C CB . ILE A 103 ? 0.5185 0.7183 0.6577 0.0048 0.0966 0.1571 101 ILE A CB 752 C CG1 . ILE A 103 ? 0.5259 0.7242 0.6784 0.0076 0.0963 0.1593 101 ILE A CG1 753 C CG2 . ILE A 103 ? 0.5387 0.7320 0.6632 -0.0009 0.0905 0.1639 101 ILE A CG2 754 C CD1 . ILE A 103 ? 0.5031 0.6958 0.6457 -0.0010 0.0980 0.1638 101 ILE A CD1 755 N N . ARG A 104 ? 0.5142 0.7079 0.6283 -0.0081 0.0840 0.1529 102 ARG A N 756 C CA . ARG A 104 ? 0.5243 0.7093 0.6137 -0.0155 0.0809 0.1512 102 ARG A CA 757 C C . ARG A 104 ? 0.5140 0.7025 0.5973 -0.0143 0.0779 0.1583 102 ARG A C 758 O O . ARG A 104 ? 0.5010 0.6958 0.5926 -0.0107 0.0694 0.1655 102 ARG A O 759 C CB . ARG A 104 ? 0.5370 0.7298 0.6217 -0.0298 0.0718 0.1492 102 ARG A CB 760 C CG . ARG A 104 ? 0.5788 0.7618 0.6348 -0.0395 0.0664 0.1477 102 ARG A CG 761 C CD . ARG A 104 ? 0.5939 0.7677 0.6274 -0.0615 0.0616 0.1412 102 ARG A CD 762 N NE . ARG A 104 ? 0.6266 0.7909 0.6305 -0.0713 0.0550 0.1396 102 ARG A NE 763 C CZ . ARG A 104 ? 0.6915 0.8187 0.6511 -0.0880 0.0543 0.1316 102 ARG A CZ 764 N NH1 . ARG A 104 ? 0.7700 0.8584 0.7037 -0.0967 0.0590 0.1252 102 ARG A NH1 765 N NH2 . ARG A 104 ? 0.7091 0.8290 0.6412 -0.0962 0.0480 0.1300 102 ARG A NH2 766 N N . LEU A 105 ? 0.5274 0.7085 0.5897 -0.0158 0.0851 0.1554 103 LEU A N 767 C CA . LEU A 105 ? 0.5392 0.7198 0.5854 -0.0215 0.0851 0.1622 103 LEU A CA 768 C C . LEU A 105 ? 0.5700 0.7428 0.5933 -0.0282 0.0748 0.1644 103 LEU A C 769 O O . LEU A 105 ? 0.5901 0.7590 0.6043 -0.0314 0.0721 0.1573 103 LEU A O 770 C CB . LEU A 105 ? 0.5407 0.7329 0.5766 -0.0222 0.1000 0.1561 103 LEU A CB 771 C CG . LEU A 105 ? 0.5037 0.7159 0.5609 -0.0184 0.1092 0.1538 103 LEU A CG 772 C CD1 . LEU A 105 ? 0.5014 0.7460 0.5508 -0.0180 0.1234 0.1450 103 LEU A CD1 773 C CD2 . LEU A 105 ? 0.4635 0.6672 0.5251 -0.0289 0.1044 0.1653 103 LEU A CD2 774 N N . LYS A 106 ? 0.5942 0.7585 0.6003 -0.0324 0.0679 0.1745 104 LYS A N 775 C CA . LYS A 106 ? 0.6305 0.7881 0.6118 -0.0371 0.0548 0.1781 104 LYS A CA 776 C C . LYS A 106 ? 0.6570 0.8103 0.6108 -0.0465 0.0634 0.1700 104 LYS A C 777 O O . LYS A 106 ? 0.6824 0.8315 0.6166 -0.0523 0.0535 0.1686 104 LYS A O 778 C CB . LYS A 106 ? 0.6663 0.8022 0.6223 -0.0365 0.0435 0.1919 104 LYS A CB 779 C CG . LYS A 106 ? 0.6735 0.8105 0.6472 -0.0179 0.0278 0.1972 104 LYS A CG 780 C CD . LYS A 106 ? 0.7434 0.8441 0.6777 -0.0093 0.0108 0.2103 104 LYS A CD 781 C CE . LYS A 106 ? 0.7522 0.8615 0.7037 0.0200 -0.0068 0.2114 104 LYS A CE 782 N NZ . LYS A 106 ? 0.8612 0.9292 0.7651 0.0386 -0.0292 0.2230 104 LYS A NZ 783 N N . ASN A 107 ? 0.6583 0.8173 0.6099 -0.0460 0.0813 0.1630 105 ASN A N 784 C CA . ASN A 107 ? 0.6809 0.8383 0.6047 -0.0466 0.0915 0.1512 105 ASN A CA 785 C C . ASN A 107 ? 0.6948 0.8381 0.6180 -0.0370 0.0913 0.1386 105 ASN A C 786 O O . ASN A 107 ? 0.7420 0.8707 0.6347 -0.0311 0.0980 0.1261 105 ASN A O 787 C CB . ASN A 107 ? 0.6773 0.8597 0.5971 -0.0464 0.1106 0.1462 105 ASN A CB 788 C CG . ASN A 107 ? 0.6300 0.8350 0.5804 -0.0308 0.1208 0.1378 105 ASN A CG 789 O OD1 . ASN A 107 ? 0.6005 0.7924 0.5693 -0.0199 0.1148 0.1357 105 ASN A OD1 790 N ND2 . ASN A 107 ? 0.6077 0.8522 0.5615 -0.0319 0.1363 0.1325 105 ASN A ND2 791 N N . GLU A 108 ? 0.6778 0.8203 0.6272 -0.0363 0.0832 0.1417 106 GLU A N 792 C CA . GLU A 108 ? 0.7012 0.8216 0.6418 -0.0381 0.0793 0.1334 106 GLU A CA 793 C C . GLU A 108 ? 0.7109 0.8157 0.6484 -0.0212 0.0900 0.1237 106 GLU A C 794 O O . GLU A 108 ? 0.7364 0.8113 0.6593 -0.0238 0.0867 0.1186 106 GLU A O 795 C CB . GLU A 108 ? 0.7482 0.8424 0.6450 -0.0513 0.0726 0.1270 106 GLU A CB 796 C CG . GLU A 108 ? 0.7798 0.8941 0.6796 -0.0667 0.0575 0.1365 106 GLU A CG 797 C CD . GLU A 108 ? 0.8547 0.9465 0.7102 -0.0839 0.0492 0.1297 106 GLU A CD 798 O OE1 . GLU A 108 ? 0.9037 0.9685 0.7369 -0.0967 0.0469 0.1210 106 GLU A OE1 799 O OE2 . GLU A 108 ? 0.8495 0.9446 0.6854 -0.0877 0.0446 0.1334 106 GLU A OE2 800 N N . SER A 109 ? 0.7065 0.8330 0.6539 -0.0052 0.1020 0.1210 107 SER A N 801 C CA . SER A 109 ? 0.7037 0.8295 0.6569 0.0166 0.1096 0.1128 107 SER A CA 802 C C . SER A 109 ? 0.6708 0.8051 0.6600 0.0118 0.1052 0.1214 107 SER A C 803 O O . SER A 109 ? 0.6467 0.7966 0.6596 -0.0028 0.0992 0.1324 107 SER A O 804 C CB . SER A 109 ? 0.6986 0.8680 0.6615 0.0321 0.1231 0.1069 107 SER A CB 805 O OG . SER A 109 ? 0.6895 0.8639 0.6553 0.0594 0.1275 0.0967 107 SER A OG 806 N N . MET A 110 ? 0.6845 0.8048 0.6718 0.0277 0.1073 0.1155 108 MET A N 807 C CA . MET A 110 ? 0.6665 0.7951 0.6843 0.0246 0.1050 0.1221 108 MET A CA 808 C C . MET A 110 ? 0.6301 0.7887 0.6687 0.0433 0.1120 0.1191 108 MET A C 809 O O . MET A 110 ? 0.6461 0.8153 0.6712 0.0648 0.1176 0.1088 108 MET A O 810 C CB . MET A 110 ? 0.7107 0.7937 0.7033 0.0189 0.0990 0.1198 108 MET A CB 811 C CG . MET A 110 ? 0.7777 0.8564 0.7675 -0.0096 0.0912 0.1249 108 MET A CG 812 S SD . MET A 110 ? 0.9281 0.9778 0.9022 -0.0302 0.0871 0.1251 108 MET A SD 813 C CE . MET A 110 ? 0.9315 1.0170 0.9196 -0.0634 0.0785 0.1293 108 MET A CE 814 N N . VAL A 111 ? 0.5777 0.7555 0.6488 0.0356 0.1111 0.1269 109 VAL A N 815 C CA . VAL A 111 ? 0.5412 0.7482 0.6323 0.0474 0.1155 0.1246 109 VAL A CA 816 C C . VAL A 111 ? 0.5409 0.7283 0.6391 0.0483 0.1111 0.1273 109 VAL A C 817 O O . VAL A 111 ? 0.5315 0.7173 0.6461 0.0334 0.1082 0.1350 109 VAL A O 818 C CB . VAL A 111 ? 0.5078 0.7537 0.6223 0.0317 0.1197 0.1311 109 VAL A CB 819 C CG1 . VAL A 111 ? 0.4872 0.7678 0.6215 0.0369 0.1231 0.1281 109 VAL A CG1 820 C CG2 . VAL A 111 ? 0.4645 0.7310 0.5660 0.0257 0.1258 0.1288 109 VAL A CG2 821 N N . MET A 112 ? 0.5732 0.7439 0.6533 0.0690 0.1099 0.1200 110 MET A N 822 C CA . MET A 112 ? 0.5719 0.7249 0.6530 0.0710 0.1064 0.1222 110 MET A CA 823 C C . MET A 112 ? 0.5549 0.7515 0.6596 0.0846 0.1081 0.1194 110 MET A C 824 O O . MET A 112 ? 0.5746 0.7984 0.6750 0.1073 0.1094 0.1104 110 MET A O 825 C CB . MET A 112 ? 0.6299 0.7218 0.6608 0.0838 0.1010 0.1171 110 MET A CB 826 C CG . MET A 112 ? 0.6920 0.7543 0.7122 0.0786 0.0974 0.1210 110 MET A CG 827 S SD . MET A 112 ? 0.8411 0.8093 0.7800 0.0892 0.0893 0.1165 110 MET A SD 828 C CE . MET A 112 ? 0.8371 0.7880 0.7698 0.0871 0.0862 0.1218 110 MET A CE 829 N N . LYS A 113 ? 0.5288 0.7376 0.6574 0.0709 0.1079 0.1256 111 LYS A N 830 C CA . LYS A 113 ? 0.5199 0.7667 0.6667 0.0777 0.1078 0.1230 111 LYS A CA 831 C C . LYS A 113 ? 0.5537 0.7733 0.6815 0.0958 0.1015 0.1204 111 LYS A C 832 O O . LYS A 113 ? 0.5818 0.7502 0.6857 0.0913 0.0991 0.1238 111 LYS A O 833 C CB . LYS A 113 ? 0.4937 0.7563 0.6643 0.0533 0.1098 0.1301 111 LYS A CB 834 C CG . LYS A 113 ? 0.5209 0.8053 0.6986 0.0354 0.1142 0.1332 111 LYS A CG 835 C CD . LYS A 113 ? 0.6034 0.9147 0.7916 0.0156 0.1155 0.1351 111 LYS A CD 836 C CE . LYS A 113 ? 0.6599 1.0018 0.8447 -0.0044 0.1212 0.1358 111 LYS A CE 837 N NZ . LYS A 113 ? 0.6774 1.0422 0.8618 -0.0326 0.1224 0.1372 111 LYS A NZ 838 N N . LYS A 114 ? 0.5638 0.8212 0.6986 0.1146 0.0983 0.1140 112 LYS A N 839 C CA . LYS A 114 ? 0.5959 0.8276 0.7074 0.1363 0.0895 0.1118 112 LYS A CA 840 C C . LYS A 114 ? 0.5841 0.7777 0.6922 0.1143 0.0893 0.1204 112 LYS A C 841 O O . LYS A 114 ? 0.5491 0.7673 0.6856 0.0927 0.0933 0.1243 112 LYS A O 842 C CB . LYS A 114 ? 0.5978 0.8959 0.7284 0.1554 0.0847 0.1039 112 LYS A CB 843 C CG . LYS A 114 ? 0.6604 1.0016 0.7866 0.1905 0.0831 0.0912 112 LYS A CG 844 C CD . LYS A 114 ? 0.7234 1.1193 0.8542 0.2240 0.0726 0.0813 112 LYS A CD 845 C CE . LYS A 114 ? 0.7831 1.2276 0.9065 0.2701 0.0703 0.0653 112 LYS A CE 846 N NZ . LYS A 114 ? 0.8238 1.3129 0.9413 0.3167 0.0555 0.0542 112 LYS A NZ 847 N N . PRO A 115 ? 0.6253 0.7553 0.6915 0.1187 0.0850 0.1226 113 PRO A N 848 C CA . PRO A 115 ? 0.6233 0.7302 0.6868 0.0969 0.0870 0.1290 113 PRO A CA 849 C C . PRO A 115 ? 0.6067 0.7418 0.6846 0.1024 0.0831 0.1281 113 PRO A C 850 O O . PRO A 115 ? 0.6107 0.7611 0.6796 0.1288 0.0741 0.1230 113 PRO A O 851 C CB . PRO A 115 ? 0.6906 0.7224 0.6940 0.0981 0.0825 0.1309 113 PRO A CB 852 C CG . PRO A 115 ? 0.7241 0.7294 0.6976 0.1175 0.0785 0.1259 113 PRO A CG 853 C CD . PRO A 115 ? 0.6965 0.7681 0.7076 0.1419 0.0781 0.1188 113 PRO A CD 854 N N . VAL A 116 ? 0.5793 0.7227 0.6771 0.0794 0.0889 0.1318 114 VAL A N 855 C CA . VAL A 116 ? 0.5680 0.7352 0.6783 0.0773 0.0862 0.1306 114 VAL A CA 856 C C . VAL A 116 ? 0.5832 0.7115 0.6654 0.0712 0.0859 0.1334 114 VAL A C 857 O O . VAL A 116 ? 0.5857 0.6955 0.6648 0.0530 0.0942 0.1360 114 VAL A O 858 C CB . VAL A 116 ? 0.5373 0.7332 0.6803 0.0567 0.0929 0.1313 114 VAL A CB 859 C CG1 . VAL A 116 ? 0.5560 0.7639 0.7013 0.0496 0.0899 0.1293 114 VAL A CG1 860 C CG2 . VAL A 116 ? 0.5415 0.7740 0.7049 0.0558 0.0939 0.1296 114 VAL A CG2 861 N N . GLU A 117 ? 0.6044 0.7271 0.6653 0.0871 0.0758 0.1319 115 GLU A N 862 C CA . GLU A 117 ? 0.6306 0.7153 0.6583 0.0802 0.0746 0.1348 115 GLU A CA 863 C C . GLU A 117 ? 0.5922 0.7028 0.6447 0.0623 0.0805 0.1332 115 GLU A C 864 O O . GLU A 117 ? 0.5686 0.7175 0.6425 0.0642 0.0755 0.1294 115 GLU A O 865 C CB . GLU A 117 ? 0.6828 0.7478 0.6720 0.1076 0.0584 0.1341 115 GLU A CB 866 C CG . GLU A 117 ? 0.7428 0.7642 0.6897 0.1340 0.0494 0.1342 115 GLU A CG 867 C CD . GLU A 117 ? 0.8406 0.8372 0.7416 0.1691 0.0302 0.1330 115 GLU A CD 868 O OE1 . GLU A 117 ? 0.9051 0.8539 0.7635 0.1606 0.0264 0.1383 115 GLU A OE1 869 O OE2 . GLU A 117 ? 0.8827 0.9113 0.7885 0.2069 0.0184 0.1259 115 GLU A OE2 870 N N . LEU A 118 ? 0.5887 0.6798 0.6344 0.0435 0.0915 0.1347 116 LEU A N 871 C CA . LEU A 118 ? 0.5673 0.6707 0.6241 0.0316 0.0977 0.1312 116 LEU A CA 872 C C . LEU A 118 ? 0.6008 0.6756 0.6190 0.0276 0.0965 0.1320 116 LEU A C 873 O O . LEU A 118 ? 0.6081 0.6561 0.5991 0.0160 0.1037 0.1347 116 LEU A O 874 C CB . LEU A 118 ? 0.5450 0.6583 0.6220 0.0202 0.1110 0.1292 116 LEU A CB 875 C CG . LEU A 118 ? 0.5314 0.6502 0.6117 0.0152 0.1182 0.1231 116 LEU A CG 876 C CD1 . LEU A 118 ? 0.5389 0.6631 0.6272 0.0172 0.1109 0.1201 116 LEU A CD1 877 C CD2 . LEU A 118 ? 0.4556 0.5914 0.5542 0.0141 0.1293 0.1195 116 LEU A CD2 878 N N . TRP A 119 ? 0.6214 0.7043 0.6343 0.0334 0.0869 0.1296 117 TRP A N 879 C CA . TRP A 119 ? 0.6658 0.7226 0.6398 0.0302 0.0837 0.1300 117 TRP A CA 880 C C . TRP A 119 ? 0.6531 0.7198 0.6354 0.0164 0.0931 0.1234 117 TRP A C 881 O O . TRP A 119 ? 0.6284 0.7168 0.6308 0.0153 0.0892 0.1185 117 TRP A O 882 C CB . TRP A 119 ? 0.6909 0.7539 0.6495 0.0488 0.0638 0.1303 117 TRP A CB 883 C CG . TRP A 119 ? 0.7530 0.7996 0.6922 0.0729 0.0520 0.1345 117 TRP A CG 884 C CD1 . TRP A 119 ? 0.7206 0.7971 0.6881 0.0885 0.0484 0.1327 117 TRP A CD1 885 C CD2 . TRP A 119 ? 0.8880 0.8755 0.7648 0.0865 0.0415 0.1405 117 TRP A CD2 886 N NE1 . TRP A 119 ? 0.7700 0.8113 0.6983 0.1155 0.0363 0.1354 117 TRP A NE1 887 C CE2 . TRP A 119 ? 0.8948 0.8747 0.7631 0.1150 0.0307 0.1409 117 TRP A CE2 888 C CE3 . TRP A 119 ? 0.9742 0.9080 0.7935 0.0770 0.0399 0.1454 117 TRP A CE3 889 C CZ2 . TRP A 119 ? 1.0106 0.9207 0.8090 0.1378 0.0165 0.1459 117 TRP A CZ2 890 C CZ3 . TRP A 119 ? 1.0715 0.9361 0.8208 0.0943 0.0261 0.1522 117 TRP A CZ3 891 C CH2 . TRP A 119 ? 1.0914 0.9397 0.8279 0.1262 0.0135 0.1524 117 TRP A CH2 892 N N . VAL A 120 ? 0.6810 0.7295 0.6413 0.0044 0.1059 0.1224 118 VAL A N 893 C CA . VAL A 120 ? 0.6879 0.7432 0.6493 -0.0029 0.1167 0.1135 118 VAL A CA 894 C C . VAL A 120 ? 0.7392 0.7739 0.6615 -0.0072 0.1111 0.1120 118 VAL A C 895 O O . VAL A 120 ? 0.7800 0.7894 0.6634 -0.0140 0.1120 0.1170 118 VAL A O 896 C CB . VAL A 120 ? 0.6819 0.7489 0.6476 -0.0115 0.1362 0.1095 118 VAL A CB 897 C CG1 . VAL A 120 ? 0.6859 0.7632 0.6536 -0.0080 0.1464 0.0971 118 VAL A CG1 898 C CG2 . VAL A 120 ? 0.6341 0.7226 0.6349 -0.0078 0.1392 0.1118 118 VAL A CG2 899 N N . LEU A 121 ? 0.7528 0.7931 0.6788 -0.0065 0.1047 0.1054 119 LEU A N 900 C CA . LEU A 121 ? 0.7969 0.8212 0.6866 -0.0117 0.0972 0.1023 119 LEU A CA 901 C C . LEU A 121 ? 0.8329 0.8447 0.7026 -0.0189 0.1143 0.0922 119 LEU A C 902 O O . LEU A 121 ? 0.8111 0.8341 0.7008 -0.0152 0.1294 0.0859 119 LEU A O 903 C CB . LEU A 121 ? 0.7985 0.8388 0.6981 -0.0135 0.0807 0.0987 119 LEU A CB 904 C CG . LEU A 121 ? 0.7954 0.8623 0.7064 -0.0030 0.0610 0.1056 119 LEU A CG 905 C CD1 . LEU A 121 ? 0.7485 0.8543 0.6877 -0.0111 0.0509 0.1011 119 LEU A CD1 906 C CD2 . LEU A 121 ? 0.8624 0.9160 0.7324 0.0033 0.0464 0.1087 119 LEU A CD2 907 N N . PRO A 122 ? 0.8989 0.8910 0.7270 -0.0260 0.1113 0.0894 120 PRO A N 908 C CA . PRO A 122 ? 0.9416 0.9244 0.7463 -0.0304 0.1285 0.0773 120 PRO A CA 909 C C . PRO A 122 ? 0.9528 0.9308 0.7671 -0.0237 0.1312 0.0641 120 PRO A C 910 O O . PRO A 122 ? 0.9340 0.9093 0.7623 -0.0249 0.1171 0.0653 120 PRO A O 911 C CB . PRO A 122 ? 0.9851 0.9432 0.7393 -0.0399 0.1192 0.0783 120 PRO A CB 912 C CG . PRO A 122 ? 0.9795 0.9324 0.7268 -0.0373 0.1005 0.0931 120 PRO A CG 913 C CD . PRO A 122 ? 0.9252 0.9042 0.7221 -0.0265 0.0917 0.0967 120 PRO A CD 914 N N . GLU A 123 ? 0.9962 0.9716 0.7959 -0.0170 0.1494 0.0510 121 GLU A N 915 C CA . GLU A 123 ? 1.0404 0.9964 0.8351 -0.0027 0.1530 0.0365 121 GLU A CA 916 C C . GLU A 123 ? 1.0913 1.0049 0.8509 -0.0141 0.1365 0.0321 121 GLU A C 917 O O . GLU A 123 ? 1.1158 1.0186 0.8440 -0.0283 0.1294 0.0324 121 GLU A O 918 C CB . GLU A 123 ? 1.0756 1.0417 0.8538 0.0136 0.1754 0.0199 121 GLU A CB 919 C CG . GLU A 123 ? 1.1303 1.0758 0.9034 0.0416 0.1792 0.0045 121 GLU A CG 920 C CD . GLU A 123 ? 1.2069 1.1823 0.9715 0.0669 0.2020 -0.0143 121 GLU A CD 921 O OE1 . GLU A 123 ? 1.2321 1.2066 0.9620 0.0606 0.2121 -0.0233 121 GLU A OE1 922 O OE2 . GLU A 123 ? 1.2143 1.2203 1.0066 0.0942 0.2095 -0.0210 121 GLU A OE2 923 N N . GLU A 124 ? 1.5358 0.9126 0.8363 -0.1683 0.3653 0.1640 122 GLU A N 924 C CA . GLU A 124 ? 1.5007 0.8917 0.8429 -0.1104 0.3449 0.1553 122 GLU A CA 925 C C . GLU A 124 ? 1.5388 0.9398 0.8617 -0.1084 0.3616 0.1511 122 GLU A C 926 O O . GLU A 124 ? 1.5727 1.0054 0.8826 -0.1478 0.3926 0.1532 122 GLU A O 927 C CB . GLU A 124 ? 1.3853 0.8766 0.8454 -0.0863 0.3397 0.1484 122 GLU A CB 928 C CG . GLU A 124 ? 1.3656 0.8441 0.8536 -0.0370 0.3090 0.1406 122 GLU A CG 929 C CD . GLU A 124 ? 1.3371 0.8654 0.8960 -0.0297 0.2990 0.1398 122 GLU A CD 930 O OE1 . GLU A 124 ? 1.3827 0.8848 0.9169 -0.0506 0.2966 0.1452 122 GLU A OE1 931 O OE2 . GLU A 124 ? 1.3023 0.8892 0.9341 -0.0053 0.2942 0.1334 122 GLU A OE2 932 N N . PRO A 125 ? 1.5455 0.9252 0.8653 -0.0649 0.3421 0.1431 123 PRO A N 933 C CA . PRO A 125 ? 1.5827 0.9611 0.8721 -0.0627 0.3564 0.1373 123 PRO A CA 934 C C . PRO A 125 ? 1.5204 1.0011 0.8821 -0.0750 0.3894 0.1300 123 PRO A C 935 O O . PRO A 125 ? 1.5746 1.0664 0.9005 -0.1053 0.4187 0.1303 123 PRO A O 936 C CB . PRO A 125 ? 1.5613 0.9267 0.8654 -0.0128 0.3261 0.1258 123 PRO A CB 937 C CG . PRO A 125 ? 1.5685 0.8865 0.8572 0.0065 0.2940 0.1296 123 PRO A CG 938 C CD . PRO A 125 ? 1.5214 0.8752 0.8548 -0.0196 0.3058 0.1371 123 PRO A CD 939 N N . ARG A 126 ? 1.4082 0.9617 0.8673 -0.0494 0.3842 0.1229 124 ARG A N 940 C CA . ARG A 126 ? 1.3479 0.9999 0.8823 -0.0488 0.4106 0.1159 124 ARG A CA 941 C C . ARG A 126 ? 1.3298 0.9889 0.8613 -0.0249 0.4214 0.1015 124 ARG A C 942 O O . ARG A 126 ? 1.2918 1.0227 0.8800 -0.0123 0.4415 0.0926 124 ARG A O 943 C CB . ARG A 126 ? 1.3843 1.0847 0.9120 -0.0956 0.4413 0.1218 124 ARG A CB 944 C CG . ARG A 126 ? 1.4274 1.1305 0.9632 -0.1247 0.4336 0.1333 124 ARG A CG 945 C CD . ARG A 126 ? 1.3731 1.1601 1.0100 -0.1031 0.4262 0.1321 124 ARG A CD 946 N NE . ARG A 126 ? 1.4102 1.1986 1.0509 -0.1313 0.4175 0.1414 124 ARG A NE 947 C CZ . ARG A 126 ? 1.3934 1.2488 1.1086 -0.1214 0.4098 0.1431 124 ARG A CZ 948 N NH1 . ARG A 126 ? 1.3569 1.2763 1.1451 -0.0824 0.4094 0.1382 124 ARG A NH1 949 N NH2 . ARG A 126 ? 1.4123 1.2629 1.1209 -0.1506 0.4022 0.1497 124 ARG A NH2 950 N N . ASP A 127 ? 1.3594 0.9419 0.8203 -0.0159 0.4066 0.0982 125 ASP A N 951 C CA . ASP A 127 ? 1.3618 0.9399 0.8061 0.0037 0.4150 0.0824 125 ASP A CA 952 C C . ASP A 127 ? 1.3476 0.8687 0.7677 0.0325 0.3810 0.0743 125 ASP A C 953 O O . ASP A 127 ? 1.4053 0.8577 0.7483 0.0304 0.3627 0.0785 125 ASP A O 954 C CB . ASP A 127 ? 1.4496 1.0067 0.8154 -0.0260 0.4420 0.0834 125 ASP A CB 955 C CG . ASP A 127 ? 1.4591 1.0854 0.8568 -0.0207 0.4772 0.0676 125 ASP A CG 956 O OD1 . ASP A 127 ? 1.4625 1.1085 0.9063 0.0157 0.4729 0.0525 125 ASP A OD1 957 O OD2 . ASP A 127 ? 1.4687 1.1292 0.8426 -0.0537 0.5102 0.0690 125 ASP A OD2 958 N N . LEU A 128 ? 1.2729 0.8242 0.7567 0.0590 0.3723 0.0621 126 LEU A N 959 C CA . LEU A 128 ? 1.2601 0.7780 0.7379 0.0806 0.3394 0.0518 126 LEU A CA 960 C C . LEU A 128 ? 1.2886 0.7896 0.7377 0.0925 0.3432 0.0319 126 LEU A C 961 O O . LEU A 128 ? 1.2875 0.8153 0.7596 0.0973 0.3688 0.0219 126 LEU A O 962 C CB . LEU A 128 ? 1.1876 0.7417 0.7452 0.0930 0.3258 0.0508 126 LEU A CB 963 C CG . LEU A 128 ? 1.1649 0.6999 0.7225 0.1063 0.2900 0.0428 126 LEU A CG 964 C CD1 . LEU A 128 ? 1.1401 0.6401 0.6507 0.1050 0.2691 0.0540 126 LEU A CD1 965 C CD2 . LEU A 128 ? 1.1104 0.6843 0.7438 0.1115 0.2839 0.0409 126 LEU A CD2 966 N N . ARG A 129 ? 1.3257 0.7825 0.7216 0.0999 0.3156 0.0250 127 ARG A N 967 C CA . ARG A 129 ? 1.3707 0.8042 0.7237 0.1073 0.3141 0.0049 127 ARG A CA 968 C C . ARG A 129 ? 1.3552 0.7881 0.7252 0.1210 0.2805 -0.0121 127 ARG A C 969 O O . ARG A 129 ? 1.3735 0.7875 0.7087 0.1285 0.2483 -0.0120 127 ARG A O 970 C CB . ARG A 129 ? 1.4592 0.8413 0.7130 0.0986 0.3131 0.0111 127 ARG A CB 971 C CG . ARG A 129 ? 1.5358 0.8908 0.7319 0.1044 0.3103 -0.0092 127 ARG A CG 972 C CD . ARG A 129 ? 1.6324 0.9333 0.7230 0.0926 0.3140 0.0014 127 ARG A CD 973 N NE . ARG A 129 ? 1.6736 0.9302 0.7169 0.0995 0.2791 0.0182 127 ARG A NE 974 C CZ . ARG A 129 ? 1.7905 0.9843 0.7383 0.0877 0.2798 0.0368 127 ARG A CZ 975 N NH1 . ARG A 129 ? 1.8392 1.0164 0.7323 0.0613 0.3163 0.0409 127 ARG A NH1 976 N NH2 . ARG A 129 ? 1.8556 1.0002 0.7578 0.1028 0.2449 0.0508 127 ARG A NH2 977 N N . VAL A 130 ? 1.3337 0.7873 0.7532 0.1241 0.2886 -0.0277 128 VAL A N 978 C CA . VAL A 130 ? 1.3388 0.7976 0.7775 0.1266 0.2620 -0.0470 128 VAL A CA 979 C C . VAL A 130 ? 1.4091 0.8394 0.7967 0.1252 0.2614 -0.0721 128 VAL A C 980 O O . VAL A 130 ? 1.4458 0.8553 0.8010 0.1257 0.2890 -0.0774 128 VAL A O 981 C CB . VAL A 130 ? 1.2859 0.7703 0.7993 0.1242 0.2696 -0.0489 128 VAL A CB 982 C CG1 . VAL A 130 ? 1.2706 0.7702 0.8056 0.1171 0.2401 -0.0652 128 VAL A CG1 983 C CG2 . VAL A 130 ? 1.2664 0.7797 0.8279 0.1249 0.2784 -0.0241 128 VAL A CG2 984 N N . ARG A 131 ? 1.4298 0.8665 0.8118 0.1225 0.2297 -0.0898 129 ARG A N 985 C CA . ARG A 131 ? 1.5011 0.9150 0.8340 0.1165 0.2226 -0.1173 129 ARG A CA 986 C C . ARG A 131 ? 1.4860 0.9046 0.8593 0.1015 0.2239 -0.1389 129 ARG A C 987 O O . ARG A 131 ? 1.4467 0.9001 0.8728 0.0932 0.2075 -0.1389 129 ARG A O 988 C CB . ARG A 131 ? 1.5468 0.9677 0.8322 0.1225 0.1826 -0.1235 129 ARG A CB 989 C CG . ARG A 131 ? 1.6264 1.0540 0.8887 0.1111 0.1597 -0.1563 129 ARG A CG 990 C CD . ARG A 131 ? 1.7164 1.1544 0.9232 0.1258 0.1193 -0.1590 129 ARG A CD 991 N NE . ARG A 131 ? 1.7718 1.2526 0.9847 0.1151 0.0855 -0.1900 129 ARG A NE 992 C CZ . ARG A 131 ? 1.8361 1.3389 1.0038 0.1298 0.0451 -0.1994 129 ARG A CZ 993 N NH1 . ARG A 131 ? 1.8759 1.3450 0.9792 0.1576 0.0337 -0.1777 129 ARG A NH1 994 N NH2 . ARG A 131 ? 1.8622 1.4201 1.0446 0.1155 0.0154 -0.2308 129 ARG A NH2 995 N N . VAL A 132 ? 1.5342 0.9120 0.8761 0.0969 0.2457 -0.1576 130 VAL A N 996 C CA . VAL A 132 ? 1.5399 0.8959 0.9035 0.0817 0.2538 -0.1767 130 VAL A CA 997 C C . VAL A 132 ? 1.5330 0.9197 0.9137 0.0565 0.2202 -0.1945 130 VAL A C 998 O O . VAL A 132 ? 1.5609 0.9692 0.9089 0.0507 0.1919 -0.2094 130 VAL A O 999 C CB . VAL A 132 ? 1.6231 0.9181 0.9277 0.0816 0.2764 -0.2017 130 VAL A CB 1000 C CG1 . VAL A 132 ? 1.6532 0.9056 0.9665 0.0646 0.2840 -0.2208 130 VAL A CG1 1001 C CG2 . VAL A 132 ? 1.6154 0.8959 0.9083 0.1079 0.3129 -0.1883 130 VAL A CG2 1002 N N . GLY A 133 ? 1.5012 0.8945 0.9324 0.0412 0.2236 -0.1929 131 GLY A N 1003 C CA . GLY A 133 ? 1.5055 0.9345 0.9585 0.0086 0.1983 -0.2124 131 GLY A CA 1004 C C . GLY A 133 ? 1.4388 0.9488 0.9396 0.0149 0.1707 -0.1999 131 GLY A C 1005 O O . GLY A 133 ? 1.4353 1.0009 0.9534 -0.0058 0.1437 -0.2190 131 GLY A O 1006 N N . ASP A 134 ? 1.3928 0.9115 0.9131 0.0438 0.1781 -0.1698 132 ASP A N 1007 C CA . ASP A 134 ? 1.3394 0.9206 0.8998 0.0560 0.1557 -0.1559 132 ASP A CA 1008 C C . ASP A 134 ? 1.2710 0.8584 0.8841 0.0612 0.1739 -0.1297 132 ASP A C 1009 O O . ASP A 134 ? 1.2687 0.8153 0.8873 0.0612 0.2028 -0.1185 132 ASP A O 1010 C CB . ASP A 134 ? 1.3618 0.9433 0.8788 0.0853 0.1392 -0.1455 132 ASP A CB 1011 C CG . ASP A 134 ? 1.4394 1.0455 0.9167 0.0851 0.1053 -0.1706 132 ASP A CG 1012 O OD1 . ASP A 134 ? 1.4759 1.1083 0.9654 0.0575 0.0955 -0.1986 132 ASP A OD1 1013 O OD2 . ASP A 134 ? 1.4799 1.0777 0.9092 0.1109 0.0877 -0.1624 132 ASP A OD2 1014 N N . THR A 135 ? 1.2179 0.8599 0.8675 0.0692 0.1547 -0.1216 133 THR A N 1015 C CA . THR A 135 ? 1.1553 0.8113 0.8528 0.0736 0.1671 -0.0981 133 THR A CA 1016 C C . THR A 135 ? 1.1327 0.7754 0.8127 0.1007 0.1694 -0.0736 133 THR A C 1017 O O . THR A 135 ? 1.1617 0.8052 0.8048 0.1186 0.1492 -0.0746 133 THR A O 1018 C CB . THR A 135 ? 1.1168 0.8421 0.8650 0.0630 0.1481 -0.1062 133 THR A CB 1019 O OG1 . THR A 135 ? 1.1329 0.8725 0.8942 0.0273 0.1480 -0.1298 133 THR A OG1 1020 C CG2 . THR A 135 ? 1.0831 0.8176 0.8742 0.0663 0.1622 -0.0821 133 THR A CG2 1021 N N . THR A 136 ? 1.0904 0.7175 0.7919 0.1021 0.1940 -0.0518 134 THR A N 1022 C CA . THR A 136 ? 1.0713 0.6910 0.7626 0.1172 0.1989 -0.0285 134 THR A CA 1023 C C . THR A 136 ? 1.0138 0.6597 0.7579 0.1133 0.2068 -0.0119 134 THR A C 1024 O O . THR A 136 ? 0.9919 0.6546 0.7764 0.1004 0.2126 -0.0151 134 THR A O 1025 C CB . THR A 136 ? 1.1035 0.6840 0.7578 0.1205 0.2247 -0.0185 134 THR A CB 1026 O OG1 . THR A 136 ? 1.0999 0.6730 0.7361 0.1260 0.2283 0.0021 134 THR A OG1 1027 C CG2 . THR A 136 ? 1.0879 0.6655 0.7754 0.1156 0.2528 -0.0145 134 THR A CG2 1028 N N . GLN A 137 ? 1.0023 0.6447 0.7369 0.1220 0.2068 0.0058 135 GLN A N 1029 C CA . GLN A 137 ? 0.9502 0.6156 0.7267 0.1178 0.2137 0.0219 135 GLN A CA 1030 C C . GLN A 137 ? 0.9516 0.6025 0.7193 0.1144 0.2368 0.0416 135 GLN A C 1031 O O . GLN A 137 ? 0.9886 0.6106 0.7080 0.1159 0.2409 0.0468 135 GLN A O 1032 C CB . GLN A 137 ? 0.9452 0.6258 0.7197 0.1286 0.1905 0.0214 135 GLN A CB 1033 C CG . GLN A 137 ? 0.9018 0.6013 0.7102 0.1233 0.1972 0.0365 135 GLN A CG 1034 C CD . GLN A 137 ? 0.8984 0.6092 0.7012 0.1387 0.1749 0.0317 135 GLN A CD 1035 O OE1 . GLN A 137 ? 0.8673 0.6189 0.7125 0.1359 0.1712 0.0277 135 GLN A OE1 1036 N NE2 . GLN A 137 ? 0.9562 0.6270 0.7005 0.1574 0.1603 0.0314 135 GLN A NE2 1037 N N . MET A 138 ? 0.9224 0.5970 0.7349 0.1079 0.2519 0.0522 136 MET A N 1038 C CA . MET A 138 ? 0.9294 0.6130 0.7468 0.1030 0.2719 0.0695 136 MET A CA 1039 C C . MET A 138 ? 0.8939 0.6035 0.7420 0.0958 0.2668 0.0820 136 MET A C 1040 O O . MET A 138 ? 0.8632 0.5975 0.7537 0.0947 0.2665 0.0846 136 MET A O 1041 C CB . MET A 138 ? 0.9337 0.6280 0.7742 0.1083 0.2935 0.0702 136 MET A CB 1042 C CG . MET A 138 ? 1.0114 0.6769 0.8155 0.1157 0.3026 0.0560 136 MET A CG 1043 S SD . MET A 138 ? 1.1069 0.7763 0.9330 0.1322 0.3272 0.0532 136 MET A SD 1044 C CE . MET A 138 ? 1.1167 0.7655 0.9657 0.1304 0.3127 0.0470 136 MET A CE 1045 N N . ARG A 139 ? 0.9098 0.6054 0.7273 0.0892 0.2631 0.0895 137 ARG A N 1046 C CA . ARG A 139 ? 0.8830 0.5926 0.7165 0.0822 0.2558 0.0977 137 ARG A CA 1047 C C . ARG A 139 ? 0.8635 0.6010 0.7153 0.0649 0.2736 0.1130 137 ARG A C 1048 O O . ARG A 139 ? 0.8739 0.6116 0.7061 0.0540 0.2901 0.1181 137 ARG A O 1049 C CB . ARG A 139 ? 0.9218 0.5893 0.7037 0.0878 0.2378 0.0945 137 ARG A CB 1050 C CG . ARG A 139 ? 1.0166 0.6356 0.7332 0.0767 0.2455 0.1025 137 ARG A CG 1051 C CD . ARG A 139 ? 1.1263 0.6961 0.7926 0.0794 0.2302 0.1049 137 ARG A CD 1052 N NE . ARG A 139 ? 1.2760 0.7758 0.8580 0.0710 0.2332 0.1111 137 ARG A NE 1053 C CZ . ARG A 139 ? 1.3712 0.8236 0.8978 0.0920 0.2180 0.1051 137 ARG A CZ 1054 N NH1 . ARG A 139 ? 1.3472 0.8256 0.9011 0.1214 0.1981 0.0900 137 ARG A NH1 1055 N NH2 . ARG A 139 ? 1.4791 0.8590 0.9190 0.0805 0.2226 0.1139 137 ARG A NH2 1056 N N . CYS A 140 ? 0.8362 0.6050 0.7265 0.0609 0.2698 0.1187 138 CYS A N 1057 C CA . CYS A 140 ? 0.8176 0.6259 0.7324 0.0451 0.2815 0.1320 138 CYS A CA 1058 C C . CYS A 140 ? 0.7930 0.6140 0.7243 0.0388 0.2700 0.1351 138 CYS A C 1059 O O . CYS A 140 ? 0.7842 0.6186 0.7444 0.0484 0.2622 0.1322 138 CYS A O 1060 C CB . CYS A 140 ? 0.7921 0.6410 0.7497 0.0560 0.2942 0.1365 138 CYS A CB 1061 S SG . CYS A 140 ? 0.7634 0.6795 0.7635 0.0465 0.3015 0.1518 138 CYS A SG 1062 N N . SER A 141 ? 0.8042 0.6168 0.7105 0.0190 0.2703 0.1398 139 SER A N 1063 C CA . SER A 141 ? 0.7916 0.6095 0.7036 0.0125 0.2602 0.1401 139 SER A CA 1064 C C . SER A 141 ? 0.8186 0.6293 0.7015 -0.0167 0.2647 0.1457 139 SER A C 1065 O O . SER A 141 ? 0.8827 0.6523 0.7152 -0.0323 0.2706 0.1458 139 SER A O 1066 C CB . SER A 141 ? 0.8124 0.5899 0.6995 0.0314 0.2433 0.1264 139 SER A CB 1067 O OG . SER A 141 ? 0.8845 0.5995 0.7076 0.0325 0.2392 0.1226 139 SER A OG 1068 N N . ILE A 142 ? 0.7873 0.6339 0.6955 -0.0278 0.2622 0.1499 140 ILE A N 1069 C CA . ILE A 142 ? 0.8220 0.6568 0.6976 -0.0592 0.2636 0.1514 140 ILE A CA 1070 C C . ILE A 142 ? 0.8446 0.6259 0.6844 -0.0492 0.2498 0.1405 140 ILE A C 1071 O O . ILE A 142 ? 0.8155 0.6038 0.6780 -0.0223 0.2405 0.1334 140 ILE A O 1072 C CB . ILE A 142 ? 0.7855 0.6961 0.7038 -0.0799 0.2680 0.1610 140 ILE A CB 1073 C CG1 . ILE A 142 ? 0.7997 0.7179 0.7269 -0.0786 0.2569 0.1588 140 ILE A CG1 1074 C CG2 . ILE A 142 ? 0.7353 0.7109 0.7109 -0.0621 0.2744 0.1699 140 ILE A CG2 1075 C CD1 . ILE A 142 ? 0.8548 0.8398 0.8089 -0.1024 0.2581 0.1677 140 ILE A CD1 1076 N N . GLN A 143 ? 0.9093 0.6358 0.6886 -0.0718 0.2496 0.1374 141 GLN A N 1077 C CA . GLN A 143 ? 0.9610 0.6219 0.6921 -0.0557 0.2369 0.1246 141 GLN A CA 1078 C C . GLN A 143 ? 0.9862 0.6477 0.7022 -0.0825 0.2371 0.1222 141 GLN A C 1079 O O . GLN A 143 ? 1.0216 0.6780 0.7116 -0.1245 0.2460 0.1277 141 GLN A O 1080 C CB . GLN A 143 ? 1.0494 0.6106 0.6964 -0.0513 0.2339 0.1211 141 GLN A CB 1081 C CG . GLN A 143 ? 1.0383 0.5939 0.6900 -0.0254 0.2320 0.1223 141 GLN A CG 1082 C CD . GLN A 143 ? 1.1354 0.5882 0.6938 -0.0241 0.2289 0.1224 141 GLN A CD 1083 O OE1 . GLN A 143 ? 1.2193 0.5896 0.7066 -0.0204 0.2203 0.1168 141 GLN A OE1 1084 N NE2 . GLN A 143 ? 1.1641 0.6131 0.7141 -0.0254 0.2358 0.1286 141 GLN A NE2 1085 N N . SER A 144 ? 0.9772 0.6492 0.7079 -0.0609 0.2280 0.1118 142 SER A N 1086 C CA . SER A 144 ? 0.9984 0.6762 0.7168 -0.0835 0.2278 0.1073 142 SER A CA 1087 C C . SER A 144 ? 1.0326 0.6700 0.7210 -0.0545 0.2181 0.0881 142 SER A C 1088 O O . SER A 144 ? 1.0265 0.6778 0.7388 -0.0145 0.2112 0.0787 142 SER A O 1089 C CB . SER A 144 ? 0.9257 0.7028 0.7163 -0.0968 0.2315 0.1185 142 SER A CB 1090 O OG . SER A 144 ? 0.8801 0.6986 0.7209 -0.0647 0.2277 0.1169 142 SER A OG 1091 N N . THR A 145 ? 1.0837 0.6766 0.7196 -0.0767 0.2184 0.0802 143 THR A N 1092 C CA . THR A 145 ? 1.1129 0.6705 0.7169 -0.0496 0.2114 0.0592 143 THR A CA 1093 C C . THR A 145 ? 1.0387 0.6930 0.7142 -0.0421 0.2127 0.0570 143 THR A C 1094 O O . THR A 145 ? 1.0495 0.7068 0.7219 -0.0140 0.2094 0.0383 143 THR A O 1095 C CB . THR A 145 ? 1.2043 0.6823 0.7261 -0.0808 0.2131 0.0502 143 THR A CB 1096 O OG1 . THR A 145 ? 1.1653 0.7056 0.7150 -0.1325 0.2203 0.0608 143 THR A OG1 1097 C CG2 . THR A 145 ? 1.2778 0.6419 0.7118 -0.0932 0.2133 0.0528 143 THR A CG2 1098 N N . GLU A 146 ? 0.9763 0.7085 0.7123 -0.0663 0.2182 0.0762 144 GLU A N 1099 C CA . GLU A 146 ? 0.9211 0.7366 0.7154 -0.0668 0.2202 0.0804 144 GLU A CA 1100 C C . GLU A 146 ? 0.8504 0.7197 0.7073 -0.0507 0.2218 0.0926 144 GLU A C 1101 O O . GLU A 146 ? 0.8324 0.7122 0.7079 -0.0590 0.2242 0.1084 144 GLU A O 1102 C CB . GLU A 146 ? 0.9196 0.7743 0.7193 -0.1084 0.2226 0.0931 144 GLU A CB 1103 C CG . GLU A 146 ? 1.0122 0.8371 0.7615 -0.1258 0.2215 0.0774 144 GLU A CG 1104 C CD . GLU A 146 ? 1.0965 0.9536 0.8615 -0.1055 0.2224 0.0648 144 GLU A CD 1105 O OE1 . GLU A 146 ? 1.0835 1.0111 0.9021 -0.1047 0.2243 0.0780 144 GLU A OE1 1106 O OE2 . GLU A 146 ? 1.1879 0.9970 0.9067 -0.0905 0.2221 0.0411 144 GLU A OE2 1107 N N . GLU A 147 ? 0.8192 0.7235 0.7054 -0.0303 0.2219 0.0834 145 GLU A N 1108 C CA . GLU A 147 ? 0.7722 0.7170 0.7082 -0.0186 0.2239 0.0910 145 GLU A CA 1109 C C . GLU A 147 ? 0.7256 0.7220 0.6976 -0.0384 0.2289 0.1115 145 GLU A C 1110 O O . GLU A 147 ? 0.7217 0.7368 0.6862 -0.0581 0.2294 0.1181 145 GLU A O 1111 C CB . GLU A 147 ? 0.7725 0.7346 0.7210 0.0081 0.2224 0.0689 145 GLU A CB 1112 C CG . GLU A 147 ? 0.8275 0.8271 0.7794 0.0038 0.2272 0.0561 145 GLU A CG 1113 C CD . GLU A 147 ? 0.9399 0.9550 0.8924 0.0359 0.2247 0.0258 145 GLU A CD 1114 O OE1 . GLU A 147 ? 0.9541 0.9647 0.9158 0.0601 0.2179 0.0174 145 GLU A OE1 1115 O OE2 . GLU A 147 ? 1.0021 1.0399 0.9459 0.0386 0.2293 0.0088 145 GLU A OE2 1116 N N . LYS A 148 ? 0.6873 0.6994 0.6914 -0.0314 0.2313 0.1213 146 LYS A N 1117 C CA . LYS A 148 ? 0.6605 0.7045 0.6902 -0.0422 0.2349 0.1422 146 LYS A CA 1118 C C . LYS A 148 ? 0.6577 0.7155 0.6859 -0.0556 0.2324 0.1621 146 LYS A C 1119 O O . LYS A 148 ? 0.6694 0.7552 0.7006 -0.0667 0.2311 0.1755 146 LYS A O 1120 C CB . LYS A 148 ? 0.6596 0.7316 0.6917 -0.0522 0.2390 0.1382 146 LYS A CB 1121 C CG . LYS A 148 ? 0.6779 0.7598 0.7195 -0.0426 0.2429 0.1155 146 LYS A CG 1122 C CD . LYS A 148 ? 0.6888 0.8063 0.7336 -0.0602 0.2513 0.1138 146 LYS A CD 1123 C CE . LYS A 148 ? 0.6917 0.8393 0.7523 -0.0553 0.2569 0.0878 146 LYS A CE 1124 N NZ . LYS A 148 ? 0.7339 0.9218 0.7931 -0.0784 0.2687 0.0841 146 LYS A NZ 1125 N N . ARG A 149 ? 0.6543 0.6971 0.6758 -0.0556 0.2316 0.1633 147 ARG A N 1126 C CA . ARG A 149 ? 0.6490 0.7220 0.6756 -0.0701 0.2299 0.1785 147 ARG A CA 1127 C C . ARG A 149 ? 0.6308 0.7214 0.6862 -0.0548 0.2327 0.1934 147 ARG A C 1128 O O . ARG A 149 ? 0.6265 0.7610 0.6984 -0.0570 0.2303 0.2082 147 ARG A O 1129 C CB . ARG A 149 ? 0.6798 0.7306 0.6736 -0.0899 0.2300 0.1683 147 ARG A CB 1130 C CG . ARG A 149 ? 0.7115 0.7440 0.6691 -0.1068 0.2266 0.1547 147 ARG A CG 1131 C CD . ARG A 149 ? 0.7353 0.8201 0.7026 -0.1242 0.2218 0.1654 147 ARG A CD 1132 N NE . ARG A 149 ? 0.8065 0.8724 0.7385 -0.1364 0.2202 0.1499 147 ARG A NE 1133 C CZ . ARG A 149 ? 0.8507 0.9167 0.7503 -0.1664 0.2168 0.1442 147 ARG A CZ 1134 N NH1 . ARG A 149 ? 0.8616 0.9566 0.7643 -0.1918 0.2145 0.1528 147 ARG A NH1 1135 N NH2 . ARG A 149 ? 0.8931 0.9350 0.7567 -0.1728 0.2167 0.1274 147 ARG A NH2 1136 N N . VAL A 150 ? 0.6261 0.6855 0.6863 -0.0367 0.2370 0.1875 148 VAL A N 1137 C CA . VAL A 150 ? 0.6116 0.6756 0.6922 -0.0187 0.2415 0.1975 148 VAL A CA 1138 C C . VAL A 150 ? 0.6171 0.6861 0.7112 -0.0060 0.2404 0.2115 148 VAL A C 1139 O O . VAL A 150 ? 0.6140 0.6600 0.7023 -0.0072 0.2411 0.2064 148 VAL A O 1140 C CB . VAL A 150 ? 0.6150 0.6379 0.6873 -0.0066 0.2460 0.1843 148 VAL A CB 1141 C CG1 . VAL A 150 ? 0.5781 0.5988 0.6673 0.0136 0.2516 0.1922 148 VAL A CG1 1142 C CG2 . VAL A 150 ? 0.6042 0.6102 0.6516 -0.0177 0.2479 0.1754 148 VAL A CG2 1143 N N . THR A 151 ? 0.6308 0.7304 0.7395 0.0062 0.2387 0.2284 149 THR A N 1144 C CA . THR A 151 ? 0.6596 0.7566 0.7677 0.0198 0.2346 0.2465 149 THR A CA 1145 C C . THR A 151 ? 0.6947 0.7563 0.8039 0.0474 0.2399 0.2516 149 THR A C 1146 O O . THR A 151 ? 0.7417 0.7729 0.8363 0.0593 0.2381 0.2654 149 THR A O 1147 C CB . THR A 151 ? 0.6626 0.8172 0.7802 0.0234 0.2248 0.2631 149 THR A CB 1148 O OG1 . THR A 151 ? 0.6733 0.8681 0.8140 0.0400 0.2269 0.2640 149 THR A OG1 1149 C CG2 . THR A 151 ? 0.6341 0.8195 0.7441 -0.0079 0.2197 0.2562 149 THR A CG2 1150 N N . LYS A 152 ? 0.6907 0.7480 0.8088 0.0562 0.2471 0.2402 150 LYS A N 1151 C CA . LYS A 152 ? 0.7196 0.7427 0.8354 0.0840 0.2535 0.2414 150 LYS A CA 1152 C C . LYS A 152 ? 0.7075 0.7235 0.8266 0.0868 0.2628 0.2247 150 LYS A C 1153 O O . LYS A 152 ? 0.6773 0.7314 0.8055 0.0763 0.2653 0.2190 150 LYS A O 1154 C CB . LYS A 152 ? 0.7523 0.8057 0.8781 0.1160 0.2494 0.2597 150 LYS A CB 1155 C CG . LYS A 152 ? 0.8050 0.8230 0.9249 0.1529 0.2567 0.2594 150 LYS A CG 1156 C CD . LYS A 152 ? 0.8650 0.9113 0.9905 0.1939 0.2494 0.2777 150 LYS A CD 1157 C CE . LYS A 152 ? 0.9359 0.9493 1.0542 0.2377 0.2580 0.2738 150 LYS A CE 1158 N NZ . LYS A 152 ? 0.9695 1.0257 1.0979 0.2884 0.2497 0.2885 150 LYS A NZ 1159 N N . VAL A 153 ? 0.7279 0.6898 0.8325 0.0970 0.2683 0.2168 151 VAL A N 1160 C CA . VAL A 153 ? 0.7322 0.6787 0.8322 0.1029 0.2768 0.2013 151 VAL A CA 1161 C C . VAL A 153 ? 0.7805 0.6838 0.8683 0.1302 0.2841 0.2000 151 VAL A C 1162 O O . VAL A 153 ? 0.8051 0.6543 0.8729 0.1293 0.2828 0.2003 151 VAL A O 1163 C CB . VAL A 153 ? 0.7118 0.6294 0.7969 0.0816 0.2740 0.1839 151 VAL A CB 1164 C CG1 . VAL A 153 ? 0.7094 0.6038 0.7809 0.0889 0.2806 0.1691 151 VAL A CG1 1165 C CG2 . VAL A 153 ? 0.7151 0.6620 0.8026 0.0607 0.2675 0.1821 151 VAL A CG2 1166 N N . ASN A 154 ? 0.7986 0.7236 0.8940 0.1519 0.2935 0.1967 152 ASN A N 1167 C CA . ASN A 154 ? 0.8684 0.7449 0.9454 0.1793 0.3025 0.1895 152 ASN A CA 1168 C C . ASN A 154 ? 0.8690 0.7564 0.9431 0.1844 0.3151 0.1734 152 ASN A C 1169 O O . ASN A 154 ? 0.8506 0.8004 0.9437 0.1817 0.3213 0.1733 152 ASN A O 1170 C CB . ASN A 154 ? 0.9241 0.7968 1.0015 0.2194 0.3023 0.2043 152 ASN A CB 1171 C CG . ASN A 154 ? 0.9475 0.9099 1.0601 0.2425 0.3051 0.2103 152 ASN A CG 1172 O OD1 . ASN A 154 ? 1.0101 1.0324 1.1459 0.2333 0.2957 0.2230 152 ASN A OD1 1173 N ND2 . ASN A 154 ? 0.9900 0.9680 1.1066 0.2721 0.3186 0.1994 152 ASN A ND2 1174 N N . TRP A 155 ? 0.9007 0.7252 0.9457 0.1866 0.3194 0.1588 153 TRP A N 1175 C CA . TRP A 155 ? 0.9137 0.7342 0.9443 0.1910 0.3315 0.1420 153 TRP A CA 1176 C C . TRP A 155 ? 0.9742 0.7722 0.9941 0.2307 0.3445 0.1367 153 TRP A C 1177 O O . TRP A 155 ? 1.0221 0.7519 1.0170 0.2446 0.3428 0.1354 153 TRP A O 1178 C CB . TRP A 155 ? 0.9146 0.6841 0.9159 0.1677 0.3255 0.1258 153 TRP A CB 1179 C CG . TRP A 155 ? 0.8634 0.6561 0.8676 0.1391 0.3150 0.1251 153 TRP A CG 1180 C CD1 . TRP A 155 ? 0.8183 0.6156 0.8321 0.1200 0.3010 0.1297 153 TRP A CD1 1181 C CD2 . TRP A 155 ? 0.8394 0.6457 0.8281 0.1286 0.3179 0.1186 153 TRP A CD2 1182 N NE1 . TRP A 155 ? 0.7695 0.5809 0.7757 0.1039 0.2940 0.1254 153 TRP A NE1 1183 C CE2 . TRP A 155 ? 0.7847 0.5953 0.7712 0.1077 0.3034 0.1200 153 TRP A CE2 1184 C CE3 . TRP A 155 ? 0.8815 0.6928 0.8519 0.1346 0.3325 0.1116 153 TRP A CE3 1185 C CZ2 . TRP A 155 ? 0.7930 0.5996 0.7528 0.0954 0.3010 0.1165 153 TRP A CZ2 1186 C CZ3 . TRP A 155 ? 0.8909 0.7024 0.8351 0.1157 0.3316 0.1091 153 TRP A CZ3 1187 C CH2 . TRP A 155 ? 0.8377 0.6405 0.7734 0.0976 0.3149 0.1125 153 TRP A CH2 1188 N N . MET A 156 ? 0.9808 0.8340 1.0148 0.2474 0.3590 0.1322 154 MET A N 1189 C CA . MET A 156 ? 1.0506 0.8953 1.0769 0.2922 0.3738 0.1236 154 MET A CA 1190 C C . MET A 156 ? 1.0685 0.9024 1.0698 0.2895 0.3904 0.1022 154 MET A C 1191 O O . MET A 156 ? 1.0448 0.9260 1.0513 0.2638 0.3970 0.0988 154 MET A O 1192 C CB . MET A 156 ? 1.0499 0.9858 1.1187 0.3233 0.3785 0.1339 154 MET A CB 1193 C CG . MET A 156 ? 1.0833 1.0247 1.1687 0.3331 0.3605 0.1559 154 MET A CG 1194 S SD . MET A 156 ? 1.2168 1.2287 1.3330 0.3988 0.3621 0.1642 154 MET A SD 1195 C CE . MET A 156 ? 1.1821 1.3222 1.3397 0.3933 0.3840 0.1477 154 MET A CE 1196 N N . PHE A 157 ? 1.1294 0.8914 1.0947 0.3147 0.3973 0.0879 155 PHE A N 1197 C CA . PHE A 157 ? 1.1573 0.8966 1.0892 0.3154 0.4131 0.0652 155 PHE A CA 1198 C C . PHE A 157 ? 1.2104 0.9812 1.1471 0.3650 0.4350 0.0543 155 PHE A C 1199 O O . PHE A 157 ? 1.2478 1.0031 1.1892 0.4096 0.4348 0.0587 155 PHE A O 1200 C CB . PHE A 157 ? 1.1966 0.8308 1.0778 0.3028 0.4054 0.0511 155 PHE A CB 1201 C CG . PHE A 157 ? 1.2199 0.8186 1.0585 0.3119 0.4213 0.0259 155 PHE A CG 1202 C CD1 . PHE A 157 ? 1.1951 0.8319 1.0250 0.2904 0.4290 0.0176 155 PHE A CD1 1203 C CD2 . PHE A 157 ? 1.2835 0.8010 1.0811 0.3407 0.4289 0.0104 155 PHE A CD2 1204 C CE1 . PHE A 157 ? 1.2439 0.8476 1.0288 0.2973 0.4440 -0.0058 155 PHE A CE1 1205 C CE2 . PHE A 157 ? 1.3459 0.8287 1.0996 0.3482 0.4440 -0.0152 155 PHE A CE2 1206 C CZ . PHE A 157 ? 1.3146 0.8451 1.0639 0.3264 0.4516 -0.0233 155 PHE A CZ 1207 N N . SER A 158 ? 1.2228 1.0378 1.1539 0.3585 0.4542 0.0398 156 SER A N 1208 C CA . SER A 158 ? 1.2715 1.1341 1.2097 0.4038 0.4795 0.0245 156 SER A CA 1209 C C . SER A 158 ? 1.3039 1.1789 1.2116 0.3875 0.5017 0.0038 156 SER A C 1210 O O . SER A 158 ? 1.2653 1.2123 1.1868 0.3534 0.5108 0.0072 156 SER A O 1211 C CB . SER A 158 ? 1.2258 1.2120 1.2275 0.4209 0.4840 0.0370 156 SER A CB 1212 O OG . SER A 158 ? 1.2647 1.3217 1.2804 0.4619 0.5104 0.0188 156 SER A OG 1213 N N . SER A 159 ? 1.3976 1.1947 1.2556 0.4095 0.5109 -0.0180 157 SER A N 1214 C CA . SER A 159 ? 1.4537 1.2592 1.2752 0.4015 0.5347 -0.0404 157 SER A CA 1215 C C . SER A 159 ? 1.4724 1.3962 1.3328 0.4291 0.5638 -0.0481 157 SER A C 1216 O O . SER A 159 ? 1.4797 1.4460 1.3770 0.4813 0.5685 -0.0485 157 SER A O 1217 C CB . SER A 159 ? 1.5379 1.2355 1.2963 0.4242 0.5394 -0.0653 157 SER A CB 1218 O OG . SER A 159 ? 1.5769 1.2519 1.3393 0.4861 0.5470 -0.0731 157 SER A OG 1219 N N . GLY A 160 ? 1.4868 1.4659 1.3357 0.3928 0.5829 -0.0542 158 GLY A N 1220 C CA . GLY A 160 ? 1.5046 1.6123 1.3897 0.4040 0.6147 -0.0640 158 GLY A CA 1221 C C . GLY A 160 ? 1.5791 1.7126 1.4782 0.4783 0.6340 -0.0864 158 GLY A C 1222 O O . GLY A 160 ? 1.5696 1.8289 1.5214 0.5057 0.6537 -0.0930 158 GLY A O 1223 N N . SER A 161 ? 1.6653 1.6781 1.5137 0.5109 0.6277 -0.0999 159 SER A N 1224 C CA . SER A 161 ? 1.7604 1.7588 1.6032 0.5886 0.6426 -0.1222 159 SER A CA 1225 C C . SER A 161 ? 1.7633 1.7714 1.6514 0.6375 0.6222 -0.1046 159 SER A C 1226 O O . SER A 161 ? 1.7964 1.8731 1.7171 0.7042 0.6348 -0.1149 159 SER A O 1227 C CB . SER A 161 ? 1.8478 1.6933 1.6076 0.5988 0.6407 -0.1424 159 SER A CB 1228 O OG . SER A 161 ? 1.8434 1.5810 1.5769 0.5611 0.6076 -0.1245 159 SER A OG 1229 N N . HIS A 162 ? 1.7344 1.6759 1.6216 0.6051 0.5900 -0.0783 160 HIS A N 1230 C CA . HIS A 162 ? 1.7461 1.6658 1.6579 0.6445 0.5666 -0.0582 160 HIS A CA 1231 C C . HIS A 162 ? 1.7096 1.7787 1.6980 0.6803 0.5696 -0.0491 160 HIS A C 1232 O O . HIS A 162 ? 1.6302 1.8032 1.6692 0.6351 0.5657 -0.0338 160 HIS A O 1233 C CB . HIS A 162 ? 1.6958 1.5476 1.6021 0.5909 0.5348 -0.0309 160 HIS A CB 1234 C CG . HIS A 162 ? 1.7761 1.4674 1.6123 0.5825 0.5222 -0.0362 160 HIS A CG 1235 N ND1 . HIS A 162 ? 1.8959 1.4894 1.6782 0.6345 0.5309 -0.0555 160 HIS A ND1 1236 C CD2 . HIS A 162 ? 1.7555 1.3705 1.5658 0.5269 0.5016 -0.0263 160 HIS A CD2 1237 C CE1 . HIS A 162 ? 1.9488 1.4100 1.6724 0.6037 0.5170 -0.0573 160 HIS A CE1 1238 N NE2 . HIS A 162 ? 1.8562 1.3366 1.6002 0.5390 0.4990 -0.0403 160 HIS A NE2 1239 N N . THR A 163 ? 1.7777 1.8521 1.7694 0.7635 0.5749 -0.0596 161 THR A N 1240 C CA . THR A 163 ? 1.7538 1.9493 1.8127 0.8124 0.5666 -0.0477 161 THR A CA 1241 C C . THR A 163 ? 1.7632 1.8564 1.8030 0.8231 0.5316 -0.0183 161 THR A C 1242 O O . THR A 163 ? 1.8358 1.8945 1.8646 0.8981 0.5209 -0.0142 161 THR A O 1243 C CB . THR A 163 ? 1.8358 2.0887 1.9046 0.9086 0.5868 -0.0739 161 THR A CB 1244 O OG1 . THR A 163 ? 1.8361 2.1740 1.9128 0.8949 0.6235 -0.1043 161 THR A OG1 1245 C CG2 . THR A 163 ? 1.8060 2.2056 1.9508 0.9594 0.5746 -0.0621 161 THR A CG2 1246 N N . GLU A 164 ? 1.6940 1.7360 1.7242 0.7472 0.5144 0.0016 162 GLU A N 1247 C CA . GLU A 164 ? 1.7040 1.6308 1.7029 0.7388 0.4850 0.0270 162 GLU A CA 1248 C C . GLU A 164 ? 1.6092 1.5216 1.6125 0.6508 0.4715 0.0431 162 GLU A C 1249 O O . GLU A 164 ? 1.5646 1.5081 1.5708 0.5992 0.4836 0.0327 162 GLU A O 1250 C CB . GLU A 164 ? 1.8228 1.5743 1.7361 0.7703 0.4860 0.0151 162 GLU A CB 1251 C CG . GLU A 164 ? 1.8674 1.4843 1.7341 0.7551 0.4600 0.0387 162 GLU A CG 1252 C CD . GLU A 164 ? 2.0057 1.4454 1.7795 0.7793 0.4641 0.0240 162 GLU A CD 1253 O OE1 . GLU A 164 ? 2.1113 1.5305 1.8589 0.8456 0.4810 0.0018 162 GLU A OE1 1254 O OE2 . GLU A 164 ? 2.0278 1.3500 1.7526 0.7307 0.4514 0.0325 162 GLU A OE2 1255 N N . GLU A 165 ? 1.5890 1.4511 1.5875 0.6379 0.4461 0.0686 163 GLU A N 1256 C CA . GLU A 165 ? 1.5101 1.3526 1.5107 0.5630 0.4312 0.0833 163 GLU A CA 1257 C C . GLU A 165 ? 1.5481 1.2414 1.4886 0.5486 0.4167 0.0900 163 GLU A C 1258 O O . GLU A 165 ? 1.6361 1.2452 1.5377 0.5944 0.4120 0.0942 163 GLU A O 1259 C CB . GLU A 165 ? 1.4387 1.3854 1.4974 0.5470 0.4157 0.1068 163 GLU A CB 1260 C CG . GLU A 165 ? 1.4027 1.5061 1.5215 0.5436 0.4301 0.0995 163 GLU A CG 1261 C CD . GLU A 165 ? 1.3890 1.6001 1.5622 0.5602 0.4152 0.1180 163 GLU A CD 1262 O OE1 . GLU A 165 ? 1.3523 1.5408 1.5267 0.5304 0.3936 0.1396 163 GLU A OE1 1263 O OE2 . GLU A 165 ? 1.3832 1.7083 1.5982 0.6032 0.4251 0.1092 163 GLU A OE2 1264 N N . GLU A 166 ? 1.4848 1.1462 1.4141 0.4840 0.4101 0.0898 164 GLU A N 1265 C CA . GLU A 166 ? 1.5094 1.0497 1.3884 0.4552 0.3976 0.0932 164 GLU A CA 1266 C C . GLU A 166 ? 1.4085 0.9767 1.3122 0.3969 0.3807 0.1089 164 GLU A C 1267 O O . GLU A 166 ? 1.3299 0.9686 1.2646 0.3625 0.3810 0.1060 164 GLU A O 1268 C CB . GLU A 166 ? 1.5636 1.0224 1.3905 0.4394 0.4085 0.0661 164 GLU A CB 1269 C CG . GLU A 166 ? 1.6135 0.9752 1.3977 0.3903 0.3960 0.0643 164 GLU A CG 1270 C CD . GLU A 166 ? 1.7413 0.9996 1.4809 0.4061 0.3888 0.0771 164 GLU A CD 1271 O OE1 . GLU A 166 ? 1.8635 1.0517 1.5607 0.4575 0.3981 0.0706 164 GLU A OE1 1272 O OE2 . GLU A 166 ? 1.7368 0.9786 1.4775 0.3678 0.3746 0.0931 164 GLU A OE2 1273 N N . THR A 167 ? 1.4103 0.9168 1.2935 0.3876 0.3668 0.1252 165 THR A N 1274 C CA . THR A 167 ? 1.3203 0.8479 1.2224 0.3352 0.3520 0.1378 165 THR A CA 1275 C C . THR A 167 ? 1.2955 0.7779 1.1730 0.2867 0.3509 0.1195 165 THR A C 1276 O O . THR A 167 ? 1.3628 0.7499 1.1900 0.2782 0.3526 0.1089 165 THR A O 1277 C CB . THR A 167 ? 1.3568 0.8341 1.2392 0.3370 0.3397 0.1606 165 THR A CB 1278 O OG1 . THR A 167 ? 1.3500 0.8862 1.2603 0.3821 0.3354 0.1795 165 THR A OG1 1279 C CG2 . THR A 167 ? 1.3002 0.7983 1.1982 0.2803 0.3280 0.1681 165 THR A CG2 1280 N N . VAL A 168 ? 1.1974 0.7483 1.1068 0.2552 0.3470 0.1152 166 VAL A N 1281 C CA . VAL A 168 ? 1.1675 0.6961 1.0607 0.2131 0.3410 0.0983 166 VAL A CA 1282 C C . VAL A 168 ? 1.1282 0.6519 1.0279 0.1775 0.3271 0.1077 166 VAL A C 1283 O O . VAL A 168 ? 1.1630 0.6348 1.0350 0.1488 0.3232 0.0964 166 VAL A O 1284 C CB . VAL A 168 ? 1.1040 0.6989 1.0184 0.2001 0.3409 0.0908 166 VAL A CB 1285 C CG1 . VAL A 168 ? 1.1029 0.6792 0.9997 0.1645 0.3298 0.0741 166 VAL A CG1 1286 C CG2 . VAL A 168 ? 1.1163 0.7250 1.0229 0.2294 0.3583 0.0807 166 VAL A CG2 1287 N N . LEU A 169 ? 1.0526 0.6372 0.9890 0.1769 0.3209 0.1268 167 LEU A N 1288 C CA . LEU A 169 ? 1.0089 0.6039 0.9557 0.1450 0.3096 0.1359 167 LEU A CA 1289 C C . LEU A 169 ? 0.9724 0.6200 0.9491 0.1556 0.3050 0.1595 167 LEU A C 1290 O O . LEU A 169 ? 0.9316 0.6458 0.9387 0.1623 0.3048 0.1631 167 LEU A O 1291 C CB . LEU A 169 ? 0.9488 0.5793 0.9082 0.1127 0.3011 0.1202 167 LEU A CB 1292 C CG . LEU A 169 ? 0.8930 0.5544 0.8704 0.0835 0.2909 0.1259 167 LEU A CG 1293 C CD1 . LEU A 169 ? 0.8895 0.5567 0.8631 0.0542 0.2831 0.1031 167 LEU A CD1 1294 C CD2 . LEU A 169 ? 0.8055 0.5322 0.8149 0.0884 0.2862 0.1388 167 LEU A CD2 1295 N N . SER A 170 ? 1.0014 0.6148 0.9627 0.1526 0.3014 0.1751 168 SER A N 1296 C CA . SER A 170 ? 0.9734 0.6315 0.9556 0.1621 0.2947 0.1983 168 SER A CA 1297 C C . SER A 170 ? 0.9545 0.6147 0.9344 0.1243 0.2875 0.2050 168 SER A C 1298 O O . SER A 170 ? 1.0144 0.6119 0.9593 0.1041 0.2892 0.2054 168 SER A O 1299 C CB . SER A 170 ? 1.0412 0.6601 1.0010 0.2055 0.2959 0.2153 168 SER A CB 1300 O OG . SER A 170 ? 1.0322 0.7126 1.0173 0.2199 0.2869 0.2361 168 SER A OG 1301 N N . TYR A 171 ? 0.8813 0.6136 0.8946 0.1125 0.2811 0.2090 169 TYR A N 1302 C CA . TYR A 171 ? 0.8470 0.5969 0.8632 0.0780 0.2758 0.2109 169 TYR A CA 1303 C C . TYR A 171 ? 0.8123 0.6206 0.8492 0.0817 0.2684 0.2278 169 TYR A C 1304 O O . TYR A 171 ? 0.7759 0.6374 0.8387 0.0922 0.2664 0.2270 169 TYR A O 1305 C CB . TYR A 171 ? 0.8012 0.5750 0.8309 0.0532 0.2748 0.1866 169 TYR A CB 1306 C CG . TYR A 171 ? 0.7896 0.5748 0.8183 0.0185 0.2728 0.1795 169 TYR A CG 1307 C CD1 . TYR A 171 ? 0.8457 0.5868 0.8463 -0.0029 0.2778 0.1851 169 TYR A CD1 1308 C CD2 . TYR A 171 ? 0.7393 0.5772 0.7902 0.0067 0.2673 0.1653 169 TYR A CD2 1309 C CE1 . TYR A 171 ? 0.8106 0.5750 0.8125 -0.0392 0.2792 0.1758 169 TYR A CE1 1310 C CE2 . TYR A 171 ? 0.7214 0.5827 0.7756 -0.0209 0.2670 0.1549 169 TYR A CE2 1311 C CZ . TYR A 171 ? 0.7468 0.5787 0.7802 -0.0459 0.2740 0.1595 169 TYR A CZ 1312 O OH . TYR A 171 ? 0.7395 0.6073 0.7786 -0.0774 0.2768 0.1467 169 TYR A OH 1313 N N . ASP A 172 ? 0.8431 0.6389 0.8629 0.0679 0.2652 0.2423 170 ASP A N 1314 C CA . ASP A 172 ? 0.8373 0.6771 0.8654 0.0745 0.2565 0.2619 170 ASP A CA 1315 C C . ASP A 172 ? 0.8222 0.6712 0.8394 0.0401 0.2548 0.2649 170 ASP A C 1316 O O . ASP A 172 ? 0.8571 0.6656 0.8504 0.0150 0.2612 0.2600 170 ASP A O 1317 C CB . ASP A 172 ? 0.9105 0.7172 0.9161 0.1118 0.2525 0.2849 170 ASP A CB 1318 C CG . ASP A 172 ? 0.9415 0.7931 0.9496 0.1203 0.2400 0.3067 170 ASP A CG 1319 O OD1 . ASP A 172 ? 0.9352 0.8641 0.9777 0.1125 0.2351 0.3022 170 ASP A OD1 1320 O OD2 . ASP A 172 ? 1.0321 0.8359 1.0006 0.1333 0.2346 0.3284 170 ASP A OD2 1321 N N . SER A 173 ? 0.7774 0.6840 0.8107 0.0360 0.2473 0.2709 171 SER A N 1322 C CA . SER A 173 ? 0.7682 0.6920 0.7915 0.0047 0.2469 0.2704 171 SER A CA 1323 C C . SER A 173 ? 0.8343 0.7103 0.8147 -0.0035 0.2477 0.2915 171 SER A C 1324 O O . SER A 173 ? 0.8516 0.7255 0.8149 -0.0362 0.2537 0.2879 171 SER A O 1325 C CB . SER A 173 ? 0.7257 0.7136 0.7666 0.0018 0.2382 0.2722 171 SER A CB 1326 O OG . SER A 173 ? 0.7440 0.7485 0.7792 0.0223 0.2277 0.2961 171 SER A OG 1327 N N . ASN A 174 ? 0.8861 0.7222 0.8445 0.0276 0.2424 0.3130 172 ASN A N 1328 C CA . ASN A 174 ? 0.9757 0.7503 0.8786 0.0265 0.2404 0.3384 172 ASN A CA 1329 C C . ASN A 174 ? 1.0523 0.7285 0.9128 0.0318 0.2489 0.3413 172 ASN A C 1330 O O . ASN A 174 ? 1.1350 0.7449 0.9484 0.0592 0.2432 0.3650 172 ASN A O 1331 C CB . ASN A 174 ? 1.0029 0.8017 0.8997 0.0642 0.2230 0.3645 172 ASN A CB 1332 C CG . ASN A 174 ? 0.9479 0.8419 0.8811 0.0539 0.2140 0.3604 172 ASN A CG 1333 O OD1 . ASN A 174 ? 0.9388 0.8936 0.9056 0.0800 0.2037 0.3615 172 ASN A OD1 1334 N ND2 . ASN A 174 ? 0.9600 0.8691 0.8841 0.0133 0.2191 0.3534 172 ASN A ND2 1335 N N . MET A 175 ? 1.0408 0.7051 0.9135 0.0065 0.2612 0.3159 173 MET A N 1336 C CA . MET A 175 ? 1.1225 0.6933 0.9537 0.0026 0.2707 0.3122 173 MET A CA 1337 C C . MET A 175 ? 1.2251 0.7167 0.9879 -0.0341 0.2785 0.3264 173 MET A C 1338 O O . MET A 175 ? 1.2250 0.7490 0.9873 -0.0792 0.2852 0.3211 173 MET A O 1339 C CB . MET A 175 ? 1.0798 0.6714 0.9428 -0.0202 0.2797 0.2787 173 MET A CB 1340 C CG . MET A 175 ? 1.0298 0.6696 0.9413 0.0142 0.2750 0.2651 173 MET A CG 1341 S SD . MET A 175 ? 1.1375 0.7018 1.0261 0.0458 0.2801 0.2582 173 MET A SD 1342 C CE . MET A 175 ? 1.2573 0.7293 1.0816 0.0787 0.2765 0.2915 173 MET A CE 1343 N N . ARG A 176 ? 1.3365 0.7195 1.0358 -0.0138 0.2787 0.3437 174 ARG A N 1344 C CA . ARG A 176 ? 1.4567 0.7343 1.0722 -0.0533 0.2887 0.3569 174 ARG A CA 1345 C C . ARG A 176 ? 1.5027 0.7097 1.0935 -0.0793 0.3025 0.3346 174 ARG A C 1346 O O . ARG A 176 ? 1.6328 0.7118 1.1412 -0.0861 0.3085 0.3459 174 ARG A O 1347 C CB . ARG A 176 ? 1.5760 0.7608 1.1173 -0.0128 0.2776 0.3950 174 ARG A CB 1348 C CG . ARG A 176 ? 1.5822 0.8182 1.1208 -0.0117 0.2664 0.4191 174 ARG A CG 1349 C CD . ARG A 176 ? 1.7626 0.8749 1.1958 0.0032 0.2596 0.4573 174 ARG A CD 1350 N NE . ARG A 176 ? 1.7614 0.9231 1.1871 0.0104 0.2454 0.4820 174 ARG A NE 1351 C CZ . ARG A 176 ? 1.9049 0.9765 1.2402 0.0275 0.2346 0.5187 174 ARG A CZ 1352 N NH1 . ARG A 176 ? 2.0783 0.9942 1.3172 0.0402 0.2373 0.5360 174 ARG A NH1 1353 N NH2 . ARG A 176 ? 1.8907 1.0203 1.2239 0.0322 0.2203 0.5383 174 ARG A NH2 1354 N N . SER A 177 ? 1.4104 0.6992 1.0689 -0.0926 0.3060 0.3021 175 SER A N 1355 C CA . SER A 177 ? 1.4404 0.6908 1.0883 -0.1240 0.3172 0.2745 175 SER A CA 1356 C C . SER A 177 ? 1.3554 0.7067 1.0573 -0.1753 0.3236 0.2436 175 SER A C 1357 O O . SER A 177 ? 1.2614 0.7126 1.0150 -0.1761 0.3192 0.2411 175 SER A O 1358 C CB . SER A 177 ? 1.4196 0.6616 1.0909 -0.0726 0.3117 0.2631 175 SER A CB 1359 O OG . SER A 177 ? 1.4416 0.6728 1.1153 -0.1041 0.3198 0.2317 175 SER A OG 1360 N N . GLY A 178 ? 1.3900 0.7136 1.0761 -0.2163 0.3333 0.2185 176 GLY A N 1361 C CA . GLY A 178 ? 1.3289 0.7508 1.0630 -0.2639 0.3384 0.1856 176 GLY A CA 1362 C C . GLY A 178 ? 1.2313 0.7376 1.0355 -0.2321 0.3274 0.1606 176 GLY A C 1363 O O . GLY A 178 ? 1.1767 0.7752 1.0273 -0.2555 0.3265 0.1328 176 GLY A O 1364 N N . LYS A 179 ? 1.2230 0.6979 1.0312 -0.1765 0.3189 0.1705 177 LYS A N 1365 C CA . LYS A 179 ? 1.1486 0.6835 1.0080 -0.1461 0.3097 0.1500 177 LYS A CA 1366 C C . LYS A 179 ? 1.1386 0.6515 1.0028 -0.0858 0.3035 0.1678 177 LYS A C 1367 O O . LYS A 179 ? 1.2040 0.6538 1.0324 -0.0625 0.3047 0.1935 177 LYS A O 1368 C CB . LYS A 179 ? 1.1868 0.6945 1.0307 -0.1717 0.3130 0.1212 177 LYS A CB 1369 C CG . LYS A 179 ? 1.1137 0.7034 1.0087 -0.1593 0.3026 0.0938 177 LYS A CG 1370 C CD . LYS A 179 ? 1.1761 0.7628 1.0575 -0.2017 0.3044 0.0621 177 LYS A CD 1371 C CE . LYS A 179 ? 1.1453 0.7791 1.0564 -0.1777 0.2918 0.0385 177 LYS A CE 1372 N NZ . LYS A 179 ? 1.2286 0.8484 1.1176 -0.2168 0.2920 0.0084 177 LYS A NZ 1373 N N . PHE A 180 ? 1.0686 0.6371 0.9746 -0.0604 0.2967 0.1535 178 PHE A N 1374 C CA . PHE A 180 ? 1.0613 0.6206 0.9745 -0.0092 0.2941 0.1640 178 PHE A CA 1375 C C . PHE A 180 ? 1.1521 0.6134 1.0154 0.0075 0.3013 0.1659 178 PHE A C 1376 O O . PHE A 180 ? 1.2207 0.6232 1.0468 -0.0231 0.3071 0.1511 178 PHE A O 1377 C CB . PHE A 180 ? 0.9938 0.6151 0.9459 0.0056 0.2884 0.1456 178 PHE A CB 1378 C CG . PHE A 180 ? 0.9998 0.6129 0.9443 -0.0151 0.2880 0.1169 178 PHE A CG 1379 C CD1 . PHE A 180 ? 1.0487 0.5943 0.9584 -0.0069 0.2939 0.1078 178 PHE A CD1 1380 C CD2 . PHE A 180 ? 0.9578 0.6337 0.9281 -0.0399 0.2805 0.0971 178 PHE A CD2 1381 C CE1 . PHE A 180 ? 1.0754 0.6171 0.9754 -0.0288 0.2917 0.0801 178 PHE A CE1 1382 C CE2 . PHE A 180 ? 0.9765 0.6564 0.9413 -0.0569 0.2766 0.0698 178 PHE A CE2 1383 C CZ . PHE A 180 ? 1.0320 0.6454 0.9614 -0.0542 0.2819 0.0615 178 PHE A CZ 1384 N N . GLN A 181 ? 1.1677 0.6147 1.0292 0.0565 0.3011 0.1822 179 GLN A N 1385 C CA . GLN A 181 ? 1.2624 0.6187 1.0770 0.0868 0.3080 0.1820 179 GLN A CA 1386 C C . GLN A 181 ? 1.2333 0.6115 1.0658 0.1084 0.3115 0.1606 179 GLN A C 1387 O O . GLN A 181 ? 1.1562 0.6091 1.0322 0.1332 0.3093 0.1621 179 GLN A O 1388 C CB . GLN A 181 ? 1.3104 0.6400 1.1085 0.1358 0.3055 0.2100 179 GLN A CB 1389 C CG . GLN A 181 ? 1.4296 0.6737 1.1684 0.1200 0.3049 0.2311 179 GLN A CG 1390 C CD . GLN A 181 ? 1.6093 0.7130 1.2668 0.1226 0.3135 0.2267 179 GLN A CD 1391 O OE1 . GLN A 181 ? 1.6688 0.7390 1.3152 0.1551 0.3189 0.2118 179 GLN A OE1 1392 N NE2 . GLN A 181 ? 1.6822 0.6969 1.2753 0.0864 0.3163 0.2392 179 GLN A NE2 1393 N N . SER A 182 ? 1.3008 0.6106 1.0934 0.0925 0.3177 0.1399 180 SER A N 1394 C CA . SER A 182 ? 1.3046 0.6125 1.0961 0.1140 0.3229 0.1189 180 SER A CA 1395 C C . SER A 182 ? 1.4202 0.6098 1.1443 0.1333 0.3330 0.1131 180 SER A C 1396 O O . SER A 182 ? 1.4919 0.5982 1.1641 0.0968 0.3355 0.1052 180 SER A O 1397 C CB . SER A 182 ? 1.2641 0.6102 1.0697 0.0739 0.3180 0.0925 180 SER A CB 1398 O OG . SER A 182 ? 1.3838 0.6542 1.1401 0.0372 0.3212 0.0745 180 SER A OG 1399 N N . LEU A 183 ? 1.4386 0.6231 1.1616 0.1895 0.3397 0.1150 181 LEU A N 1400 C CA . LEU A 183 ? 1.5605 0.6302 1.2173 0.2245 0.3493 0.1115 181 LEU A CA 1401 C C . LEU A 183 ? 1.5956 0.6310 1.2259 0.2297 0.3595 0.0807 181 LEU A C 1402 O O . LEU A 183 ? 1.5208 0.6361 1.1910 0.2283 0.3606 0.0667 181 LEU A O 1403 C CB . LEU A 183 ? 1.5775 0.6643 1.2462 0.2940 0.3501 0.1326 181 LEU A CB 1404 C CG . LEU A 183 ? 1.5544 0.6784 1.2458 0.2973 0.3381 0.1646 181 LEU A CG 1405 C CD1 . LEU A 183 ? 1.5595 0.7173 1.2671 0.3710 0.3365 0.1809 181 LEU A CD1 1406 C CD2 . LEU A 183 ? 1.6642 0.6759 1.2887 0.2629 0.3350 0.1770 181 LEU A CD2 1407 N N . GLY A 184 ? 1.7301 0.6343 1.2821 0.2337 0.3671 0.0707 182 GLY A N 1408 C CA . GLY A 184 ? 1.7972 0.6431 1.3063 0.2496 0.3789 0.0413 182 GLY A CA 1409 C C . GLY A 184 ? 1.7477 0.6349 1.2688 0.2003 0.3767 0.0135 182 GLY A C 1410 O O . GLY A 184 ? 1.7293 0.6269 1.2535 0.1393 0.3673 0.0081 182 GLY A O 1411 N N . ARG A 185 ? 1.7427 0.6552 1.2673 0.2297 0.3857 -0.0054 183 ARG A N 1412 C CA . ARG A 185 ? 1.7115 0.6654 1.2420 0.1940 0.3824 -0.0315 183 ARG A CA 1413 C C . ARG A 185 ? 1.6102 0.6546 1.1932 0.1438 0.3646 -0.0254 183 ARG A C 1414 O O . ARG A 185 ? 1.6199 0.6614 1.1884 0.0951 0.3554 -0.0454 183 ARG A O 1415 C CB . ARG A 185 ? 1.6736 0.6914 1.2270 0.2359 0.3933 -0.0400 183 ARG A CB 1416 C CG . ARG A 185 ? 1.6161 0.7243 1.2309 0.2793 0.3969 -0.0145 183 ARG A CG 1417 C CD . ARG A 185 ? 1.5836 0.7791 1.2281 0.2958 0.4064 -0.0230 183 ARG A CD 1418 N NE . ARG A 185 ? 1.6706 0.8134 1.2634 0.3156 0.4228 -0.0514 183 ARG A NE 1419 C CZ . ARG A 185 ? 1.6973 0.8234 1.2576 0.2834 0.4205 -0.0751 183 ARG A CZ 1420 N NH1 . ARG A 185 ? 1.6424 0.8049 1.2193 0.2342 0.4010 -0.0739 183 ARG A NH1 1421 N NH2 . ARG A 185 ? 1.8026 0.8781 1.3116 0.3039 0.4368 -0.1013 183 ARG A NH2 1422 N N . PHE A 186 ? 1.5186 0.6455 1.1613 0.1580 0.3594 0.0006 184 PHE A N 1423 C CA . PHE A 186 ? 1.4189 0.6413 1.1147 0.1241 0.3438 0.0057 184 PHE A CA 1424 C C . PHE A 186 ? 1.4289 0.6389 1.1218 0.0730 0.3332 0.0063 184 PHE A C 1425 O O . PHE A 186 ? 1.3583 0.6411 1.0869 0.0427 0.3199 0.0019 184 PHE A O 1426 C CB . PHE A 186 ? 1.3308 0.6395 1.0842 0.1520 0.3429 0.0308 184 PHE A CB 1427 C CG . PHE A 186 ? 1.2900 0.6422 1.0556 0.1859 0.3529 0.0266 184 PHE A CG 1428 C CD1 . PHE A 186 ? 1.2473 0.6399 1.0156 0.1702 0.3483 0.0122 184 PHE A CD1 1429 C CD2 . PHE A 186 ? 1.3079 0.6631 1.0787 0.2337 0.3670 0.0365 184 PHE A CD2 1430 C CE1 . PHE A 186 ? 1.2433 0.6714 1.0140 0.1945 0.3603 0.0089 184 PHE A CE1 1431 C CE2 . PHE A 186 ? 1.2964 0.7027 1.0795 0.2589 0.3796 0.0302 184 PHE A CE2 1432 C CZ . PHE A 186 ? 1.2577 0.6966 1.0379 0.2356 0.3777 0.0170 184 PHE A CZ 1433 N N . ARG A 187 ? 1.5272 0.6432 1.1730 0.0643 0.3399 0.0109 185 ARG A N 1434 C CA . ARG A 187 ? 1.5642 0.6594 1.1956 0.0063 0.3344 0.0087 185 ARG A CA 1435 C C . ARG A 187 ? 1.5441 0.6846 1.1827 -0.0419 0.3243 -0.0218 185 ARG A C 1436 O O . ARG A 187 ? 1.5811 0.7046 1.1960 -0.0384 0.3245 -0.0453 185 ARG A O 1437 C CB . ARG A 187 ? 1.7090 0.6650 1.2610 -0.0045 0.3455 0.0107 185 ARG A CB 1438 C CG . ARG A 187 ? 1.7710 0.6899 1.3142 0.0200 0.3484 0.0452 185 ARG A CG 1439 C CD . ARG A 187 ? 1.9613 0.7211 1.4083 0.0090 0.3584 0.0477 185 ARG A CD 1440 N NE . ARG A 187 ? 2.0253 0.7497 1.4537 0.0018 0.3576 0.0790 185 ARG A NE 1441 C CZ . ARG A 187 ? 2.1977 0.7770 1.5343 -0.0136 0.3649 0.0883 185 ARG A CZ 1442 N NH1 . ARG A 187 ? 2.3262 0.7783 1.5810 -0.0239 0.3743 0.0671 185 ARG A NH1 1443 N NH2 . ARG A 187 ? 2.2280 0.7806 1.5457 -0.0200 0.3631 0.1191 185 ARG A NH2 1444 N N . ASN A 188 ? 1.4926 0.6970 1.1639 -0.0848 0.3149 -0.0219 186 ASN A N 1445 C CA . ASN A 188 ? 1.4840 0.7433 1.1651 -0.1346 0.3033 -0.0520 186 ASN A CA 1446 C C . ASN A 188 ? 1.4008 0.7580 1.1268 -0.1133 0.2874 -0.0638 186 ASN A C 1447 O O . ASN A 188 ? 1.3770 0.8071 1.1255 -0.1433 0.2725 -0.0853 186 ASN A O 1448 C CB . ASN A 188 ? 1.6003 0.7673 1.2122 -0.1701 0.3094 -0.0790 186 ASN A CB 1449 C CG . ASN A 188 ? 1.7226 0.7690 1.2710 -0.1954 0.3252 -0.0680 186 ASN A CG 1450 O OD1 . ASN A 188 ? 1.7158 0.7712 1.2764 -0.2123 0.3280 -0.0472 186 ASN A OD1 1451 N ND2 . ASN A 188 ? 1.8428 0.7671 1.3144 -0.1981 0.3356 -0.0821 186 ASN A ND2 1452 N N . ARG A 189 ? 1.3653 0.7244 1.1004 -0.0610 0.2906 -0.0499 187 ARG A N 1453 C CA . ARG A 189 ? 1.3076 0.7339 1.0654 -0.0397 0.2780 -0.0585 187 ARG A CA 1454 C C . ARG A 189 ? 1.2234 0.7202 1.0315 -0.0138 0.2728 -0.0353 187 ARG A C 1455 O O . ARG A 189 ? 1.1807 0.7498 1.0181 -0.0183 0.2563 -0.0412 187 ARG A O 1456 C CB . ARG A 189 ? 1.3549 0.7272 1.0734 -0.0086 0.2883 -0.0653 187 ARG A CB 1457 C CG . ARG A 189 ? 1.4262 0.7206 1.0854 -0.0348 0.2929 -0.0927 187 ARG A CG 1458 C CD . ARG A 189 ? 1.4389 0.6905 1.0568 -0.0055 0.3018 -0.1058 187 ARG A CD 1459 N NE . ARG A 189 ? 1.4300 0.6345 1.0387 0.0403 0.3228 -0.0877 187 ARG A NE 1460 C CZ . ARG A 189 ? 1.4047 0.6467 1.0311 0.0808 0.3302 -0.0769 187 ARG A CZ 1461 N NH1 . ARG A 189 ? 1.3530 0.6625 0.9969 0.0804 0.3188 -0.0797 187 ARG A NH1 1462 N NH2 . ARG A 189 ? 1.4308 0.6425 1.0534 0.1220 0.3492 -0.0638 187 ARG A NH2 1463 N N . VAL A 190 ? 1.2156 0.6896 1.0300 0.0151 0.2861 -0.0103 188 VAL A N 1464 C CA . VAL A 190 ? 1.1400 0.6749 0.9981 0.0334 0.2829 0.0125 188 VAL A CA 1465 C C . VAL A 190 ? 1.0932 0.6760 0.9816 0.0048 0.2727 0.0145 188 VAL A C 1466 O O . VAL A 190 ? 1.1235 0.6800 1.0013 -0.0248 0.2764 0.0120 188 VAL A O 1467 C CB . VAL A 190 ? 1.1492 0.6614 1.0118 0.0642 0.2974 0.0378 188 VAL A CB 1468 C CG1 . VAL A 190 ? 1.0839 0.6507 0.9871 0.0640 0.2926 0.0597 188 VAL A CG1 1469 C CG2 . VAL A 190 ? 1.1477 0.6618 1.0029 0.0981 0.3068 0.0379 188 VAL A CG2 1470 N N . ASP A 191 ? 1.0252 0.6742 0.9452 0.0131 0.2613 0.0179 189 ASP A N 1471 C CA . ASP A 191 ? 0.9791 0.6854 0.9303 -0.0076 0.2516 0.0160 189 ASP A CA 1472 C C . ASP A 191 ? 0.8979 0.6549 0.8750 0.0136 0.2435 0.0270 189 ASP A C 1473 O O . ASP A 191 ? 0.8893 0.6490 0.8566 0.0355 0.2379 0.0262 189 ASP A O 1474 C CB . ASP A 191 ? 1.0000 0.7382 0.9504 -0.0345 0.2389 -0.0140 189 ASP A CB 1475 C CG . ASP A 191 ? 0.9955 0.8009 0.9794 -0.0582 0.2325 -0.0208 189 ASP A CG 1476 O OD1 . ASP A 191 ? 1.0400 0.8952 1.0500 -0.0388 0.2244 -0.0148 189 ASP A OD1 1477 O OD2 . ASP A 191 ? 1.0356 0.8427 1.0156 -0.0985 0.2370 -0.0338 189 ASP A OD2 1478 N N . LEU A 192 ? 0.8507 0.6402 0.8527 0.0038 0.2438 0.0369 190 LEU A N 1479 C CA . LEU A 192 ? 0.8016 0.6256 0.8215 0.0210 0.2391 0.0495 190 LEU A CA 1480 C C . LEU A 192 ? 0.7695 0.6412 0.7977 0.0282 0.2217 0.0312 190 LEU A C 1481 O O . LEU A 192 ? 0.7547 0.6708 0.8008 0.0128 0.2150 0.0144 190 LEU A O 1482 C CB . LEU A 192 ? 0.7885 0.6237 0.8253 0.0088 0.2468 0.0672 190 LEU A CB 1483 C CG . LEU A 192 ? 0.7736 0.6208 0.8194 0.0244 0.2485 0.0878 190 LEU A CG 1484 C CD1 . LEU A 192 ? 0.7910 0.6134 0.8237 0.0459 0.2535 0.0975 190 LEU A CD1 1485 C CD2 . LEU A 192 ? 0.8054 0.6501 0.8579 0.0126 0.2566 0.1069 190 LEU A CD2 1486 N N . THR A 193 ? 0.7637 0.6252 0.7748 0.0525 0.2147 0.0342 191 THR A N 1487 C CA . THR A 193 ? 0.7595 0.6488 0.7644 0.0701 0.1954 0.0190 191 THR A CA 1488 C C . THR A 193 ? 0.7375 0.6352 0.7446 0.0812 0.1937 0.0297 191 THR A C 1489 O O . THR A 193 ? 0.7459 0.6643 0.7476 0.0992 0.1786 0.0173 191 THR A O 1490 C CB . THR A 193 ? 0.7921 0.6478 0.7571 0.0901 0.1859 0.0140 191 THR A CB 1491 O OG1 . THR A 193 ? 0.8247 0.6354 0.7680 0.0932 0.2006 0.0344 191 THR A OG1 1492 C CG2 . THR A 193 ? 0.8019 0.6585 0.7605 0.0808 0.1814 -0.0049 191 THR A CG2 1493 N N . GLY A 194 ? 0.7188 0.5995 0.7305 0.0724 0.2084 0.0514 192 GLY A N 1494 C CA . GLY A 194 ? 0.6895 0.5772 0.7021 0.0745 0.2089 0.0615 192 GLY A CA 1495 C C . GLY A 194 ? 0.6494 0.5776 0.6939 0.0585 0.2131 0.0609 192 GLY A C 1496 O O . GLY A 194 ? 0.6573 0.5973 0.7197 0.0408 0.2199 0.0598 192 GLY A O 1497 N N . ASP A 195 ? 0.6290 0.5715 0.6724 0.0629 0.2098 0.0607 193 ASP A N 1498 C CA . ASP A 195 ? 0.5938 0.5736 0.6608 0.0466 0.2158 0.0620 193 ASP A CA 1499 C C . ASP A 195 ? 0.5855 0.5494 0.6478 0.0367 0.2247 0.0859 193 ASP A C 1500 O O . ASP A 195 ? 0.6020 0.5536 0.6458 0.0422 0.2218 0.0889 193 ASP A O 1501 C CB . ASP A 195 ? 0.5907 0.6041 0.6587 0.0608 0.2063 0.0414 193 ASP A CB 1502 C CG . ASP A 195 ? 0.6004 0.6599 0.6916 0.0416 0.2150 0.0390 193 ASP A CG 1503 O OD1 . ASP A 195 ? 0.6008 0.6526 0.6972 0.0186 0.2265 0.0593 193 ASP A OD1 1504 O OD2 . ASP A 195 ? 0.6094 0.7149 0.7110 0.0517 0.2101 0.0163 193 ASP A OD2 1505 N N . ILE A 196 ? 0.5766 0.5385 0.6514 0.0222 0.2345 0.1020 194 ILE A N 1506 C CA . ILE A 196 ? 0.5675 0.5232 0.6410 0.0177 0.2404 0.1252 194 ILE A CA 1507 C C . ILE A 196 ? 0.5646 0.5436 0.6368 0.0087 0.2388 0.1273 194 ILE A C 1508 O O . ILE A 196 ? 0.5640 0.5444 0.6300 0.0049 0.2394 0.1406 194 ILE A O 1509 C CB . ILE A 196 ? 0.5775 0.5234 0.6587 0.0116 0.2484 0.1420 194 ILE A CB 1510 C CG1 . ILE A 196 ? 0.6031 0.5384 0.6829 0.0243 0.2522 0.1588 194 ILE A CG1 1511 C CG2 . ILE A 196 ? 0.5617 0.5261 0.6466 -0.0050 0.2509 0.1516 194 ILE A CG2 1512 C CD1 . ILE A 196 ? 0.5945 0.5514 0.6724 0.0223 0.2499 0.1648 194 ILE A CD1 1513 N N . SER A 197 ? 0.5736 0.5769 0.6512 0.0042 0.2370 0.1112 195 SER A N 1514 C CA . SER A 197 ? 0.5717 0.5978 0.6449 -0.0040 0.2373 0.1093 195 SER A CA 1515 C C . SER A 197 ? 0.5908 0.5962 0.6387 0.0090 0.2301 0.1006 195 SER A C 1516 O O . SER A 197 ? 0.6021 0.6086 0.6352 0.0007 0.2303 0.1034 195 SER A O 1517 C CB . SER A 197 ? 0.5670 0.6328 0.6532 -0.0110 0.2401 0.0902 195 SER A CB 1518 O OG . SER A 197 ? 0.5463 0.6235 0.6325 0.0102 0.2320 0.0639 195 SER A OG 1519 N N . ARG A 198 ? 0.6013 0.5807 0.6366 0.0279 0.2235 0.0896 196 ARG A N 1520 C CA . ARG A 198 ? 0.6287 0.5660 0.6245 0.0406 0.2165 0.0834 196 ARG A CA 1521 C C . ARG A 198 ? 0.6288 0.5331 0.6087 0.0323 0.2200 0.1004 196 ARG A C 1522 O O . ARG A 198 ? 0.6434 0.5016 0.5850 0.0406 0.2156 0.0969 196 ARG A O 1523 C CB . ARG A 198 ? 0.6523 0.5774 0.6335 0.0703 0.2049 0.0611 196 ARG A CB 1524 C CG . ARG A 198 ? 0.6251 0.6035 0.6312 0.0807 0.2023 0.0394 196 ARG A CG 1525 C CD . ARG A 198 ? 0.6580 0.6281 0.6447 0.1185 0.1869 0.0160 196 ARG A CD 1526 N NE . ARG A 198 ? 0.6840 0.7237 0.7010 0.1313 0.1848 -0.0092 196 ARG A NE 1527 C CZ . ARG A 198 ? 0.7270 0.8265 0.7815 0.1316 0.1822 -0.0237 196 ARG A CZ 1528 N NH1 . ARG A 198 ? 0.7249 0.8121 0.7863 0.1218 0.1806 -0.0152 196 ARG A NH1 1529 N NH2 . ARG A 198 ? 0.7375 0.9131 0.8212 0.1399 0.1822 -0.0493 196 ARG A NH2 1530 N N . ASN A 199 ? 0.6122 0.5410 0.6187 0.0171 0.2283 0.1186 197 ASN A N 1531 C CA . ASN A 199 ? 0.6291 0.5490 0.6298 0.0079 0.2343 0.1337 197 ASN A CA 1532 C C . ASN A 199 ? 0.6417 0.5329 0.6306 0.0206 0.2354 0.1304 197 ASN A C 1533 O O . ASN A 199 ? 0.6541 0.5265 0.6210 0.0133 0.2404 0.1359 197 ASN A O 1534 C CB . ASN A 199 ? 0.6576 0.5605 0.6250 -0.0096 0.2340 0.1350 197 ASN A CB 1535 C CG . ASN A 199 ? 0.6877 0.6171 0.6606 -0.0228 0.2321 0.1356 197 ASN A CG 1536 O OD1 . ASN A 199 ? 0.7305 0.7032 0.7336 -0.0310 0.2346 0.1489 197 ASN A OD1 1537 N ND2 . ASN A 199 ? 0.7305 0.6291 0.6682 -0.0219 0.2270 0.1210 197 ASN A ND2 1538 N N . ASP A 200 ? 0.6370 0.5291 0.6391 0.0352 0.2318 0.1205 198 ASP A N 1539 C CA . ASP A 200 ? 0.6611 0.5264 0.6484 0.0483 0.2304 0.1138 198 ASP A CA 1540 C C . ASP A 200 ? 0.6499 0.5267 0.6634 0.0504 0.2367 0.1164 198 ASP A C 1541 O O . ASP A 200 ? 0.6524 0.5441 0.6843 0.0498 0.2339 0.1081 198 ASP A O 1542 C CB . ASP A 200 ? 0.6946 0.5459 0.6629 0.0663 0.2161 0.0937 198 ASP A CB 1543 C CG . ASP A 200 ? 0.7538 0.5722 0.6943 0.0810 0.2106 0.0866 198 ASP A CG 1544 O OD1 . ASP A 200 ? 0.7136 0.5320 0.6641 0.0771 0.2188 0.0915 198 ASP A OD1 1545 O OD2 . ASP A 200 ? 0.8229 0.6116 0.7260 0.0992 0.1973 0.0758 198 ASP A OD2 1546 N N . GLY A 201 ? 0.6475 0.5155 0.6578 0.0512 0.2466 0.1261 199 GLY A N 1547 C CA . GLY A 201 ? 0.6361 0.5038 0.6631 0.0572 0.2546 0.1296 199 GLY A CA 1548 C C . GLY A 201 ? 0.6511 0.4896 0.6587 0.0671 0.2547 0.1168 199 GLY A C 1549 O O . GLY A 201 ? 0.6565 0.4832 0.6681 0.0731 0.2625 0.1169 199 GLY A O 1550 N N . SER A 202 ? 0.6693 0.4906 0.6495 0.0709 0.2448 0.1053 200 SER A N 1551 C CA . SER A 202 ? 0.6997 0.4937 0.6538 0.0805 0.2416 0.0925 200 SER A CA 1552 C C . SER A 202 ? 0.7147 0.5103 0.6840 0.0796 0.2402 0.0806 200 SER A C 1553 O O . SER A 202 ? 0.6917 0.5092 0.6825 0.0714 0.2336 0.0738 200 SER A O 1554 C CB . SER A 202 ? 0.7190 0.4946 0.6385 0.0901 0.2248 0.0813 200 SER A CB 1555 O OG . SER A 202 ? 0.7457 0.5017 0.6374 0.0859 0.2271 0.0921 200 SER A OG 1556 N N . ILE A 203 ? 0.7477 0.5184 0.7008 0.0846 0.2481 0.0766 201 ILE A N 1557 C CA . ILE A 203 ? 0.7651 0.5221 0.7197 0.0799 0.2485 0.0636 201 ILE A CA 1558 C C . ILE A 203 ? 0.8096 0.5462 0.7316 0.0848 0.2407 0.0451 201 ILE A C 1559 O O . ILE A 203 ? 0.8283 0.5519 0.7206 0.0951 0.2386 0.0458 201 ILE A O 1560 C CB . ILE A 203 ? 0.7786 0.5137 0.7381 0.0837 0.2664 0.0737 201 ILE A CB 1561 C CG1 . ILE A 203 ? 0.7823 0.4999 0.7196 0.0994 0.2792 0.0746 201 ILE A CG1 1562 C CG2 . ILE A 203 ? 0.7565 0.5143 0.7438 0.0830 0.2717 0.0942 201 ILE A CG2 1563 C CD1 . ILE A 203 ? 0.7815 0.4813 0.7228 0.1139 0.2962 0.0814 201 ILE A CD1 1564 N N . LYS A 204 ? 0.8389 0.5692 0.7611 0.0733 0.2370 0.0287 202 LYS A N 1565 C CA . LYS A 204 ? 0.8783 0.5965 0.7713 0.0732 0.2264 0.0070 202 LYS A CA 1566 C C . LYS A 204 ? 0.9284 0.6043 0.8042 0.0639 0.2394 -0.0021 202 LYS A C 1567 O O . LYS A 204 ? 0.9322 0.5939 0.8206 0.0492 0.2481 0.0003 202 LYS A O 1568 C CB . LYS A 204 ? 0.8685 0.6326 0.7769 0.0636 0.2047 -0.0118 202 LYS A CB 1569 C CG . LYS A 204 ? 0.9289 0.6950 0.8185 0.0525 0.1930 -0.0384 202 LYS A CG 1570 C CD . LYS A 204 ? 0.9554 0.7829 0.8776 0.0306 0.1796 -0.0576 202 LYS A CD 1571 C CE . LYS A 204 ? 1.0232 0.8725 0.9292 0.0190 0.1624 -0.0877 202 LYS A CE 1572 N NZ . LYS A 204 ? 1.0632 0.9468 0.9917 -0.0238 0.1642 -0.1074 202 LYS A NZ 1573 N N . LEU A 205 ? 0.9795 0.6269 0.8176 0.0732 0.2410 -0.0123 203 LEU A N 1574 C CA . LEU A 205 ? 1.0350 0.6330 0.8446 0.0680 0.2530 -0.0256 203 LEU A CA 1575 C C . LEU A 205 ? 1.0768 0.6764 0.8607 0.0518 0.2354 -0.0537 203 LEU A C 1576 O O . LEU A 205 ? 1.0791 0.6929 0.8405 0.0622 0.2212 -0.0611 203 LEU A O 1577 C CB . LEU A 205 ? 1.0550 0.6243 0.8395 0.0913 0.2720 -0.0180 203 LEU A CB 1578 C CG . LEU A 205 ? 1.1384 0.6508 0.8943 0.0963 0.2902 -0.0289 203 LEU A CG 1579 C CD1 . LEU A 205 ? 1.1490 0.6351 0.9223 0.0918 0.2987 -0.0206 203 LEU A CD1 1580 C CD2 . LEU A 205 ? 1.1661 0.6720 0.9058 0.1227 0.3107 -0.0225 203 LEU A CD2 1581 N N . GLN A 206 ? 1.1219 0.7049 0.9043 0.0240 0.2359 -0.0693 204 GLN A N 1582 C CA . GLN A 206 ? 1.1584 0.7696 0.9317 -0.0023 0.2155 -0.0984 204 GLN A CA 1583 C C . GLN A 206 ? 1.2271 0.8016 0.9484 -0.0042 0.2126 -0.1212 204 GLN A C 1584 O O . GLN A 206 ? 1.2415 0.8501 0.9483 0.0038 0.1917 -0.1336 204 GLN A O 1585 C CB . GLN A 206 ? 1.1766 0.7938 0.9673 -0.0436 0.2174 -0.1085 204 GLN A CB 1586 C CG . GLN A 206 ? 1.1361 0.8331 0.9791 -0.0507 0.2057 -0.1029 204 GLN A CG 1587 C CD . GLN A 206 ? 1.1955 0.9221 1.0523 -0.1006 0.2037 -0.1221 204 GLN A CD 1588 O OE1 . GLN A 206 ? 1.2906 0.9540 1.1160 -0.1328 0.2177 -0.1293 204 GLN A OE1 1589 N NE2 . GLN A 206 ? 1.1562 0.9774 1.0559 -0.1079 0.1876 -0.1319 204 GLN A NE2 1590 N N . THR A 207 ? 1.2821 0.7833 0.9694 -0.0136 0.2320 -0.1279 205 THR A N 1591 C CA . THR A 207 ? 1.3563 0.8146 0.9875 -0.0168 0.2320 -0.1520 205 THR A CA 1592 C C . THR A 207 ? 1.3843 0.7814 0.9845 0.0162 0.2575 -0.1414 205 THR A C 1593 O O . THR A 207 ? 1.4340 0.7634 1.0143 0.0184 0.2787 -0.1416 205 THR A O 1594 C CB . THR A 207 ? 1.4303 0.8513 1.0340 -0.0619 0.2314 -0.1800 205 THR A CB 1595 O OG1 . THR A 207 ? 1.4729 0.8566 1.0906 -0.0790 0.2473 -0.1676 205 THR A OG1 1596 C CG2 . THR A 207 ? 1.4092 0.9118 1.0305 -0.0935 0.2015 -0.2038 205 THR A CG2 1597 N N . VAL A 208 ? 1.3585 0.7802 0.9506 0.0427 0.2552 -0.1328 206 VAL A N 1598 C CA . VAL A 208 ? 1.3698 0.7604 0.9427 0.0737 0.2808 -0.1212 206 VAL A CA 1599 C C . VAL A 208 ? 1.4555 0.7837 0.9677 0.0751 0.2942 -0.1460 206 VAL A C 1600 O O . VAL A 208 ? 1.4941 0.8175 0.9662 0.0597 0.2790 -0.1689 206 VAL A O 1601 C CB . VAL A 208 ? 1.3258 0.7580 0.8995 0.0922 0.2764 -0.1046 206 VAL A CB 1602 C CG1 . VAL A 208 ? 1.3638 0.7746 0.9144 0.1159 0.3056 -0.0981 206 VAL A CG1 1603 C CG2 . VAL A 208 ? 1.2527 0.7344 0.8808 0.0942 0.2677 -0.0800 206 VAL A CG2 1604 N N . LYS A 209 ? 1.4896 0.7719 0.9942 0.0972 0.3221 -0.1421 207 LYS A N 1605 C CA . LYS A 209 ? 1.5859 0.8014 1.0311 0.1072 0.3406 -0.1658 207 LYS A CA 1606 C C . LYS A 209 ? 1.5850 0.8153 1.0244 0.1442 0.3661 -0.1571 207 LYS A C 1607 O O . LYS A 209 ? 1.5226 0.8024 1.0081 0.1621 0.3742 -0.1316 207 LYS A O 1608 C CB . LYS A 209 ? 1.6498 0.7872 1.0795 0.1059 0.3532 -0.1738 207 LYS A CB 1609 C CG . LYS A 209 ? 1.6593 0.7904 1.1026 0.0625 0.3329 -0.1771 207 LYS A CG 1610 C CD . LYS A 209 ? 1.7714 0.7994 1.1726 0.0526 0.3459 -0.1887 207 LYS A CD 1611 C CE . LYS A 209 ? 1.7827 0.8097 1.1957 0.0004 0.3293 -0.1911 207 LYS A CE 1612 N NZ . LYS A 209 ? 1.9167 0.8239 1.2653 -0.0228 0.3409 -0.2077 207 LYS A NZ 1613 N N . GLU A 210 ? 1.6563 0.8472 1.0368 0.1520 0.3796 -0.1809 208 GLU A N 1614 C CA . GLU A 210 ? 1.6646 0.8784 1.0313 0.1807 0.4057 -0.1784 208 GLU A CA 1615 C C . GLU A 210 ? 1.6289 0.8671 1.0424 0.2165 0.4306 -0.1603 208 GLU A C 1616 O O . GLU A 210 ? 1.5933 0.8909 1.0271 0.2312 0.4470 -0.1471 208 GLU A O 1617 C CB . GLU A 210 ? 1.7705 0.9267 1.0627 0.1867 0.4214 -0.2114 208 GLU A CB 1618 C CG . GLU A 210 ? 1.8197 0.9716 1.0602 0.1556 0.3978 -0.2280 208 GLU A CG 1619 C CD . GLU A 210 ? 1.9325 1.0468 1.0978 0.1641 0.4173 -0.2554 208 GLU A CD 1620 O OE1 . GLU A 210 ? 2.0272 1.0846 1.1656 0.1847 0.4419 -0.2760 208 GLU A OE1 1621 O OE2 . GLU A 210 ? 1.9461 1.0826 1.0729 0.1521 0.4078 -0.2567 208 GLU A OE2 1622 N N . SER A 211 ? 1.6443 0.8375 1.0715 0.2280 0.4321 -0.1598 209 SER A N 1623 C CA . SER A 211 ? 1.6351 0.8430 1.0987 0.2705 0.4530 -0.1458 209 SER A CA 1624 C C . SER A 211 ? 1.5277 0.8119 1.0631 0.2670 0.4428 -0.1123 209 SER A C 1625 O O . SER A 211 ? 1.5089 0.8290 1.0827 0.3003 0.4566 -0.0979 209 SER A O 1626 C CB . SER A 211 ? 1.7182 0.8294 1.1523 0.2883 0.4572 -0.1568 209 SER A CB 1627 O OG . SER A 211 ? 1.7359 0.7984 1.1574 0.2451 0.4330 -0.1584 209 SER A OG 1628 N N . ASP A 212 ? 1.4615 0.7735 1.0132 0.2290 0.4178 -0.1018 210 ASP A N 1629 C CA . ASP A 212 ? 1.3708 0.7470 0.9837 0.2217 0.4064 -0.0724 210 ASP A CA 1630 C C . ASP A 212 ? 1.3174 0.7694 0.9544 0.2320 0.4213 -0.0587 210 ASP A C 1631 O O . ASP A 212 ? 1.2530 0.7599 0.9397 0.2346 0.4204 -0.0363 210 ASP A O 1632 C CB . ASP A 212 ? 1.3387 0.7239 0.9586 0.1830 0.3763 -0.0687 210 ASP A CB 1633 C CG . ASP A 212 ? 1.3996 0.7309 1.0113 0.1639 0.3628 -0.0781 210 ASP A CG 1634 O OD1 . ASP A 212 ? 1.4456 0.7433 1.0667 0.1784 0.3717 -0.0708 210 ASP A OD1 1635 O OD2 . ASP A 212 ? 1.4420 0.7658 1.0345 0.1332 0.3429 -0.0930 210 ASP A OD2 1636 N N . GLN A 213 ? 1.3457 0.7987 0.9416 0.2332 0.4359 -0.0736 211 GLN A N 1637 C CA . GLN A 213 ? 1.3148 0.8353 0.9199 0.2345 0.4552 -0.0641 211 GLN A CA 1638 C C . GLN A 213 ? 1.2730 0.8568 0.9352 0.2609 0.4732 -0.0508 211 GLN A C 1639 O O . GLN A 213 ? 1.3129 0.8837 0.9851 0.2978 0.4859 -0.0593 211 GLN A O 1640 C CB . GLN A 213 ? 1.3876 0.8951 0.9362 0.2402 0.4779 -0.0863 211 GLN A CB 1641 C CG . GLN A 213 ? 1.4264 0.9111 0.9188 0.2084 0.4633 -0.0897 211 GLN A CG 1642 C CD . GLN A 213 ? 1.5132 0.9984 0.9490 0.2105 0.4903 -0.1064 211 GLN A CD 1643 O OE1 . GLN A 213 ? 1.5377 1.0636 0.9880 0.2322 0.5231 -0.1127 211 GLN A OE1 1644 N NE2 . GLN A 213 ? 1.5683 1.0140 0.9385 0.1893 0.4762 -0.1145 211 GLN A NE2 1645 N N . GLY A 214 ? 1.2052 0.8559 0.8993 0.2425 0.4734 -0.0308 212 GLY A N 1646 C CA . GLY A 214 ? 1.1648 0.8968 0.9156 0.2610 0.4894 -0.0190 212 GLY A CA 1647 C C . GLY A 214 ? 1.0926 0.8768 0.8780 0.2303 0.4775 0.0052 212 GLY A C 1648 O O . GLY A 214 ? 1.0767 0.8383 0.8345 0.1958 0.4631 0.0124 212 GLY A O 1649 N N . ILE A 215 ? 1.0559 0.9072 0.8982 0.2466 0.4824 0.0168 213 ILE A N 1650 C CA . ILE A 215 ? 1.0007 0.9086 0.8773 0.2177 0.4739 0.0376 213 ILE A CA 1651 C C . ILE A 215 ? 0.9685 0.8595 0.8795 0.2252 0.4489 0.0527 213 ILE A C 1652 O O . ILE A 215 ? 0.9712 0.8705 0.9110 0.2615 0.4489 0.0542 213 ILE A O 1653 C CB . ILE A 215 ? 0.9874 1.0054 0.9041 0.2217 0.4986 0.0385 213 ILE A CB 1654 C CG1 . ILE A 215 ? 1.0479 1.0876 0.9286 0.2138 0.5287 0.0210 213 ILE A CG1 1655 C CG2 . ILE A 215 ? 0.9395 1.0087 0.8798 0.1811 0.4906 0.0573 213 ILE A CG2 1656 C CD1 . ILE A 215 ? 1.0859 1.2488 1.0110 0.2234 0.5577 0.0147 213 ILE A CD1 1657 N N . TYR A 216 ? 0.9445 0.8077 0.8459 0.1925 0.4276 0.0637 214 TYR A N 1658 C CA . TYR A 216 ? 0.9091 0.7605 0.8392 0.1918 0.4052 0.0775 214 TYR A CA 1659 C C . TYR A 216 ? 0.8744 0.7925 0.8389 0.1717 0.4025 0.0945 214 TYR A C 1660 O O . TYR A 216 ? 0.8815 0.8122 0.8273 0.1393 0.4046 0.0975 214 TYR A O 1661 C CB . TYR A 216 ? 0.9069 0.6909 0.8066 0.1724 0.3831 0.0742 214 TYR A CB 1662 C CG . TYR A 216 ? 0.9485 0.6682 0.8147 0.1859 0.3826 0.0558 214 TYR A CG 1663 C CD1 . TYR A 216 ? 1.0183 0.7180 0.8424 0.1871 0.3950 0.0396 214 TYR A CD1 1664 C CD2 . TYR A 216 ? 0.9553 0.6314 0.8257 0.1929 0.3709 0.0539 214 TYR A CD2 1665 C CE1 . TYR A 216 ? 1.0823 0.7218 0.8712 0.1963 0.3941 0.0204 214 TYR A CE1 1666 C CE2 . TYR A 216 ? 1.0163 0.6291 0.8500 0.1980 0.3710 0.0349 214 TYR A CE2 1667 C CZ . TYR A 216 ? 1.0707 0.6664 0.8649 0.2005 0.3818 0.0175 214 TYR A CZ 1668 O OH . TYR A 216 ? 1.1671 0.6984 0.9203 0.2027 0.3815 -0.0038 214 TYR A OH 1669 N N . THR A 217 ? 0.8566 0.8104 0.8638 0.1903 0.3973 0.1055 215 THR A N 1670 C CA . THR A 217 ? 0.8243 0.8500 0.8670 0.1727 0.3941 0.1200 215 THR A CA 1671 C C . THR A 217 ? 0.8107 0.8148 0.8674 0.1668 0.3713 0.1336 215 THR A C 1672 O O . THR A 217 ? 0.8331 0.8109 0.8989 0.1929 0.3635 0.1378 215 THR A O 1673 C CB . THR A 217 ? 0.8227 0.9381 0.9083 0.2012 0.4084 0.1208 215 THR A CB 1674 O OG1 . THR A 217 ? 0.8608 0.9831 0.9334 0.2245 0.4307 0.1038 215 THR A OG1 1675 C CG2 . THR A 217 ? 0.7888 0.9937 0.9002 0.1674 0.4128 0.1279 215 THR A CG2 1676 N N . CYS A 218 ? 0.8040 0.8123 0.8543 0.1309 0.3618 0.1399 216 CYS A N 1677 C CA . CYS A 218 ? 0.7871 0.7823 0.8485 0.1212 0.3422 0.1506 216 CYS A CA 1678 C C . CYS A 218 ? 0.7559 0.8240 0.8507 0.1110 0.3402 0.1632 216 CYS A C 1679 O O . CYS A 218 ? 0.7482 0.8544 0.8396 0.0817 0.3463 0.1633 216 CYS A O 1680 C CB . CYS A 218 ? 0.7874 0.7333 0.8153 0.0941 0.3304 0.1463 216 CYS A CB 1681 S SG . CYS A 218 ? 0.8257 0.7692 0.8685 0.0815 0.3101 0.1559 216 CYS A SG 1682 N N . SER A 219 ? 0.7417 0.8239 0.8622 0.1328 0.3311 0.1738 217 SER A N 1683 C CA . SER A 219 ? 0.7157 0.8660 0.8664 0.1256 0.3238 0.1865 217 SER A CA 1684 C C . SER A 219 ? 0.6840 0.7998 0.8261 0.1077 0.3067 0.1942 217 SER A C 1685 O O . SER A 219 ? 0.6971 0.7710 0.8350 0.1242 0.2986 0.1996 217 SER A O 1686 C CB . SER A 219 ? 0.7350 0.9307 0.9156 0.1689 0.3240 0.1943 217 SER A CB 1687 O OG . SER A 219 ? 0.7768 1.0203 0.9702 0.1884 0.3419 0.1839 217 SER A OG 1688 N N . ILE A 220 ? 0.6525 0.7828 0.7863 0.0717 0.3031 0.1933 218 ILE A N 1689 C CA . ILE A 220 ? 0.6261 0.7274 0.7481 0.0532 0.2891 0.1962 218 ILE A CA 1690 C C . ILE A 220 ? 0.6090 0.7719 0.7486 0.0361 0.2823 0.2059 218 ILE A C 1691 O O . ILE A 220 ? 0.6093 0.8181 0.7507 0.0119 0.2879 0.2035 218 ILE A O 1692 C CB . ILE A 220 ? 0.6347 0.6829 0.7192 0.0306 0.2883 0.1839 218 ILE A CB 1693 C CG1 . ILE A 220 ? 0.6163 0.6314 0.6909 0.0246 0.2750 0.1820 218 ILE A CG1 1694 C CG2 . ILE A 220 ? 0.6106 0.6797 0.6773 -0.0014 0.2944 0.1817 218 ILE A CG2 1695 C CD1 . ILE A 220 ? 0.6610 0.6244 0.6982 0.0152 0.2710 0.1686 218 ILE A CD1 1696 N N . TYR A 221 ? 0.5983 0.7615 0.7465 0.0452 0.2707 0.2164 219 TYR A N 1697 C CA . TYR A 221 ? 0.5878 0.8147 0.7534 0.0365 0.2615 0.2275 219 TYR A CA 1698 C C . TYR A 221 ? 0.5801 0.7906 0.7269 0.0080 0.2519 0.2267 219 TYR A C 1699 O O . TYR A 221 ? 0.5822 0.7402 0.7128 0.0092 0.2484 0.2244 219 TYR A O 1700 C CB . TYR A 221 ? 0.6001 0.8446 0.7833 0.0740 0.2543 0.2435 219 TYR A CB 1701 C CG . TYR A 221 ? 0.6083 0.8783 0.8107 0.1113 0.2627 0.2438 219 TYR A CG 1702 C CD1 . TYR A 221 ? 0.6171 0.8232 0.8053 0.1325 0.2723 0.2368 219 TYR A CD1 1703 C CD2 . TYR A 221 ? 0.5983 0.9621 0.8331 0.1267 0.2606 0.2486 219 TYR A CD2 1704 C CE1 . TYR A 221 ? 0.6499 0.8749 0.8508 0.1697 0.2815 0.2343 219 TYR A CE1 1705 C CE2 . TYR A 221 ? 0.6392 1.0339 0.8933 0.1669 0.2694 0.2459 219 TYR A CE2 1706 C CZ . TYR A 221 ? 0.6832 1.0032 0.9179 0.1895 0.2806 0.2387 219 TYR A CZ 1707 O OH . TYR A 221 ? 0.7888 1.1354 1.0381 0.2328 0.2908 0.2334 219 TYR A OH 1708 N N . VAL A 222 ? 0.5799 0.8422 0.7291 -0.0195 0.2486 0.2265 220 VAL A N 1709 C CA . VAL A 222 ? 0.5889 0.8483 0.7202 -0.0447 0.2387 0.2262 220 VAL A CA 1710 C C . VAL A 222 ? 0.5993 0.9376 0.7537 -0.0434 0.2278 0.2396 220 VAL A C 1711 O O . VAL A 222 ? 0.6207 1.0227 0.7838 -0.0683 0.2268 0.2364 220 VAL A O 1712 C CB . VAL A 222 ? 0.6061 0.8419 0.7040 -0.0844 0.2429 0.2111 220 VAL A CB 1713 C CG1 . VAL A 222 ? 0.5892 0.8282 0.6667 -0.1100 0.2332 0.2088 220 VAL A CG1 1714 C CG2 . VAL A 222 ? 0.6108 0.7651 0.6795 -0.0782 0.2491 0.1988 220 VAL A CG2 1715 N N . GLY A 223 ? 0.6023 0.9356 0.7623 -0.0156 0.2189 0.2545 221 GLY A N 1716 C CA . GLY A 223 ? 0.6161 1.0197 0.7952 0.0005 0.2052 0.2709 221 GLY A CA 1717 C C . GLY A 223 ? 0.6257 1.0824 0.8386 0.0344 0.2085 0.2747 221 GLY A C 1718 O O . GLY A 223 ? 0.6270 1.0391 0.8411 0.0617 0.2187 0.2731 221 GLY A O 1719 N N . LYS A 224 ? 0.6334 1.1916 0.8736 0.0322 0.1999 0.2772 222 LYS A N 1720 C CA . LYS A 224 ? 0.6474 1.2816 0.9268 0.0665 0.2032 0.2772 222 LYS A CA 1721 C C . LYS A 224 ? 0.6353 1.2733 0.9223 0.0428 0.2251 0.2581 222 LYS A C 1722 O O . LYS A 224 ? 0.6408 1.3113 0.9520 0.0732 0.2356 0.2541 222 LYS A O 1723 C CB . LYS A 224 ? 0.6556 1.4187 0.9673 0.0674 0.1867 0.2817 222 LYS A CB 1724 C CG . LYS A 224 ? 0.7105 1.4757 1.0103 0.0995 0.1621 0.3037 222 LYS A CG 1725 C CD . LYS A 224 ? 0.7284 1.6307 1.0592 0.0974 0.1422 0.3061 222 LYS A CD 1726 C CE . LYS A 224 ? 0.7421 1.7468 1.1220 0.1499 0.1402 0.3052 222 LYS A CE 1727 N NZ . LYS A 224 ? 0.7429 1.8918 1.1555 0.1590 0.1154 0.3089 222 LYS A NZ 1728 N N . LEU A 225 ? 0.6331 1.2302 0.8917 -0.0095 0.2323 0.2463 223 LEU A N 1729 C CA . LEU A 225 ? 0.6388 1.2372 0.8906 -0.0431 0.2517 0.2298 223 LEU A CA 1730 C C . LEU A 225 ? 0.6371 1.1450 0.8690 -0.0240 0.2656 0.2248 223 LEU A C 1731 O O . LEU A 225 ? 0.6391 1.0540 0.8387 -0.0253 0.2631 0.2243 223 LEU A O 1732 C CB . LEU A 225 ? 0.6536 1.2272 0.8680 -0.1051 0.2525 0.2196 223 LEU A CB 1733 C CG . LEU A 225 ? 0.6657 1.3274 0.8915 -0.1376 0.2395 0.2200 223 LEU A CG 1734 C CD1 . LEU A 225 ? 0.7055 1.2997 0.8782 -0.1876 0.2371 0.2113 223 LEU A CD1 1735 C CD2 . LEU A 225 ? 0.6337 1.4156 0.8942 -0.1608 0.2484 0.2114 223 LEU A CD2 1736 N N . GLU A 226 ? 0.6448 1.1893 0.8969 -0.0070 0.2803 0.2190 224 GLU A N 1737 C CA . GLU A 226 ? 0.6621 1.1295 0.8952 0.0135 0.2933 0.2131 224 GLU A CA 1738 C C . GLU A 226 ? 0.6727 1.1224 0.8780 -0.0261 0.3114 0.1995 224 GLU A C 1739 O O . GLU A 226 ? 0.6683 1.1941 0.8846 -0.0572 0.3223 0.1931 224 GLU A O 1740 C CB . GLU A 226 ? 0.6758 1.1730 0.9392 0.0703 0.2977 0.2159 224 GLU A CB 1741 C CG . GLU A 226 ? 0.7429 1.3252 1.0324 0.0728 0.3167 0.2043 224 GLU A CG 1742 C CD . GLU A 226 ? 0.8283 1.3995 1.1292 0.1318 0.3254 0.2015 224 GLU A CD 1743 O OE1 . GLU A 226 ? 0.8575 1.3393 1.1263 0.1370 0.3349 0.1950 224 GLU A OE1 1744 O OE2 . GLU A 226 ? 0.8648 1.5169 1.2037 0.1751 0.3220 0.2043 224 GLU A OE2 1745 N N . SER A 227 ? 0.6899 1.0372 0.8541 -0.0274 0.3136 0.1951 225 SER A N 1746 C CA . SER A 227 ? 0.7241 1.0292 0.8482 -0.0547 0.3291 0.1847 225 SER A CA 1747 C C . SER A 227 ? 0.7334 0.9984 0.8544 -0.0176 0.3375 0.1802 225 SER A C 1748 O O . SER A 227 ? 0.7259 0.9418 0.8492 0.0152 0.3275 0.1829 225 SER A O 1749 C CB . SER A 227 ? 0.7474 0.9617 0.8159 -0.0843 0.3210 0.1818 225 SER A CB 1750 O OG . SER A 227 ? 0.7759 1.0165 0.8316 -0.1285 0.3183 0.1818 225 SER A OG 1751 N N . ARG A 228 ? 0.7628 1.0493 0.8742 -0.0277 0.3573 0.1720 226 ARG A N 1752 C CA . ARG A 228 ? 0.7768 1.0415 0.8873 0.0077 0.3683 0.1653 226 ARG A CA 1753 C C . ARG A 228 ? 0.8068 1.0073 0.8603 -0.0156 0.3806 0.1567 226 ARG A C 1754 O O . ARG A 228 ? 0.8318 1.0474 0.8578 -0.0587 0.3936 0.1543 226 ARG A O 1755 C CB . ARG A 228 ? 0.7797 1.1492 0.9391 0.0321 0.3827 0.1619 226 ARG A CB 1756 C CG . ARG A 228 ? 0.8292 1.1754 0.9949 0.0842 0.3896 0.1557 226 ARG A CG 1757 C CD . ARG A 228 ? 0.8749 1.3305 1.0873 0.1143 0.4046 0.1495 226 ARG A CD 1758 N NE . ARG A 228 ? 0.8975 1.4347 1.1579 0.1303 0.3900 0.1598 226 ARG A NE 1759 C CZ . ARG A 228 ? 0.9512 1.6180 1.2597 0.1414 0.3982 0.1550 226 ARG A CZ 1760 N NH1 . ARG A 228 ? 0.9677 1.7003 1.2845 0.1348 0.4246 0.1388 226 ARG A NH1 1761 N NH2 . ARG A 228 ? 0.9571 1.6948 1.3048 0.1588 0.3801 0.1653 226 ARG A NH2 1762 N N . LYS A 229 ? 0.8080 0.9335 0.8385 0.0109 0.3757 0.1523 227 LYS A N 1763 C CA . LYS A 229 ? 0.8432 0.9035 0.8162 -0.0009 0.3839 0.1443 227 LYS A CA 1764 C C . LYS A 229 ? 0.8478 0.9138 0.8280 0.0325 0.3977 0.1344 227 LYS A C 1765 O O . LYS A 229 ? 0.8330 0.9261 0.8545 0.0696 0.3960 0.1338 227 LYS A O 1766 C CB . LYS A 229 ? 0.8483 0.8157 0.7817 0.0014 0.3624 0.1443 227 LYS A CB 1767 C CG . LYS A 229 ? 0.9161 0.8131 0.7758 -0.0216 0.3642 0.1410 227 LYS A CG 1768 C CD . LYS A 229 ? 0.9587 0.7783 0.7875 -0.0001 0.3427 0.1358 227 LYS A CD 1769 C CE . LYS A 229 ? 1.0573 0.8000 0.8041 -0.0171 0.3390 0.1350 227 LYS A CE 1770 N NZ . LYS A 229 ? 1.1075 0.7917 0.8254 0.0107 0.3191 0.1264 227 LYS A NZ 1771 N N . THR A 230 ? 0.8864 0.9175 0.8173 0.0196 0.4110 0.1264 228 THR A N 1772 C CA . THR A 230 ? 0.9112 0.9393 0.8377 0.0486 0.4258 0.1138 228 THR A CA 1773 C C . THR A 230 ? 0.9529 0.8962 0.8098 0.0409 0.4241 0.1067 228 THR A C 1774 O O . THR A 230 ? 0.9888 0.9021 0.7922 0.0062 0.4284 0.1100 228 THR A O 1775 C CB . THR A 230 ? 0.9270 1.0486 0.8781 0.0456 0.4553 0.1071 228 THR A CB 1776 O OG1 . THR A 230 ? 0.9081 1.1197 0.9170 0.0417 0.4541 0.1148 228 THR A OG1 1777 C CG2 . THR A 230 ? 0.9418 1.0723 0.9072 0.0926 0.4680 0.0930 228 THR A CG2 1778 N N . ILE A 231 ? 0.9537 0.8546 0.8059 0.0731 0.4171 0.0968 229 ILE A N 1779 C CA . ILE A 231 ? 0.9947 0.8193 0.7845 0.0715 0.4097 0.0882 229 ILE A CA 1780 C C . ILE A 231 ? 1.0185 0.8351 0.7962 0.0962 0.4252 0.0712 229 ILE A C 1781 O O . ILE A 231 ? 1.0025 0.8236 0.8135 0.1271 0.4246 0.0641 229 ILE A O 1782 C CB . ILE A 231 ? 0.9808 0.7513 0.7672 0.0797 0.3782 0.0892 229 ILE A CB 1783 C CG1 . ILE A 231 ? 0.9916 0.7520 0.7677 0.0560 0.3634 0.1024 229 ILE A CG1 1784 C CG2 . ILE A 231 ? 1.0246 0.7320 0.7573 0.0872 0.3677 0.0761 229 ILE A CG2 1785 C CD1 . ILE A 231 ? 0.9946 0.7244 0.7803 0.0667 0.3346 0.1018 229 ILE A CD1 1786 N N . VAL A 232 ? 1.0601 0.8562 0.7806 0.0809 0.4396 0.0648 230 VAL A N 1787 C CA . VAL A 232 ? 1.0967 0.8777 0.7912 0.1004 0.4555 0.0461 230 VAL A CA 1788 C C . VAL A 232 ? 1.1242 0.8247 0.7702 0.1067 0.4319 0.0372 230 VAL A C 1789 O O . VAL A 232 ? 1.1615 0.8169 0.7563 0.0881 0.4154 0.0432 230 VAL A O 1790 C CB . VAL A 232 ? 1.1442 0.9515 0.7974 0.0780 0.4866 0.0420 230 VAL A CB 1791 C CG1 . VAL A 232 ? 1.1894 0.9656 0.7999 0.0962 0.4999 0.0212 230 VAL A CG1 1792 C CG2 . VAL A 232 ? 1.1084 1.0187 0.8192 0.0750 0.5130 0.0440 230 VAL A CG2 1793 N N . LEU A 233 ? 1.1262 0.8083 0.7850 0.1339 0.4297 0.0217 231 LEU A N 1794 C CA . LEU A 233 ? 1.1468 0.7658 0.7706 0.1376 0.4058 0.0095 231 LEU A CA 1795 C C . LEU A 233 ? 1.2209 0.8079 0.7889 0.1441 0.4196 -0.0113 231 LEU A C 1796 O O . LEU A 233 ? 1.2483 0.8433 0.8258 0.1651 0.4415 -0.0255 231 LEU A O 1797 C CB . LEU A 233 ? 1.1118 0.7220 0.7810 0.1535 0.3916 0.0059 231 LEU A CB 1798 C CG . LEU A 233 ? 1.1232 0.6862 0.7697 0.1479 0.3636 -0.0064 231 LEU A CG 1799 C CD1 . LEU A 233 ? 1.1290 0.6860 0.7486 0.1315 0.3399 0.0017 231 LEU A CD1 1800 C CD2 . LEU A 233 ? 1.1017 0.6629 0.7944 0.1522 0.3525 -0.0051 231 LEU A CD2 1801 N N . HIS A 234 ? 1.2684 0.8155 0.7726 0.1292 0.4054 -0.0135 232 HIS A N 1802 C CA . HIS A 234 ? 1.3437 0.8543 0.7832 0.1317 0.4135 -0.0334 232 HIS A CA 1803 C C . HIS A 234 ? 1.3669 0.8328 0.7859 0.1359 0.3833 -0.0500 232 HIS A C 1804 O O . HIS A 234 ? 1.3685 0.8215 0.7772 0.1283 0.3515 -0.0439 232 HIS A O 1805 C CB . HIS A 234 ? 1.3940 0.8875 0.7615 0.1104 0.4187 -0.0243 232 HIS A CB 1806 C CG . HIS A 234 ? 1.4063 0.9464 0.7860 0.0937 0.4491 -0.0092 232 HIS A CG 1807 N ND1 . HIS A 234 ? 1.4650 0.9861 0.7892 0.0647 0.4503 0.0081 232 HIS A ND1 1808 C CD2 . HIS A 234 ? 1.4034 1.0104 0.8416 0.1004 0.4789 -0.0099 232 HIS A CD2 1809 C CE1 . HIS A 234 ? 1.4564 1.0340 0.8057 0.0466 0.4815 0.0162 232 HIS A CE1 1810 N NE2 . HIS A 234 ? 1.4143 1.0535 0.8376 0.0701 0.4984 0.0049 232 HIS A NE2 1811 N N . VAL A 235 ? 1.4015 0.8460 0.8124 0.1484 0.3940 -0.0733 233 VAL A N 1812 C CA . VAL A 235 ? 1.4328 0.8371 0.8199 0.1451 0.3689 -0.0942 233 VAL A CA 1813 C C . VAL A 235 ? 1.5260 0.8952 0.8320 0.1411 0.3712 -0.1134 233 VAL A C 1814 O O . VAL A 235 ? 1.5690 0.9362 0.8448 0.1478 0.4026 -0.1199 233 VAL A O 1815 C CB . VAL A 235 ? 1.4329 0.8184 0.8537 0.1560 0.3765 -0.1089 233 VAL A CB 1816 C CG1 . VAL A 235 ? 1.4541 0.8074 0.8589 0.1399 0.3474 -0.1281 233 VAL A CG1 1817 C CG2 . VAL A 235 ? 1.3576 0.7777 0.8513 0.1644 0.3812 -0.0876 233 VAL A CG2 1818 N N . VAL A 236 ? 1.5645 0.9135 0.8358 0.1306 0.3374 -0.1238 234 VAL A N 1819 C CA . VAL A 236 ? 1.6575 0.9743 0.8442 0.1256 0.3319 -0.1400 234 VAL A CA 1820 C C . VAL A 236 ? 1.7146 1.0099 0.8779 0.1167 0.3036 -0.1683 234 VAL A C 1821 O O . VAL A 236 ? 1.6767 0.9927 0.8748 0.1093 0.2720 -0.1693 234 VAL A O 1822 C CB . VAL A 236 ? 1.6705 0.9870 0.8105 0.1213 0.3149 -0.1186 234 VAL A CB 1823 C CG1 . VAL A 236 ? 1.6326 0.9688 0.7899 0.1196 0.3443 -0.0925 234 VAL A CG1 1824 C CG2 . VAL A 236 ? 1.6337 0.9657 0.7963 0.1221 0.2703 -0.1114 234 VAL A CG2 1825 N N . GLN A 237 ? 1.8229 1.0813 0.9253 0.1150 0.3171 -0.1935 235 GLN A N 1826 C CA . GLN A 237 ? 1.8976 1.1309 0.9680 0.1006 0.2951 -0.2260 235 GLN A CA 1827 C C . GLN A 237 ? 1.9660 1.1986 0.9657 0.0941 0.2631 -0.2323 235 GLN A C 1828 O O . GLN A 237 ? 2.0319 1.2411 0.9610 0.0984 0.2763 -0.2319 235 GLN A O 1829 C CB . GLN A 237 ? 1.9662 1.1493 1.0040 0.1036 0.3279 -0.2542 235 GLN A CB 1830 C CG . GLN A 237 ? 2.0447 1.1920 1.0520 0.0815 0.3089 -0.2900 235 GLN A CG 1831 C CD . GLN A 237 ? 2.1729 1.2548 1.1202 0.0864 0.3401 -0.3211 235 GLN A CD 1832 O OE1 . GLN A 237 ? 2.2364 1.3086 1.1375 0.1023 0.3660 -0.3226 235 GLN A OE1 1833 N NE2 . GLN A 237 ? 2.2094 1.2423 1.1514 0.0708 0.3392 -0.3475 235 GLN A NE2 1834 N N . ASP A 238 ? 1.9589 1.2217 0.9764 0.0843 0.2206 -0.2387 236 ASP A N 1835 C CA . ASP A 238 ? 2.0187 1.2903 0.9734 0.0834 0.1816 -0.2472 236 ASP A CA 1836 C C . ASP A 238 ? 2.0584 1.3412 1.0061 0.0598 0.1555 -0.2851 236 ASP A C 1837 O O . ASP A 238 ? 2.0206 1.3533 1.0245 0.0489 0.1280 -0.2914 236 ASP A O 1838 C CB . ASP A 238 ? 1.9714 1.2837 0.9497 0.0998 0.1485 -0.2201 236 ASP A CB 1839 C CG . ASP A 238 ? 2.0409 1.3534 0.9411 0.1109 0.1085 -0.2227 236 ASP A CG 1840 O OD1 . ASP A 238 ? 2.0835 1.3510 0.8970 0.1104 0.1187 -0.2271 236 ASP A OD1 1841 O OD2 . ASP A 238 ? 2.0356 1.3953 0.9588 0.1230 0.0664 -0.2206 236 ASP A OD2 1842 N N . TYR B 2 ? 1.3607 0.7927 1.6085 0.0790 0.2754 0.5614 2 TYR L N 1843 C CA . TYR B 2 ? 1.3407 0.7381 1.5807 0.0507 0.2641 0.4812 2 TYR L CA 1844 C C . TYR B 2 ? 1.2624 0.7291 1.4424 0.0356 0.2462 0.4481 2 TYR L C 1845 O O . TYR B 2 ? 1.2236 0.7565 1.3596 0.0580 0.2376 0.4499 2 TYR L O 1846 C CB . TYR B 2 ? 1.3564 0.7196 1.5983 0.0740 0.2629 0.4411 2 TYR L CB 1847 C CG . TYR B 2 ? 1.3606 0.6889 1.5860 0.0472 0.2551 0.3624 2 TYR L CG 1848 C CD1 . TYR B 2 ? 1.3227 0.6945 1.4912 0.0255 0.2386 0.3270 2 TYR L CD1 1849 C CD2 . TYR B 2 ? 1.4328 0.6863 1.6979 0.0458 0.2643 0.3236 2 TYR L CD2 1850 C CE1 . TYR B 2 ? 1.3533 0.6976 1.4964 0.0034 0.2302 0.2627 2 TYR L CE1 1851 C CE2 . TYR B 2 ? 1.4455 0.6760 1.6841 0.0224 0.2574 0.2508 2 TYR L CE2 1852 C CZ . TYR B 2 ? 1.4142 0.6916 1.5871 0.0015 0.2398 0.2242 2 TYR L CZ 1853 O OH . TYR B 2 ? 1.4378 0.6969 1.5734 -0.0199 0.2314 0.1591 2 TYR L OH 1854 N N . THR B 3 ? 1.2390 0.6891 1.4254 -0.0021 0.2391 0.4156 3 THR L N 1855 C CA . THR B 3 ? 1.1594 0.6642 1.2993 -0.0171 0.2201 0.3838 3 THR L CA 1856 C C . THR B 3 ? 1.1430 0.6075 1.2766 -0.0470 0.2043 0.3229 3 THR L C 1857 O O . THR B 3 ? 1.1880 0.5982 1.3661 -0.0698 0.2071 0.3088 3 THR L O 1858 C CB . THR B 3 ? 1.1410 0.7008 1.2922 -0.0295 0.2235 0.4198 3 THR L CB 1859 O OG1 . THR B 3 ? 1.1860 0.7696 1.3504 -0.0065 0.2432 0.4850 3 THR L OG1 1860 C CG2 . THR B 3 ? 1.0970 0.7280 1.2007 -0.0277 0.2059 0.3969 3 THR L CG2 1861 N N . LEU B 4 ? 1.0802 0.5735 1.1588 -0.0464 0.1872 0.2873 4 LEU L N 1862 C CA . LEU B 4 ? 1.0750 0.5440 1.1303 -0.0715 0.1677 0.2352 4 LEU L CA 1863 C C . LEU B 4 ? 1.0458 0.5414 1.1216 -0.0966 0.1521 0.2365 4 LEU L C 1864 O O . LEU B 4 ? 0.9984 0.5524 1.0719 -0.0911 0.1499 0.2612 4 LEU L O 1865 C CB . LEU B 4 ? 1.0454 0.5361 1.0353 -0.0620 0.1570 0.2075 4 LEU L CB 1866 C CG . LEU B 4 ? 1.0549 0.5225 1.0280 -0.0417 0.1730 0.1937 4 LEU L CG 1867 C CD1 . LEU B 4 ? 0.9844 0.4880 0.9052 -0.0325 0.1687 0.1802 4 LEU L CD1 1868 C CD2 . LEU B 4 ? 1.1186 0.5226 1.0949 -0.0555 0.1760 0.1517 4 LEU L CD2 1869 N N . THR B 5 ? 1.0664 0.5236 1.1663 -0.1235 0.1406 0.2040 5 THR L N 1870 C CA . THR B 5 ? 1.0439 0.5265 1.1801 -0.1495 0.1243 0.1998 5 THR L CA 1871 C C . THR B 5 ? 0.9777 0.5117 1.0688 -0.1471 0.0983 0.1872 5 THR L C 1872 O O . THR B 5 ? 0.9871 0.5114 1.0188 -0.1420 0.0819 0.1587 5 THR L O 1873 C CB . THR B 5 ? 1.0996 0.5354 1.2704 -0.1791 0.1107 0.1555 5 THR L CB 1874 O OG1 . THR B 5 ? 1.1491 0.5227 1.3589 -0.1781 0.1346 0.1567 5 THR L OG1 1875 C CG2 . THR B 5 ? 1.0926 0.5581 1.3298 -0.2067 0.1008 0.1588 5 THR L CG2 1876 N N . GLN B 6 ? 0.9284 0.5167 1.0523 -0.1505 0.0974 0.2105 6 GLN L N 1877 C CA . GLN B 6 ? 0.8768 0.5167 0.9754 -0.1449 0.0742 0.2016 6 GLN L CA 1878 C C . GLN B 6 ? 0.8618 0.5494 1.0243 -0.1619 0.0675 0.2070 6 GLN L C 1879 O O . GLN B 6 ? 0.8608 0.5685 1.0743 -0.1673 0.0939 0.2386 6 GLN L O 1880 C CB . GLN B 6 ? 0.8307 0.5077 0.8950 -0.1166 0.0882 0.2253 6 GLN L CB 1881 C CG . GLN B 6 ? 0.8014 0.4855 0.8104 -0.1051 0.0675 0.2039 6 GLN L CG 1882 C CD . GLN B 6 ? 0.7580 0.4807 0.7469 -0.0802 0.0814 0.2197 6 GLN L CD 1883 O OE1 . GLN B 6 ? 0.7166 0.4391 0.7031 -0.0665 0.1039 0.2389 6 GLN L OE1 1884 N NE2 . GLN B 6 ? 0.7599 0.5170 0.7394 -0.0730 0.0659 0.2095 6 GLN L NE2 1885 N N . PRO B 7 ? 0.8454 0.5544 1.0078 -0.1694 0.0330 0.1788 7 PRO L N 1886 C CA . PRO B 7 ? 0.8282 0.5907 1.0621 -0.1840 0.0267 0.1798 7 PRO L CA 1887 C C . PRO B 7 ? 0.7879 0.6160 1.0388 -0.1674 0.0497 0.2100 7 PRO L C 1888 O O . PRO B 7 ? 0.7621 0.6047 0.9643 -0.1427 0.0510 0.2150 7 PRO L O 1889 C CB . PRO B 7 ? 0.8242 0.5975 1.0439 -0.1858 -0.0203 0.1446 7 PRO L CB 1890 C CG . PRO B 7 ? 0.8273 0.5662 0.9592 -0.1663 -0.0312 0.1386 7 PRO L CG 1891 C CD . PRO B 7 ? 0.8500 0.5397 0.9501 -0.1634 -0.0004 0.1493 7 PRO L CD 1892 N N . PRO B 8 ? 0.7929 0.6644 1.1154 -0.1823 0.0698 0.2271 8 PRO L N 1893 C CA . PRO B 8 ? 0.7638 0.7045 1.0975 -0.1671 0.0973 0.2547 8 PRO L CA 1894 C C . PRO B 8 ? 0.7244 0.7161 1.0476 -0.1479 0.0740 0.2309 8 PRO L C 1895 O O . PRO B 8 ? 0.7045 0.7177 0.9848 -0.1229 0.0814 0.2359 8 PRO L O 1896 C CB . PRO B 8 ? 0.7856 0.7630 1.2064 -0.1939 0.1201 0.2704 8 PRO L CB 1897 C CG . PRO B 8 ? 0.8428 0.7521 1.2947 -0.2220 0.1144 0.2615 8 PRO L CG 1898 C CD . PRO B 8 ? 0.8337 0.6968 1.2333 -0.2159 0.0705 0.2195 8 PRO L CD 1899 N N . LEU B 9 ? 0.7233 0.7350 1.0939 -0.1595 0.0443 0.2031 9 LEU L N 1900 C CA . LEU B 9 ? 0.6856 0.7431 1.0651 -0.1409 0.0187 0.1802 9 LEU L CA 1901 C C . LEU B 9 ? 0.6967 0.7161 1.0592 -0.1415 -0.0317 0.1518 9 LEU L C 1902 O O . LEU B 9 ? 0.7227 0.7123 1.0999 -0.1631 -0.0506 0.1393 9 LEU L O 1903 C CB . LEU B 9 ? 0.6745 0.8165 1.1414 -0.1474 0.0321 0.1771 9 LEU L CB 1904 C CG . LEU B 9 ? 0.6542 0.8495 1.1571 -0.1281 0.0044 0.1482 9 LEU L CG 1905 C CD1 . LEU B 9 ? 0.6383 0.8353 1.0871 -0.0964 0.0053 0.1444 9 LEU L CD1 1906 C CD2 . LEU B 9 ? 0.6593 0.9446 1.2552 -0.1361 0.0268 0.1440 9 LEU L CD2 1907 N N . VAL B 10 ? 0.6838 0.7056 1.0145 -0.1169 -0.0531 0.1420 11 VAL L N 1908 C CA . VAL B 10 ? 0.7030 0.6981 1.0152 -0.1112 -0.1023 0.1233 11 VAL L CA 1909 C C . VAL B 10 ? 0.6864 0.7274 1.0364 -0.0869 -0.1210 0.1128 11 VAL L C 1910 O O . VAL B 10 ? 0.6757 0.7215 1.0053 -0.0667 -0.1064 0.1164 11 VAL L O 1911 C CB . VAL B 10 ? 0.7216 0.6435 0.9380 -0.1049 -0.1095 0.1286 11 VAL L CB 1912 C CG1 . VAL B 10 ? 0.7495 0.6485 0.9362 -0.0942 -0.1572 0.1189 11 VAL L CG1 1913 C CG2 . VAL B 10 ? 0.7424 0.6173 0.9295 -0.1268 -0.0963 0.1301 11 VAL L CG2 1914 N N . SER B 11 ? 0.6966 0.7734 1.1104 -0.0887 -0.1546 0.0961 12 SER L N 1915 C CA . SER B 11 ? 0.6855 0.8045 1.1493 -0.0628 -0.1774 0.0837 12 SER L CA 1916 C C . SER B 11 ? 0.7211 0.7872 1.1332 -0.0443 -0.2233 0.0866 12 SER L C 1917 O O . SER B 11 ? 0.7584 0.7656 1.0968 -0.0540 -0.2407 0.0948 12 SER L O 1918 C CB . SER B 11 ? 0.6868 0.8796 1.2575 -0.0697 -0.1920 0.0644 12 SER L CB 1919 O OG . SER B 11 ? 0.6814 0.9279 1.3033 -0.0873 -0.1433 0.0671 12 SER L OG 1920 N N . VAL B 12 ? 0.7152 0.8051 1.1702 -0.0168 -0.2408 0.0799 13 VAL L N 1921 C CA . VAL B 12 ? 0.7505 0.7911 1.1682 0.0054 -0.2827 0.0905 13 VAL L CA 1922 C C . VAL B 12 ? 0.7344 0.8093 1.2301 0.0373 -0.2978 0.0795 13 VAL L C 1923 O O . VAL B 12 ? 0.6980 0.8055 1.2328 0.0471 -0.2634 0.0657 13 VAL L O 1924 C CB . VAL B 12 ? 0.7616 0.7270 1.0788 0.0049 -0.2640 0.1113 13 VAL L CB 1925 C CG1 . VAL B 12 ? 0.7950 0.7353 1.1185 0.0325 -0.2725 0.1180 13 VAL L CG1 1926 C CG2 . VAL B 12 ? 0.8121 0.7209 1.0424 -0.0098 -0.2880 0.1254 13 VAL L CG2 1927 N N . ALA B 13 ? 0.7722 0.8429 1.2921 0.0552 -0.3513 0.0835 14 ALA L N 1928 C CA . ALA B 13 ? 0.7751 0.8645 1.3714 0.0906 -0.3724 0.0762 14 ALA L CA 1929 C C . ALA B 13 ? 0.8007 0.8141 1.3400 0.1061 -0.3660 0.0975 14 ALA L C 1930 O O . ALA B 13 ? 0.8216 0.7705 1.2603 0.0910 -0.3576 0.1218 14 ALA L O 1931 C CB . ALA B 13 ? 0.8158 0.9237 1.4570 0.1082 -0.4365 0.0791 14 ALA L CB 1932 N N . LEU B 14 ? 0.8014 0.8244 1.4136 0.1352 -0.3672 0.0850 15 LEU L N 1933 C CA . LEU B 14 ? 0.8320 0.7801 1.4111 0.1499 -0.3635 0.1037 15 LEU L CA 1934 C C . LEU B 14 ? 0.9093 0.7813 1.4099 0.1536 -0.4058 0.1509 15 LEU L C 1935 O O . LEU B 14 ? 0.9555 0.8385 1.4759 0.1686 -0.4564 0.1636 15 LEU L O 1936 C CB . LEU B 14 ? 0.8309 0.7986 1.5195 0.1840 -0.3673 0.0788 15 LEU L CB 1937 C CG . LEU B 14 ? 0.7613 0.7999 1.5139 0.1831 -0.3188 0.0290 15 LEU L CG 1938 C CD1 . LEU B 14 ? 0.7515 0.8052 1.6152 0.2190 -0.3258 -0.0023 15 LEU L CD1 1939 C CD2 . LEU B 14 ? 0.7204 0.7317 1.3951 0.1601 -0.2727 0.0290 15 LEU L CD2 1940 N N . GLY B 15 ? 0.9293 0.7307 1.3392 0.1398 -0.3841 0.1763 16 GLY L N 1941 C CA . GLY B 15 ? 1.0250 0.7513 1.3470 0.1419 -0.4139 0.2253 16 GLY L CA 1942 C C . GLY B 15 ? 1.0627 0.7915 1.2932 0.1189 -0.4293 0.2364 16 GLY L C 1943 O O . GLY B 15 ? 1.1380 0.8098 1.2702 0.1134 -0.4419 0.2728 16 GLY L O 1944 N N . GLN B 16 ? 1.0216 0.8180 1.2873 0.1045 -0.4262 0.2031 17 GLN L N 1945 C CA . GLN B 16 ? 1.0445 0.8474 1.2397 0.0796 -0.4385 0.2018 17 GLN L CA 1946 C C . GLN B 16 ? 1.0409 0.7993 1.1412 0.0526 -0.3937 0.2075 17 GLN L C 1947 O O . GLN B 16 ? 1.0073 0.7484 1.1092 0.0493 -0.3493 0.2056 17 GLN L O 1948 C CB . GLN B 16 ? 0.9963 0.8796 1.2686 0.0668 -0.4401 0.1640 17 GLN L CB 1949 C CG . GLN B 16 ? 1.0363 0.9735 1.3924 0.0880 -0.4952 0.1548 17 GLN L CG 1950 C CD . GLN B 16 ? 1.0224 1.0321 1.4369 0.0652 -0.4986 0.1201 17 GLN L CD 1951 O OE1 . GLN B 16 ? 0.9621 0.9831 1.3717 0.0364 -0.4525 0.1044 17 GLN L OE1 1952 N NE2 . GLN B 16 ? 1.0265 1.0854 1.5011 0.0779 -0.5538 0.1096 17 GLN L NE2 1953 N N . LYS B 17 ? 1.0803 0.8266 1.1036 0.0343 -0.4082 0.2094 18 LYS L N 1954 C CA . LYS B 17 ? 1.0735 0.7827 1.0101 0.0091 -0.3691 0.2092 18 LYS L CA 1955 C C . LYS B 17 ? 1.0016 0.7513 0.9803 -0.0128 -0.3368 0.1768 18 LYS L C 1956 O O . LYS B 17 ? 0.9915 0.7914 1.0310 -0.0187 -0.3560 0.1550 18 LYS L O 1957 C CB . LYS B 17 ? 1.1602 0.8388 0.9927 0.0009 -0.3986 0.2211 18 LYS L CB 1958 C CG . LYS B 17 ? 1.1941 0.8247 0.9298 -0.0184 -0.3581 0.2263 18 LYS L CG 1959 C CD . LYS B 17 ? 1.3248 0.9283 0.9494 -0.0219 -0.3875 0.2394 18 LYS L CD 1960 C CE . LYS B 17 ? 1.3823 0.9308 0.9109 -0.0315 -0.3460 0.2597 18 LYS L CE 1961 N NZ . LYS B 17 ? 1.4886 1.0112 0.9020 -0.0289 -0.3734 0.2845 18 LYS L NZ 1962 N N . ALA B 18 ? 0.9671 0.6953 0.9179 -0.0244 -0.2873 0.1762 19 ALA L N 1963 C CA . ALA B 18 ? 0.9157 0.6714 0.8951 -0.0435 -0.2527 0.1556 19 ALA L CA 1964 C C . ALA B 18 ? 0.9470 0.6576 0.8457 -0.0606 -0.2247 0.1567 19 ALA L C 1965 O O . ALA B 18 ? 0.9670 0.6361 0.8063 -0.0566 -0.2080 0.1722 19 ALA L O 1966 C CB . ALA B 18 ? 0.8408 0.6323 0.8855 -0.0348 -0.2181 0.1512 19 ALA L CB 1967 N N . THR B 19 ? 0.9584 0.6780 0.8645 -0.0802 -0.2180 0.1383 20 THR L N 1968 C CA . THR B 19 ? 0.9878 0.6661 0.8290 -0.0952 -0.1929 0.1324 20 THR L CA 1969 C C . THR B 19 ? 0.9487 0.6399 0.8354 -0.1083 -0.1570 0.1230 20 THR L C 1970 O O . THR B 19 ? 0.9487 0.6669 0.8936 -0.1216 -0.1646 0.1092 20 THR L O 1971 C CB . THR B 19 ? 1.0621 0.7206 0.8468 -0.1068 -0.2264 0.1159 20 THR L CB 1972 O OG1 . THR B 19 ? 1.1137 0.7598 0.8456 -0.0921 -0.2613 0.1336 20 THR L OG1 1973 C CG2 . THR B 19 ? 1.0976 0.7141 0.8173 -0.1198 -0.1968 0.1037 20 THR L CG2 1974 N N . ILE B 20 ? 0.9264 0.5983 0.7893 -0.1043 -0.1178 0.1329 21 ILE L N 1975 C CA . ILE B 20 ? 0.8977 0.5763 0.7951 -0.1112 -0.0820 0.1336 21 ILE L CA 1976 C C . ILE B 20 ? 0.9385 0.5688 0.7857 -0.1205 -0.0646 0.1232 21 ILE L C 1977 O O . ILE B 20 ? 0.9557 0.5578 0.7435 -0.1136 -0.0528 0.1257 21 ILE L O 1978 C CB . ILE B 20 ? 0.8433 0.5482 0.7601 -0.0949 -0.0522 0.1508 21 ILE L CB 1979 C CG1 . ILE B 20 ? 0.8145 0.5691 0.7822 -0.0833 -0.0673 0.1532 21 ILE L CG1 1980 C CG2 . ILE B 20 ? 0.8182 0.5338 0.7662 -0.0984 -0.0185 0.1598 21 ILE L CG2 1981 C CD1 . ILE B 20 ? 0.7905 0.5730 0.7693 -0.0659 -0.0443 0.1600 21 ILE L CD1 1982 N N . THR B 21 ? 0.9487 0.5706 0.8285 -0.1369 -0.0609 0.1093 22 THR L N 1983 C CA . THR B 21 ? 0.9872 0.5624 0.8343 -0.1458 -0.0452 0.0911 22 THR L CA 1984 C C . THR B 21 ? 0.9670 0.5328 0.8407 -0.1384 -0.0035 0.1081 22 THR L C 1985 O O . THR B 21 ? 0.9277 0.5250 0.8546 -0.1335 0.0114 0.1323 22 THR L O 1986 C CB . THR B 21 ? 1.0332 0.5972 0.9076 -0.1687 -0.0663 0.0592 22 THR L CB 1987 O OG1 . THR B 21 ? 0.9877 0.5805 0.9526 -0.1792 -0.0609 0.0689 22 THR L OG1 1988 C CG2 . THR B 21 ? 1.0610 0.6362 0.8949 -0.1724 -0.1129 0.0398 22 THR L CG2 1989 N N . CYS B 22 ? 0.9982 0.5241 0.8320 -0.1358 0.0151 0.0954 23 CYS L N 1990 C CA . CYS B 22 ? 0.9859 0.4991 0.8442 -0.1246 0.0510 0.1102 23 CYS L CA 1991 C C . CYS B 22 ? 1.0361 0.4980 0.8851 -0.1313 0.0636 0.0807 23 CYS L C 1992 O O . CYS B 22 ? 1.0623 0.5038 0.8525 -0.1281 0.0678 0.0584 23 CYS L O 1993 C CB . CYS B 22 ? 0.9561 0.4893 0.7840 -0.1033 0.0669 0.1283 23 CYS L CB 1994 S SG . CYS B 22 ? 0.9926 0.5192 0.8435 -0.0832 0.1044 0.1445 23 CYS L SG 1995 N N . SER B 23 ? 1.0568 0.4984 0.9689 -0.1412 0.0722 0.0799 24 SER L N 1996 C CA . SER B 23 ? 1.1204 0.5090 1.0428 -0.1499 0.0819 0.0440 24 SER L CA 1997 C C . SER B 23 ? 1.1373 0.4977 1.0967 -0.1319 0.1170 0.0620 24 SER L C 1998 O O . SER B 23 ? 1.1051 0.4799 1.1123 -0.1214 0.1318 0.1068 24 SER L O 1999 C CB . SER B 23 ? 1.1491 0.5243 1.1284 -0.1775 0.0643 0.0208 24 SER L CB 2000 O OG . SER B 23 ? 1.1275 0.5354 1.0797 -0.1912 0.0269 0.0038 24 SER L OG 2001 N N . GLY B 24 ? 1.1961 0.5197 1.1310 -0.1265 0.1296 0.0261 25 GLY L N 2002 C CA . GLY B 24 ? 1.2208 0.5140 1.1930 -0.1053 0.1608 0.0350 25 GLY L CA 2003 C C . GLY B 24 ? 1.2954 0.5406 1.2609 -0.1080 0.1713 -0.0225 25 GLY L C 2004 O O . GLY B 24 ? 1.3268 0.5744 1.2279 -0.1198 0.1595 -0.0672 25 GLY L O 2005 N N . ASP B 25 ? 1.3403 0.5426 1.3730 -0.0954 0.1939 -0.0205 26 ASP L N 2006 C CA . ASP B 25 ? 1.4234 0.5771 1.4660 -0.0955 0.2074 -0.0814 26 ASP L CA 2007 C C . ASP B 25 ? 1.4206 0.5974 1.3905 -0.0793 0.2210 -0.1072 26 ASP L C 2008 O O . ASP B 25 ? 1.3865 0.5881 1.3565 -0.0532 0.2376 -0.0740 26 ASP L O 2009 C CB . ASP B 25 ? 1.4627 0.5626 1.6030 -0.0790 0.2309 -0.0671 26 ASP L CB 2010 C CG . ASP B 25 ? 1.5864 0.6275 1.7603 -0.0871 0.2401 -0.1397 26 ASP L CG 2011 O OD1 . ASP B 25 ? 1.6696 0.7187 1.7833 -0.1068 0.2269 -0.2026 26 ASP L OD1 2012 O OD2 . ASP B 25 ? 1.6449 0.6321 1.9058 -0.0725 0.2599 -0.1348 26 ASP L OD2 2013 N N . LYS B 26 ? 1.4655 0.6394 1.3730 -0.0962 0.2136 -0.1669 27 LYS L N 2014 C CA . LYS B 26 ? 1.4779 0.6749 1.3082 -0.0869 0.2305 -0.1943 27 LYS L CA 2015 C C . LYS B 26 ? 1.4028 0.6509 1.1905 -0.0768 0.2301 -0.1416 27 LYS L C 2016 O O . LYS B 26 ? 1.3862 0.6547 1.1609 -0.0584 0.2552 -0.1373 27 LYS L O 2017 C CB . LYS B 26 ? 1.5157 0.6856 1.3907 -0.0634 0.2665 -0.2253 27 LYS L CB 2018 C CG . LYS B 26 ? 1.5966 0.7122 1.5178 -0.0727 0.2697 -0.2889 27 LYS L CG 2019 C CD . LYS B 26 ? 1.6348 0.7210 1.6204 -0.0434 0.3055 -0.3133 27 LYS L CD 2020 C CE . LYS B 26 ? 1.7180 0.7406 1.7733 -0.0509 0.3095 -0.3756 27 LYS L CE 2021 N NZ . LYS B 26 ? 1.7570 0.7507 1.8762 -0.0194 0.3452 -0.4085 27 LYS L NZ 2022 N N . LEU B 27 ? 1.3559 0.6262 1.1317 -0.0899 0.2014 -0.1062 28 LEU L N 2023 C CA . LEU B 27 ? 1.2836 0.5999 1.0331 -0.0822 0.1967 -0.0581 28 LEU L CA 2024 C C . LEU B 27 ? 1.2999 0.6373 0.9638 -0.0855 0.2040 -0.0723 28 LEU L C 2025 O O . LEU B 27 ? 1.2551 0.6245 0.9081 -0.0753 0.2137 -0.0433 28 LEU L O 2026 C CB . LEU B 27 ? 1.2454 0.5798 1.0030 -0.0965 0.1639 -0.0277 28 LEU L CB 2027 C CG . LEU B 27 ? 1.1908 0.5717 0.9348 -0.0888 0.1562 0.0171 28 LEU L CG 2028 C CD1 . LEU B 27 ? 1.1602 0.5618 0.9491 -0.0634 0.1786 0.0488 28 LEU L CD1 2029 C CD2 . LEU B 27 ? 1.1685 0.5666 0.9342 -0.1019 0.1263 0.0381 28 LEU L CD2 2030 N N . SER B 28 ? 1.3718 0.6928 0.9766 -0.1008 0.2002 -0.1180 29 SER L N 2031 C CA . SER B 28 ? 1.3987 0.7382 0.9078 -0.1082 0.2057 -0.1261 29 SER L CA 2032 C C . SER B 28 ? 1.4331 0.7726 0.9262 -0.0980 0.2490 -0.1568 29 SER L C 2033 O O . SER B 28 ? 1.5028 0.8492 0.9142 -0.1072 0.2615 -0.1815 29 SER L O 2034 C CB . SER B 28 ? 1.4648 0.7985 0.9026 -0.1291 0.1743 -0.1548 29 SER L CB 2035 O OG . SER B 28 ? 1.4140 0.7580 0.8668 -0.1375 0.1337 -0.1246 29 SER L OG 2036 N N . ASP B 29 ? 1.3954 0.7308 0.9685 -0.0774 0.2724 -0.1538 30 ASP L N 2037 C CA . ASP B 29 ? 1.4158 0.7617 0.9956 -0.0626 0.3152 -0.1781 30 ASP L CA 2038 C C . ASP B 29 ? 1.3254 0.7045 0.9595 -0.0434 0.3270 -0.1349 30 ASP L C 2039 O O . ASP B 29 ? 1.3156 0.7092 0.9938 -0.0239 0.3575 -0.1467 30 ASP L O 2040 C CB . ASP B 29 ? 1.4732 0.7843 1.1085 -0.0511 0.3317 -0.2272 30 ASP L CB 2041 C CG . ASP B 29 ? 1.5800 0.8621 1.1690 -0.0716 0.3167 -0.2803 30 ASP L CG 2042 O OD1 . ASP B 29 ? 1.6067 0.8829 1.1724 -0.0899 0.2787 -0.2665 30 ASP L OD1 2043 O OD2 . ASP B 29 ? 1.6743 0.9448 1.2540 -0.0687 0.3420 -0.3404 30 ASP L OD2 2044 N N . VAL B 30 ? 1.2578 0.6537 0.8910 -0.0484 0.3000 -0.0888 31 VAL L N 2045 C CA . VAL B 30 ? 1.1824 0.6166 0.8639 -0.0323 0.3024 -0.0496 31 VAL L CA 2046 C C . VAL B 30 ? 1.1393 0.5936 0.7893 -0.0456 0.2769 -0.0139 31 VAL L C 2047 O O . VAL B 30 ? 1.1663 0.6035 0.7893 -0.0599 0.2481 -0.0070 31 VAL L O 2048 C CB . VAL B 30 ? 1.1465 0.5760 0.9125 -0.0093 0.2950 -0.0302 31 VAL L CB 2049 C CG1 . VAL B 30 ? 1.0796 0.5502 0.8733 -0.0002 0.2781 0.0160 31 VAL L CG1 2050 C CG2 . VAL B 30 ? 1.1741 0.6035 0.9936 0.0158 0.3250 -0.0524 31 VAL L CG2 2051 N N . TYR B 31 ? 1.0828 0.5754 0.7445 -0.0406 0.2875 0.0043 32 TYR L N 2052 C CA . TYR B 31 ? 1.0265 0.5380 0.6736 -0.0501 0.2656 0.0347 32 TYR L CA 2053 C C . TYR B 31 ? 0.9865 0.5054 0.6726 -0.0429 0.2350 0.0595 32 TYR L C 2054 O O . TYR B 31 ? 0.9600 0.4894 0.7010 -0.0244 0.2361 0.0673 32 TYR L O 2055 C CB . TYR B 31 ? 0.9863 0.5393 0.6590 -0.0458 0.2837 0.0433 32 TYR L CB 2056 C CG . TYR B 31 ? 1.0047 0.5529 0.6288 -0.0629 0.3123 0.0317 32 TYR L CG 2057 C CD1 . TYR B 31 ? 1.0072 0.5232 0.5511 -0.0837 0.3054 0.0357 32 TYR L CD1 2058 C CD2 . TYR B 31 ? 0.9659 0.5471 0.6259 -0.0583 0.3465 0.0195 32 TYR L CD2 2059 C CE1 . TYR B 31 ? 1.0714 0.5840 0.5640 -0.0997 0.3350 0.0331 32 TYR L CE1 2060 C CE2 . TYR B 31 ? 0.9819 0.5613 0.6007 -0.0771 0.3789 0.0127 32 TYR L CE2 2061 C CZ . TYR B 31 ? 1.0628 0.6060 0.5938 -0.0980 0.3747 0.0224 32 TYR L CZ 2062 O OH . TYR B 31 ? 1.1713 0.7131 0.6531 -0.1172 0.4106 0.0232 32 TYR L OH 2063 N N . VAL B 32 ? 0.9836 0.4987 0.6406 -0.0568 0.2089 0.0741 33 VAL L N 2064 C CA . VAL B 32 ? 0.9400 0.4725 0.6326 -0.0526 0.1825 0.0970 33 VAL L CA 2065 C C . VAL B 32 ? 0.9059 0.4703 0.6025 -0.0533 0.1718 0.1139 33 VAL L C 2066 O O . VAL B 32 ? 0.9395 0.4916 0.5959 -0.0656 0.1698 0.1141 33 VAL L O 2067 C CB . VAL B 32 ? 0.9670 0.4706 0.6393 -0.0675 0.1569 0.0928 33 VAL L CB 2068 C CG1 . VAL B 32 ? 0.9245 0.4530 0.6416 -0.0644 0.1355 0.1157 33 VAL L CG1 2069 C CG2 . VAL B 32 ? 1.0077 0.4754 0.6823 -0.0699 0.1670 0.0675 33 VAL L CG2 2070 N N . HIS B 33 ? 0.8545 0.4598 0.6004 -0.0391 0.1657 0.1282 34 HIS L N 2071 C CA . HIS B 33 ? 0.8209 0.4612 0.5831 -0.0375 0.1560 0.1355 34 HIS L CA 2072 C C . HIS B 33 ? 0.8037 0.4693 0.5925 -0.0334 0.1333 0.1490 34 HIS L C 2073 O O . HIS B 33 ? 0.8020 0.4730 0.6103 -0.0276 0.1316 0.1588 34 HIS L O 2074 C CB . HIS B 33 ? 0.7915 0.4767 0.5910 -0.0228 0.1732 0.1295 34 HIS L CB 2075 C CG . HIS B 33 ? 0.8322 0.5060 0.6277 -0.0198 0.1999 0.1158 34 HIS L CG 2076 N ND1 . HIS B 33 ? 0.8568 0.5156 0.6296 -0.0334 0.2194 0.1033 34 HIS L ND1 2077 C CD2 . HIS B 33 ? 0.8434 0.5197 0.6597 -0.0039 0.2125 0.1131 34 HIS L CD2 2078 C CE1 . HIS B 33 ? 0.8650 0.5233 0.6453 -0.0265 0.2441 0.0887 34 HIS L CE1 2079 N NE2 . HIS B 33 ? 0.8548 0.5221 0.6642 -0.0069 0.2386 0.0934 34 HIS L NE2 2080 N N . TRP B 34 ? 0.7840 0.4648 0.5791 -0.0365 0.1187 0.1497 35 TRP L N 2081 C CA . TRP B 34 ? 0.7500 0.4604 0.5736 -0.0328 0.0990 0.1571 35 TRP L CA 2082 C C . TRP B 34 ? 0.7088 0.4753 0.5712 -0.0200 0.0992 0.1501 35 TRP L C 2083 O O . TRP B 34 ? 0.7006 0.4682 0.5687 -0.0215 0.1029 0.1381 35 TRP L O 2084 C CB . TRP B 34 ? 0.7703 0.4496 0.5738 -0.0457 0.0750 0.1590 35 TRP L CB 2085 C CG . TRP B 34 ? 0.8026 0.4395 0.5710 -0.0582 0.0687 0.1588 35 TRP L CG 2086 C CD1 . TRP B 34 ? 0.8636 0.4578 0.5805 -0.0677 0.0762 0.1519 35 TRP L CD1 2087 C CD2 . TRP B 34 ? 0.8224 0.4603 0.6087 -0.0639 0.0552 0.1608 35 TRP L CD2 2088 N NE1 . TRP B 34 ? 0.9300 0.4989 0.6286 -0.0778 0.0651 0.1444 35 TRP L NE1 2089 C CE2 . TRP B 34 ? 0.8787 0.4719 0.6246 -0.0770 0.0516 0.1499 35 TRP L CE2 2090 C CE3 . TRP B 34 ? 0.8073 0.4830 0.6427 -0.0610 0.0483 0.1688 35 TRP L CE3 2091 C CZ2 . TRP B 34 ? 0.9132 0.4959 0.6738 -0.0882 0.0381 0.1430 35 TRP L CZ2 2092 C CZ3 . TRP B 34 ? 0.8146 0.4792 0.6658 -0.0735 0.0386 0.1680 35 TRP L CZ3 2093 C CH2 . TRP B 34 ? 0.8728 0.4900 0.6904 -0.0875 0.0320 0.1535 35 TRP L CH2 2094 N N . TYR B 35 ? 0.6792 0.4936 0.5697 -0.0087 0.0965 0.1565 36 TYR L N 2095 C CA . TYR B 35 ? 0.6441 0.5235 0.5686 0.0049 0.0947 0.1440 36 TYR L CA 2096 C C . TYR B 35 ? 0.6287 0.5364 0.5768 0.0055 0.0808 0.1442 36 TYR L C 2097 O O . TYR B 35 ? 0.6325 0.5290 0.5793 -0.0012 0.0769 0.1605 36 TYR L O 2098 C CB . TYR B 35 ? 0.6314 0.5630 0.5644 0.0231 0.1078 0.1501 36 TYR L CB 2099 C CG . TYR B 35 ? 0.6551 0.5678 0.5775 0.0262 0.1212 0.1473 36 TYR L CG 2100 C CD1 . TYR B 35 ? 0.7015 0.5704 0.6051 0.0242 0.1311 0.1645 36 TYR L CD1 2101 C CD2 . TYR B 35 ? 0.6843 0.6249 0.6247 0.0304 0.1252 0.1229 36 TYR L CD2 2102 C CE1 . TYR B 35 ? 0.7571 0.6130 0.6581 0.0292 0.1454 0.1578 36 TYR L CE1 2103 C CE2 . TYR B 35 ? 0.7234 0.6544 0.6634 0.0329 0.1396 0.1178 36 TYR L CE2 2104 C CZ . TYR B 35 ? 0.7608 0.6503 0.6800 0.0336 0.1502 0.1355 36 TYR L CZ 2105 O OH . TYR B 35 ? 0.7598 0.6431 0.6850 0.0383 0.1666 0.1267 36 TYR L OH 2106 N N . GLN B 36 ? 0.6116 0.5583 0.5896 0.0129 0.0747 0.1212 37 GLN L N 2107 C CA . GLN B 36 ? 0.5972 0.5844 0.6084 0.0177 0.0645 0.1125 37 GLN L CA 2108 C C . GLN B 36 ? 0.5714 0.6446 0.6012 0.0351 0.0749 0.0992 37 GLN L C 2109 O O . GLN B 36 ? 0.5663 0.6705 0.5992 0.0446 0.0800 0.0799 37 GLN L O 2110 C CB . GLN B 36 ? 0.6129 0.5773 0.6504 0.0155 0.0484 0.0915 37 GLN L CB 2111 C CG . GLN B 36 ? 0.6176 0.6246 0.7009 0.0236 0.0371 0.0764 37 GLN L CG 2112 C CD . GLN B 36 ? 0.6066 0.5916 0.7281 0.0269 0.0218 0.0536 37 GLN L CD 2113 O OE1 . GLN B 36 ? 0.6080 0.6033 0.7501 0.0313 0.0275 0.0283 37 GLN L OE1 2114 N NE2 . GLN B 36 ? 0.6392 0.5939 0.7768 0.0252 0.0010 0.0623 37 GLN L NE2 2115 N N . GLN B 37 ? 0.5622 0.6793 0.6047 0.0386 0.0783 0.1085 38 GLN L N 2116 C CA . GLN B 37 ? 0.5507 0.7591 0.6024 0.0557 0.0896 0.0977 38 GLN L CA 2117 C C . GLN B 37 ? 0.5598 0.8148 0.6484 0.0576 0.0884 0.0826 38 GLN L C 2118 O O . GLN B 37 ? 0.5818 0.8163 0.6830 0.0460 0.0870 0.1019 38 GLN L O 2119 C CB . GLN B 37 ? 0.5562 0.7863 0.5762 0.0612 0.1066 0.1374 38 GLN L CB 2120 C CG . GLN B 37 ? 0.5649 0.8955 0.5789 0.0815 0.1180 0.1323 38 GLN L CG 2121 C CD . GLN B 37 ? 0.5903 0.9378 0.5694 0.0916 0.1327 0.1795 38 GLN L CD 2122 O OE1 . GLN B 37 ? 0.6022 0.9019 0.5764 0.0802 0.1420 0.2214 38 GLN L OE1 2123 N NE2 . GLN B 37 ? 0.5766 0.9930 0.5355 0.1140 0.1330 0.1721 38 GLN L NE2 2124 N N . LYS B 38 ? 0.5541 0.8772 0.6664 0.0724 0.0891 0.0423 39 LYS L N 2125 C CA . LYS B 38 ? 0.5558 0.9368 0.7091 0.0783 0.0917 0.0186 39 LYS L CA 2126 C C . LYS B 38 ? 0.5765 1.0608 0.7124 0.0926 0.1136 0.0180 39 LYS L C 2127 O O . LYS B 38 ? 0.5897 1.0962 0.6799 0.0991 0.1233 0.0427 39 LYS L O 2128 C CB . LYS B 38 ? 0.5513 0.9288 0.7543 0.0852 0.0759 -0.0343 39 LYS L CB 2129 C CG . LYS B 38 ? 0.5590 0.8349 0.7681 0.0729 0.0562 -0.0265 39 LYS L CG 2130 C CD . LYS B 38 ? 0.5973 0.8577 0.8690 0.0788 0.0398 -0.0631 39 LYS L CD 2131 C CE . LYS B 38 ? 0.6572 0.8155 0.9253 0.0673 0.0219 -0.0460 39 LYS L CE 2132 N NZ . LYS B 38 ? 0.6992 0.8284 1.0286 0.0744 0.0020 -0.0642 39 LYS L NZ 2133 N N . ALA B 39 ? 0.5870 1.1373 0.7599 0.0992 0.1214 -0.0096 40 ALA L N 2134 C CA . ALA B 39 ? 0.6112 1.2684 0.7634 0.1116 0.1468 -0.0084 40 ALA L CA 2135 C C . ALA B 39 ? 0.6286 1.3418 0.7396 0.1297 0.1465 -0.0282 40 ALA L C 2136 O O . ALA B 39 ? 0.6321 1.3697 0.7681 0.1400 0.1337 -0.0878 40 ALA L O 2137 C CB . ALA B 39 ? 0.6185 1.3454 0.8254 0.1189 0.1549 -0.0540 40 ALA L CB 2138 N N . GLY B 40 ? 0.6526 1.3859 0.7060 0.1339 0.1594 0.0222 41 GLY L N 2139 C CA . GLY B 40 ? 0.6755 1.4797 0.6838 0.1552 0.1575 0.0111 41 GLY L CA 2140 C C . GLY B 40 ? 0.6531 1.4248 0.6788 0.1582 0.1321 -0.0336 41 GLY L C 2141 O O . GLY B 40 ? 0.6642 1.5105 0.6901 0.1742 0.1238 -0.0856 41 GLY L O 2142 N N . GLN B 41 ? 0.6243 1.2877 0.6667 0.1410 0.1211 -0.0153 42 GLN L N 2143 C CA . GLN B 41 ? 0.6044 1.2250 0.6650 0.1385 0.1029 -0.0467 42 GLN L CA 2144 C C . GLN B 41 ? 0.5877 1.1463 0.6161 0.1339 0.1020 0.0016 42 GLN L C 2145 O O . GLN B 41 ? 0.5959 1.1121 0.5995 0.1271 0.1122 0.0571 42 GLN L O 2146 C CB . GLN B 41 ? 0.5924 1.1381 0.7077 0.1224 0.0919 -0.0761 42 GLN L CB 2147 C CG . GLN B 41 ? 0.6138 1.2125 0.7810 0.1301 0.0885 -0.1394 42 GLN L CG 2148 C CD . GLN B 41 ? 0.6380 1.1526 0.8629 0.1175 0.0747 -0.1613 42 GLN L CD 2149 O OE1 . GLN B 41 ? 0.5943 1.0313 0.8206 0.1049 0.0666 -0.1497 42 GLN L OE1 2150 N NE2 . GLN B 41 ? 0.6643 1.1961 0.9382 0.1222 0.0734 -0.1909 42 GLN L NE2 2151 N N . ALA B 42 ? 0.5626 1.1185 0.6005 0.1372 0.0909 -0.0251 43 ALA L N 2152 C CA . ALA B 42 ? 0.5481 1.0439 0.5684 0.1331 0.0907 0.0090 43 ALA L CA 2153 C C . ALA B 42 ? 0.5311 0.9142 0.5627 0.1083 0.0920 0.0261 43 ALA L C 2154 O O . ALA B 42 ? 0.5148 0.8673 0.5782 0.0961 0.0863 -0.0003 43 ALA L O 2155 C CB . ALA B 42 ? 0.5417 1.0709 0.5825 0.1406 0.0798 -0.0312 43 ALA L CB 2156 N N . PRO B 43 ? 0.5332 0.8555 0.5389 0.1026 0.0984 0.0701 44 PRO L N 2157 C CA . PRO B 43 ? 0.5313 0.7550 0.5384 0.0803 0.0981 0.0812 44 PRO L CA 2158 C C . PRO B 43 ? 0.5247 0.7153 0.5560 0.0698 0.0933 0.0473 44 PRO L C 2159 O O . PRO B 43 ? 0.5184 0.7508 0.5672 0.0778 0.0928 0.0203 44 PRO L O 2160 C CB . PRO B 43 ? 0.5492 0.7314 0.5271 0.0811 0.1076 0.1232 44 PRO L CB 2161 C CG . PRO B 43 ? 0.5575 0.8042 0.5202 0.1010 0.1136 0.1502 44 PRO L CG 2162 C CD . PRO B 43 ? 0.5571 0.8981 0.5308 0.1178 0.1063 0.1136 44 PRO L CD 2163 N N . VAL B 44 ? 0.5195 0.6375 0.5537 0.0513 0.0896 0.0506 45 VAL L N 2164 C CA . VAL B 44 ? 0.5156 0.5853 0.5669 0.0373 0.0895 0.0321 45 VAL L CA 2165 C C . VAL B 44 ? 0.5485 0.5318 0.5631 0.0204 0.0941 0.0625 45 VAL L C 2166 O O . VAL B 44 ? 0.5722 0.5193 0.5651 0.0143 0.0870 0.0848 45 VAL L O 2167 C CB . VAL B 44 ? 0.5016 0.5703 0.5957 0.0338 0.0783 0.0028 45 VAL L CB 2168 C CG1 . VAL B 44 ? 0.5084 0.4951 0.6064 0.0151 0.0782 0.0088 45 VAL L CG1 2169 C CG2 . VAL B 44 ? 0.4962 0.6422 0.6346 0.0457 0.0770 -0.0446 45 VAL L CG2 2170 N N . LEU B 45 ? 0.5577 0.5164 0.5680 0.0128 0.1067 0.0588 46 LEU L N 2171 C CA . LEU B 45 ? 0.5838 0.4674 0.5551 -0.0035 0.1155 0.0804 46 LEU L CA 2172 C C . LEU B 45 ? 0.6028 0.4325 0.5706 -0.0180 0.1055 0.0850 46 LEU L C 2173 O O . LEU B 45 ? 0.6206 0.4492 0.6244 -0.0229 0.1059 0.0678 46 LEU L O 2174 C CB . LEU B 45 ? 0.5930 0.4760 0.5705 -0.0080 0.1361 0.0700 46 LEU L CB 2175 C CG . LEU B 45 ? 0.6505 0.4694 0.5846 -0.0231 0.1526 0.0865 46 LEU L CG 2176 C CD1 . LEU B 45 ? 0.6696 0.4714 0.5665 -0.0163 0.1515 0.1059 46 LEU L CD1 2177 C CD2 . LEU B 45 ? 0.6539 0.4893 0.6117 -0.0267 0.1764 0.0697 46 LEU L CD2 2178 N N . VAL B 46 ? 0.6225 0.4086 0.5518 -0.0239 0.0945 0.1083 47 VAL L N 2179 C CA . VAL B 46 ? 0.6558 0.3904 0.5740 -0.0338 0.0792 0.1200 47 VAL L CA 2180 C C . VAL B 46 ? 0.7123 0.3841 0.5701 -0.0492 0.0872 0.1405 47 VAL L C 2181 O O . VAL B 46 ? 0.7741 0.4026 0.6186 -0.0589 0.0859 0.1527 47 VAL L O 2182 C CB . VAL B 46 ? 0.6450 0.3879 0.5712 -0.0273 0.0537 0.1266 47 VAL L CB 2183 C CG1 . VAL B 46 ? 0.6220 0.4243 0.6087 -0.0131 0.0479 0.1030 47 VAL L CG1 2184 C CG2 . VAL B 46 ? 0.6427 0.3907 0.5404 -0.0279 0.0532 0.1384 47 VAL L CG2 2185 N N . ILE B 47 ? 0.7075 0.3746 0.5288 -0.0508 0.0967 0.1445 48 ILE L N 2186 C CA . ILE B 47 ? 0.7621 0.3812 0.5242 -0.0643 0.1111 0.1540 48 ILE L CA 2187 C C . ILE B 47 ? 0.7597 0.3933 0.5184 -0.0617 0.1378 0.1425 48 ILE L C 2188 O O . ILE B 47 ? 0.7418 0.4079 0.5247 -0.0489 0.1373 0.1372 48 ILE L O 2189 C CB . ILE B 47 ? 0.7978 0.3800 0.5079 -0.0706 0.0892 0.1670 48 ILE L CB 2190 C CG1 . ILE B 47 ? 0.8513 0.3987 0.5397 -0.0764 0.0713 0.1859 48 ILE L CG1 2191 C CG2 . ILE B 47 ? 0.7908 0.3454 0.4445 -0.0795 0.1071 0.1630 48 ILE L CG2 2192 C CD1 . ILE B 47 ? 0.9237 0.4508 0.5739 -0.0778 0.0381 0.1966 48 ILE L CD1 2193 N N . TYR B 48 ? 0.7965 0.4061 0.5271 -0.0728 0.1626 0.1412 49 TYR L N 2194 C CA . TYR B 48 ? 0.8027 0.4247 0.5344 -0.0691 0.1900 0.1272 49 TYR L CA 2195 C C . TYR B 48 ? 0.8718 0.4520 0.5404 -0.0832 0.2103 0.1273 49 TYR L C 2196 O O . TYR B 48 ? 0.9354 0.4815 0.5579 -0.0980 0.2096 0.1420 49 TYR L O 2197 C CB . TYR B 48 ? 0.7776 0.4443 0.5678 -0.0644 0.2088 0.1124 49 TYR L CB 2198 C CG . TYR B 48 ? 0.7915 0.4434 0.5892 -0.0822 0.2238 0.1145 49 TYR L CG 2199 C CD1 . TYR B 48 ? 0.7877 0.4340 0.6098 -0.0860 0.2055 0.1214 49 TYR L CD1 2200 C CD2 . TYR B 48 ? 0.8344 0.4790 0.6241 -0.0952 0.2593 0.1090 49 TYR L CD2 2201 C CE1 . TYR B 48 ? 0.7907 0.4158 0.6299 -0.1031 0.2209 0.1267 49 TYR L CE1 2202 C CE2 . TYR B 48 ? 0.8763 0.5052 0.6793 -0.1149 0.2779 0.1158 49 TYR L CE2 2203 C CZ . TYR B 48 ? 0.8529 0.4683 0.6818 -0.1191 0.2582 0.1263 49 TYR L CZ 2204 O OH . TYR B 48 ? 0.8863 0.4779 0.7374 -0.1398 0.2787 0.1364 49 TYR L OH 2205 N N . GLU B 49 ? 0.8797 0.4642 0.5461 -0.0765 0.2282 0.1113 50 GLU L N 2206 C CA . GLU B 49 ? 0.9517 0.5065 0.5621 -0.0873 0.2527 0.1009 50 GLU L CA 2207 C C . GLU B 49 ? 1.0169 0.5305 0.5547 -0.0990 0.2305 0.1102 50 GLU L C 2208 O O . GLU B 49 ? 1.0975 0.5873 0.5743 -0.1138 0.2396 0.1198 50 GLU L O 2209 C CB . GLU B 49 ? 0.9797 0.5405 0.5881 -0.1004 0.2872 0.1010 50 GLU L CB 2210 C CG . GLU B 49 ? 0.9567 0.5610 0.6292 -0.0897 0.3165 0.0789 50 GLU L CG 2211 C CD . GLU B 49 ? 1.0363 0.6585 0.7349 -0.1051 0.3481 0.0784 50 GLU L CD 2212 O OE1 . GLU B 49 ? 1.1773 0.7683 0.8211 -0.1266 0.3686 0.0916 50 GLU L OE1 2213 O OE2 . GLU B 49 ? 0.9994 0.6702 0.7752 -0.0962 0.3529 0.0650 50 GLU L OE2 2214 N N . ASP B 50 ? 1.0058 0.5155 0.5531 -0.0922 0.2009 0.1089 51 ASP L N 2215 C CA . ASP B 50 ? 1.0644 0.5451 0.5564 -0.1014 0.1725 0.1107 51 ASP L CA 2216 C C . ASP B 50 ? 1.0748 0.5469 0.5432 -0.1075 0.1474 0.1377 51 ASP L C 2217 O O . ASP B 50 ? 1.0692 0.5434 0.5504 -0.1049 0.1119 0.1458 51 ASP L O 2218 C CB . ASP B 50 ? 1.1521 0.6078 0.5707 -0.1119 0.1903 0.0905 51 ASP L CB 2219 C CG . ASP B 50 ? 1.2009 0.6593 0.6455 -0.1042 0.2181 0.0585 51 ASP L CG 2220 O OD1 . ASP B 50 ? 1.2265 0.6977 0.7394 -0.0907 0.2136 0.0563 51 ASP L OD1 2221 O OD2 . ASP B 50 ? 1.2641 0.7122 0.6603 -0.1104 0.2451 0.0363 51 ASP L OD2 2222 N N . ASN B 51 ? 1.0955 0.5580 0.5366 -0.1155 0.1682 0.1526 52 ASN L N 2223 C CA . ASN B 51 ? 1.1448 0.5819 0.5362 -0.1230 0.1490 0.1825 52 ASN L CA 2224 C C . ASN B 51 ? 1.1402 0.5745 0.5645 -0.1264 0.1634 0.2064 52 ASN L C 2225 O O . ASN B 51 ? 1.2212 0.6257 0.5971 -0.1355 0.1648 0.2361 52 ASN L O 2226 C CB . ASN B 51 ? 1.2362 0.6488 0.5272 -0.1348 0.1605 0.1824 52 ASN L CB 2227 C CG . ASN B 51 ? 1.2542 0.6704 0.5307 -0.1436 0.2139 0.1726 52 ASN L CG 2228 O OD1 . ASN B 51 ? 1.1952 0.6326 0.5422 -0.1408 0.2393 0.1657 52 ASN L OD1 2229 N ND2 . ASN B 51 ? 1.3847 0.7872 0.5707 -0.1539 0.2311 0.1688 52 ASN L ND2 2230 N N . ARG B 52 ? 1.0616 0.5270 0.5691 -0.1191 0.1734 0.1942 53 ARG L N 2231 C CA . ARG B 52 ? 1.0517 0.5171 0.6055 -0.1244 0.1879 0.2071 53 ARG L CA 2232 C C . ARG B 52 ? 0.9721 0.4681 0.6107 -0.1116 0.1672 0.1978 53 ARG L C 2233 O O . ARG B 52 ? 0.9156 0.4436 0.5830 -0.0978 0.1497 0.1813 53 ARG L O 2234 C CB . ARG B 52 ? 1.0570 0.5358 0.6246 -0.1352 0.2356 0.1946 53 ARG L CB 2235 C CG . ARG B 52 ? 1.1544 0.6058 0.6336 -0.1493 0.2623 0.2035 53 ARG L CG 2236 C CD . ARG B 52 ? 1.1939 0.6581 0.6942 -0.1638 0.3137 0.1973 53 ARG L CD 2237 N NE . ARG B 52 ? 1.2896 0.7207 0.7053 -0.1828 0.3413 0.2234 53 ARG L NE 2238 C CZ . ARG B 52 ? 1.4102 0.8058 0.8078 -0.1969 0.3460 0.2653 53 ARG L CZ 2239 N NH1 . ARG B 52 ? 1.3986 0.7850 0.8655 -0.1938 0.3237 0.2790 53 ARG L NH1 2240 N NH2 . ARG B 52 ? 1.5604 0.9297 0.8711 -0.2136 0.3744 0.2942 53 ARG L NH2 2241 N N . ARG B 53 ? 0.9808 0.4660 0.6596 -0.1173 0.1721 0.2086 54 ARG L N 2242 C CA . ARG B 53 ? 0.9356 0.4420 0.6884 -0.1055 0.1484 0.1990 54 ARG L CA 2243 C C . ARG B 53 ? 0.9188 0.4439 0.7470 -0.1123 0.1714 0.1814 54 ARG L C 2244 O O . ARG B 53 ? 0.9715 0.4638 0.7957 -0.1302 0.1969 0.1973 54 ARG L O 2245 C CB . ARG B 53 ? 0.9730 0.4375 0.7093 -0.1022 0.1167 0.2286 54 ARG L CB 2246 C CG . ARG B 53 ? 0.9292 0.4223 0.7366 -0.0849 0.0869 0.2125 54 ARG L CG 2247 C CD . ARG B 53 ? 0.9924 0.4459 0.7905 -0.0776 0.0532 0.2416 54 ARG L CD 2248 N NE . ARG B 53 ? 1.1235 0.5204 0.9178 -0.0881 0.0645 0.2736 54 ARG L NE 2249 C CZ . ARG B 53 ? 1.2520 0.5991 0.9647 -0.0974 0.0662 0.3159 54 ARG L CZ 2250 N NH1 . ARG B 53 ? 1.2836 0.6340 0.9128 -0.0972 0.0544 0.3225 54 ARG L NH1 2251 N NH2 . ARG B 53 ? 1.3157 0.6104 1.0307 -0.1073 0.0803 0.3514 54 ARG L NH2 2252 N N . PRO B 54 ? 0.8587 0.4403 0.7566 -0.0992 0.1633 0.1475 55 PRO L N 2253 C CA . PRO B 54 ? 0.8561 0.4591 0.8322 -0.1065 0.1797 0.1231 55 PRO L CA 2254 C C . PRO B 54 ? 0.9003 0.4678 0.9214 -0.1088 0.1652 0.1304 55 PRO L C 2255 O O . PRO B 54 ? 0.8905 0.4451 0.9041 -0.0952 0.1348 0.1408 55 PRO L O 2256 C CB . PRO B 54 ? 0.7830 0.4663 0.8071 -0.0880 0.1707 0.0828 55 PRO L CB 2257 C CG . PRO B 54 ? 0.7691 0.4642 0.7381 -0.0728 0.1549 0.0944 55 PRO L CG 2258 C CD . PRO B 54 ? 0.8038 0.4355 0.7118 -0.0791 0.1420 0.1295 55 PRO L CD 2259 N N . SER B 55 ? 0.9567 0.5074 1.0324 -0.1264 0.1881 0.1244 56 SER L N 2260 C CA . SER B 55 ? 1.0102 0.5278 1.1534 -0.1280 0.1769 0.1233 56 SER L CA 2261 C C . SER B 55 ? 0.9582 0.5396 1.1683 -0.1067 0.1518 0.0731 56 SER L C 2262 O O . SER B 55 ? 0.9254 0.5792 1.1685 -0.1019 0.1574 0.0300 56 SER L O 2263 C CB . SER B 55 ? 1.0601 0.5509 1.2643 -0.1548 0.2110 0.1211 56 SER L CB 2264 O OG . SER B 55 ? 1.1489 0.5780 1.2842 -0.1748 0.2371 0.1748 56 SER L OG 2265 N N . GLY B 56 ? 0.9680 0.5271 1.1946 -0.0919 0.1235 0.0797 57 GLY L N 2266 C CA . GLY B 56 ? 0.9185 0.5400 1.2008 -0.0700 0.1011 0.0332 57 GLY L CA 2267 C C . GLY B 56 ? 0.9047 0.5383 1.1333 -0.0507 0.0748 0.0518 57 GLY L C 2268 O O . GLY B 56 ? 0.8904 0.5552 1.1599 -0.0321 0.0538 0.0285 57 GLY L O 2269 N N . ILE B 57 ? 0.9123 0.5244 1.0543 -0.0564 0.0781 0.0897 58 ILE L N 2270 C CA . ILE B 57 ? 0.9011 0.5110 0.9918 -0.0441 0.0532 0.1126 58 ILE L CA 2271 C C . ILE B 57 ? 0.9706 0.5087 1.0453 -0.0438 0.0333 0.1529 58 ILE L C 2272 O O . ILE B 57 ? 1.0327 0.5109 1.0795 -0.0588 0.0467 0.1851 58 ILE L O 2273 C CB . ILE B 57 ? 0.8866 0.5020 0.8976 -0.0504 0.0630 0.1299 58 ILE L CB 2274 C CG1 . ILE B 57 ? 0.8383 0.5257 0.8665 -0.0443 0.0772 0.0974 58 ILE L CG1 2275 C CG2 . ILE B 57 ? 0.8983 0.5035 0.8649 -0.0427 0.0362 0.1517 58 ILE L CG2 2276 C CD1 . ILE B 57 ? 0.7998 0.5514 0.8656 -0.0251 0.0604 0.0728 58 ILE L CD1 2277 N N . PRO B 58 ? 0.9673 0.5149 1.0613 -0.0256 0.0017 0.1535 59 PRO L N 2278 C CA . PRO B 58 ? 1.0399 0.5266 1.1215 -0.0193 -0.0248 0.1936 59 PRO L CA 2279 C C . PRO B 58 ? 1.0977 0.5396 1.0759 -0.0308 -0.0277 0.2404 59 PRO L C 2280 O O . PRO B 58 ? 1.0682 0.5362 0.9887 -0.0370 -0.0229 0.2363 59 PRO L O 2281 C CB . PRO B 58 ? 1.0127 0.5429 1.1343 0.0031 -0.0567 0.1761 59 PRO L CB 2282 C CG . PRO B 58 ? 0.9356 0.5415 1.1144 0.0085 -0.0411 0.1228 59 PRO L CG 2283 C CD . PRO B 58 ? 0.8976 0.5188 1.0321 -0.0087 -0.0100 0.1172 59 PRO L CD 2284 N N . ASP B 59 ? 1.1782 0.5525 1.1355 -0.0328 -0.0353 0.2844 60 ASP L N 2285 C CA . ASP B 59 ? 1.2560 0.5864 1.1063 -0.0432 -0.0374 0.3319 60 ASP L CA 2286 C C . ASP B 59 ? 1.2471 0.6051 1.0388 -0.0352 -0.0690 0.3323 60 ASP L C 2287 O O . ASP B 59 ? 1.2925 0.6401 0.9929 -0.0471 -0.0633 0.3475 60 ASP L O 2288 C CB . ASP B 59 ? 1.3664 0.6240 1.2070 -0.0391 -0.0505 0.3869 60 ASP L CB 2289 C CG . ASP B 59 ? 1.4561 0.6683 1.3209 -0.0591 -0.0084 0.4023 60 ASP L CG 2290 O OD1 . ASP B 59 ? 1.4847 0.7266 1.3629 -0.0770 0.0295 0.3692 60 ASP L OD1 2291 O OD2 . ASP B 59 ? 1.5207 0.6679 1.3959 -0.0568 -0.0133 0.4494 60 ASP L OD2 2292 N N . HIS B 60 ? 1.1928 0.5888 1.0431 -0.0161 -0.1007 0.3113 61 HIS L N 2293 C CA . HIS B 60 ? 1.1850 0.6073 0.9998 -0.0087 -0.1365 0.3117 61 HIS L CA 2294 C C . HIS B 60 ? 1.1135 0.5823 0.9045 -0.0210 -0.1199 0.2798 61 HIS L C 2295 O O . HIS B 60 ? 1.0998 0.5957 0.8782 -0.0190 -0.1446 0.2715 61 HIS L O 2296 C CB . HIS B 60 ? 1.1689 0.6186 1.0648 0.0157 -0.1754 0.3020 61 HIS L CB 2297 C CG . HIS B 60 ? 1.1064 0.6127 1.0955 0.0225 -0.1602 0.2556 61 HIS L CG 2298 N ND1 . HIS B 60 ? 1.0911 0.6610 1.0946 0.0200 -0.1567 0.2245 61 HIS L ND1 2299 C CD2 . HIS B 60 ? 1.1221 0.6336 1.1934 0.0317 -0.1471 0.2343 61 HIS L CD2 2300 C CE1 . HIS B 60 ? 1.0418 0.6578 1.1225 0.0284 -0.1412 0.1895 61 HIS L CE1 2301 N NE2 . HIS B 60 ? 1.0605 0.6447 1.1841 0.0359 -0.1364 0.1899 61 HIS L NE2 2302 N N . PHE B 61 ? 1.0670 0.5441 0.8590 -0.0334 -0.0788 0.2625 62 PHE L N 2303 C CA . PHE B 61 ? 1.0219 0.5294 0.7843 -0.0440 -0.0594 0.2409 62 PHE L CA 2304 C C . PHE B 61 ? 1.0849 0.5539 0.7561 -0.0601 -0.0419 0.2575 62 PHE L C 2305 O O . PHE B 61 ? 1.1269 0.5592 0.7722 -0.0679 -0.0213 0.2774 62 PHE L O 2306 C CB . PHE B 61 ? 0.9471 0.4956 0.7631 -0.0439 -0.0274 0.2116 62 PHE L CB 2307 C CG . PHE B 61 ? 0.8808 0.4860 0.7708 -0.0296 -0.0387 0.1873 62 PHE L CG 2308 C CD1 . PHE B 61 ? 0.9188 0.5308 0.8731 -0.0158 -0.0547 0.1812 62 PHE L CD1 2309 C CD2 . PHE B 61 ? 0.8083 0.4605 0.7063 -0.0295 -0.0300 0.1710 62 PHE L CD2 2310 C CE1 . PHE B 61 ? 0.8657 0.5380 0.8864 -0.0024 -0.0605 0.1542 62 PHE L CE1 2311 C CE2 . PHE B 61 ? 0.7542 0.4643 0.7142 -0.0176 -0.0349 0.1520 62 PHE L CE2 2312 C CZ . PHE B 61 ? 0.7762 0.5003 0.7953 -0.0043 -0.0493 0.1410 62 PHE L CZ 2313 N N . SER B 62 ? 1.0952 0.5744 0.7224 -0.0660 -0.0482 0.2468 63 SER L N 2314 C CA . SER B 62 ? 1.1574 0.6099 0.6996 -0.0802 -0.0288 0.2504 63 SER L CA 2315 C C . SER B 62 ? 1.1357 0.6098 0.6684 -0.0856 -0.0249 0.2217 63 SER L C 2316 O O . SER B 62 ? 1.1044 0.6062 0.6786 -0.0810 -0.0471 0.2084 63 SER L O 2317 C CB . SER B 62 ? 1.2551 0.6715 0.7195 -0.0815 -0.0545 0.2806 63 SER L CB 2318 O OG . SER B 62 ? 1.2811 0.7138 0.7497 -0.0729 -0.1020 0.2775 63 SER L OG 2319 N N . GLY B 63 ? 1.1690 0.6295 0.6539 -0.0959 0.0067 0.2120 64 GLY L N 2320 C CA . GLY B 63 ? 1.1546 0.6265 0.6378 -0.1003 0.0162 0.1834 64 GLY L CA 2321 C C . GLY B 63 ? 1.2376 0.6845 0.6361 -0.1113 0.0238 0.1720 64 GLY L C 2322 O O . GLY B 63 ? 1.2957 0.7208 0.6307 -0.1170 0.0383 0.1874 64 GLY L O 2323 N N . SER B 64 ? 1.2502 0.7019 0.6515 -0.1153 0.0163 0.1435 65 SER L N 2324 C CA . SER B 64 ? 1.3269 0.7606 0.6577 -0.1252 0.0259 0.1179 65 SER L CA 2325 C C . SER B 64 ? 1.2860 0.7217 0.6600 -0.1266 0.0425 0.0833 65 SER L C 2326 O O . SER B 64 ? 1.2182 0.6692 0.6688 -0.1216 0.0377 0.0844 65 SER L O 2327 C CB . SER B 64 ? 1.4083 0.8384 0.6785 -0.1301 -0.0181 0.1154 65 SER L CB 2328 O OG . SER B 64 ? 1.4078 0.8580 0.7390 -0.1255 -0.0579 0.1206 65 SER L OG 2329 N N . ASN B 65 ? 1.3394 0.7591 0.6638 -0.1327 0.0645 0.0539 66 ASN L N 2330 C CA . ASN B 65 ? 1.3258 0.7377 0.6920 -0.1328 0.0823 0.0178 66 ASN L CA 2331 C C . ASN B 65 ? 1.4091 0.8045 0.7115 -0.1428 0.0846 -0.0272 66 ASN L C 2332 O O . ASN B 65 ? 1.4487 0.8384 0.6986 -0.1431 0.1173 -0.0417 66 ASN L O 2333 C CB . ASN B 65 ? 1.2785 0.6950 0.6897 -0.1211 0.1255 0.0231 66 ASN L CB 2334 C CG . ASN B 65 ? 1.2816 0.6872 0.7534 -0.1153 0.1408 -0.0033 66 ASN L CG 2335 O OD1 . ASN B 65 ? 1.3710 0.7602 0.8537 -0.1236 0.1233 -0.0291 66 ASN L OD1 2336 N ND2 . ASN B 65 ? 1.2184 0.6328 0.7361 -0.1006 0.1724 0.0031 66 ASN L ND2 2337 N N . SER B 66 ? 1.4408 0.8338 0.7527 -0.1518 0.0502 -0.0533 67 SER L N 2338 C CA . SER B 66 ? 1.5320 0.9137 0.7953 -0.1623 0.0463 -0.1083 67 SER L CA 2339 C C . SER B 66 ? 1.5300 0.9010 0.8733 -0.1705 0.0298 -0.1438 67 SER L C 2340 O O . SER B 66 ? 1.4639 0.8415 0.8864 -0.1707 0.0143 -0.1197 67 SER L O 2341 C CB . SER B 66 ? 1.6099 1.0059 0.7718 -0.1693 0.0105 -0.1092 67 SER L CB 2342 O OG . SER B 66 ? 1.5698 0.9829 0.7627 -0.1705 -0.0381 -0.0859 67 SER L OG 2343 N N . GLY B 67 ? 1.6076 0.9630 0.9315 -0.1786 0.0362 -0.2032 68 GLY L N 2344 C CA . GLY B 67 ? 1.6239 0.9627 1.0250 -0.1909 0.0213 -0.2467 68 GLY L CA 2345 C C . GLY B 67 ? 1.5457 0.8685 1.0638 -0.1853 0.0378 -0.2152 68 GLY L C 2346 O O . GLY B 67 ? 1.5241 0.8459 1.1166 -0.1972 0.0161 -0.2161 68 GLY L O 2347 N N . ASN B 68 ? 1.5117 0.8278 1.0441 -0.1671 0.0768 -0.1849 69 ASN L N 2348 C CA . ASN B 68 ? 1.4518 0.7577 1.0814 -0.1560 0.0960 -0.1492 69 ASN L CA 2349 C C . ASN B 68 ? 1.3962 0.7285 1.0690 -0.1596 0.0710 -0.1026 69 ASN L C 2350 O O . ASN B 68 ? 1.3642 0.6890 1.1214 -0.1605 0.0758 -0.0837 69 ASN L O 2351 C CB . ASN B 68 ? 1.4893 0.7529 1.1956 -0.1597 0.1105 -0.1860 69 ASN L CB 2352 C CG . ASN B 68 ? 1.5474 0.7872 1.2294 -0.1492 0.1432 -0.2309 69 ASN L CG 2353 O OD1 . ASN B 68 ? 1.5376 0.7962 1.1557 -0.1374 0.1627 -0.2249 69 ASN L OD1 2354 N ND2 . ASN B 68 ? 1.6058 0.8044 1.3465 -0.1543 0.1519 -0.2785 69 ASN L ND2 2355 N N . MET B 69 ? 1.3907 0.7541 1.0058 -0.1608 0.0469 -0.0826 70 MET L N 2356 C CA . MET B 69 ? 1.3316 0.7268 0.9841 -0.1615 0.0231 -0.0434 70 MET L CA 2357 C C . MET B 69 ? 1.2963 0.7173 0.8944 -0.1503 0.0170 -0.0095 70 MET L C 2358 O O . MET B 69 ? 1.3384 0.7652 0.8675 -0.1545 -0.0070 -0.0154 70 MET L O 2359 C CB . MET B 69 ? 1.3698 0.7750 1.0406 -0.1815 -0.0180 -0.0685 70 MET L CB 2360 C CG . MET B 69 ? 1.3346 0.7784 1.0555 -0.1826 -0.0421 -0.0349 70 MET L CG 2361 S SD . MET B 69 ? 1.4315 0.8967 1.1849 -0.2062 -0.0929 -0.0709 70 MET L SD 2362 C CE . MET B 69 ? 1.4883 0.9628 1.1190 -0.2016 -0.1296 -0.0886 70 MET L CE 2363 N N . ALA B 70 ? 1.2231 0.6595 0.8549 -0.1354 0.0382 0.0262 71 ALA L N 2364 C CA . ALA B 70 ? 1.1790 0.6377 0.7800 -0.1255 0.0352 0.0561 71 ALA L CA 2365 C C . ALA B 70 ? 1.1429 0.6292 0.7687 -0.1281 -0.0007 0.0726 71 ALA L C 2366 O O . ALA B 70 ? 1.1285 0.6274 0.8120 -0.1352 -0.0142 0.0689 71 ALA L O 2367 C CB . ALA B 70 ? 1.1211 0.5953 0.7579 -0.1089 0.0667 0.0794 71 ALA L CB 2368 N N . THR B 71 ? 1.1415 0.6365 0.7291 -0.1223 -0.0143 0.0910 72 THR L N 2369 C CA . THR B 71 ? 1.1137 0.6358 0.7297 -0.1195 -0.0485 0.1067 72 THR L CA 2370 C C . THR B 71 ? 1.0808 0.6126 0.6945 -0.1061 -0.0441 0.1340 72 THR L C 2371 O O . THR B 71 ? 1.1252 0.6350 0.6789 -0.1050 -0.0407 0.1438 72 THR L O 2372 C CB . THR B 71 ? 1.1768 0.6939 0.7474 -0.1276 -0.0903 0.0940 72 THR L CB 2373 O OG1 . THR B 71 ? 1.2447 0.7322 0.7237 -0.1311 -0.0823 0.0856 72 THR L OG1 2374 C CG2 . THR B 71 ? 1.2082 0.7338 0.8224 -0.1422 -0.1074 0.0642 72 THR L CG2 2375 N N . LEU B 72 ? 1.0056 0.5717 0.6879 -0.0971 -0.0418 0.1448 73 LEU L N 2376 C CA . LEU B 72 ? 0.9664 0.5469 0.6656 -0.0843 -0.0434 0.1623 73 LEU L CA 2377 C C . LEU B 72 ? 0.9777 0.5681 0.6901 -0.0805 -0.0846 0.1686 73 LEU L C 2378 O O . LEU B 72 ? 0.9586 0.5810 0.7236 -0.0811 -0.1030 0.1612 73 LEU L O 2379 C CB . LEU B 72 ? 0.8955 0.5171 0.6598 -0.0741 -0.0222 0.1639 73 LEU L CB 2380 C CG . LEU B 72 ? 0.8589 0.5003 0.6526 -0.0611 -0.0243 0.1706 73 LEU L CG 2381 C CD1 . LEU B 72 ? 0.8779 0.4863 0.6307 -0.0620 -0.0079 0.1767 73 LEU L CD1 2382 C CD2 . LEU B 72 ? 0.7938 0.4883 0.6462 -0.0507 -0.0071 0.1653 73 LEU L CD2 2383 N N . THR B 73 ? 1.0208 0.5842 0.6889 -0.0760 -0.0977 0.1850 74 THR L N 2384 C CA . THR B 73 ? 1.0491 0.6163 0.7260 -0.0670 -0.1404 0.1972 74 THR L CA 2385 C C . THR B 73 ? 1.0154 0.5936 0.7490 -0.0511 -0.1391 0.2092 74 THR L C 2386 O O . THR B 73 ? 1.0208 0.5758 0.7418 -0.0494 -0.1151 0.2202 74 THR L O 2387 C CB . THR B 73 ? 1.1374 0.6641 0.7238 -0.0695 -0.1595 0.2149 74 THR L CB 2388 O OG1 . THR B 73 ? 1.1813 0.6968 0.7075 -0.0850 -0.1521 0.1950 74 THR L OG1 2389 C CG2 . THR B 73 ? 1.1745 0.7108 0.7700 -0.0573 -0.2125 0.2278 74 THR L CG2 2390 N N . ILE B 74 ? 0.9862 0.6030 0.7903 -0.0403 -0.1635 0.2023 75 ILE L N 2391 C CA . ILE B 74 ? 0.9705 0.5998 0.8369 -0.0224 -0.1678 0.2065 75 ILE L CA 2392 C C . ILE B 74 ? 1.0303 0.6495 0.9065 -0.0077 -0.2148 0.2230 75 ILE L C 2393 O O . ILE B 74 ? 1.0121 0.6738 0.9536 0.0024 -0.2406 0.2109 75 ILE L O 2394 C CB . ILE B 74 ? 0.8943 0.5859 0.8451 -0.0165 -0.1532 0.1822 75 ILE L CB 2395 C CG1 . ILE B 74 ? 0.8524 0.5579 0.7903 -0.0274 -0.1115 0.1720 75 ILE L CG1 2396 C CG2 . ILE B 74 ? 0.8800 0.5843 0.8945 0.0026 -0.1542 0.1769 75 ILE L CG2 2397 C CD1 . ILE B 74 ? 0.7586 0.5302 0.7638 -0.0222 -0.0952 0.1545 75 ILE L CD1 2398 N N . SER B 75 ? 1.1117 0.6768 0.9236 -0.0059 -0.2245 0.2533 76 SER L N 2399 C CA . SER B 75 ? 1.1849 0.7324 0.9981 0.0126 -0.2708 0.2800 76 SER L CA 2400 C C . SER B 75 ? 1.1542 0.7145 1.0670 0.0342 -0.2755 0.2761 76 SER L C 2401 O O . SER B 75 ? 1.1169 0.6793 1.0703 0.0328 -0.2396 0.2614 76 SER L O 2402 C CB . SER B 75 ? 1.2764 0.7593 0.9951 0.0101 -0.2717 0.3223 76 SER L CB 2403 O OG . SER B 75 ? 1.3296 0.8018 0.9550 -0.0111 -0.2549 0.3181 76 SER L OG 2404 N N . LYS B 76 ? 1.1785 0.7517 1.1348 0.0558 -0.3216 0.2849 77 LYS L N 2405 C CA . LYS B 76 ? 1.1667 0.7412 1.2181 0.0811 -0.3306 0.2835 77 LYS L CA 2406 C C . LYS B 76 ? 1.0613 0.6850 1.1906 0.0781 -0.2922 0.2388 77 LYS L C 2407 O O . LYS B 76 ? 1.0433 0.6476 1.2015 0.0799 -0.2635 0.2315 77 LYS L O 2408 C CB . LYS B 76 ? 1.2408 0.7375 1.2625 0.0872 -0.3244 0.3249 77 LYS L CB 2409 C CG . LYS B 76 ? 1.3530 0.7998 1.2632 0.0835 -0.3485 0.3753 77 LYS L CG 2410 C CD . LYS B 76 ? 1.4471 0.8156 1.3345 0.0893 -0.3398 0.4251 77 LYS L CD 2411 C CE . LYS B 76 ? 1.5892 0.9193 1.3776 0.0974 -0.3787 0.4830 77 LYS L CE 2412 N NZ . LYS B 76 ? 1.7061 0.9595 1.4938 0.1118 -0.3818 0.5434 77 LYS L NZ 2413 N N . ALA B 77 ? 0.9978 0.6889 1.1615 0.0728 -0.2926 0.2087 78 ALA L N 2414 C CA . ALA B 77 ? 0.9185 0.6665 1.1348 0.0671 -0.2534 0.1707 78 ALA L CA 2415 C C . ALA B 77 ? 0.8946 0.6760 1.2135 0.0908 -0.2516 0.1441 78 ALA L C 2416 O O . ALA B 77 ? 0.9210 0.7235 1.3065 0.1118 -0.2844 0.1399 78 ALA L O 2417 C CB . ALA B 77 ? 0.8834 0.6906 1.1088 0.0529 -0.2518 0.1535 78 ALA L CB 2418 N N . GLN B 78 ? 0.8618 0.6528 1.1961 0.0881 -0.2136 0.1215 79 GLN L N 2419 C CA . GLN B 78 ? 0.8435 0.6751 1.2736 0.1084 -0.2046 0.0832 79 GLN L CA 2420 C C . GLN B 78 ? 0.7690 0.6916 1.2295 0.1040 -0.1756 0.0463 79 GLN L C 2421 O O . GLN B 78 ? 0.7465 0.6900 1.1552 0.0843 -0.1598 0.0556 79 GLN L O 2422 C CB . GLN B 78 ? 0.8654 0.6516 1.2994 0.1089 -0.1839 0.0763 79 GLN L CB 2423 C CG . GLN B 78 ? 0.9781 0.6721 1.3964 0.1147 -0.2070 0.1170 79 GLN L CG 2424 C CD . GLN B 78 ? 1.0377 0.6846 1.4627 0.1072 -0.1801 0.1114 79 GLN L CD 2425 O OE1 . GLN B 78 ? 1.0419 0.7117 1.4399 0.0899 -0.1464 0.0909 79 GLN L OE1 2426 N NE2 . GLN B 78 ? 1.1034 0.6846 1.5707 0.1204 -0.1957 0.1306 79 GLN L NE2 2427 N N . ALA B 79 ? 0.7402 0.7154 1.2858 0.1231 -0.1669 0.0047 80 ALA L N 2428 C CA . ALA B 79 ? 0.6870 0.7592 1.2640 0.1224 -0.1373 -0.0308 80 ALA L CA 2429 C C . ALA B 79 ? 0.6622 0.7499 1.1878 0.1097 -0.0998 -0.0420 80 ALA L C 2430 O O . ALA B 79 ? 0.6312 0.7899 1.1467 0.1038 -0.0723 -0.0542 80 ALA L O 2431 C CB . ALA B 79 ? 0.6801 0.8093 1.3639 0.1492 -0.1394 -0.0774 80 ALA L CB 2432 N N . GLY B 80 ? 0.6816 0.7041 1.1769 0.1060 -0.0993 -0.0346 81 GLY L N 2433 C CA . GLY B 80 ? 0.6611 0.6969 1.1172 0.0962 -0.0694 -0.0482 81 GLY L CA 2434 C C . GLY B 80 ? 0.6610 0.6654 1.0269 0.0742 -0.0605 -0.0079 81 GLY L C 2435 O O . GLY B 80 ? 0.6484 0.6576 0.9758 0.0660 -0.0389 -0.0112 81 GLY L O 2436 N N . ASP B 81 ? 0.6802 0.6550 1.0183 0.0662 -0.0793 0.0261 82 ASP L N 2437 C CA . ASP B 81 ? 0.6832 0.6276 0.9427 0.0458 -0.0722 0.0590 82 ASP L CA 2438 C C . ASP B 81 ? 0.6530 0.6593 0.9141 0.0395 -0.0577 0.0599 82 ASP L C 2439 O O . ASP B 81 ? 0.6528 0.6448 0.8630 0.0240 -0.0467 0.0817 82 ASP L O 2440 C CB . ASP B 81 ? 0.7257 0.5990 0.9484 0.0389 -0.1020 0.0916 82 ASP L CB 2441 C CG . ASP B 81 ? 0.7719 0.5796 0.9905 0.0444 -0.1131 0.1014 82 ASP L CG 2442 O OD1 . ASP B 81 ? 0.7471 0.5402 0.9540 0.0399 -0.0899 0.0935 82 ASP L OD1 2443 O OD2 . ASP B 81 ? 0.8219 0.5942 1.0528 0.0534 -0.1453 0.1188 82 ASP L OD2 2444 N N . GLU B 82 ? 0.6371 0.7125 0.9632 0.0518 -0.0548 0.0351 83 GLU L N 2445 C CA . GLU B 82 ? 0.6224 0.7650 0.9612 0.0451 -0.0354 0.0375 83 GLU L CA 2446 C C . GLU B 82 ? 0.5926 0.7670 0.8888 0.0421 -0.0015 0.0406 83 GLU L C 2447 O O . GLU B 82 ? 0.5843 0.8136 0.8970 0.0560 0.0147 0.0124 83 GLU L O 2448 C CB . GLU B 82 ? 0.6216 0.8396 1.0436 0.0603 -0.0352 0.0064 83 GLU L CB 2449 C CG . GLU B 82 ? 0.6473 0.9443 1.0876 0.0518 -0.0071 0.0102 83 GLU L CG 2450 C CD . GLU B 82 ? 0.7173 1.0700 1.2441 0.0582 -0.0164 -0.0090 83 GLU L CD 2451 O OE1 . GLU B 82 ? 0.7627 1.0983 1.3395 0.0751 -0.0463 -0.0293 83 GLU L OE1 2452 O OE2 . GLU B 82 ? 0.7417 1.1557 1.2917 0.0465 0.0072 -0.0018 83 GLU L OE2 2453 N N . ALA B 83 ? 0.5865 0.7271 0.8289 0.0259 0.0070 0.0728 84 ALA L N 2454 C CA . ALA B 83 ? 0.5744 0.7377 0.7743 0.0259 0.0352 0.0839 84 ALA L CA 2455 C C . ALA B 83 ? 0.5918 0.7242 0.7555 0.0088 0.0456 0.1213 84 ALA L C 2456 O O . ALA B 83 ? 0.6059 0.7085 0.7813 -0.0061 0.0332 0.1336 84 ALA L O 2457 C CB . ALA B 83 ? 0.5606 0.6923 0.7312 0.0327 0.0337 0.0716 84 ALA L CB 2458 N N . ASP B 84 ? 0.5964 0.7383 0.7221 0.0125 0.0667 0.1362 85 ASP L N 2459 C CA . ASP B 84 ? 0.6214 0.7241 0.7161 0.0000 0.0780 0.1707 85 ASP L CA 2460 C C . ASP B 84 ? 0.6251 0.6585 0.6768 -0.0020 0.0702 0.1711 85 ASP L C 2461 O O . ASP B 84 ? 0.6196 0.6599 0.6571 0.0098 0.0712 0.1555 85 ASP L O 2462 C CB . ASP B 84 ? 0.6348 0.7924 0.7181 0.0087 0.1069 0.1950 85 ASP L CB 2463 C CG . ASP B 84 ? 0.6786 0.8934 0.7989 0.0024 0.1236 0.2089 85 ASP L CG 2464 O OD1 . ASP B 84 ? 0.7187 0.9195 0.8786 -0.0131 0.1124 0.2028 85 ASP L OD1 2465 O OD2 . ASP B 84 ? 0.7154 0.9937 0.8252 0.0131 0.1483 0.2269 85 ASP L OD2 2466 N N . TYR B 85 ? 0.6367 0.6078 0.6724 -0.0183 0.0638 0.1849 86 TYR L N 2467 C CA . TYR B 85 ? 0.6442 0.5505 0.6369 -0.0222 0.0600 0.1836 86 TYR L CA 2468 C C . TYR B 85 ? 0.6659 0.5400 0.6409 -0.0280 0.0763 0.2043 86 TYR L C 2469 O O . TYR B 85 ? 0.6834 0.5366 0.6731 -0.0426 0.0758 0.2148 86 TYR L O 2470 C CB . TYR B 85 ? 0.6559 0.5119 0.6370 -0.0339 0.0335 0.1726 86 TYR L CB 2471 C CG . TYR B 85 ? 0.6395 0.5129 0.6415 -0.0248 0.0162 0.1558 86 TYR L CG 2472 C CD1 . TYR B 85 ? 0.6069 0.5251 0.6594 -0.0208 0.0049 0.1477 86 TYR L CD1 2473 C CD2 . TYR B 85 ? 0.6029 0.4475 0.5832 -0.0204 0.0136 0.1475 86 TYR L CD2 2474 C CE1 . TYR B 85 ? 0.5776 0.5078 0.6593 -0.0093 -0.0110 0.1301 86 TYR L CE1 2475 C CE2 . TYR B 85 ? 0.5554 0.4071 0.5648 -0.0119 -0.0011 0.1338 86 TYR L CE2 2476 C CZ . TYR B 85 ? 0.5582 0.4509 0.6189 -0.0047 -0.0147 0.1242 86 TYR L CZ 2477 O OH . TYR B 85 ? 0.5201 0.4161 0.6193 0.0069 -0.0297 0.1082 86 TYR L OH 2478 N N . TYR B 86 ? 0.6610 0.5323 0.6133 -0.0159 0.0902 0.2072 87 TYR L N 2479 C CA . TYR B 86 ? 0.6810 0.5161 0.6206 -0.0160 0.1053 0.2237 87 TYR L CA 2480 C C . TYR B 86 ? 0.6980 0.4794 0.6037 -0.0201 0.1038 0.2066 87 TYR L C 2481 O O . TYR B 86 ? 0.6868 0.4788 0.5797 -0.0130 0.1039 0.1923 87 TYR L O 2482 C CB . TYR B 86 ? 0.6680 0.5502 0.6127 0.0059 0.1231 0.2437 87 TYR L CB 2483 C CG . TYR B 86 ? 0.6599 0.6060 0.6272 0.0118 0.1300 0.2636 87 TYR L CG 2484 C CD1 . TYR B 86 ? 0.6571 0.6679 0.6317 0.0205 0.1243 0.2453 87 TYR L CD1 2485 C CD2 . TYR B 86 ? 0.6859 0.6276 0.6703 0.0077 0.1452 0.2994 87 TYR L CD2 2486 C CE1 . TYR B 86 ? 0.6318 0.7093 0.6229 0.0262 0.1345 0.2597 87 TYR L CE1 2487 C CE2 . TYR B 86 ? 0.6867 0.6917 0.6881 0.0112 0.1571 0.3215 87 TYR L CE2 2488 C CZ . TYR B 86 ? 0.6394 0.7159 0.6403 0.0211 0.1522 0.3001 87 TYR L CZ 2489 O OH . TYR B 86 ? 0.7176 0.8651 0.7314 0.0251 0.1677 0.3178 87 TYR L OH 2490 N N . CYS B 87 ? 0.7399 0.4661 0.6346 -0.0333 0.1044 0.2053 88 CYS L N 2491 C CA . CYS B 87 ? 0.7767 0.4574 0.6378 -0.0349 0.1118 0.1898 88 CYS L CA 2492 C C . CYS B 87 ? 0.7750 0.4628 0.6502 -0.0167 0.1336 0.2016 88 CYS L C 2493 O O . CYS B 87 ? 0.7607 0.4791 0.6645 -0.0047 0.1403 0.2266 88 CYS L O 2494 C CB . CYS B 87 ? 0.8258 0.4504 0.6681 -0.0543 0.1036 0.1752 88 CYS L CB 2495 S SG . CYS B 87 ? 0.9034 0.5041 0.7892 -0.0618 0.1113 0.1864 88 CYS L SG 2496 N N . GLN B 88 ? 0.7938 0.4560 0.6486 -0.0136 0.1451 0.1853 89 GLN L N 2497 C CA . GLN B 88 ? 0.7912 0.4668 0.6651 0.0083 0.1633 0.1923 89 GLN L CA 2498 C C . GLN B 88 ? 0.8190 0.4519 0.6754 0.0057 0.1783 0.1680 89 GLN L C 2499 O O . GLN B 88 ? 0.8319 0.4417 0.6505 -0.0107 0.1772 0.1462 89 GLN L O 2500 C CB . GLN B 88 ? 0.7511 0.4922 0.6356 0.0253 0.1628 0.1937 89 GLN L CB 2501 C CG . GLN B 88 ? 0.7442 0.5141 0.6525 0.0516 0.1755 0.1999 89 GLN L CG 2502 C CD . GLN B 88 ? 0.7555 0.5226 0.6599 0.0516 0.1878 0.1710 89 GLN L CD 2503 O OE1 . GLN B 88 ? 0.7383 0.5366 0.6416 0.0464 0.1853 0.1543 89 GLN L OE1 2504 N NE2 . GLN B 88 ? 0.7714 0.5017 0.6811 0.0566 0.2038 0.1632 89 GLN L NE2 2505 N N . SER B 89 ? 0.8358 0.4603 0.7202 0.0239 0.1933 0.1736 90 SER L N 2506 C CA . SER B 89 ? 0.8757 0.4618 0.7530 0.0243 0.2115 0.1458 90 SER L CA 2507 C C . SER B 89 ? 0.8842 0.4776 0.8075 0.0538 0.2270 0.1538 90 SER L C 2508 O O . SER B 89 ? 0.8503 0.4931 0.8014 0.0769 0.2230 0.1795 90 SER L O 2509 C CB . SER B 89 ? 0.9228 0.4476 0.7813 0.0029 0.2087 0.1269 90 SER L CB 2510 O OG . SER B 89 ? 0.9945 0.4902 0.8305 -0.0005 0.2266 0.0907 90 SER L OG 2511 N N . TRP B 90 ? 0.9307 0.4770 0.8615 0.0545 0.2431 0.1292 91 TRP L N 2512 C CA . TRP B 90 ? 0.9550 0.5024 0.9354 0.0850 0.2593 0.1296 91 TRP L CA 2513 C C . TRP B 90 ? 1.0357 0.5153 1.0459 0.0866 0.2689 0.1189 91 TRP L C 2514 O O . TRP B 90 ? 1.0820 0.5194 1.0671 0.0671 0.2776 0.0776 91 TRP L O 2515 C CB . TRP B 90 ? 0.9425 0.5163 0.9167 0.0894 0.2782 0.0953 91 TRP L CB 2516 C CG . TRP B 90 ? 0.9491 0.5168 0.9765 0.1181 0.2975 0.0815 91 TRP L CG 2517 C CD1 . TRP B 90 ? 0.9974 0.5179 1.0312 0.1163 0.3189 0.0428 91 TRP L CD1 2518 C CD2 . TRP B 90 ? 0.9377 0.5523 1.0233 0.1561 0.2956 0.1035 91 TRP L CD2 2519 N NE1 . TRP B 90 ? 1.0157 0.5471 1.1157 0.1516 0.3324 0.0390 91 TRP L NE1 2520 C CE2 . TRP B 90 ? 0.9961 0.5857 1.1287 0.1774 0.3165 0.0786 91 TRP L CE2 2521 C CE3 . TRP B 90 ? 0.9009 0.5814 1.0035 0.1761 0.2766 0.1389 91 TRP L CE3 2522 C CZ2 . TRP B 90 ? 1.0296 0.6559 1.2299 0.2198 0.3166 0.0929 91 TRP L CZ2 2523 C CZ3 . TRP B 90 ? 0.9225 0.6436 1.0834 0.2170 0.2750 0.1526 91 TRP L CZ3 2524 C CH2 . TRP B 90 ? 0.9945 0.6876 1.2060 0.2395 0.2939 0.1320 91 TRP L CH2 2525 N N . ASP B 91 ? 1.0639 0.5340 1.1280 0.1104 0.2673 0.1567 92 ASP L N 2526 C CA . ASP B 91 ? 1.1433 0.5438 1.2555 0.1162 0.2784 0.1496 92 ASP L CA 2527 C C . ASP B 91 ? 1.1801 0.5777 1.3303 0.1450 0.2983 0.1215 92 ASP L C 2528 O O . ASP B 91 ? 1.1585 0.6028 1.3397 0.1785 0.2982 0.1450 92 ASP L O 2529 C CB . ASP B 91 ? 1.1663 0.5510 1.3261 0.1301 0.2718 0.2099 92 ASP L CB 2530 C CG . ASP B 91 ? 1.2631 0.5642 1.4828 0.1306 0.2839 0.2027 92 ASP L CG 2531 O OD1 . ASP B 91 ? 1.3179 0.5716 1.5266 0.1005 0.2865 0.1547 92 ASP L OD1 2532 O OD2 . ASP B 91 ? 1.3226 0.6052 1.6025 0.1621 0.2897 0.2437 92 ASP L OD2 2533 N N . GLY B 92 ? 1.2387 0.5876 1.3872 0.1324 0.3144 0.0665 93 GLY L N 2534 C CA . GLY B 92 ? 1.2767 0.6238 1.4615 0.1566 0.3384 0.0270 93 GLY L CA 2535 C C . GLY B 92 ? 1.3484 0.6309 1.6146 0.1798 0.3480 0.0254 93 GLY L C 2536 O O . GLY B 92 ? 1.4029 0.6651 1.7049 0.1951 0.3701 -0.0223 93 GLY L O 2537 N N . THR B 93 ? 1.3636 0.6126 1.6630 0.1818 0.3338 0.0775 94 THR L N 2538 C CA . THR B 93 ? 1.4405 0.6211 1.8287 0.2054 0.3421 0.0912 94 THR L CA 2539 C C . THR B 93 ? 1.4377 0.6566 1.8722 0.2529 0.3356 0.1559 94 THR L C 2540 O O . THR B 93 ? 1.4663 0.6957 1.9526 0.2911 0.3460 0.1424 94 THR L O 2541 C CB . THR B 93 ? 1.4716 0.5887 1.8770 0.1768 0.3340 0.1145 94 THR L CB 2542 O OG1 . THR B 93 ? 1.4941 0.5726 1.8716 0.1382 0.3378 0.0436 94 THR L OG1 2543 C CG2 . THR B 93 ? 1.5437 0.5929 2.0500 0.2050 0.3422 0.1530 94 THR L CG2 2544 N N . ASN B 94 ? 1.4147 0.6582 1.8314 0.2514 0.3178 0.2252 95 ASN L N 2545 C CA . ASN B 94 ? 1.3829 0.7034 1.7980 0.2877 0.3037 0.2800 95 ASN L CA 2546 C C . ASN B 94 ? 1.3125 0.7102 1.6701 0.2773 0.3012 0.2367 95 ASN L C 2547 O O . ASN B 94 ? 1.3109 0.6964 1.6227 0.2410 0.3094 0.1823 95 ASN L O 2548 C CB . ASN B 94 ? 1.3707 0.7108 1.7603 0.2805 0.2882 0.3533 95 ASN L CB 2549 C CG . ASN B 94 ? 1.4529 0.7058 1.8765 0.2576 0.2964 0.3769 95 ASN L CG 2550 O OD1 . ASN B 94 ? 1.5301 0.7457 2.0092 0.2818 0.2997 0.4379 95 ASN L OD1 2551 N ND2 . ASN B 94 ? 1.4392 0.6590 1.8345 0.2106 0.2996 0.3291 95 ASN L ND2 2552 N N . SER B 95 A 1.2701 0.7469 1.6344 0.3102 0.2898 0.2603 95 SER L N 2553 C CA . SER B 95 A 1.1914 0.7473 1.5132 0.2999 0.2871 0.2251 95 SER L CA 2554 C C . SER B 95 A 1.1219 0.7422 1.3961 0.2929 0.2640 0.2662 95 SER L C 2555 O O . SER B 95 A 1.1126 0.8004 1.4022 0.3262 0.2473 0.3012 95 SER L O 2556 C CB . SER B 95 A 1.1938 0.8025 1.5706 0.3398 0.2918 0.2058 95 SER L CB 2557 O OG . SER B 95 A 1.2616 0.8106 1.6944 0.3533 0.3146 0.1699 95 SER L OG 2558 N N . ALA B 96 B 1.0718 0.6746 1.2894 0.2509 0.2619 0.2584 95 ALA L N 2559 C CA . ALA B 96 B 1.0188 0.6754 1.1949 0.2417 0.2428 0.2930 95 ALA L CA 2560 C C . ALA B 96 B 0.9701 0.6249 1.0886 0.1974 0.2411 0.2619 95 ALA L C 2561 O O . ALA B 96 B 0.9785 0.5751 1.0805 0.1691 0.2517 0.2274 95 ALA L O 2562 C CB . ALA B 96 B 1.0489 0.6781 1.2381 0.2504 0.2376 0.3563 95 ALA L CB 2563 N N . TRP B 97 ? 0.9182 0.6409 1.0073 0.1941 0.2257 0.2735 96 TRP L N 2564 C CA . TRP B 97 ? 0.8816 0.6063 0.9233 0.1575 0.2198 0.2548 96 TRP L CA 2565 C C . TRP B 97 ? 0.8884 0.5963 0.9201 0.1449 0.2124 0.2923 96 TRP L C 2566 O O . TRP B 97 ? 0.8952 0.6337 0.9401 0.1659 0.2076 0.3386 96 TRP L O 2567 C CB . TRP B 97 ? 0.8291 0.6328 0.8558 0.1589 0.2091 0.2389 96 TRP L CB 2568 C CG . TRP B 97 ? 0.8291 0.6481 0.8699 0.1613 0.2207 0.1979 96 TRP L CG 2569 C CD1 . TRP B 97 ? 0.8452 0.6396 0.8612 0.1326 0.2327 0.1598 96 TRP L CD1 2570 C CD2 . TRP B 97 ? 0.8189 0.6851 0.9050 0.1941 0.2230 0.1933 96 TRP L CD2 2571 N NE1 . TRP B 97 ? 0.8380 0.6613 0.8826 0.1424 0.2473 0.1315 96 TRP L NE1 2572 C CE2 . TRP B 97 ? 0.8200 0.6899 0.9125 0.1804 0.2402 0.1480 96 TRP L CE2 2573 C CE3 . TRP B 97 ? 0.8598 0.7692 0.9824 0.2351 0.2114 0.2254 96 TRP L CE3 2574 C CZ2 . TRP B 97 ? 0.8425 0.7613 0.9861 0.2043 0.2475 0.1285 96 TRP L CZ2 2575 C CZ3 . TRP B 97 ? 0.8748 0.8325 1.0452 0.2625 0.2131 0.2068 96 TRP L CZ3 2576 C CH2 . TRP B 97 ? 0.8665 0.8304 1.0517 0.2461 0.2316 0.1560 96 TRP L CH2 2577 N N . VAL B 98 ? 0.8840 0.5473 0.8924 0.1105 0.2121 0.2724 97 VAL L N 2578 C CA . VAL B 98 ? 0.8936 0.5356 0.9043 0.0929 0.2079 0.2997 97 VAL L CA 2579 C C . VAL B 98 ? 0.8498 0.5138 0.8268 0.0659 0.1947 0.2829 97 VAL L C 2580 O O . VAL B 98 ? 0.8481 0.5018 0.7967 0.0500 0.1905 0.2452 97 VAL L O 2581 C CB . VAL B 98 ? 0.9510 0.5087 0.9861 0.0773 0.2176 0.2898 97 VAL L CB 2582 C CG1 . VAL B 98 ? 1.0038 0.5438 1.0664 0.0658 0.2186 0.3302 97 VAL L CG1 2583 C CG2 . VAL B 98 ? 0.9989 0.5243 1.0700 0.1035 0.2318 0.2865 97 VAL L CG2 2584 N N . PHE B 99 ? 0.8320 0.5273 0.8142 0.0623 0.1898 0.3141 98 PHE L N 2585 C CA . PHE B 99 ? 0.7906 0.5099 0.7541 0.0400 0.1768 0.3006 98 PHE L CA 2586 C C . PHE B 99 ? 0.8099 0.4858 0.7917 0.0131 0.1755 0.3046 98 PHE L C 2587 O O . PHE B 99 ? 0.8550 0.4863 0.8683 0.0108 0.1870 0.3233 98 PHE L O 2588 C CB . PHE B 99 ? 0.7513 0.5522 0.7119 0.0546 0.1731 0.3224 98 PHE L CB 2589 C CG . PHE B 99 ? 0.7241 0.5787 0.6707 0.0755 0.1680 0.3048 98 PHE L CG 2590 C CD1 . PHE B 99 ? 0.7512 0.6512 0.7049 0.1066 0.1715 0.3289 98 PHE L CD1 2591 C CD2 . PHE B 99 ? 0.7144 0.5744 0.6453 0.0640 0.1588 0.2650 98 PHE L CD2 2592 C CE1 . PHE B 99 ? 0.7049 0.6616 0.6549 0.1241 0.1641 0.3058 98 PHE L CE1 2593 C CE2 . PHE B 99 ? 0.6922 0.6009 0.6228 0.0790 0.1559 0.2451 98 PHE L CE2 2594 C CZ . PHE B 99 ? 0.6609 0.6213 0.6033 0.1084 0.1577 0.2618 98 PHE L CZ 2595 N N . GLY B 100 ? 0.7774 0.4672 0.7469 -0.0067 0.1604 0.2851 99 GLY L N 2596 C CA . GLY B 100 ? 0.7930 0.4589 0.7865 -0.0332 0.1540 0.2836 99 GLY L CA 2597 C C . GLY B 100 ? 0.7901 0.5060 0.8144 -0.0331 0.1622 0.3199 99 GLY L C 2598 O O . GLY B 100 ? 0.7786 0.5533 0.7932 -0.0120 0.1690 0.3412 99 GLY L O 2599 N N . SER B 101 ? 0.8058 0.5040 0.8686 -0.0577 0.1622 0.3239 100 SER L N 2600 C CA . SER B 101 ? 0.8070 0.5530 0.9057 -0.0629 0.1764 0.3597 100 SER L CA 2601 C C . SER B 101 ? 0.7608 0.5811 0.8459 -0.0580 0.1654 0.3469 100 SER L C 2602 O O . SER B 101 ? 0.7653 0.6486 0.8604 -0.0502 0.1804 0.3736 100 SER L O 2603 C CB . SER B 101 ? 0.8459 0.5575 1.0020 -0.0953 0.1793 0.3599 100 SER L CB 2604 O OG . SER B 101 ? 0.8545 0.5768 1.0166 -0.1148 0.1532 0.3194 100 SER L OG 2605 N N . GLY B 102 ? 0.7358 0.5478 0.7981 -0.0617 0.1403 0.3057 101 GLY L N 2606 C CA . GLY B 102 ? 0.7004 0.5712 0.7575 -0.0554 0.1268 0.2872 101 GLY L CA 2607 C C . GLY B 102 ? 0.6920 0.5767 0.7873 -0.0754 0.1104 0.2703 101 GLY L C 2608 O O . GLY B 102 ? 0.7265 0.6083 0.8667 -0.0947 0.1184 0.2826 101 GLY L O 2609 N N . THR B 103 ? 0.6603 0.5606 0.7447 -0.0700 0.0869 0.2420 102 THR L N 2610 C CA . THR B 103 ? 0.6582 0.5766 0.7809 -0.0825 0.0644 0.2230 102 THR L CA 2611 C C . THR B 103 ? 0.6321 0.6154 0.7719 -0.0660 0.0601 0.2103 102 THR L C 2612 O O . THR B 103 ? 0.6269 0.6128 0.7364 -0.0486 0.0556 0.1986 102 THR L O 2613 C CB . THR B 103 ? 0.6741 0.5361 0.7700 -0.0913 0.0310 0.1985 102 THR L CB 2614 O OG1 . THR B 103 ? 0.7055 0.5102 0.7885 -0.1073 0.0344 0.1995 102 THR L OG1 2615 C CG2 . THR B 103 ? 0.6649 0.5527 0.8042 -0.0996 0.0017 0.1808 102 THR L CG2 2616 N N . LYS B 104 ? 0.6272 0.6642 0.8241 -0.0727 0.0632 0.2089 103 LYS L N 2617 C CA . LYS B 104 ? 0.6037 0.7062 0.8302 -0.0568 0.0592 0.1891 103 LYS L CA 2618 C C . LYS B 104 ? 0.6044 0.6905 0.8559 -0.0578 0.0201 0.1632 103 LYS L C 2619 O O . LYS B 104 ? 0.6078 0.6956 0.9019 -0.0740 0.0051 0.1593 103 LYS L O 2620 C CB . LYS B 104 ? 0.6028 0.7836 0.8808 -0.0610 0.0882 0.2003 103 LYS L CB 2621 C CG . LYS B 104 ? 0.6183 0.8772 0.9193 -0.0399 0.0939 0.1761 103 LYS L CG 2622 C CD . LYS B 104 ? 0.6770 1.0204 1.0283 -0.0461 0.1266 0.1859 103 LYS L CD 2623 C CE . LYS B 104 ? 0.6887 1.1170 1.0571 -0.0225 0.1366 0.1546 103 LYS L CE 2624 N NZ . LYS B 104 ? 0.6962 1.2169 1.1051 -0.0278 0.1752 0.1641 103 LYS L NZ 2625 N N . VAL B 105 ? 0.6080 0.6785 0.8363 -0.0401 0.0025 0.1465 104 VAL L N 2626 C CA . VAL B 105 ? 0.6263 0.6784 0.8748 -0.0349 -0.0364 0.1291 104 VAL L CA 2627 C C . VAL B 105 ? 0.6063 0.7258 0.9226 -0.0180 -0.0393 0.1068 104 VAL L C 2628 O O . VAL B 105 ? 0.5939 0.7382 0.9123 0.0001 -0.0278 0.0921 104 VAL L O 2629 C CB . VAL B 105 ? 0.6425 0.6306 0.8340 -0.0260 -0.0531 0.1285 104 VAL L CB 2630 C CG1 . VAL B 105 ? 0.6502 0.6232 0.8651 -0.0158 -0.0923 0.1186 104 VAL L CG1 2631 C CG2 . VAL B 105 ? 0.6952 0.6188 0.8220 -0.0421 -0.0519 0.1441 104 VAL L CG2 2632 N N . THR B 106 ? 0.6091 0.7614 0.9877 -0.0242 -0.0553 0.0993 105 THR L N 2633 C CA . THR B 106 ? 0.5994 0.8195 1.0559 -0.0073 -0.0598 0.0740 105 THR L CA 2634 C C . THR B 106 ? 0.6174 0.8030 1.0932 0.0082 -0.1078 0.0630 105 THR L C 2635 O O . THR B 106 ? 0.6426 0.7792 1.0937 -0.0013 -0.1407 0.0750 105 THR L O 2636 C CB . THR B 106 ? 0.5983 0.8885 1.1268 -0.0228 -0.0445 0.0720 105 THR L CB 2637 O OG1 . THR B 106 ? 0.5848 0.9605 1.1655 -0.0079 -0.0164 0.0515 105 THR L OG1 2638 C CG2 . THR B 106 ? 0.6140 0.9019 1.1981 -0.0277 -0.0881 0.0618 105 THR L CG2 2639 N N . VAL B 107 ? 0.6062 0.8175 1.1253 0.0336 -0.1121 0.0399 106 VAL L N 2640 C CA . VAL B 107 ? 0.6343 0.8100 1.1794 0.0537 -0.1565 0.0349 106 VAL L CA 2641 C C . VAL B 107 ? 0.6294 0.8739 1.2820 0.0711 -0.1723 0.0084 106 VAL L C 2642 O O . VAL B 107 ? 0.6100 0.9097 1.3202 0.0889 -0.1520 -0.0217 106 VAL L O 2643 C CB . VAL B 107 ? 0.6437 0.7745 1.1636 0.0715 -0.1541 0.0297 106 VAL L CB 2644 C CG1 . VAL B 107 ? 0.6855 0.7794 1.2458 0.0951 -0.1976 0.0298 106 VAL L CG1 2645 C CG2 . VAL B 107 ? 0.6485 0.7106 1.0691 0.0549 -0.1427 0.0556 106 VAL L CG2 2646 N N . LEU B 108 A 0.6534 0.8975 1.3342 0.0668 -0.2106 0.0159 106 LEU L N 2647 C CA . LEU B 108 A 0.6553 0.9689 1.4474 0.0828 -0.2318 -0.0086 106 LEU L CA 2648 C C . LEU B 108 A 0.6997 0.9790 1.5262 0.1175 -0.2780 -0.0107 106 LEU L C 2649 O O . LEU B 108 A 0.7280 0.9261 1.4889 0.1259 -0.2923 0.0108 106 LEU L O 2650 C CB . LEU B 108 A 0.6622 1.0025 1.4806 0.0603 -0.2535 -0.0033 106 LEU L CB 2651 C CG . LEU B 108 A 0.6402 1.0061 1.4380 0.0234 -0.2091 0.0039 106 LEU L CG 2652 C CD1 . LEU B 108 A 0.6711 1.0369 1.4837 -0.0022 -0.2380 0.0083 106 LEU L CD1 2653 C CD2 . LEU B 108 A 0.5892 1.0502 1.4624 0.0232 -0.1606 -0.0173 106 LEU L CD2 2654 N N . GLY B 109 ? 0.7135 1.0566 1.6496 0.1378 -0.2999 -0.0348 107 GLY L N 2655 C CA . GLY B 109 ? 0.7657 1.0844 1.7567 0.1763 -0.3465 -0.0365 107 GLY L CA 2656 C C . GLY B 109 ? 0.7661 1.0934 1.8099 0.2035 -0.3217 -0.0666 107 GLY L C 2657 O O . GLY B 109 ? 0.8130 1.1051 1.9043 0.2371 -0.3539 -0.0673 107 GLY L O 2658 N N . GLN B 110 ? 0.7263 1.1018 1.7634 0.1897 -0.2649 -0.0923 108 GLN L N 2659 C CA . GLN B 110 ? 0.7187 1.1145 1.8014 0.2123 -0.2367 -0.1324 108 GLN L CA 2660 C C . GLN B 110 ? 0.7056 1.2002 1.9237 0.2373 -0.2330 -0.1810 108 GLN L C 2661 O O . GLN B 110 ? 0.6810 1.2520 1.9442 0.2253 -0.2272 -0.1869 108 GLN L O 2662 C CB . GLN B 110 ? 0.6869 1.1012 1.6976 0.1901 -0.1810 -0.1412 108 GLN L CB 2663 C CG . GLN B 110 ? 0.7159 1.0417 1.6017 0.1654 -0.1813 -0.0965 108 GLN L CG 2664 C CD . GLN B 110 ? 0.7161 1.0564 1.5405 0.1522 -0.1337 -0.1072 108 GLN L CD 2665 O OE1 . GLN B 110 ? 0.7270 1.1085 1.5897 0.1684 -0.1111 -0.1494 108 GLN L OE1 2666 N NE2 . GLN B 110 ? 0.6974 1.0063 1.4286 0.1246 -0.1206 -0.0720 108 GLN L NE2 2667 N N . PRO B 111 ? 1.5325 1.4259 1.1608 0.2274 -0.3187 -0.1667 109 PRO L N 2668 C CA . PRO B 111 ? 1.5224 1.3960 1.1947 0.2299 -0.3370 -0.1709 109 PRO L CA 2669 C C . PRO B 111 ? 1.4432 1.3279 1.2007 0.1979 -0.3293 -0.1875 109 PRO L C 2670 O O . PRO B 111 ? 1.3968 1.2927 1.1760 0.1688 -0.3043 -0.1879 109 PRO L O 2671 C CB . PRO B 111 ? 1.5810 1.4040 1.2022 0.2296 -0.3170 -0.1293 109 PRO L CB 2672 C CG . PRO B 111 ? 1.5792 1.4049 1.1724 0.1963 -0.2766 -0.1053 109 PRO L CG 2673 C CD . PRO B 111 ? 1.5615 1.4400 1.1451 0.2067 -0.2796 -0.1258 109 PRO L CD 2674 N N . ASN B 112 ? 1.4309 1.3195 1.2339 0.2073 -0.3512 -0.2001 110 ASN L N 2675 C CA . ASN B 112 ? 1.3595 1.2659 1.2438 0.1804 -0.3452 -0.2154 110 ASN L CA 2676 C C . ASN B 112 ? 1.3553 1.2263 1.2445 0.1647 -0.3155 -0.1921 110 ASN L C 2677 O O . ASN B 112 ? 1.3891 1.2384 1.2747 0.1865 -0.3230 -0.1845 110 ASN L O 2678 C CB . ASN B 112 ? 1.3513 1.2972 1.2889 0.1960 -0.3810 -0.2417 110 ASN L CB 2679 C CG . ASN B 112 ? 1.3303 1.3110 1.2891 0.1881 -0.4085 -0.2740 110 ASN L CG 2680 O OD1 . ASN B 112 ? 1.3443 1.3112 1.2565 0.1907 -0.4093 -0.2777 110 ASN L OD1 2681 N ND2 . ASN B 112 ? 1.2896 1.3157 1.3161 0.1775 -0.4311 -0.2983 110 ASN L ND2 2682 N N . ALA B 113 ? 1.3192 1.1845 1.2140 0.1293 -0.2838 -0.1832 111 ALA L N 2683 C CA . ALA B 113 ? 1.3102 1.1420 1.2112 0.1055 -0.2560 -0.1663 111 ALA L CA 2684 C C . ALA B 113 ? 1.2390 1.0995 1.2169 0.0876 -0.2533 -0.1876 111 ALA L C 2685 O O . ALA B 113 ? 1.1838 1.0843 1.2025 0.0738 -0.2581 -0.2068 111 ALA L O 2686 C CB . ALA B 113 ? 1.3160 1.1385 1.1815 0.0736 -0.2242 -0.1449 111 ALA L CB 2687 N N . ALA B 114 ? 1.2516 1.0853 1.2412 0.0898 -0.2457 -0.1834 112 ALA L N 2688 C CA . ALA B 114 ? 1.1978 1.0618 1.2555 0.0754 -0.2395 -0.2014 112 ALA L CA 2689 C C . ALA B 114 ? 1.1692 1.0223 1.2313 0.0343 -0.2078 -0.1944 112 ALA L C 2690 O O . ALA B 114 ? 1.2049 1.0160 1.2174 0.0188 -0.1899 -0.1738 112 ALA L O 2691 C CB . ALA B 114 ? 1.2328 1.0803 1.2981 0.1062 -0.2468 -0.2042 112 ALA L CB 2692 N N . PRO B 115 ? 1.1082 1.0024 1.2283 0.0138 -0.2014 -0.2104 113 PRO L N 2693 C CA . PRO B 115 ? 1.0732 0.9666 1.1983 -0.0218 -0.1749 -0.2056 113 PRO L CA 2694 C C . PRO B 115 ? 1.0888 0.9487 1.2101 -0.0306 -0.1572 -0.2025 113 PRO L C 2695 O O . PRO B 115 ? 1.1014 0.9599 1.2441 -0.0096 -0.1633 -0.2129 113 PRO L O 2696 C CB . PRO B 115 ? 1.0162 0.9593 1.1969 -0.0356 -0.1783 -0.2228 113 PRO L CB 2697 C CG . PRO B 115 ? 1.0210 0.9920 1.2324 -0.0141 -0.2061 -0.2382 113 PRO L CG 2698 C CD . PRO B 115 ? 1.0778 1.0244 1.2599 0.0198 -0.2186 -0.2323 113 PRO L CD 2699 N N . SER B 116 ? 1.0914 0.9288 1.1835 -0.0610 -0.1362 -0.1901 114 SER L N 2700 C CA . SER B 116 ? 1.1076 0.9087 1.1904 -0.0782 -0.1192 -0.1907 114 SER L CA 2701 C C . SER B 116 ? 1.0367 0.8862 1.1645 -0.1025 -0.1061 -0.2026 114 SER L C 2702 O O . SER B 116 ? 1.0126 0.8936 1.1420 -0.1261 -0.0977 -0.1974 114 SER L O 2703 C CB . SER B 116 ? 1.1665 0.9142 1.1873 -0.1057 -0.1059 -0.1702 114 SER L CB 2704 O OG . SER B 116 ? 1.2421 0.9442 1.2129 -0.0855 -0.1169 -0.1537 114 SER L OG 2705 N N . VAL B 117 ? 1.0108 0.8705 1.1725 -0.0925 -0.1043 -0.2180 115 VAL L N 2706 C CA . VAL B 117 ? 0.9499 0.8544 1.1508 -0.1130 -0.0916 -0.2277 115 VAL L CA 2707 C C . VAL B 117 ? 0.9693 0.8444 1.1464 -0.1352 -0.0731 -0.2297 115 VAL L C 2708 O O . VAL B 117 ? 1.0290 0.8434 1.1685 -0.1278 -0.0714 -0.2308 115 VAL L O 2709 C CB . VAL B 117 ? 0.9219 0.8714 1.1769 -0.0950 -0.0975 -0.2428 115 VAL L CB 2710 C CG1 . VAL B 117 ? 0.8784 0.8688 1.1649 -0.1193 -0.0818 -0.2481 115 VAL L CG1 2711 C CG2 . VAL B 117 ? 0.9018 0.8813 1.1801 -0.0805 -0.1195 -0.2439 115 VAL L CG2 2712 N N . THR B 118 ? 0.9239 0.8369 1.1168 -0.1614 -0.0613 -0.2308 116 THR L N 2713 C CA . THR B 118 ? 0.9377 0.8365 1.1116 -0.1861 -0.0457 -0.2360 116 THR L CA 2714 C C . THR B 118 ? 0.8866 0.8400 1.0947 -0.1962 -0.0361 -0.2429 116 THR L C 2715 O O . THR B 118 ? 0.8483 0.8414 1.0677 -0.2075 -0.0360 -0.2351 116 THR L O 2716 C CB . THR B 118 ? 0.9632 0.8482 1.0976 -0.2190 -0.0410 -0.2232 116 THR L CB 2717 O OG1 . THR B 118 ? 1.0346 0.8520 1.1239 -0.2170 -0.0461 -0.2145 116 THR L OG1 2718 C CG2 . THR B 118 ? 0.9656 0.8545 1.0874 -0.2505 -0.0282 -0.2312 116 THR L CG2 2719 N N . LEU B 119 ? 0.8918 0.8442 1.1101 -0.1877 -0.0277 -0.2571 117 LEU L N 2720 C CA . LEU B 119 ? 0.8554 0.8578 1.1016 -0.1959 -0.0163 -0.2621 117 LEU L CA 2721 C C . LEU B 119 ? 0.8771 0.8681 1.0916 -0.2180 -0.0039 -0.2694 117 LEU L C 2722 O O . LEU B 119 ? 0.9337 0.8748 1.1148 -0.2165 -0.0013 -0.2813 117 LEU L O 2723 C CB . LEU B 119 ? 0.8497 0.8778 1.1312 -0.1717 -0.0129 -0.2734 117 LEU L CB 2724 C CG . LEU B 119 ? 0.8121 0.9008 1.1298 -0.1816 -0.0018 -0.2722 117 LEU L CG 2725 C CD1 . LEU B 119 ? 0.8172 0.9463 1.1747 -0.1597 0.0017 -0.2822 117 LEU L CD1 2726 C CD2 . LEU B 119 ? 0.8117 0.9061 1.1057 -0.1993 0.0146 -0.2759 117 LEU L CD2 2727 N N . PHE B 120 ? 0.8417 0.8749 1.0615 -0.2369 0.0013 -0.2630 118 PHE L N 2728 C CA . PHE B 120 ? 0.8618 0.8999 1.0538 -0.2598 0.0100 -0.2700 118 PHE L CA 2729 C C . PHE B 120 ? 0.8453 0.9251 1.0514 -0.2575 0.0221 -0.2742 118 PHE L C 2730 O O . PHE B 120 ? 0.8128 0.9248 1.0491 -0.2488 0.0232 -0.2638 118 PHE L O 2731 C CB . PHE B 120 ? 0.8508 0.9139 1.0294 -0.2826 0.0047 -0.2576 118 PHE L CB 2732 C CG . PHE B 120 ? 0.8938 0.9202 1.0473 -0.2966 -0.0021 -0.2531 118 PHE L CG 2733 C CD1 . PHE B 120 ? 0.9466 0.9219 1.0613 -0.3191 -0.0003 -0.2640 118 PHE L CD1 2734 C CD2 . PHE B 120 ? 0.8740 0.9107 1.0354 -0.2885 -0.0103 -0.2377 118 PHE L CD2 2735 C CE1 . PHE B 120 ? 1.0070 0.9407 1.0918 -0.3386 -0.0053 -0.2555 118 PHE L CE1 2736 C CE2 . PHE B 120 ? 0.9086 0.9151 1.0426 -0.3036 -0.0139 -0.2299 118 PHE L CE2 2737 C CZ . PHE B 120 ? 0.9794 0.9337 1.0753 -0.3313 -0.0108 -0.2368 118 PHE L CZ 2738 N N . PRO B 121 ? 0.8771 0.9514 1.0553 -0.2678 0.0308 -0.2895 119 PRO L N 2739 C CA . PRO B 121 ? 0.8624 0.9789 1.0448 -0.2664 0.0438 -0.2919 119 PRO L CA 2740 C C . PRO B 121 ? 0.8358 0.9912 1.0042 -0.2853 0.0415 -0.2812 119 PRO L C 2741 O O . PRO B 121 ? 0.8364 0.9924 0.9926 -0.3009 0.0310 -0.2767 119 PRO L O 2742 C CB . PRO B 121 ? 0.9183 1.0040 1.0686 -0.2620 0.0521 -0.3179 119 PRO L CB 2743 C CG . PRO B 121 ? 0.9689 0.9880 1.0845 -0.2751 0.0404 -0.3271 119 PRO L CG 2744 C CD . PRO B 121 ? 0.9330 0.9537 1.0671 -0.2829 0.0284 -0.3058 119 PRO L CD 2745 N N . PRO B 122 ? 0.8208 1.0141 0.9892 -0.2825 0.0515 -0.2756 120 PRO L N 2746 C CA . PRO B 122 ? 0.8164 1.0476 0.9655 -0.2924 0.0474 -0.2652 120 PRO L CA 2747 C C . PRO B 122 ? 0.8533 1.0920 0.9660 -0.3115 0.0455 -0.2843 120 PRO L C 2748 O O . PRO B 122 ? 0.8946 1.1165 0.9874 -0.3124 0.0543 -0.3046 120 PRO L O 2749 C CB . PRO B 122 ? 0.8146 1.0708 0.9666 -0.2826 0.0598 -0.2516 120 PRO L CB 2750 C CG . PRO B 122 ? 0.8314 1.0787 0.9962 -0.2753 0.0751 -0.2651 120 PRO L CG 2751 C CD . PRO B 122 ? 0.8224 1.0317 1.0071 -0.2691 0.0675 -0.2762 120 PRO L CD 2752 N N . SER B 123 ? 0.8508 1.1192 0.9542 -0.3264 0.0331 -0.2792 121 SER L N 2753 C CA . SER B 123 ? 0.8903 1.1790 0.9616 -0.3532 0.0273 -0.2969 121 SER L CA 2754 C C . SER B 123 ? 0.9205 1.2406 0.9673 -0.3471 0.0341 -0.3029 121 SER L C 2755 O O . SER B 123 ? 0.9037 1.2494 0.9561 -0.3254 0.0401 -0.2838 121 SER L O 2756 C CB . SER B 123 ? 0.8703 1.2142 0.9449 -0.3687 0.0133 -0.2868 121 SER L CB 2757 O OG . SER B 123 ? 0.8216 1.2207 0.9018 -0.3439 0.0107 -0.2670 121 SER L OG 2758 N N . SER B 124 ? 0.9761 1.2868 0.9882 -0.3679 0.0323 -0.3295 122 SER L N 2759 C CA . SER B 124 ? 1.0128 1.3574 0.9921 -0.3638 0.0368 -0.3391 122 SER L CA 2760 C C . SER B 124 ? 0.9933 1.4144 0.9722 -0.3595 0.0265 -0.3190 122 SER L C 2761 O O . SER B 124 ? 0.9987 1.4501 0.9622 -0.3389 0.0326 -0.3065 122 SER L O 2762 C CB . SER B 124 ? 1.0848 1.4047 1.0197 -0.3920 0.0300 -0.3753 122 SER L CB 2763 O OG . SER B 124 ? 1.1285 1.3642 1.0541 -0.3910 0.0361 -0.3952 122 SER L OG 2764 N N . GLU B 125 ? 0.9809 1.4344 0.9743 -0.3767 0.0112 -0.3144 123 GLU L N 2765 C CA . GLU B 125 ? 0.9705 1.5083 0.9637 -0.3675 -0.0017 -0.2985 123 GLU L CA 2766 C C . GLU B 125 ? 0.9432 1.4817 0.9448 -0.3245 0.0043 -0.2673 123 GLU L C 2767 O O . GLU B 125 ? 0.9458 1.5367 0.9293 -0.3026 -0.0031 -0.2529 123 GLU L O 2768 C CB . GLU B 125 ? 0.9535 1.5334 0.9691 -0.3904 -0.0154 -0.2972 123 GLU L CB 2769 C CG . GLU B 125 ? 0.9665 1.6554 0.9804 -0.3834 -0.0310 -0.2892 123 GLU L CG 2770 C CD . GLU B 125 ? 0.9913 1.7417 1.0263 -0.4192 -0.0424 -0.2943 123 GLU L CD 2771 O OE1 . GLU B 125 ? 0.9916 1.7088 1.0503 -0.4244 -0.0374 -0.2857 123 GLU L OE1 2772 O OE2 . GLU B 125 ? 1.0146 1.8532 1.0417 -0.4444 -0.0565 -0.3064 123 GLU L OE2 2773 N N . GLU B 126 ? 0.9305 1.4061 0.9550 -0.3130 0.0159 -0.2572 124 GLU L N 2774 C CA . GLU B 126 ? 0.9269 1.3846 0.9578 -0.2812 0.0201 -0.2285 124 GLU L CA 2775 C C . GLU B 126 ? 0.9565 1.3930 0.9674 -0.2721 0.0366 -0.2205 124 GLU L C 2776 O O . GLU B 126 ? 0.9703 1.4032 0.9637 -0.2510 0.0381 -0.1949 124 GLU L O 2777 C CB . GLU B 126 ? 0.8996 1.3076 0.9662 -0.2781 0.0217 -0.2222 124 GLU L CB 2778 C CG . GLU B 126 ? 0.9058 1.2939 0.9741 -0.2496 0.0184 -0.1954 124 GLU L CG 2779 C CD . GLU B 126 ? 0.9018 1.2326 1.0005 -0.2499 0.0234 -0.1916 124 GLU L CD 2780 O OE1 . GLU B 126 ? 0.9090 1.2230 1.0309 -0.2654 0.0264 -0.2083 124 GLU L OE1 2781 O OE2 . GLU B 126 ? 0.8947 1.1938 0.9896 -0.2346 0.0225 -0.1721 124 GLU L OE2 2782 N N . LEU B 127 ? 0.9749 1.3948 0.9828 -0.2874 0.0493 -0.2421 125 LEU L N 2783 C CA . LEU B 127 ? 1.0043 1.4153 0.9970 -0.2803 0.0696 -0.2368 125 LEU L CA 2784 C C . LEU B 127 ? 1.0500 1.5018 0.9943 -0.2716 0.0696 -0.2282 125 LEU L C 2785 O O . LEU B 127 ? 1.0787 1.5272 1.0036 -0.2621 0.0853 -0.2088 125 LEU L O 2786 C CB . LEU B 127 ? 1.0183 1.4076 1.0151 -0.2896 0.0830 -0.2662 125 LEU L CB 2787 C CG . LEU B 127 ? 0.9863 1.3345 1.0276 -0.2883 0.0878 -0.2687 125 LEU L CG 2788 C CD1 . LEU B 127 ? 1.0065 1.3311 1.0424 -0.2874 0.0981 -0.3002 125 LEU L CD1 2789 C CD2 . LEU B 127 ? 0.9649 1.3108 1.0315 -0.2791 0.0995 -0.2402 125 LEU L CD2 2790 N N . LYS B 128 ? 1.0621 1.5571 0.9860 -0.2767 0.0514 -0.2413 126 LYS L N 2791 C CA . LYS B 128 ? 1.1048 1.6480 0.9807 -0.2639 0.0456 -0.2334 126 LYS L CA 2792 C C . LYS B 128 ? 1.1263 1.6569 0.9881 -0.2353 0.0471 -0.1923 126 LYS L C 2793 O O . LYS B 128 ? 1.1749 1.7131 0.9919 -0.2209 0.0542 -0.1743 126 LYS L O 2794 C CB . LYS B 128 ? 1.1026 1.7095 0.9706 -0.2727 0.0204 -0.2493 126 LYS L CB 2795 C CG . LYS B 128 ? 1.1107 1.7250 0.9752 -0.3086 0.0146 -0.2903 126 LYS L CG 2796 C CD . LYS B 128 ? 1.1043 1.7934 0.9699 -0.3258 -0.0114 -0.3016 126 LYS L CD 2797 C CE . LYS B 128 ? 1.1359 1.8126 1.0016 -0.3733 -0.0190 -0.3398 126 LYS L CE 2798 N NZ . LYS B 128 ? 1.1301 1.8791 1.0161 -0.4000 -0.0411 -0.3446 126 LYS L NZ 2799 N N . THR B 129 ? 1.1054 1.6088 0.9983 -0.2270 0.0395 -0.1777 127 THR L N 2800 C CA . THR B 129 ? 1.1390 1.6118 1.0120 -0.1983 0.0356 -0.1413 127 THR L CA 2801 C C . THR B 129 ? 1.1724 1.5862 1.0393 -0.2050 0.0579 -0.1195 127 THR L C 2802 O O . THR B 129 ? 1.2137 1.5821 1.0538 -0.1892 0.0572 -0.0874 127 THR L O 2803 C CB . THR B 129 ? 1.1053 1.5589 1.0107 -0.1871 0.0213 -0.1371 127 THR L CB 2804 O OG1 . THR B 129 ? 1.0656 1.5778 0.9958 -0.1975 0.0076 -0.1623 127 THR L OG1 2805 C CG2 . THR B 129 ? 1.1486 1.5814 1.0148 -0.1465 0.0082 -0.1066 127 THR L CG2 2806 N N . ASN B 130 ? 1.1676 1.5830 1.0568 -0.2290 0.0774 -0.1380 128 ASN L N 2807 C CA . ASN B 130 ? 1.1901 1.5714 1.0915 -0.2426 0.1014 -0.1227 128 ASN L CA 2808 C C . ASN B 130 ? 1.1570 1.4902 1.1022 -0.2488 0.0972 -0.1136 128 ASN L C 2809 O O . ASN B 130 ? 1.1787 1.4812 1.1328 -0.2620 0.1109 -0.0936 128 ASN L O 2810 C CB . ASN B 130 ? 1.2631 1.6337 1.1091 -0.2366 0.1136 -0.0879 128 ASN L CB 2811 C CG . ASN B 130 ? 1.3120 1.7319 1.1196 -0.2365 0.1277 -0.0991 128 ASN L CG 2812 O OD1 . ASN B 130 ? 1.2933 1.7547 1.0951 -0.2326 0.1168 -0.1302 128 ASN L OD1 2813 N ND2 . ASN B 130 ? 1.3878 1.8032 1.1652 -0.2439 0.1520 -0.0739 128 ASN L ND2 2814 N N . GLN B 131 ? 1.1126 1.4448 1.0832 -0.2420 0.0776 -0.1288 129 GLN L N 2815 C CA . GLN B 131 ? 1.0825 1.3738 1.0923 -0.2447 0.0700 -0.1263 129 GLN L CA 2816 C C . GLN B 131 ? 1.0204 1.3244 1.0758 -0.2563 0.0696 -0.1569 129 GLN L C 2817 O O . GLN B 131 ? 1.0119 1.3463 1.0633 -0.2583 0.0639 -0.1786 129 GLN L O 2818 C CB . GLN B 131 ? 1.0930 1.3662 1.0842 -0.2195 0.0470 -0.1140 129 GLN L CB 2819 C CG . GLN B 131 ? 1.1854 1.4271 1.1192 -0.1988 0.0431 -0.0821 129 GLN L CG 2820 C CD . GLN B 131 ? 1.2392 1.4683 1.1493 -0.1618 0.0191 -0.0746 129 GLN L CD 2821 O OE1 . GLN B 131 ? 1.2169 1.4207 1.1517 -0.1562 0.0084 -0.0809 129 GLN L OE1 2822 N NE2 . GLN B 131 ? 1.3076 1.5597 1.1664 -0.1316 0.0100 -0.0620 129 GLN L NE2 2823 N N . ALA B 132 ? 0.9906 1.2682 1.0854 -0.2655 0.0744 -0.1578 130 ALA L N 2824 C CA . ALA B 132 ? 0.9481 1.2255 1.0805 -0.2703 0.0722 -0.1830 130 ALA L CA 2825 C C . ALA B 132 ? 0.9204 1.1644 1.0828 -0.2673 0.0587 -0.1780 130 ALA L C 2826 O O . ALA B 132 ? 0.9230 1.1468 1.1030 -0.2732 0.0612 -0.1651 130 ALA L O 2827 C CB . ALA B 132 ? 0.9507 1.2440 1.1012 -0.2776 0.0925 -0.1974 130 ALA L CB 2828 N N . THR B 133 ? 0.8884 1.1303 1.0539 -0.2612 0.0440 -0.1886 131 THR L N 2829 C CA . THR B 133 ? 0.8614 1.0756 1.0485 -0.2547 0.0302 -0.1869 131 THR L CA 2830 C C . THR B 133 ? 0.8402 1.0479 1.0534 -0.2595 0.0303 -0.2063 131 THR L C 2831 O O . THR B 133 ? 0.8454 1.0614 1.0476 -0.2653 0.0305 -0.2205 131 THR L O 2832 C CB . THR B 133 ? 0.8564 1.0773 1.0228 -0.2397 0.0141 -0.1812 131 THR L CB 2833 O OG1 . THR B 133 ? 0.8825 1.1090 1.0144 -0.2265 0.0122 -0.1642 131 THR L OG1 2834 C CG2 . THR B 133 ? 0.8591 1.0480 1.0392 -0.2284 0.0004 -0.1784 131 THR L CG2 2835 N N . LEU B 134 ? 0.8335 1.0228 1.0772 -0.2579 0.0284 -0.2063 132 LEU L N 2836 C CA . LEU B 134 ? 0.8225 0.9989 1.0874 -0.2537 0.0246 -0.2215 132 LEU L CA 2837 C C . LEU B 134 ? 0.8140 0.9686 1.0803 -0.2451 0.0064 -0.2168 132 LEU L C 2838 O O . LEU B 134 ? 0.8278 0.9706 1.0995 -0.2407 -0.0031 -0.2064 132 LEU L O 2839 C CB . LEU B 134 ? 0.8253 1.0125 1.1256 -0.2524 0.0326 -0.2264 132 LEU L CB 2840 C CG . LEU B 134 ? 0.8288 1.0447 1.1289 -0.2537 0.0534 -0.2365 132 LEU L CG 2841 C CD1 . LEU B 134 ? 0.8224 1.0741 1.1614 -0.2568 0.0639 -0.2329 132 LEU L CD1 2842 C CD2 . LEU B 134 ? 0.8325 1.0303 1.1197 -0.2416 0.0547 -0.2591 132 LEU L CD2 2843 N N . VAL B 135 ? 0.8164 0.9611 1.0713 -0.2444 0.0018 -0.2247 133 VAL L N 2844 C CA . VAL B 135 ? 0.8124 0.9441 1.0619 -0.2360 -0.0126 -0.2197 133 VAL L CA 2845 C C . VAL B 135 ? 0.8290 0.9324 1.0890 -0.2287 -0.0187 -0.2270 133 VAL L C 2846 O O . VAL B 135 ? 0.8495 0.9341 1.0957 -0.2340 -0.0147 -0.2349 133 VAL L O 2847 C CB . VAL B 135 ? 0.8122 0.9652 1.0348 -0.2441 -0.0132 -0.2169 133 VAL L CB 2848 C CG1 . VAL B 135 ? 0.7962 0.9434 1.0121 -0.2355 -0.0240 -0.2116 133 VAL L CG1 2849 C CG2 . VAL B 135 ? 0.8140 1.0014 1.0236 -0.2404 -0.0121 -0.2081 133 VAL L CG2 2850 N N . CYS B 136 ? 0.8351 0.9300 1.1134 -0.2160 -0.0307 -0.2244 134 CYS L N 2851 C CA . CYS B 136 ? 0.8538 0.9280 1.1424 -0.2027 -0.0407 -0.2301 134 CYS L CA 2852 C C . CYS B 136 ? 0.8552 0.9175 1.1255 -0.1928 -0.0552 -0.2231 134 CYS L C 2853 O O . CYS B 136 ? 0.8562 0.9203 1.1293 -0.1860 -0.0660 -0.2199 134 CYS L O 2854 C CB . CYS B 136 ? 0.8533 0.9427 1.1813 -0.1976 -0.0444 -0.2355 134 CYS L CB 2855 S SG . CYS B 136 ? 0.8909 0.9722 1.2369 -0.1773 -0.0667 -0.2408 134 CYS L SG 2856 N N . MET B 137 ? 0.8753 0.9213 1.1201 -0.1933 -0.0546 -0.2207 135 MET L N 2857 C CA . MET B 137 ? 0.8839 0.9284 1.1046 -0.1853 -0.0635 -0.2121 135 MET L CA 2858 C C . MET B 137 ? 0.9023 0.9164 1.1166 -0.1683 -0.0760 -0.2125 135 MET L C 2859 O O . MET B 137 ? 0.9261 0.9098 1.1319 -0.1677 -0.0736 -0.2143 135 MET L O 2860 C CB . MET B 137 ? 0.9002 0.9585 1.0926 -0.2054 -0.0521 -0.2044 135 MET L CB 2861 C CG . MET B 137 ? 0.9169 1.0094 1.1129 -0.2232 -0.0407 -0.2059 135 MET L CG 2862 S SD . MET B 137 ? 0.9565 1.0677 1.1247 -0.2590 -0.0293 -0.2018 135 MET L SD 2863 C CE . MET B 137 ? 0.9539 1.1406 1.1165 -0.2513 -0.0305 -0.1908 135 MET L CE 2864 N N . ILE B 138 ? 0.8987 0.9164 1.1092 -0.1507 -0.0910 -0.2115 136 ILE L N 2865 C CA . ILE B 138 ? 0.9171 0.9128 1.1182 -0.1303 -0.1068 -0.2122 136 ILE L CA 2866 C C . ILE B 138 ? 0.9303 0.9245 1.0890 -0.1251 -0.1068 -0.2000 136 ILE L C 2867 O O . ILE B 138 ? 0.9108 0.9318 1.0572 -0.1219 -0.1056 -0.1973 136 ILE L O 2868 C CB . ILE B 138 ? 0.9132 0.9151 1.1382 -0.1157 -0.1273 -0.2232 136 ILE L CB 2869 C CG1 . ILE B 138 ? 0.8879 0.9065 1.1543 -0.1307 -0.1227 -0.2310 136 ILE L CG1 2870 C CG2 . ILE B 138 ? 0.9547 0.9433 1.1794 -0.0946 -0.1452 -0.2275 136 ILE L CG2 2871 C CD1 . ILE B 138 ? 0.9083 0.9315 1.1976 -0.1292 -0.1428 -0.2408 136 ILE L CD1 2872 N N . ASN B 139 ? 0.9666 0.9295 1.0986 -0.1213 -0.1077 -0.1918 137 ASN L N 2873 C CA . ASN B 139 ? 0.9972 0.9599 1.0842 -0.1247 -0.1023 -0.1752 137 ASN L CA 2874 C C . ASN B 139 ? 1.0380 0.9648 1.0924 -0.1023 -0.1156 -0.1677 137 ASN L C 2875 O O . ASN B 139 ? 1.0569 0.9431 1.1115 -0.0904 -0.1238 -0.1702 137 ASN L O 2876 C CB . ASN B 139 ? 1.0161 0.9722 1.0839 -0.1611 -0.0814 -0.1632 137 ASN L CB 2877 C CG . ASN B 139 ? 1.0799 1.0379 1.1006 -0.1743 -0.0732 -0.1421 137 ASN L CG 2878 O OD1 . ASN B 139 ? 1.0746 1.0802 1.0855 -0.1627 -0.0733 -0.1371 137 ASN L OD1 2879 N ND2 . ASN B 139 ? 1.1365 1.0395 1.1221 -0.1985 -0.0655 -0.1292 137 ASN L ND2 2880 N N . GLY B 140 ? 1.0546 1.0014 1.0769 -0.0923 -0.1174 -0.1585 138 GLY L N 2881 C CA . GLY B 140 ? 1.1128 1.0304 1.0903 -0.0724 -0.1273 -0.1464 138 GLY L CA 2882 C C . GLY B 140 ? 1.1231 1.0239 1.1133 -0.0369 -0.1551 -0.1614 138 GLY L C 2883 O O . GLY B 140 ? 1.1637 1.0235 1.1442 -0.0240 -0.1639 -0.1581 138 GLY L O 2884 N N . PHE B 141 ? 1.0962 1.0282 1.1047 -0.0201 -0.1708 -0.1789 139 PHE L N 2885 C CA . PHE B 141 ? 1.1032 1.0304 1.1248 0.0075 -0.2007 -0.1959 139 PHE L CA 2886 C C . PHE B 141 ? 1.1214 1.0637 1.1156 0.0298 -0.2181 -0.2061 139 PHE L C 2887 O O . PHE B 141 ? 1.1109 1.0726 1.0935 0.0275 -0.2090 -0.2083 139 PHE L O 2888 C CB . PHE B 141 ? 1.0600 1.0009 1.1448 -0.0027 -0.2082 -0.2153 139 PHE L CB 2889 C CG . PHE B 141 ? 1.0062 0.9668 1.1132 -0.0201 -0.2015 -0.2249 139 PHE L CG 2890 C CD1 . PHE B 141 ? 0.9684 0.9370 1.0852 -0.0442 -0.1758 -0.2162 139 PHE L CD1 2891 C CD2 . PHE B 141 ? 0.9998 0.9641 1.1112 -0.0116 -0.2231 -0.2429 139 PHE L CD2 2892 C CE1 . PHE B 141 ? 0.9360 0.9194 1.0663 -0.0540 -0.1713 -0.2229 139 PHE L CE1 2893 C CE2 . PHE B 141 ? 0.9804 0.9458 1.1003 -0.0237 -0.2183 -0.2496 139 PHE L CE2 2894 C CZ . PHE B 141 ? 0.9508 0.9273 1.0800 -0.0422 -0.1920 -0.2383 139 PHE L CZ 2895 N N . TYR B 142 ? 1.1617 1.0952 1.1409 0.0562 -0.2447 -0.2136 140 TYR L N 2896 C CA . TYR B 142 ? 1.1938 1.1345 1.1425 0.0808 -0.2680 -0.2293 140 TYR L CA 2897 C C . TYR B 142 ? 1.2008 1.1443 1.1756 0.0940 -0.3042 -0.2516 140 TYR L C 2898 O O . TYR B 142 ? 1.2095 1.1519 1.1957 0.1037 -0.3124 -0.2458 140 TYR L O 2899 C CB . TYR B 142 ? 1.2512 1.1881 1.1295 0.1024 -0.2621 -0.2101 140 TYR L CB 2900 C CG . TYR B 142 ? 1.3068 1.2547 1.1427 0.1302 -0.2792 -0.2268 140 TYR L CG 2901 C CD1 . TYR B 142 ? 1.3599 1.3001 1.1752 0.1578 -0.3145 -0.2445 140 TYR L CD1 2902 C CD2 . TYR B 142 ? 1.3272 1.2963 1.1407 0.1329 -0.2616 -0.2274 140 TYR L CD2 2903 C CE1 . TYR B 142 ? 1.4176 1.3603 1.1857 0.1850 -0.3319 -0.2637 140 TYR L CE1 2904 C CE2 . TYR B 142 ? 1.3801 1.3538 1.1465 0.1661 -0.2774 -0.2460 140 TYR L CE2 2905 C CZ . TYR B 142 ? 1.4263 1.3814 1.1676 0.1909 -0.3126 -0.2650 140 TYR L CZ 2906 O OH . TYR B 142 ? 1.4826 1.4351 1.1689 0.2254 -0.3298 -0.2871 140 TYR L OH 2907 N N . PRO B 143 ? 1.2043 1.1513 1.1864 0.0947 -0.3277 -0.2782 141 PRO L N 2908 C CA . PRO B 143 ? 1.2075 1.1432 1.1667 0.0933 -0.3237 -0.2890 141 PRO L CA 2909 C C . PRO B 143 ? 1.1620 1.0957 1.1658 0.0620 -0.3057 -0.2895 141 PRO L C 2910 O O . PRO B 143 ? 1.1262 1.0720 1.1791 0.0391 -0.2929 -0.2809 141 PRO L O 2911 C CB . PRO B 143 ? 1.2540 1.1765 1.1987 0.1055 -0.3640 -0.3200 141 PRO L CB 2912 C CG . PRO B 143 ? 1.2387 1.1828 1.2360 0.0931 -0.3854 -0.3279 141 PRO L CG 2913 C CD . PRO B 143 ? 1.2131 1.1742 1.2280 0.0963 -0.3639 -0.3016 141 PRO L CD 2914 N N . ALA B 144 ? 1.1775 1.0928 1.1570 0.0663 -0.3060 -0.3004 142 ALA L N 2915 C CA . ALA B 144 ? 1.1503 1.0606 1.1541 0.0447 -0.2860 -0.2958 142 ALA L CA 2916 C C . ALA B 144 ? 1.1501 1.0389 1.1965 0.0151 -0.3022 -0.3111 142 ALA L C 2917 O O . ALA B 144 ? 1.1727 1.0272 1.2069 0.0089 -0.3045 -0.3189 142 ALA L O 2918 C CB . ALA B 144 ? 1.1757 1.0763 1.1274 0.0707 -0.2786 -0.2986 142 ALA L CB 2919 N N . ASP B 145 ? 1.1365 1.0471 1.2299 -0.0023 -0.3127 -0.3138 143 ASP L N 2920 C CA . ASP B 145 ? 1.1376 1.0475 1.2800 -0.0377 -0.3257 -0.3259 143 ASP L CA 2921 C C . ASP B 145 ? 1.0798 1.0302 1.2826 -0.0607 -0.3023 -0.3116 143 ASP L C 2922 O O . ASP B 145 ? 1.0615 1.0463 1.2866 -0.0505 -0.3004 -0.3063 143 ASP L O 2923 C CB . ASP B 145 ? 1.1808 1.0989 1.3311 -0.0386 -0.3642 -0.3481 143 ASP L CB 2924 C CG . ASP B 145 ? 1.2133 1.1119 1.3882 -0.0794 -0.3846 -0.3656 143 ASP L CG 2925 O OD1 . ASP B 145 ? 1.2006 1.1320 1.4347 -0.1147 -0.3730 -0.3591 143 ASP L OD1 2926 O OD2 . ASP B 145 ? 1.2461 1.0937 1.3763 -0.0778 -0.4123 -0.3861 143 ASP L OD2 2927 N N . VAL B 146 ? 1.0664 1.0073 1.2880 -0.0876 -0.2853 -0.3058 144 VAL L N 2928 C CA . VAL B 146 ? 1.0209 0.9988 1.2923 -0.1079 -0.2601 -0.2935 144 VAL L CA 2929 C C . VAL B 146 ? 1.0221 0.9952 1.3214 -0.1458 -0.2532 -0.2927 144 VAL L C 2930 O O . VAL B 146 ? 1.0409 0.9687 1.3071 -0.1515 -0.2497 -0.2893 144 VAL L O 2931 C CB . VAL B 146 ? 0.9884 0.9674 1.2395 -0.0946 -0.2300 -0.2754 144 VAL L CB 2932 C CG1 . VAL B 146 ? 0.9400 0.9414 1.2288 -0.1182 -0.2044 -0.2663 144 VAL L CG1 2933 C CG2 . VAL B 146 ? 0.9966 0.9857 1.2322 -0.0689 -0.2309 -0.2701 144 VAL L CG2 2934 N N . ALA B 147 ? 1.0083 1.0316 1.3657 -0.1684 -0.2504 -0.2946 145 ALA L N 2935 C CA . ALA B 147 ? 1.0142 1.0471 1.4032 -0.2093 -0.2390 -0.2898 145 ALA L CA 2936 C C . ALA B 147 ? 0.9650 1.0460 1.3892 -0.2114 -0.2075 -0.2784 145 ALA L C 2937 O O . ALA B 147 ? 0.9457 1.0829 1.4092 -0.2009 -0.2057 -0.2832 145 ALA L O 2938 C CB . ALA B 147 ? 1.0393 1.1031 1.4689 -0.2422 -0.2633 -0.3036 145 ALA L CB 2939 N N . VAL B 148 ? 0.9517 1.0085 1.3562 -0.2206 -0.1844 -0.2648 146 VAL L N 2940 C CA . VAL B 148 ? 0.9115 1.0055 1.3385 -0.2234 -0.1545 -0.2560 146 VAL L CA 2941 C C . VAL B 148 ? 0.9198 1.0456 1.3826 -0.2618 -0.1421 -0.2506 146 VAL L C 2942 O O . VAL B 148 ? 0.9522 1.0394 1.3957 -0.2885 -0.1447 -0.2427 146 VAL L O 2943 C CB . VAL B 148 ? 0.8982 0.9595 1.2813 -0.2103 -0.1362 -0.2446 146 VAL L CB 2944 C CG1 . VAL B 148 ? 0.8564 0.9517 1.2571 -0.2144 -0.1086 -0.2396 146 VAL L CG1 2945 C CG2 . VAL B 148 ? 0.8819 0.9217 1.2300 -0.1791 -0.1450 -0.2467 146 VAL L CG2 2946 N N . THR B 149 ? 0.8974 1.0919 1.4073 -0.2620 -0.1280 -0.2541 147 THR L N 2947 C CA . THR B 149 ? 0.8988 1.1458 1.4482 -0.2971 -0.1108 -0.2481 147 THR L CA 2948 C C . THR B 149 ? 0.8701 1.1490 1.4237 -0.2847 -0.0792 -0.2439 147 THR L C 2949 O O . THR B 149 ? 0.8534 1.1354 1.4000 -0.2492 -0.0745 -0.2520 147 THR L O 2950 C CB . THR B 149 ? 0.9014 1.2295 1.5134 -0.3101 -0.1236 -0.2600 147 THR L CB 2951 O OG1 . THR B 149 ? 0.9291 1.2313 1.5340 -0.3074 -0.1583 -0.2711 147 THR L OG1 2952 C CG2 . THR B 149 ? 0.9230 1.2969 1.5694 -0.3638 -0.1108 -0.2499 147 THR L CG2 2953 N N . TRP B 150 ? 0.8764 1.1728 1.4351 -0.3157 -0.0584 -0.2313 148 TRP L N 2954 C CA . TRP B 150 ? 0.8597 1.1846 1.4148 -0.3065 -0.0281 -0.2281 148 TRP L CA 2955 C C . TRP B 150 ? 0.8639 1.2827 1.4719 -0.3235 -0.0092 -0.2292 148 TRP L C 2956 O O . TRP B 150 ? 0.8882 1.3450 1.5306 -0.3613 -0.0140 -0.2233 148 TRP L O 2957 C CB . TRP B 150 ? 0.8754 1.1460 1.3800 -0.3204 -0.0159 -0.2106 148 TRP L CB 2958 C CG . TRP B 150 ? 0.8551 1.0583 1.3101 -0.2959 -0.0278 -0.2109 148 TRP L CG 2959 C CD1 . TRP B 150 ? 0.8651 1.0081 1.2878 -0.2964 -0.0483 -0.2057 148 TRP L CD1 2960 C CD2 . TRP B 150 ? 0.8130 1.0074 1.2436 -0.2689 -0.0196 -0.2175 148 TRP L CD2 2961 N NE1 . TRP B 150 ? 0.8438 0.9564 1.2294 -0.2693 -0.0512 -0.2075 148 TRP L NE1 2962 C CE2 . TRP B 150 ? 0.8129 0.9559 1.2039 -0.2573 -0.0341 -0.2137 148 TRP L CE2 2963 C CE3 . TRP B 150 ? 0.7998 1.0228 1.2345 -0.2545 -0.0021 -0.2275 148 TRP L CE3 2964 C CZ2 . TRP B 150 ? 0.7902 0.9207 1.1524 -0.2397 -0.0306 -0.2170 148 TRP L CZ2 2965 C CZ3 . TRP B 150 ? 0.7858 0.9780 1.1847 -0.2382 -0.0011 -0.2324 148 TRP L CZ3 2966 C CH2 . TRP B 150 ? 0.7839 0.9359 1.1504 -0.2348 -0.0148 -0.2259 148 TRP L CH2 2967 N N . GLU B 151 ? 0.8570 1.3142 1.4685 -0.2960 0.0123 -0.2379 149 GLU L N 2968 C CA . GLU B 151 ? 0.8706 1.4277 1.5267 -0.3022 0.0363 -0.2404 149 GLU L CA 2969 C C . GLU B 151 ? 0.8744 1.4375 1.5012 -0.2856 0.0659 -0.2417 149 GLU L C 2970 O O . GLU B 151 ? 0.8774 1.3716 1.4534 -0.2658 0.0658 -0.2450 149 GLU L O 2971 C CB . GLU B 151 ? 0.8662 1.4985 1.5735 -0.2694 0.0264 -0.2609 149 GLU L CB 2972 C CG . GLU B 151 ? 0.8888 1.5977 1.6572 -0.3043 0.0128 -0.2588 149 GLU L CG 2973 C CD . GLU B 151 ? 0.9110 1.7311 1.7381 -0.2681 0.0100 -0.2787 149 GLU L CD 2974 O OE1 . GLU B 151 ? 0.9279 1.7260 1.7358 -0.2086 0.0050 -0.2950 149 GLU L OE1 2975 O OE2 . GLU B 151 ? 0.9297 1.8592 1.8195 -0.2992 0.0121 -0.2774 149 GLU L OE2 2976 N N . ALA B 152 ? 0.8788 1.5333 1.5390 -0.2971 0.0912 -0.2397 150 ALA L N 2977 C CA . ALA B 152 ? 0.8876 1.5658 1.5228 -0.2787 0.1212 -0.2445 150 ALA L CA 2978 C C . ALA B 152 ? 0.8949 1.7026 1.5830 -0.2760 0.1460 -0.2501 150 ALA L C 2979 O O . ALA B 152 ? 0.9018 1.7712 1.6158 -0.3221 0.1623 -0.2300 150 ALA L O 2980 C CB . ALA B 152 ? 0.9016 1.5272 1.4862 -0.3107 0.1334 -0.2218 150 ALA L CB 2981 N N . ASP B 153 ? 0.8968 1.7433 1.5965 -0.2202 0.1484 -0.2770 151 ASP L N 2982 C CA . ASP B 153 ? 0.9054 1.8885 1.6574 -0.2002 0.1703 -0.2885 151 ASP L CA 2983 C C . ASP B 153 ? 0.8863 1.9653 1.7156 -0.2332 0.1587 -0.2802 151 ASP L C 2984 O O . ASP B 153 ? 0.8914 2.0939 1.7705 -0.2615 0.1812 -0.2715 151 ASP L O 2985 C CB . ASP B 153 ? 0.9285 1.9663 1.6647 -0.2173 0.2093 -0.2785 151 ASP L CB 2986 C CG . ASP B 153 ? 0.9491 1.8943 1.6057 -0.1903 0.2178 -0.2884 151 ASP L CG 2987 O OD1 . ASP B 153 ? 0.9289 1.7589 1.5426 -0.1787 0.1936 -0.2943 151 ASP L OD1 2988 O OD2 . ASP B 153 ? 0.9789 1.9723 1.6152 -0.1831 0.2486 -0.2907 151 ASP L OD2 2989 N N . GLY B 154 ? 0.8658 1.8901 1.7026 -0.2316 0.1231 -0.2835 152 GLY L N 2990 C CA . GLY B 154 ? 0.8527 1.9597 1.7587 -0.2575 0.1032 -0.2823 152 GLY L CA 2991 C C . GLY B 154 ? 0.8578 1.9454 1.7707 -0.3400 0.0996 -0.2548 152 GLY L C 2992 O O . GLY B 154 ? 0.8608 1.9979 1.8226 -0.3770 0.0796 -0.2523 152 GLY L O 2993 N N . THR B 155 ? 0.8668 1.8769 1.7244 -0.3676 0.1173 -0.2348 153 THR L N 2994 C CA . THR B 155 ? 0.8883 1.8474 1.7297 -0.4402 0.1142 -0.2059 153 THR L CA 2995 C C . THR B 155 ? 0.8902 1.6971 1.6713 -0.4378 0.0849 -0.2021 153 THR L C 2996 O O . THR B 155 ? 0.8843 1.6119 1.6089 -0.4049 0.0887 -0.2040 153 THR L O 2997 C CB . THR B 155 ? 0.9167 1.8845 1.7266 -0.4701 0.1517 -0.1819 153 THR L CB 2998 O OG1 . THR B 155 ? 0.9047 2.0268 1.7742 -0.4859 0.1809 -0.1804 153 THR L OG1 2999 C CG2 . THR B 155 ? 0.9559 1.8297 1.7242 -0.5345 0.1447 -0.1502 153 THR L CG2 3000 N N . PRO B 156 ? 0.9047 1.6758 1.6963 -0.4734 0.0551 -0.1982 154 PRO L N 3001 C CA . PRO B 156 ? 0.9103 1.5456 1.6432 -0.4646 0.0277 -0.1968 154 PRO L CA 3002 C C . PRO B 156 ? 0.9508 1.4893 1.6183 -0.4947 0.0364 -0.1707 154 PRO L C 3003 O O . PRO B 156 ? 0.9924 1.5400 1.6598 -0.5494 0.0485 -0.1487 154 PRO L O 3004 C CB . PRO B 156 ? 0.9275 1.5649 1.6915 -0.4919 -0.0070 -0.2045 154 PRO L CB 3005 C CG . PRO B 156 ? 0.9158 1.7023 1.7623 -0.5147 0.0011 -0.2110 154 PRO L CG 3006 C CD . PRO B 156 ? 0.9200 1.7782 1.7762 -0.5216 0.0437 -0.1979 154 PRO L CD 3007 N N . ILE B 157 ? 0.9408 1.3897 1.5509 -0.4577 0.0297 -0.1726 155 ILE L N 3008 C CA . ILE B 157 ? 0.9787 1.3325 1.5198 -0.4701 0.0327 -0.1507 155 ILE L CA 3009 C C . ILE B 157 ? 1.0045 1.2584 1.5087 -0.4699 -0.0009 -0.1516 155 ILE L C 3010 O O . ILE B 157 ? 0.9765 1.2075 1.4760 -0.4317 -0.0199 -0.1694 155 ILE L O 3011 C CB . ILE B 157 ? 0.9526 1.2874 1.4530 -0.4277 0.0479 -0.1533 155 ILE L CB 3012 C CG1 . ILE B 157 ? 0.9304 1.3595 1.4625 -0.4142 0.0774 -0.1622 155 ILE L CG1 3013 C CG2 . ILE B 157 ? 1.0073 1.2675 1.4408 -0.4393 0.0534 -0.1285 155 ILE L CG2 3014 C CD1 . ILE B 157 ? 0.9139 1.3220 1.4014 -0.3801 0.0909 -0.1673 155 ILE L CD1 3015 N N . THR B 158 ? 1.0749 1.2644 1.5463 -0.5124 -0.0077 -0.1317 156 THR L N 3016 C CA . THR B 158 ? 1.1239 1.2062 1.5483 -0.5107 -0.0402 -0.1336 156 THR L CA 3017 C C . THR B 158 ? 1.1688 1.1544 1.5118 -0.4912 -0.0379 -0.1154 156 THR L C 3018 O O . THR B 158 ? 1.1512 1.0907 1.4581 -0.4453 -0.0515 -0.1246 156 THR L O 3019 C CB . THR B 158 ? 1.1965 1.2539 1.6311 -0.5723 -0.0576 -0.1283 156 THR L CB 3020 O OG1 . THR B 158 ? 1.2520 1.2879 1.6619 -0.6229 -0.0374 -0.0979 156 THR L OG1 3021 C CG2 . THR B 158 ? 1.1586 1.3320 1.6800 -0.5906 -0.0623 -0.1475 156 THR L CG2 3022 N N . GLN B 159 ? 1.2343 1.1976 1.5484 -0.5259 -0.0198 -0.0880 157 GLN L N 3023 C CA . GLN B 159 ? 1.2974 1.1680 1.5280 -0.5072 -0.0185 -0.0666 157 GLN L CA 3024 C C . GLN B 159 ? 1.2323 1.1496 1.4566 -0.4584 -0.0014 -0.0708 157 GLN L C 3025 O O . GLN B 159 ? 1.1866 1.1932 1.4503 -0.4617 0.0240 -0.0730 157 GLN L O 3026 C CB . GLN B 159 ? 1.3940 1.2266 1.5900 -0.5600 -0.0024 -0.0323 157 GLN L CB 3027 C CG . GLN B 159 ? 1.4884 1.2555 1.6775 -0.6194 -0.0217 -0.0256 157 GLN L CG 3028 C CD . GLN B 159 ? 1.5893 1.3340 1.7518 -0.6838 -0.0007 0.0114 157 GLN L CD 3029 O OE1 . GLN B 159 ? 1.5948 1.3578 1.7304 -0.6758 0.0268 0.0342 157 GLN L OE1 3030 N NE2 . GLN B 159 ? 1.6697 1.3753 1.8366 -0.7515 -0.0138 0.0180 157 GLN L NE2 3031 N N . GLY B 160 ? 1.2369 1.0952 1.4091 -0.4129 -0.0167 -0.0737 158 GLY L N 3032 C CA . GLY B 160 ? 1.1757 1.0767 1.3385 -0.3700 -0.0060 -0.0796 158 GLY L CA 3033 C C . GLY B 160 ? 1.1002 1.0321 1.2926 -0.3365 -0.0193 -0.1071 158 GLY L C 3034 O O . GLY B 160 ? 1.0507 1.0241 1.2436 -0.3085 -0.0124 -0.1159 158 GLY L O 3035 N N . VAL B 161 ? 1.0980 1.0074 1.3111 -0.3435 -0.0395 -0.1199 159 VAL L N 3036 C CA . VAL B 161 ? 1.0399 0.9712 1.2756 -0.3143 -0.0535 -0.1430 159 VAL L CA 3037 C C . VAL B 161 ? 1.0806 0.9419 1.2673 -0.2843 -0.0785 -0.1469 159 VAL L C 3038 O O . VAL B 161 ? 1.1530 0.9354 1.2959 -0.2914 -0.0925 -0.1378 159 VAL L O 3039 C CB . VAL B 161 ? 1.0097 0.9817 1.3060 -0.3351 -0.0598 -0.1586 159 VAL L CB 3040 C CG1 . VAL B 161 ? 0.9497 0.9439 1.2618 -0.3019 -0.0711 -0.1787 159 VAL L CG1 3041 C CG2 . VAL B 161 ? 0.9798 1.0277 1.3248 -0.3612 -0.0348 -0.1557 159 VAL L CG2 3042 N N . LYS B 162 ? 1.0443 0.9333 1.2341 -0.2502 -0.0833 -0.1607 160 LYS L N 3043 C CA . LYS B 162 ? 1.0805 0.9244 1.2295 -0.2151 -0.1049 -0.1682 160 LYS L CA 3044 C C . LYS B 162 ? 1.0255 0.9146 1.2002 -0.1959 -0.1091 -0.1849 160 LYS L C 3045 O O . LYS B 162 ? 0.9695 0.9165 1.1673 -0.1933 -0.0936 -0.1864 160 LYS L O 3046 C CB . LYS B 162 ? 1.1161 0.9398 1.2085 -0.1812 -0.1031 -0.1565 160 LYS L CB 3047 C CG . LYS B 162 ? 1.0848 0.9823 1.1907 -0.1752 -0.0820 -0.1517 160 LYS L CG 3048 C CD . LYS B 162 ? 1.1319 1.0241 1.1841 -0.1376 -0.0842 -0.1414 160 LYS L CD 3049 C CE . LYS B 162 ? 1.0741 1.0521 1.1427 -0.1340 -0.0681 -0.1420 160 LYS L CE 3050 N NZ . LYS B 162 ? 1.0817 1.0787 1.1053 -0.0934 -0.0730 -0.1347 160 LYS L NZ 3051 N N . THR B 163 ? 1.0553 0.9100 1.2194 -0.1848 -0.1313 -0.1971 161 THR L N 3052 C CA . THR B 163 ? 1.0221 0.9100 1.2011 -0.1661 -0.1374 -0.2103 161 THR L CA 3053 C C . THR B 163 ? 1.0604 0.9188 1.1883 -0.1256 -0.1527 -0.2162 161 THR L C 3054 O O . THR B 163 ? 1.1304 0.9215 1.2174 -0.1152 -0.1713 -0.2205 161 THR L O 3055 C CB . THR B 163 ? 1.0216 0.9131 1.2389 -0.1861 -0.1511 -0.2226 161 THR L CB 3056 O OG1 . THR B 163 ? 1.0117 0.9320 1.2740 -0.2222 -0.1383 -0.2177 161 THR L OG1 3057 C CG2 . THR B 163 ? 0.9773 0.9086 1.2108 -0.1677 -0.1521 -0.2311 161 THR L CG2 3058 N N . THR B 164 ? 1.0263 0.9343 1.1527 -0.1037 -0.1443 -0.2167 162 THR L N 3059 C CA . THR B 164 ? 1.0542 0.9594 1.1353 -0.0616 -0.1535 -0.2216 162 THR L CA 3060 C C . THR B 164 ? 1.0911 0.9687 1.1617 -0.0502 -0.1744 -0.2366 162 THR L C 3061 O O . THR B 164 ? 1.0724 0.9541 1.1781 -0.0732 -0.1797 -0.2421 162 THR L O 3062 C CB . THR B 164 ? 1.0034 0.9848 1.0887 -0.0501 -0.1355 -0.2149 162 THR L CB 3063 O OG1 . THR B 164 ? 0.9222 0.9303 1.0380 -0.0685 -0.1305 -0.2166 162 THR L OG1 3064 C CG2 . THR B 164 ? 0.9917 1.0097 1.0879 -0.0634 -0.1171 -0.2030 162 THR L CG2 3065 N N . GLN B 165 ? 1.1562 1.0093 1.1745 -0.0093 -0.1873 -0.2446 163 GLN L N 3066 C CA . GLN B 165 ? 1.1995 1.0315 1.1949 0.0106 -0.2075 -0.2610 163 GLN L CA 3067 C C . GLN B 165 ? 1.1536 1.0566 1.1644 0.0166 -0.1946 -0.2560 163 GLN L C 3068 O O . GLN B 165 ? 1.1241 1.0863 1.1353 0.0246 -0.1739 -0.2438 163 GLN L O 3069 C CB . GLN B 165 ? 1.2838 1.0642 1.2082 0.0595 -0.2246 -0.2736 163 GLN L CB 3070 C CG . GLN B 165 ? 1.2921 1.1323 1.1879 0.1046 -0.2087 -0.2666 163 GLN L CG 3071 C CD . GLN B 165 ? 1.3768 1.1800 1.2008 0.1643 -0.2260 -0.2839 163 GLN L CD 3072 O OE1 . GLN B 165 ? 1.4743 1.1805 1.2574 0.1723 -0.2521 -0.3011 163 GLN L OE1 3073 N NE2 . GLN B 165 ? 1.3633 1.2460 1.1693 0.2058 -0.2118 -0.2807 163 GLN L NE2 3074 N N . PRO B 166 ? 1.1584 1.0559 1.1792 0.0105 -0.2075 -0.2642 164 PRO L N 3075 C CA . PRO B 166 ? 1.1344 1.0845 1.1577 0.0159 -0.1954 -0.2556 164 PRO L CA 3076 C C . PRO B 166 ? 1.1670 1.1487 1.1418 0.0558 -0.1900 -0.2546 164 PRO L C 3077 O O . PRO B 166 ? 1.2197 1.1692 1.1501 0.0911 -0.2056 -0.2692 164 PRO L O 3078 C CB . PRO B 166 ? 1.1498 1.0768 1.1803 0.0121 -0.2171 -0.2667 164 PRO L CB 3079 C CG . PRO B 166 ? 1.1633 1.0468 1.2192 -0.0116 -0.2346 -0.2787 164 PRO L CG 3080 C CD . PRO B 166 ? 1.1910 1.0383 1.2194 -0.0039 -0.2342 -0.2804 164 PRO L CD 3081 N N . SER B 167 ? 1.1428 1.1876 1.1239 0.0487 -0.1673 -0.2377 165 SER L N 3082 C CA . SER B 167 ? 1.1734 1.2730 1.1153 0.0804 -0.1573 -0.2331 165 SER L CA 3083 C C . SER B 167 ? 1.1716 1.3074 1.1129 0.0630 -0.1439 -0.2166 165 SER L C 3084 O O . SER B 167 ? 1.1368 1.2640 1.1088 0.0253 -0.1359 -0.2050 165 SER L O 3085 C CB . SER B 167 ? 1.1585 1.3180 1.1011 0.0894 -0.1390 -0.2253 165 SER L CB 3086 O OG . SER B 167 ? 1.1266 1.3496 1.0986 0.0516 -0.1144 -0.2056 165 SER L OG 3087 N N . LYS B 168 ? 1.2215 1.3934 1.1201 0.0934 -0.1412 -0.2152 166 LYS L N 3088 C CA . LYS B 168 ? 1.2498 1.4441 1.1322 0.0802 -0.1305 -0.1973 166 LYS L CA 3089 C C . LYS B 168 ? 1.2390 1.5022 1.1341 0.0442 -0.0996 -0.1715 166 LYS L C 3090 O O . LYS B 168 ? 1.2396 1.5775 1.1354 0.0509 -0.0838 -0.1680 166 LYS L O 3091 C CB . LYS B 168 ? 1.3054 1.5158 1.1309 0.1255 -0.1381 -0.2042 166 LYS L CB 3092 C CG . LYS B 168 ? 1.3511 1.5648 1.1497 0.1146 -0.1323 -0.1850 166 LYS L CG 3093 C CD . LYS B 168 ? 1.4326 1.6622 1.1700 0.1632 -0.1411 -0.1942 166 LYS L CD 3094 C CE . LYS B 168 ? 1.4884 1.6831 1.1956 0.1599 -0.1505 -0.1827 166 LYS L CE 3095 N NZ . LYS B 168 ? 1.5511 1.7641 1.1919 0.2078 -0.1587 -0.1913 166 LYS L NZ 3096 N N . SER B 169 ? 1.2459 1.4811 1.1491 0.0055 -0.0929 -0.1545 168 SER L N 3097 C CA . SER B 169 ? 1.2690 1.5509 1.1536 -0.0261 -0.0682 -0.1271 168 SER L CA 3098 C C . SER B 169 ? 1.3227 1.5815 1.1578 -0.0064 -0.0745 -0.1182 168 SER L C 3099 O O . SER B 169 ? 1.3389 1.5350 1.1647 0.0196 -0.0994 -0.1323 168 SER L O 3100 C CB . SER B 169 ? 1.2607 1.5084 1.1676 -0.0808 -0.0574 -0.1125 168 SER L CB 3101 O OG . SER B 169 ? 1.2728 1.4328 1.1915 -0.0778 -0.0764 -0.1219 168 SER L OG 3102 N N . ASP B 170 ? 1.3549 1.6684 1.1576 -0.0233 -0.0518 -0.0929 170 ASP L N 3103 C CA . ASP B 170 ? 1.4087 1.7297 1.1545 0.0069 -0.0538 -0.0847 170 ASP L CA 3104 C C . ASP B 170 ? 1.4297 1.6557 1.1539 0.0274 -0.0814 -0.0914 170 ASP L C 3105 O O . ASP B 170 ? 1.4549 1.6731 1.1484 0.0741 -0.1008 -0.1080 170 ASP L O 3106 C CB . ASP B 170 ? 1.4559 1.8314 1.1687 -0.0325 -0.0227 -0.0476 170 ASP L CB 3107 C CG . ASP B 170 ? 1.4535 1.9609 1.1749 -0.0317 0.0020 -0.0442 170 ASP L CG 3108 O OD1 . ASP B 170 ? 1.4411 1.9890 1.1789 0.0153 -0.0074 -0.0716 170 ASP L OD1 3109 O OD2 . ASP B 170 ? 1.4985 2.0697 1.2078 -0.0781 0.0303 -0.0139 170 ASP L OD2 3110 N N . SER B 171 ? 1.4223 1.5788 1.1593 -0.0046 -0.0847 -0.0802 171 SER L N 3111 C CA . SER B 171 ? 1.4528 1.5332 1.1652 0.0167 -0.1091 -0.0814 171 SER L CA 3112 C C . SER B 171 ? 1.3982 1.4310 1.1624 0.0267 -0.1351 -0.1095 171 SER L C 3113 O O . SER B 171 ? 1.4226 1.4034 1.1812 0.0438 -0.1578 -0.1143 171 SER L O 3114 C CB . SER B 171 ? 1.5045 1.5329 1.1784 -0.0161 -0.0963 -0.0464 171 SER L CB 3115 O OG . SER B 171 ? 1.4861 1.4800 1.1954 -0.0582 -0.0867 -0.0424 171 SER L OG 3116 N N . LYS B 172 ? 1.3210 1.3807 1.1343 0.0167 -0.1311 -0.1266 172 LYS L N 3117 C CA . LYS B 172 ? 1.2621 1.2861 1.1286 0.0144 -0.1485 -0.1484 172 LYS L CA 3118 C C . LYS B 172 ? 1.1942 1.2493 1.0966 0.0156 -0.1475 -0.1677 172 LYS L C 3119 O O . LYS B 172 ? 1.1896 1.2969 1.0803 0.0187 -0.1319 -0.1642 172 LYS L O 3120 C CB . LYS B 172 ? 1.2628 1.2485 1.1489 -0.0202 -0.1374 -0.1345 172 LYS L CB 3121 C CG . LYS B 172 ? 1.3361 1.2637 1.1900 -0.0093 -0.1490 -0.1222 172 LYS L CG 3122 C CD . LYS B 172 ? 1.3956 1.2793 1.2334 -0.0447 -0.1296 -0.0992 172 LYS L CD 3123 C CE . LYS B 172 ? 1.4591 1.2706 1.2804 -0.0253 -0.1465 -0.0961 172 LYS L CE 3124 N NZ . LYS B 172 ? 1.4986 1.2484 1.3042 -0.0560 -0.1310 -0.0814 172 LYS L NZ 3125 N N . TYR B 173 ? 1.1428 1.1683 1.0861 0.0153 -0.1648 -0.1873 173 TYR L N 3126 C CA . TYR B 173 ? 1.0938 1.1312 1.0682 0.0112 -0.1639 -0.2017 173 TYR L CA 3127 C C . TYR B 173 ? 1.0410 1.0766 1.0590 -0.0244 -0.1483 -0.1956 173 TYR L C 3128 O O . TYR B 173 ? 1.0388 1.0491 1.0711 -0.0398 -0.1472 -0.1897 173 TYR L O 3129 C CB . TYR B 173 ? 1.1062 1.1099 1.0899 0.0294 -0.1936 -0.2273 173 TYR L CB 3130 C CG . TYR B 173 ? 1.1658 1.1667 1.1006 0.0673 -0.2101 -0.2413 173 TYR L CG 3131 C CD1 . TYR B 173 ? 1.2197 1.2109 1.1196 0.0891 -0.2270 -0.2444 173 TYR L CD1 3132 C CD2 . TYR B 173 ? 1.1942 1.1975 1.1105 0.0867 -0.2105 -0.2529 173 TYR L CD2 3133 C CE1 . TYR B 173 ? 1.2821 1.2689 1.1306 0.1266 -0.2429 -0.2606 173 TYR L CE1 3134 C CE2 . TYR B 173 ? 1.2593 1.2520 1.1220 0.1279 -0.2266 -0.2695 173 TYR L CE2 3135 C CZ . TYR B 173 ? 1.3047 1.2902 1.1340 0.1465 -0.2425 -0.2745 173 TYR L CZ 3136 O OH . TYR B 173 ? 1.3670 1.3405 1.1368 0.1900 -0.2593 -0.2942 173 TYR L OH 3137 N N . MET B 174 ? 1.0059 1.0672 1.0389 -0.0316 -0.1376 -0.1981 174 MET L N 3138 C CA . MET B 174 ? 0.9678 1.0333 1.0368 -0.0633 -0.1229 -0.1943 174 MET L CA 3139 C C . MET B 174 ? 0.9391 1.0019 1.0295 -0.0607 -0.1276 -0.2060 174 MET L C 3140 O O . MET B 174 ? 0.9540 1.0242 1.0233 -0.0363 -0.1340 -0.2122 174 MET L O 3141 C CB . MET B 174 ? 0.9679 1.0787 1.0264 -0.0863 -0.0985 -0.1773 174 MET L CB 3142 C CG . MET B 174 ? 0.9917 1.1638 1.0262 -0.0666 -0.0917 -0.1742 174 MET L CG 3143 S SD . MET B 174 ? 0.9744 1.2250 1.0198 -0.0983 -0.0665 -0.1615 174 MET L SD 3144 C CE . MET B 174 ? 1.0008 1.3325 1.0180 -0.0551 -0.0640 -0.1622 174 MET L CE 3145 N N . ALA B 175 ? 0.9106 0.9587 1.0367 -0.0837 -0.1237 -0.2083 175 ALA L N 3146 C CA . ALA B 175 ? 0.8984 0.9405 1.0420 -0.0884 -0.1246 -0.2143 175 ALA L CA 3147 C C . ALA B 175 ? 0.8745 0.9253 1.0490 -0.1172 -0.1087 -0.2106 175 ALA L C 3148 O O . ALA B 175 ? 0.8714 0.9231 1.0542 -0.1322 -0.0994 -0.2071 175 ALA L O 3149 C CB . ALA B 175 ? 0.9187 0.9211 1.0700 -0.0809 -0.1471 -0.2276 175 ALA L CB 3150 N N . THR B 176 ? 0.8723 0.9217 1.0554 -0.1222 -0.1063 -0.2116 176 THR L N 3151 C CA . THR B 176 ? 0.8599 0.9182 1.0689 -0.1468 -0.0917 -0.2098 176 THR L CA 3152 C C . THR B 176 ? 0.8638 0.9027 1.0841 -0.1528 -0.0955 -0.2109 176 THR L C 3153 O O . THR B 176 ? 0.8869 0.9022 1.0834 -0.1386 -0.1064 -0.2101 176 THR L O 3154 C CB . THR B 176 ? 0.8500 0.9469 1.0474 -0.1565 -0.0748 -0.2024 176 THR L CB 3155 O OG1 . THR B 176 ? 0.8822 0.9946 1.0573 -0.1381 -0.0777 -0.1983 176 THR L OG1 3156 C CG2 . THR B 176 ? 0.8587 0.9746 1.0422 -0.1625 -0.0690 -0.1982 176 THR L CG2 3157 N N . SER B 177 ? 0.8539 0.8993 1.1051 -0.1735 -0.0857 -0.2123 177 SER L N 3158 C CA . SER B 177 ? 0.8687 0.9037 1.1315 -0.1885 -0.0836 -0.2091 177 SER L CA 3159 C C . SER B 177 ? 0.8580 0.9184 1.1226 -0.2020 -0.0626 -0.2029 177 SER L C 3160 O O . SER B 177 ? 0.8281 0.9118 1.1022 -0.2074 -0.0504 -0.2074 177 SER L O 3161 C CB . SER B 177 ? 0.8692 0.9054 1.1710 -0.2023 -0.0905 -0.2166 177 SER L CB 3162 O OG . SER B 177 ? 0.8669 0.8850 1.1724 -0.2218 -0.0935 -0.2112 177 SER L OG 3163 N N . TYR B 178 ? 0.8877 0.9346 1.1351 -0.2065 -0.0602 -0.1928 178 TYR L N 3164 C CA . TYR B 178 ? 0.8908 0.9612 1.1323 -0.2171 -0.0420 -0.1855 178 TYR L CA 3165 C C . TYR B 178 ? 0.9166 0.9811 1.1733 -0.2400 -0.0332 -0.1782 178 TYR L C 3166 O O . TYR B 178 ? 0.9477 0.9733 1.1951 -0.2479 -0.0430 -0.1701 178 TYR L O 3167 C CB . TYR B 178 ? 0.9117 0.9806 1.1104 -0.1986 -0.0445 -0.1756 178 TYR L CB 3168 C CG . TYR B 178 ? 0.9032 0.9938 1.0877 -0.1772 -0.0519 -0.1805 178 TYR L CG 3169 C CD1 . TYR B 178 ? 0.8782 1.0133 1.0714 -0.1862 -0.0424 -0.1864 178 TYR L CD1 3170 C CD2 . TYR B 178 ? 0.9447 1.0110 1.1025 -0.1496 -0.0679 -0.1794 178 TYR L CD2 3171 C CE1 . TYR B 178 ? 0.8596 1.0239 1.0411 -0.1746 -0.0466 -0.1877 178 TYR L CE1 3172 C CE2 . TYR B 178 ? 0.9357 1.0370 1.0816 -0.1295 -0.0713 -0.1827 178 TYR L CE2 3173 C CZ . TYR B 178 ? 0.8743 1.0295 1.0348 -0.1453 -0.0596 -0.1851 178 TYR L CZ 3174 O OH . TYR B 178 ? 0.8959 1.0944 1.0458 -0.1331 -0.0607 -0.1854 178 TYR L OH 3175 N N . LEU B 179 ? 0.9085 1.0108 1.1843 -0.2524 -0.0143 -0.1815 179 LEU L N 3176 C CA . LEU B 179 ? 0.9374 1.0529 1.2247 -0.2746 0.0008 -0.1724 179 LEU L CA 3177 C C . LEU B 179 ? 0.9569 1.0849 1.2101 -0.2736 0.0155 -0.1626 179 LEU L C 3178 O O . LEU B 179 ? 0.9308 1.0872 1.1783 -0.2661 0.0232 -0.1732 179 LEU L O 3179 C CB . LEU B 179 ? 0.9175 1.0775 1.2516 -0.2824 0.0124 -0.1859 179 LEU L CB 3180 C CG . LEU B 179 ? 0.9309 1.1240 1.2890 -0.3080 0.0291 -0.1771 179 LEU L CG 3181 C CD1 . LEU B 179 ? 0.9564 1.1237 1.3255 -0.3316 0.0153 -0.1660 179 LEU L CD1 3182 C CD2 . LEU B 179 ? 0.9013 1.1534 1.3021 -0.3021 0.0422 -0.1944 179 LEU L CD2 3183 N N . THR B 180 ? 1.0097 1.1102 1.2342 -0.2826 0.0172 -0.1421 180 THR L N 3184 C CA . THR B 180 ? 1.0421 1.1504 1.2253 -0.2777 0.0282 -0.1290 180 THR L CA 3185 C C . THR B 180 ? 1.0735 1.2002 1.2583 -0.3031 0.0504 -0.1156 180 THR L C 3186 O O . THR B 180 ? 1.1189 1.2085 1.2881 -0.3223 0.0514 -0.0943 180 THR L O 3187 C CB . THR B 180 ? 1.0908 1.1468 1.2206 -0.2572 0.0120 -0.1121 180 THR L CB 3188 O OG1 . THR B 180 ? 1.0652 1.1393 1.1869 -0.2284 -0.0007 -0.1244 180 THR L OG1 3189 C CG2 . THR B 180 ? 1.1427 1.1936 1.2249 -0.2562 0.0228 -0.0905 180 THR L CG2 3190 N N . MET B 181 ? 1.0603 1.2418 1.2587 -0.3039 0.0685 -0.1285 181 MET L N 3191 C CA . MET B 181 ? 1.0935 1.3096 1.2903 -0.3223 0.0938 -0.1185 181 MET L CA 3192 C C . MET B 181 ? 1.1309 1.3451 1.2696 -0.3128 0.0997 -0.1042 181 MET L C 3193 O O . MET B 181 ? 1.1451 1.3278 1.2468 -0.2937 0.0826 -0.0971 181 MET L O 3194 C CB . MET B 181 ? 1.0622 1.3375 1.2970 -0.3194 0.1098 -0.1442 181 MET L CB 3195 C CG . MET B 181 ? 1.0581 1.3495 1.3509 -0.3242 0.1058 -0.1572 181 MET L CG 3196 S SD . MET B 181 ? 1.0877 1.4437 1.4126 -0.3080 0.1250 -0.1867 181 MET L SD 3197 C CE . MET B 181 ? 1.0552 1.3728 1.3517 -0.2819 0.1091 -0.2113 181 MET L CE 3198 N N . THR B 182 ? 1.1587 1.4135 1.2881 -0.3230 0.1239 -0.0999 182 THR L N 3199 C CA . THR B 182 ? 1.1883 1.4587 1.2643 -0.3107 0.1307 -0.0941 182 THR L CA 3200 C C . THR B 182 ? 1.1647 1.4890 1.2531 -0.3025 0.1420 -0.1264 182 THR L C 3201 O O . THR B 182 ? 1.1301 1.4707 1.2636 -0.3029 0.1448 -0.1494 182 THR L O 3202 C CB . THR B 182 ? 1.2532 1.5198 1.2922 -0.3287 0.1507 -0.0608 182 THR L CB 3203 O OG1 . THR B 182 ? 1.2448 1.5558 1.3258 -0.3540 0.1754 -0.0621 182 THR L OG1 3204 C CG2 . THR B 182 ? 1.3066 1.4954 1.3126 -0.3351 0.1361 -0.0280 182 THR L CG2 3205 N N . ALA B 183 ? 1.1957 1.5422 1.2376 -0.2925 0.1464 -0.1290 183 ALA L N 3206 C CA . ALA B 183 ? 1.1890 1.5739 1.2277 -0.2852 0.1547 -0.1625 183 ALA L CA 3207 C C . ALA B 183 ? 1.1942 1.6125 1.2637 -0.2909 0.1808 -0.1715 183 ALA L C 3208 O O . ALA B 183 ? 1.1700 1.5956 1.2699 -0.2825 0.1814 -0.2010 183 ALA L O 3209 C CB . ALA B 183 ? 1.2288 1.6372 1.2065 -0.2768 0.1565 -0.1610 183 ALA L CB 3210 N N . ASP B 184 ? 1.2317 1.6713 1.2900 -0.3042 0.2024 -0.1438 184 ASP L N 3211 C CA . ASP B 184 ? 1.2434 1.7396 1.3294 -0.3101 0.2323 -0.1484 184 ASP L CA 3212 C C . ASP B 184 ? 1.2044 1.7079 1.3600 -0.3200 0.2307 -0.1513 184 ASP L C 3213 O O . ASP B 184 ? 1.1919 1.7446 1.3838 -0.3088 0.2448 -0.1739 184 ASP L O 3214 C CB . ASP B 184 ? 1.3023 1.8261 1.3543 -0.3288 0.2583 -0.1129 184 ASP L CB 3215 C CG . ASP B 184 ? 1.3429 1.8097 1.3779 -0.3524 0.2476 -0.0700 184 ASP L CG 3216 O OD1 . ASP B 184 ? 1.3479 1.7592 1.3514 -0.3392 0.2212 -0.0657 184 ASP L OD1 3217 O OD2 . ASP B 184 ? 1.3876 1.8651 1.4374 -0.3841 0.2651 -0.0414 184 ASP L OD2 3218 N N . ALA B 185 ? 1.1899 1.6450 1.3599 -0.3366 0.2117 -0.1301 185 ALA L N 3219 C CA . ALA B 185 ? 1.1566 1.6170 1.3896 -0.3493 0.2053 -0.1319 185 ALA L CA 3220 C C . ALA B 185 ? 1.1114 1.5774 1.3765 -0.3211 0.1937 -0.1698 185 ALA L C 3221 O O . ALA B 185 ? 1.0921 1.5995 1.4082 -0.3171 0.1988 -0.1829 185 ALA L O 3222 C CB . ALA B 185 ? 1.1587 1.5494 1.3870 -0.3666 0.1813 -0.1085 185 ALA L CB 3223 N N . TRP B 186 ? 1.1034 1.5292 1.3346 -0.3022 0.1775 -0.1859 186 TRP L N 3224 C CA . TRP B 186 ? 1.0816 1.4898 1.3269 -0.2798 0.1638 -0.2182 186 TRP L CA 3225 C C . TRP B 186 ? 1.1101 1.5564 1.3531 -0.2579 0.1826 -0.2470 186 TRP L C 3226 O O . TRP B 186 ? 1.1033 1.5533 1.3752 -0.2380 0.1801 -0.2682 186 TRP L O 3227 C CB . TRP B 186 ? 1.0765 1.4369 1.2831 -0.2751 0.1427 -0.2251 186 TRP L CB 3228 C CG . TRP B 186 ? 1.0643 1.4036 1.2626 -0.2594 0.1352 -0.2581 186 TRP L CG 3229 C CD1 . TRP B 186 ? 1.0851 1.4166 1.2389 -0.2555 0.1357 -0.2790 186 TRP L CD1 3230 C CD2 . TRP B 186 ? 1.0352 1.3491 1.2624 -0.2472 0.1246 -0.2735 186 TRP L CD2 3231 N NE1 . TRP B 186 ? 1.0987 1.3913 1.2488 -0.2453 0.1264 -0.3059 186 TRP L NE1 3232 C CE2 . TRP B 186 ? 1.0647 1.3451 1.2580 -0.2374 0.1201 -0.3014 186 TRP L CE2 3233 C CE3 . TRP B 186 ? 1.0058 1.3188 1.2793 -0.2441 0.1167 -0.2665 186 TRP L CE3 3234 C CZ2 . TRP B 186 ? 1.0688 1.3061 1.2680 -0.2227 0.1093 -0.3188 186 TRP L CZ2 3235 C CZ3 . TRP B 186 ? 1.0013 1.2838 1.2847 -0.2259 0.1055 -0.2849 186 TRP L CZ3 3236 C CH2 . TRP B 186 ? 1.0336 1.2745 1.2777 -0.2144 0.1026 -0.3090 186 TRP L CH2 3237 N N . LYS B 187 ? 1.1503 1.6227 1.3526 -0.2568 0.2006 -0.2477 187 LYS L N 3238 C CA . LYS B 187 ? 1.1893 1.6822 1.3677 -0.2304 0.2150 -0.2808 187 LYS L CA 3239 C C . LYS B 187 ? 1.2053 1.7786 1.4123 -0.2212 0.2454 -0.2800 187 LYS L C 3240 O O . LYS B 187 ? 1.2439 1.8464 1.4282 -0.1937 0.2624 -0.3063 187 LYS L O 3241 C CB . LYS B 187 ? 1.2306 1.7120 1.3423 -0.2318 0.2157 -0.2877 187 LYS L CB 3242 C CG . LYS B 187 ? 1.2802 1.7330 1.3524 -0.2086 0.2117 -0.3308 187 LYS L CG 3243 C CD . LYS B 187 ? 1.3300 1.7665 1.3391 -0.2186 0.2024 -0.3383 187 LYS L CD 3244 C CE . LYS B 187 ? 1.3775 1.7573 1.3467 -0.2105 0.1863 -0.3803 187 LYS L CE 3245 N NZ . LYS B 187 ? 1.4008 1.7761 1.3125 -0.2266 0.1737 -0.3894 187 LYS L NZ 3246 N N . SER B 188 ? 1.1847 1.7957 1.4398 -0.2454 0.2519 -0.2506 188 SER L N 3247 C CA . SER B 188 ? 1.2002 1.9072 1.4917 -0.2473 0.2823 -0.2438 188 SER L CA 3248 C C . SER B 188 ? 1.1689 1.9145 1.5339 -0.2438 0.2763 -0.2483 188 SER L C 3249 O O . SER B 188 ? 1.1748 2.0144 1.5849 -0.2531 0.2983 -0.2394 188 SER L O 3250 C CB . SER B 188 ? 1.2214 1.9551 1.5013 -0.2896 0.2999 -0.2012 188 SER L CB 3251 O OG . SER B 188 ? 1.1969 1.8782 1.4934 -0.3234 0.2787 -0.1728 188 SER L OG 3252 N N . ARG B 189 ? 1.1402 1.8203 1.5161 -0.2312 0.2462 -0.2616 189 ARG L N 3253 C CA . ARG B 189 ? 1.1148 1.8231 1.5544 -0.2243 0.2340 -0.2668 189 ARG L CA 3254 C C . ARG B 189 ? 1.1181 1.7895 1.5509 -0.1743 0.2190 -0.3024 189 ARG L C 3255 O O . ARG B 189 ? 1.1277 1.7082 1.5158 -0.1659 0.2003 -0.3131 189 ARG L O 3256 C CB . ARG B 189 ? 1.0860 1.7458 1.5448 -0.2616 0.2094 -0.2415 189 ARG L CB 3257 C CG . ARG B 189 ? 1.1265 1.8010 1.5817 -0.3114 0.2214 -0.2044 189 ARG L CG 3258 C CD . ARG B 189 ? 1.1451 1.7735 1.6210 -0.3447 0.1965 -0.1841 189 ARG L CD 3259 N NE . ARG B 189 ? 1.2120 1.8516 1.6841 -0.3947 0.2091 -0.1489 189 ARG L NE 3260 C CZ . ARG B 189 ? 1.2532 1.8653 1.7446 -0.4332 0.1928 -0.1300 189 ARG L CZ 3261 N NH1 . ARG B 189 ? 1.2395 1.8211 1.7588 -0.4243 0.1633 -0.1442 189 ARG L NH1 3262 N NH2 . ARG B 189 ? 1.3062 1.9147 1.7823 -0.4820 0.2055 -0.0967 189 ARG L NH2 3263 N N . ASN B 190 ? 1.1209 1.8666 1.5969 -0.1420 0.2274 -0.3190 190 ASN L N 3264 C CA . ASN B 190 ? 1.1416 1.8536 1.6033 -0.0838 0.2159 -0.3535 190 ASN L CA 3265 C C . ASN B 190 ? 1.1247 1.7279 1.5680 -0.0816 0.1818 -0.3558 190 ASN L C 3266 O O . ASN B 190 ? 1.1533 1.6617 1.5358 -0.0753 0.1719 -0.3677 190 ASN L O 3267 C CB . ASN B 190 ? 1.1440 1.9653 1.6681 -0.0482 0.2241 -0.3653 190 ASN L CB 3268 C CG . ASN B 190 ? 1.1627 2.0925 1.6916 -0.0266 0.2607 -0.3758 190 ASN L CG 3269 O OD1 . ASN B 190 ? 1.1880 2.0829 1.6553 0.0031 0.2734 -0.3971 190 ASN L OD1 3270 N ND2 . ASN B 190 ? 1.1130 2.1795 1.7138 -0.0426 0.2777 -0.3621 190 ASN L ND2 3271 N N . THR B 191 ? 1.0813 1.7046 1.5764 -0.0890 0.1640 -0.3447 191 THR L N 3272 C CA . THR B 191 ? 1.0653 1.5982 1.5454 -0.0830 0.1330 -0.3456 191 THR L CA 3273 C C . THR B 191 ? 1.0092 1.5365 1.5204 -0.1267 0.1157 -0.3194 191 THR L C 3274 O O . THR B 191 ? 0.9876 1.5892 1.5563 -0.1424 0.1147 -0.3093 191 THR L O 3275 C CB . THR B 191 ? 1.0906 1.6329 1.5869 -0.0280 0.1208 -0.3663 191 THR L CB 3276 O OG1 . THR B 191 ? 1.1486 1.6971 1.6126 0.0212 0.1373 -0.3935 191 THR L OG1 3277 C CG2 . THR B 191 ? 1.0977 1.5313 1.5595 -0.0196 0.0916 -0.3664 191 THR L CG2 3278 N N . PHE B 192 ? 0.9932 1.4327 1.4630 -0.1458 0.1013 -0.3105 192 PHE L N 3279 C CA . PHE B 192 ? 0.9524 1.3662 1.4356 -0.1774 0.0817 -0.2896 192 PHE L CA 3280 C C . PHE B 192 ? 0.9491 1.3235 1.4371 -0.1553 0.0556 -0.2962 192 PHE L C 3281 O O . PHE B 192 ? 0.9796 1.3030 1.4345 -0.1245 0.0498 -0.3108 192 PHE L O 3282 C CB . PHE B 192 ? 0.9442 1.2986 1.3803 -0.2032 0.0802 -0.2762 192 PHE L CB 3283 C CG . PHE B 192 ? 0.9452 1.3335 1.3747 -0.2301 0.1003 -0.2609 192 PHE L CG 3284 C CD1 . PHE B 192 ? 0.9794 1.3900 1.3837 -0.2212 0.1225 -0.2710 192 PHE L CD1 3285 C CD2 . PHE B 192 ? 0.9387 1.3263 1.3772 -0.2629 0.0958 -0.2364 192 PHE L CD2 3286 C CE1 . PHE B 192 ? 0.9891 1.4299 1.3802 -0.2445 0.1413 -0.2542 192 PHE L CE1 3287 C CE2 . PHE B 192 ? 0.9592 1.3658 1.3811 -0.2869 0.1139 -0.2182 192 PHE L CE2 3288 C CZ . PHE B 192 ? 0.9819 1.4193 1.3812 -0.2778 0.1373 -0.2257 192 PHE L CZ 3289 N N . ILE B 193 ? 0.9209 1.3137 1.4442 -0.1728 0.0392 -0.2847 193 ILE L N 3290 C CA . ILE B 193 ? 0.9167 1.2764 1.4424 -0.1543 0.0124 -0.2883 193 ILE L CA 3291 C C . ILE B 193 ? 0.8949 1.2230 1.4181 -0.1838 -0.0060 -0.2726 193 ILE L C 3292 O O . ILE B 193 ? 0.8919 1.2484 1.4376 -0.2168 -0.0041 -0.2613 193 ILE L O 3293 C CB . ILE B 193 ? 0.9201 1.3547 1.4988 -0.1288 0.0049 -0.3000 193 ILE L CB 3294 C CG1 . ILE B 193 ? 0.9474 1.4281 1.5309 -0.0927 0.0256 -0.3172 193 ILE L CG1 3295 C CG2 . ILE B 193 ? 0.9249 1.3193 1.4940 -0.1003 -0.0233 -0.3047 193 ILE L CG2 3296 C CD1 . ILE B 193 ? 0.9554 1.5273 1.5932 -0.0587 0.0187 -0.3301 193 ILE L CD1 3297 N N . CYS B 194 ? 0.8963 1.1605 1.3853 -0.1715 -0.0232 -0.2719 194 CYS L N 3298 C CA . CYS B 194 ? 0.8905 1.1271 1.3746 -0.1857 -0.0445 -0.2625 194 CYS L CA 3299 C C . CYS B 194 ? 0.8971 1.1405 1.3976 -0.1605 -0.0677 -0.2712 194 CYS L C 3300 O O . CYS B 194 ? 0.9122 1.1275 1.3901 -0.1291 -0.0717 -0.2773 194 CYS L O 3301 C CB . CYS B 194 ? 0.8890 1.0632 1.3210 -0.1904 -0.0460 -0.2533 194 CYS L CB 3302 S SG . CYS B 194 ? 0.9410 1.0622 1.3348 -0.1638 -0.0609 -0.2557 194 CYS L SG 3303 N N . LYS B 195 ? 0.8911 1.1678 1.4260 -0.1764 -0.0842 -0.2714 195 LYS L N 3304 C CA . LYS B 195 ? 0.8965 1.1928 1.4509 -0.1556 -0.1104 -0.2808 195 LYS L CA 3305 C C . LYS B 195 ? 0.8986 1.1382 1.4184 -0.1592 -0.1331 -0.2766 195 LYS L C 3306 O O . LYS B 195 ? 0.9099 1.1406 1.4319 -0.1887 -0.1422 -0.2735 195 LYS L O 3307 C CB . LYS B 195 ? 0.9000 1.2842 1.5189 -0.1747 -0.1171 -0.2876 195 LYS L CB 3308 C CG . LYS B 195 ? 0.9217 1.3878 1.5829 -0.1471 -0.1061 -0.2988 195 LYS L CG 3309 C CD . LYS B 195 ? 0.9483 1.5218 1.6806 -0.1738 -0.1134 -0.3043 195 LYS L CD 3310 C CE . LYS B 195 ? 0.9717 1.6405 1.7488 -0.1292 -0.1167 -0.3201 195 LYS L CE 3311 N NZ . LYS B 195 ? 0.9706 1.7665 1.8250 -0.1599 -0.1241 -0.3258 195 LYS L NZ 3312 N N . VAL B 196 ? 0.9031 1.1000 1.3848 -0.1281 -0.1420 -0.2764 196 VAL L N 3313 C CA . VAL B 196 ? 0.9083 1.0595 1.3524 -0.1239 -0.1620 -0.2732 196 VAL L CA 3314 C C . VAL B 196 ? 0.9271 1.1033 1.3873 -0.1047 -0.1916 -0.2839 196 VAL L C 3315 O O . VAL B 196 ? 0.9364 1.1391 1.4101 -0.0750 -0.1964 -0.2892 196 VAL L O 3316 C CB . VAL B 196 ? 0.9177 1.0131 1.3057 -0.1071 -0.1530 -0.2631 196 VAL L CB 3317 C CG1 . VAL B 196 ? 0.9227 0.9860 1.2724 -0.0979 -0.1719 -0.2601 196 VAL L CG1 3318 C CG2 . VAL B 196 ? 0.8863 0.9668 1.2589 -0.1281 -0.1276 -0.2546 196 VAL L CG2 3319 N N . THR B 197 ? 0.9415 1.1062 1.3947 -0.1187 -0.2133 -0.2884 197 THR L N 3320 C CA . THR B 197 ? 0.9633 1.1552 1.4302 -0.1062 -0.2462 -0.3017 197 THR L CA 3321 C C . THR B 197 ? 0.9899 1.1282 1.4001 -0.0894 -0.2660 -0.3023 197 THR L C 3322 O O . THR B 197 ? 0.9998 1.0982 1.3822 -0.1061 -0.2704 -0.3031 197 THR L O 3323 C CB . THR B 197 ? 0.9682 1.2094 1.4861 -0.1454 -0.2600 -0.3130 197 THR L CB 3324 O OG1 . THR B 197 ? 0.9429 1.2645 1.5216 -0.1504 -0.2466 -0.3153 197 THR L OG1 3325 C CG2 . THR B 197 ? 1.0088 1.2636 1.5270 -0.1406 -0.2995 -0.3293 197 THR L CG2 3326 N N . HIS B 198 ? 1.0085 1.1444 1.3960 -0.0515 -0.2774 -0.3013 198 HIS L N 3327 C CA . HIS B 198 ? 1.0462 1.1424 1.3769 -0.0292 -0.2962 -0.3010 198 HIS L CA 3328 C C . HIS B 198 ? 1.0855 1.2137 1.4206 0.0023 -0.3260 -0.3103 198 HIS L C 3329 O O . HIS B 198 ? 1.1001 1.2311 1.4273 0.0340 -0.3220 -0.3017 198 HIS L O 3330 C CB . HIS B 198 ? 1.0462 1.0925 1.3213 -0.0145 -0.2726 -0.2810 198 HIS L CB 3331 C CG . HIS B 198 ? 1.0813 1.0984 1.2961 0.0123 -0.2871 -0.2766 198 HIS L CG 3332 N ND1 . HIS B 198 ? 1.1173 1.1273 1.3045 0.0454 -0.2971 -0.2690 198 HIS L ND1 3333 C CD2 . HIS B 198 ? 1.0817 1.0749 1.2527 0.0147 -0.2923 -0.2781 198 HIS L CD2 3334 C CE1 . HIS B 198 ? 1.1398 1.1261 1.2699 0.0625 -0.3065 -0.2643 198 HIS L CE1 3335 N NE2 . HIS B 198 ? 1.1053 1.0851 1.2261 0.0458 -0.3034 -0.2712 198 HIS L NE2 3336 N N . GLY B 199 ? 1.1152 1.2618 1.4570 -0.0058 -0.3581 -0.3287 199 GLY L N 3337 C CA . GLY B 199 ? 1.1546 1.3511 1.5119 0.0191 -0.3920 -0.3422 199 GLY L CA 3338 C C . GLY B 199 ? 1.1415 1.4245 1.5797 0.0054 -0.3944 -0.3519 199 GLY L C 3339 O O . GLY B 199 ? 1.1118 1.4158 1.5940 -0.0369 -0.3787 -0.3538 199 GLY L O 3340 N N . GLY B 200 ? 1.1740 1.5118 1.6288 0.0445 -0.4136 -0.3567 200 GLY L N 3341 C CA . GLY B 200 ? 1.1646 1.6065 1.6987 0.0430 -0.4169 -0.3672 200 GLY L CA 3342 C C . GLY B 200 ? 1.1524 1.5894 1.6942 0.0655 -0.3812 -0.3528 200 GLY L C 3343 O O . GLY B 200 ? 1.1569 1.6649 1.7370 0.0988 -0.3836 -0.3579 200 GLY L O 3344 N N . ASN B 201 ? 1.1452 1.4998 1.6476 0.0491 -0.3495 -0.3367 203 ASN L N 3345 C CA . ASN B 201 ? 1.1427 1.4678 1.6334 0.0678 -0.3166 -0.3237 203 ASN L CA 3346 C C . ASN B 201 ? 1.0963 1.4253 1.6167 0.0219 -0.2851 -0.3210 203 ASN L C 3347 O O . ASN B 201 ? 1.0783 1.3808 1.5927 -0.0199 -0.2818 -0.3191 203 ASN L O 3348 C CB . ASN B 201 ? 1.1808 1.4018 1.5870 0.0912 -0.3073 -0.3046 203 ASN L CB 3349 C CG . ASN B 201 ? 1.2399 1.4413 1.6003 0.1246 -0.3384 -0.3031 203 ASN L CG 3350 O OD1 . ASN B 201 ? 1.2655 1.5164 1.6416 0.1623 -0.3639 -0.3120 203 ASN L OD1 3351 N ND2 . ASN B 201 ? 1.2649 1.4018 1.5669 0.1140 -0.3365 -0.2921 203 ASN L ND2 3352 N N . THR B 202 ? 1.0863 1.4442 1.6315 0.0355 -0.2627 -0.3210 204 THR L N 3353 C CA . THR B 202 ? 1.0506 1.4154 1.6185 -0.0021 -0.2310 -0.3175 204 THR L CA 3354 C C . THR B 202 ? 1.0654 1.3782 1.5970 0.0219 -0.2036 -0.3104 204 THR L C 3355 O O . THR B 202 ? 1.0789 1.4345 1.6339 0.0493 -0.1931 -0.3184 204 THR L O 3356 C CB . THR B 202 ? 1.0263 1.5060 1.6750 -0.0233 -0.2291 -0.3294 204 THR L CB 3357 O OG1 . THR B 202 ? 1.0347 1.5633 1.7156 -0.0471 -0.2602 -0.3389 204 THR L OG1 3358 C CG2 . THR B 202 ? 0.9916 1.4722 1.6554 -0.0700 -0.1981 -0.3222 204 THR L CG2 3359 N N . VAL B 203 ? 1.0737 1.2965 1.5457 0.0111 -0.1928 -0.2969 205 VAL L N 3360 C CA . VAL B 203 ? 1.0933 1.2558 1.5240 0.0194 -0.1679 -0.2905 205 VAL L CA 3361 C C . VAL B 203 ? 1.0615 1.2554 1.5223 -0.0132 -0.1414 -0.2932 205 VAL L C 3362 O O . VAL B 203 ? 1.0271 1.2371 1.5058 -0.0533 -0.1373 -0.2889 205 VAL L O 3363 C CB . VAL B 203 ? 1.1104 1.1824 1.4721 0.0094 -0.1648 -0.2743 205 VAL L CB 3364 C CG1 . VAL B 203 ? 1.1340 1.1523 1.4599 -0.0011 -0.1388 -0.2695 205 VAL L CG1 3365 C CG2 . VAL B 203 ? 1.1621 1.1929 1.4801 0.0462 -0.1863 -0.2679 205 VAL L CG2 3366 N N . GLU B 204 ? 1.0872 1.2844 1.5464 0.0084 -0.1243 -0.3006 206 GLU L N 3367 C CA . GLU B 204 ? 1.0709 1.2975 1.5499 -0.0162 -0.0973 -0.3038 206 GLU L CA 3368 C C . GLU B 204 ? 1.1127 1.2653 1.5353 -0.0062 -0.0793 -0.3051 206 GLU L C 3369 O O . GLU B 204 ? 1.1680 1.2687 1.5517 0.0332 -0.0847 -0.3101 206 GLU L O 3370 C CB . GLU B 204 ? 1.0647 1.3956 1.6068 -0.0013 -0.0920 -0.3173 206 GLU L CB 3371 C CG . GLU B 204 ? 1.0639 1.4705 1.6579 0.0044 -0.1176 -0.3217 206 GLU L CG 3372 C CD . GLU B 204 ? 1.0610 1.5942 1.7273 0.0062 -0.1091 -0.3331 206 GLU L CD 3373 O OE1 . GLU B 204 ? 1.0580 1.6187 1.7341 -0.0058 -0.0806 -0.3343 206 GLU L OE1 3374 O OE2 . GLU B 204 ? 1.0615 1.6747 1.7749 0.0185 -0.1307 -0.3408 206 GLU L OE2 3375 N N . LYS B 205 ? 1.0951 1.2384 1.5085 -0.0424 -0.0599 -0.3007 207 LYS L N 3376 C CA . LYS B 205 ? 1.1383 1.2191 1.5002 -0.0424 -0.0437 -0.3050 207 LYS L CA 3377 C C . LYS B 205 ? 1.1282 1.2550 1.5082 -0.0574 -0.0198 -0.3128 207 LYS L C 3378 O O . LYS B 205 ? 1.0789 1.2515 1.4876 -0.0911 -0.0122 -0.3039 207 LYS L O 3379 C CB . LYS B 205 ? 1.1424 1.1540 1.4556 -0.0717 -0.0464 -0.2908 207 LYS L CB 3380 C CG . LYS B 205 ? 1.1739 1.1386 1.4600 -0.0559 -0.0669 -0.2811 207 LYS L CG 3381 C CD . LYS B 205 ? 1.2352 1.1104 1.4523 -0.0681 -0.0644 -0.2729 207 LYS L CD 3382 C CE . LYS B 205 ? 1.3013 1.1200 1.4810 -0.0398 -0.0821 -0.2643 207 LYS L CE 3383 N NZ . LYS B 205 ? 1.3937 1.1185 1.5004 -0.0588 -0.0783 -0.2529 207 LYS L NZ 3384 N N . SER B 206 ? 1.1890 1.2950 1.5432 -0.0285 -0.0088 -0.3295 208 SER L N 3385 C CA . SER B 206 ? 1.1948 1.3513 1.5619 -0.0300 0.0147 -0.3412 208 SER L CA 3386 C C . SER B 206 ? 1.2036 1.3160 1.5267 -0.0635 0.0275 -0.3402 208 SER L C 3387 O O . SER B 206 ? 1.2215 1.2545 1.4952 -0.0785 0.0196 -0.3365 208 SER L O 3388 C CB . SER B 206 ? 1.2601 1.4171 1.6140 0.0264 0.0198 -0.3644 208 SER L CB 3389 O OG . SER B 206 ? 1.2735 1.4603 1.6568 0.0657 0.0024 -0.3661 208 SER L OG 3390 N N . LEU B 207 ? 1.1931 1.3663 1.5351 -0.0771 0.0476 -0.3426 209 LEU L N 3391 C CA . LEU B 207 ? 1.2127 1.3601 1.5134 -0.1026 0.0602 -0.3453 209 LEU L CA 3392 C C . LEU B 207 ? 1.2366 1.4453 1.5444 -0.0933 0.0845 -0.3575 209 LEU L C 3393 O O . LEU B 207 ? 1.2044 1.4988 1.5622 -0.0994 0.0961 -0.3480 209 LEU L O 3394 C CB . LEU B 207 ? 1.1584 1.3116 1.4647 -0.1464 0.0557 -0.3224 209 LEU L CB 3395 C CG . LEU B 207 ? 1.1767 1.2906 1.4324 -0.1716 0.0588 -0.3246 209 LEU L CG 3396 C CD1 . LEU B 207 ? 1.2365 1.2659 1.4450 -0.1712 0.0454 -0.3327 209 LEU L CD1 3397 C CD2 . LEU B 207 ? 1.1296 1.2691 1.3946 -0.2035 0.0560 -0.3023 209 LEU L CD2 3398 N N . SER B 208 ? 1.3079 1.4695 1.5606 -0.0807 0.0918 -0.3789 210 SER L N 3399 C CA . SER B 208 ? 1.3381 1.5505 1.5823 -0.0702 0.1156 -0.3932 210 SER L CA 3400 C C . SER B 208 ? 1.3696 1.5424 1.5588 -0.1002 0.1188 -0.3979 210 SER L C 3401 O O . SER B 208 ? 1.3651 1.4812 1.5297 -0.1302 0.1029 -0.3896 210 SER L O 3402 C CB . SER B 208 ? 1.4080 1.6085 1.6310 -0.0125 0.1214 -0.4235 210 SER L CB 3403 O OG . SER B 208 ? 1.3838 1.6214 1.6547 0.0202 0.1134 -0.4207 210 SER L OG 3404 N N . PRO B 209 ? 1.4054 1.6173 1.5747 -0.0915 0.1393 -0.4118 211 PRO L N 3405 C CA . PRO B 209 ? 1.4337 1.6234 1.5517 -0.1189 0.1415 -0.4174 211 PRO L CA 3406 C C . PRO B 209 ? 1.4847 1.5712 1.5479 -0.1347 0.1198 -0.4310 211 PRO L C 3407 O O . PRO B 209 ? 1.5533 1.5655 1.5797 -0.1085 0.1125 -0.4545 211 PRO L O 3408 C CB . PRO B 209 ? 1.4909 1.7143 1.5805 -0.0870 0.1639 -0.4432 211 PRO L CB 3409 C CG . PRO B 209 ? 1.4587 1.7715 1.6106 -0.0590 0.1810 -0.4350 211 PRO L CG 3410 C CD . PRO B 209 ? 1.4257 1.7110 1.6167 -0.0512 0.1613 -0.4256 211 PRO L CD 3411 N N . SER B 210 ? 1.4594 1.5435 1.5163 -0.1777 0.1094 -0.4144 212 SER L N 3412 C CA . SER B 210 ? 1.4980 1.5042 1.5122 -0.2063 0.0893 -0.4213 212 SER L CA 3413 C C . SER B 210 ? 1.4471 1.4903 1.4720 -0.2487 0.0804 -0.3983 212 SER L C 3414 O O . SER B 210 ? 1.4589 1.4643 1.4652 -0.2783 0.0646 -0.3962 212 SER L O 3415 C CB . SER B 210 ? 1.5127 1.4537 1.5329 -0.1937 0.0760 -0.4181 212 SER L CB 3416 O OG . SER B 210 ? 1.4210 1.4102 1.5025 -0.1930 0.0734 -0.3893 212 SER L OG 3417 N N . GLN C 1 ? 1.4926 0.8543 1.2800 -0.1912 0.3533 0.0076 1 GLN H N 3418 C CA . GLN C 1 ? 1.4376 0.8372 1.2266 -0.1552 0.3369 -0.0118 1 GLN H CA 3419 C C . GLN C 1 ? 1.2838 0.8423 1.1530 -0.1515 0.3001 0.0011 1 GLN H C 3420 O O . GLN C 1 ? 1.2526 0.8781 1.1356 -0.1896 0.2779 -0.0154 1 GLN H O 3421 C CB . GLN C 1 ? 1.5420 0.8710 1.2659 -0.2033 0.3427 -0.0544 1 GLN H CB 3422 C CG . GLN C 1 ? 1.5599 0.8887 1.2621 -0.1579 0.3394 -0.0751 1 GLN H CG 3423 C CD . GLN C 1 ? 1.7137 0.9638 1.3403 -0.2061 0.3491 -0.1208 1 GLN H CD 3424 O OE1 . GLN C 1 ? 1.8250 1.0067 1.4084 -0.2768 0.3595 -0.1392 1 GLN H OE1 3425 N NE2 . GLN C 1 ? 1.7245 0.9854 1.3313 -0.1717 0.3465 -0.1402 1 GLN H NE2 3426 N N . VAL C 2 ? 1.1909 0.8036 1.1070 -0.1045 0.2957 0.0316 2 VAL H N 3427 C CA . VAL C 2 ? 1.0626 0.8047 1.0473 -0.0900 0.2671 0.0465 2 VAL H CA 3428 C C . VAL C 2 ? 1.0149 0.7837 1.0007 -0.0497 0.2534 0.0362 2 VAL H C 3429 O O . VAL C 2 ? 1.0095 0.7431 0.9783 0.0026 0.2630 0.0404 2 VAL H O 3430 C CB . VAL C 2 ? 1.0001 0.7792 1.0233 -0.0553 0.2702 0.0782 2 VAL H CB 3431 C CG1 . VAL C 2 ? 0.8766 0.7575 0.9529 -0.0269 0.2465 0.0890 2 VAL H CG1 3432 C CG2 . VAL C 2 ? 1.0200 0.8111 1.0583 -0.0999 0.2792 0.0928 2 VAL H CG2 3433 N N . GLN C 3 ? 0.9760 0.8175 0.9833 -0.0761 0.2305 0.0262 3 GLN H N 3434 C CA . GLN C 3 ? 0.9411 0.8093 0.9450 -0.0496 0.2182 0.0154 3 GLN H CA 3435 C C . GLN C 3 ? 0.8488 0.8286 0.9063 -0.0530 0.1903 0.0285 3 GLN H C 3436 O O . GLN C 3 ? 0.8294 0.8726 0.9175 -0.0899 0.1775 0.0367 3 GLN H O 3437 C CB . GLN C 3 ? 1.0277 0.8390 0.9736 -0.0772 0.2256 -0.0180 3 GLN H CB 3438 C CG . GLN C 3 ? 1.1519 0.8350 1.0331 -0.0565 0.2585 -0.0316 3 GLN H CG 3439 C CD . GLN C 3 ? 1.2589 0.8821 1.0770 -0.0638 0.2695 -0.0662 3 GLN H CD 3440 O OE1 . GLN C 3 ? 1.3628 0.8711 1.1152 -0.0811 0.2961 -0.0874 3 GLN H OE1 3441 N NE2 . GLN C 3 ? 1.1825 0.8769 1.0148 -0.0506 0.2519 -0.0722 3 GLN H NE2 3442 N N . LEU C 4 ? 0.7955 0.8000 0.8631 -0.0128 0.1826 0.0333 4 LEU H N 3443 C CA . LEU C 4 ? 0.7373 0.8272 0.8405 -0.0136 0.1594 0.0432 4 LEU H CA 3444 C C . LEU C 4 ? 0.7590 0.8473 0.8328 -0.0091 0.1557 0.0253 4 LEU H C 3445 O O . LEU C 4 ? 0.7801 0.8260 0.8275 0.0233 0.1681 0.0177 4 LEU H O 3446 C CB . LEU C 4 ? 0.6723 0.7936 0.8118 0.0237 0.1541 0.0666 4 LEU H CB 3447 C CG . LEU C 4 ? 0.6496 0.7744 0.8154 0.0292 0.1611 0.0851 4 LEU H CG 3448 C CD1 . LEU C 4 ? 0.5770 0.7345 0.7710 0.0598 0.1541 0.1031 4 LEU H CD1 3449 C CD2 . LEU C 4 ? 0.6562 0.8236 0.8443 -0.0099 0.1572 0.0918 4 LEU H CD2 3450 N N . LYS C 5 ? 0.7622 0.9053 0.8401 -0.0405 0.1393 0.0208 5 LYS H N 3451 C CA . LYS C 5 ? 0.7841 0.9385 0.8343 -0.0384 0.1351 0.0054 5 LYS H CA 3452 C C . LYS C 5 ? 0.7402 0.9872 0.8248 -0.0458 0.1113 0.0247 5 LYS H C 3453 O O . LYS C 5 ? 0.7360 1.0392 0.8411 -0.0774 0.0970 0.0341 5 LYS H O 3454 C CB . LYS C 5 ? 0.8706 0.9767 0.8636 -0.0748 0.1449 -0.0285 5 LYS H CB 3455 C CG . LYS C 5 ? 0.9183 1.0208 0.8704 -0.0647 0.1486 -0.0488 5 LYS H CG 3456 C CD . LYS C 5 ? 1.0486 1.0836 0.9302 -0.1003 0.1632 -0.0883 5 LYS H CD 3457 C CE . LYS C 5 ? 1.0844 1.1244 0.9223 -0.0891 0.1683 -0.1092 5 LYS H CE 3458 N NZ . LYS C 5 ? 1.1897 1.1752 0.9534 -0.1348 0.1783 -0.1513 5 LYS H NZ 3459 N N . GLU C 6 ? 0.7180 0.9844 0.8086 -0.0165 0.1080 0.0337 6 GLU H N 3460 C CA . GLU C 6 ? 0.6892 1.0316 0.8064 -0.0196 0.0886 0.0558 6 GLU H CA 3461 C C . GLU C 6 ? 0.7205 1.0934 0.8049 -0.0391 0.0828 0.0408 6 GLU H C 3462 O O . GLU C 6 ? 0.7628 1.0922 0.8003 -0.0416 0.0965 0.0110 6 GLU H O 3463 C CB . GLU C 6 ? 0.6494 0.9995 0.7913 0.0132 0.0869 0.0778 6 GLU H CB 3464 C CG . GLU C 6 ? 0.6805 0.9887 0.8035 0.0407 0.1010 0.0667 6 GLU H CG 3465 C CD . GLU C 6 ? 0.6978 0.9636 0.8328 0.0600 0.1102 0.0713 6 GLU H CD 3466 O OE1 . GLU C 6 ? 0.6949 0.9720 0.8591 0.0640 0.1039 0.0907 6 GLU H OE1 3467 O OE2 . GLU C 6 ? 0.7308 0.9493 0.8421 0.0740 0.1259 0.0567 6 GLU H OE2 3468 N N . SER C 7 ? 0.7039 1.1507 0.8106 -0.0495 0.0642 0.0640 7 SER H N 3469 C CA . SER C 7 ? 0.7444 1.2399 0.8225 -0.0744 0.0544 0.0552 7 SER H CA 3470 C C . SER C 7 ? 0.7113 1.2848 0.8186 -0.0697 0.0367 0.0927 7 SER H C 3471 O O . SER C 7 ? 0.6793 1.2775 0.8300 -0.0579 0.0292 0.1257 7 SER H O 3472 C CB . SER C 7 ? 0.7978 1.3066 0.8562 -0.1196 0.0483 0.0360 7 SER H CB 3473 O OG . SER C 7 ? 0.8389 1.4288 0.8864 -0.1478 0.0298 0.0420 7 SER H OG 3474 N N . GLY C 8 ? 0.7309 1.3386 0.8097 -0.0765 0.0331 0.0885 8 GLY H N 3475 C CA . GLY C 8 ? 0.7146 1.3948 0.8127 -0.0740 0.0178 0.1265 8 GLY H CA 3476 C C . GLY C 8 ? 0.7332 1.4327 0.8007 -0.0704 0.0216 0.1232 8 GLY H C 3477 O O . GLY C 8 ? 0.7699 1.4372 0.7964 -0.0711 0.0358 0.0877 8 GLY H O 3478 N N . PRO C 9 ? 0.7187 1.4695 0.8040 -0.0642 0.0117 0.1628 9 PRO H N 3479 C CA . PRO C 9 ? 0.7333 1.5128 0.7924 -0.0633 0.0158 0.1654 9 PRO H CA 3480 C C . PRO C 9 ? 0.7173 1.4518 0.7807 -0.0412 0.0323 0.1601 9 PRO H C 3481 O O . PRO C 9 ? 0.6879 1.3824 0.7830 -0.0265 0.0346 0.1740 9 PRO H O 3482 C CB . PRO C 9 ? 0.7255 1.5653 0.8062 -0.0636 0.0011 0.2169 9 PRO H CB 3483 C CG . PRO C 9 ? 0.7019 1.5138 0.8274 -0.0478 -0.0024 0.2433 9 PRO H CG 3484 C CD . PRO C 9 ? 0.6940 1.4727 0.8225 -0.0540 0.0001 0.2097 9 PRO H CD 3485 N N . GLY C 10 ? 0.7406 1.4887 0.7695 -0.0395 0.0442 0.1400 10 GLY H N 3486 C CA . GLY C 10 ? 0.7286 1.4565 0.7608 -0.0187 0.0603 0.1350 10 GLY H CA 3487 C C . GLY C 10 ? 0.7149 1.4903 0.7613 -0.0219 0.0573 0.1717 10 GLY H C 3488 O O . GLY C 10 ? 0.6995 1.4675 0.7635 -0.0131 0.0642 0.1809 10 GLY H O 3489 N N . LEU C 11 ? 0.7288 1.5567 0.7655 -0.0382 0.0464 0.1944 11 LEU H N 3490 C CA . LEU C 11 ? 0.7293 1.6014 0.7733 -0.0458 0.0448 0.2337 11 LEU H CA 3491 C C . LEU C 11 ? 0.7286 1.6147 0.7888 -0.0550 0.0287 0.2776 11 LEU H C 3492 O O . LEU C 11 ? 0.7479 1.6602 0.8006 -0.0605 0.0168 0.2791 11 LEU H O 3493 C CB . LEU C 11 ? 0.7585 1.6946 0.7648 -0.0503 0.0541 0.2247 11 LEU H CB 3494 C CG . LEU C 11 ? 0.7677 1.7532 0.7810 -0.0605 0.0564 0.2653 11 LEU H CG 3495 C CD1 . LEU C 11 ? 0.7362 1.6974 0.7779 -0.0566 0.0652 0.2710 11 LEU H CD1 3496 C CD2 . LEU C 11 ? 0.8199 1.8776 0.7935 -0.0633 0.0671 0.2573 11 LEU H CD2 3497 N N . LEU C 12 ? 0.7188 1.5877 0.7990 -0.0572 0.0297 0.3146 12 LEU H N 3498 C CA . LEU C 12 ? 0.7298 1.5979 0.8219 -0.0583 0.0205 0.3637 12 LEU H CA 3499 C C . LEU C 12 ? 0.7515 1.6197 0.8414 -0.0714 0.0268 0.4031 12 LEU H C 3500 O O . LEU C 12 ? 0.7432 1.5932 0.8357 -0.0814 0.0365 0.3938 12 LEU H O 3501 C CB . LEU C 12 ? 0.7140 1.5138 0.8343 -0.0425 0.0183 0.3688 12 LEU H CB 3502 C CG . LEU C 12 ? 0.6849 1.4894 0.8123 -0.0340 0.0110 0.3409 12 LEU H CG 3503 C CD1 . LEU C 12 ? 0.6841 1.4256 0.8406 -0.0158 0.0127 0.3497 12 LEU H CD1 3504 C CD2 . LEU C 12 ? 0.6807 1.5634 0.7969 -0.0410 -0.0032 0.3561 12 LEU H CD2 3505 N N . GLN C 13 ? 0.7779 1.6720 0.8618 -0.0730 0.0212 0.4499 13 GLN H N 3506 C CA . GLN C 13 ? 0.8114 1.6874 0.8902 -0.0871 0.0286 0.4965 13 GLN H CA 3507 C C . GLN C 13 ? 0.8221 1.5972 0.9165 -0.0773 0.0335 0.5185 13 GLN H C 3508 O O . GLN C 13 ? 0.8006 1.5436 0.9111 -0.0535 0.0293 0.5109 13 GLN H O 3509 C CB . GLN C 13 ? 0.8559 1.7984 0.9156 -0.0900 0.0234 0.5430 13 GLN H CB 3510 C CG . GLN C 13 ? 0.8813 1.9112 0.9149 -0.1089 0.0267 0.5334 13 GLN H CG 3511 C CD . GLN C 13 ? 0.8608 1.9359 0.8826 -0.1039 0.0239 0.4747 13 GLN H CD 3512 O OE1 . GLN C 13 ? 0.8393 1.9184 0.8622 -0.0926 0.0126 0.4553 13 GLN H OE1 3513 N NE2 . GLN C 13 ? 0.8653 1.9738 0.8733 -0.1126 0.0364 0.4474 13 GLN H NE2 3514 N N . PRO C 14 ? 0.8544 1.5767 0.9403 -0.0980 0.0444 0.5444 14 PRO H N 3515 C CA . PRO C 14 ? 0.8967 1.5072 0.9839 -0.0902 0.0532 0.5646 14 PRO H CA 3516 C C . PRO C 14 ? 0.9340 1.5257 1.0224 -0.0557 0.0528 0.6101 14 PRO H C 3517 O O . PRO C 14 ? 0.9337 1.6062 1.0198 -0.0456 0.0439 0.6367 14 PRO H O 3518 C CB . PRO C 14 ? 0.9504 1.5210 1.0170 -0.1296 0.0649 0.5886 14 PRO H CB 3519 C CG . PRO C 14 ? 0.9040 1.5652 0.9729 -0.1563 0.0618 0.5610 14 PRO H CG 3520 C CD . PRO C 14 ? 0.8635 1.6224 0.9364 -0.1333 0.0513 0.5482 14 PRO H CD 3521 N N . SER C 15 ? 0.9704 1.4587 1.0604 -0.0360 0.0636 0.6184 15 SER H N 3522 C CA . SER C 15 ? 1.0212 1.4766 1.1137 0.0065 0.0693 0.6657 15 SER H CA 3523 C C . SER C 15 ? 0.9655 1.5177 1.0865 0.0378 0.0530 0.6616 15 SER H C 3524 O O . SER C 15 ? 0.9972 1.5539 1.1287 0.0774 0.0551 0.7025 15 SER H O 3525 C CB . SER C 15 ? 1.1047 1.5487 1.1719 0.0044 0.0780 0.7304 15 SER H CB 3526 O OG . SER C 15 ? 1.0864 1.6487 1.1505 -0.0151 0.0642 0.7394 15 SER H OG 3527 N N . GLN C 16 ? 0.8909 1.5204 1.0222 0.0191 0.0383 0.6131 16 GLN H N 3528 C CA . GLN C 16 ? 0.8422 1.5514 0.9961 0.0361 0.0230 0.5963 16 GLN H CA 3529 C C . GLN C 16 ? 0.8259 1.4728 1.0020 0.0579 0.0294 0.5715 16 GLN H C 3530 O O . GLN C 16 ? 0.8537 1.3967 1.0237 0.0631 0.0455 0.5688 16 GLN H O 3531 C CB . GLN C 16 ? 0.7873 1.5778 0.9336 0.0076 0.0100 0.5489 16 GLN H CB 3532 C CG . GLN C 16 ? 0.8143 1.6887 0.9364 -0.0105 0.0027 0.5706 16 GLN H CG 3533 C CD . GLN C 16 ? 0.7867 1.7419 0.8946 -0.0305 -0.0085 0.5233 16 GLN H CD 3534 O OE1 . GLN C 16 ? 0.7824 1.7556 0.8684 -0.0512 -0.0033 0.5000 16 GLN H OE1 3535 N NE2 . GLN C 16 ? 0.7874 1.7901 0.9049 -0.0252 -0.0219 0.5088 16 GLN H NE2 3536 N N . THR C 17 ? 0.7849 1.4975 0.9826 0.0660 0.0170 0.5518 17 THR H N 3537 C CA . THR C 17 ? 0.7644 1.4366 0.9856 0.0856 0.0226 0.5296 17 THR H CA 3538 C C . THR C 17 ? 0.7039 1.4107 0.9301 0.0634 0.0130 0.4724 17 THR H C 3539 O O . THR C 17 ? 0.6858 1.4798 0.9131 0.0491 -0.0022 0.4629 17 THR H O 3540 C CB . THR C 17 ? 0.7851 1.5003 1.0335 0.1244 0.0214 0.5735 17 THR H CB 3541 O OG1 . THR C 17 ? 0.8646 1.5092 1.1050 0.1573 0.0393 0.6245 17 THR H OG1 3542 C CG2 . THR C 17 ? 0.7558 1.4613 1.0314 0.1385 0.0247 0.5465 17 THR H CG2 3543 N N . LEU C 18 ? 0.6864 1.3193 0.9107 0.0593 0.0232 0.4350 18 LEU H N 3544 C CA . LEU C 18 ? 0.6464 1.2910 0.8719 0.0440 0.0193 0.3835 18 LEU H CA 3545 C C . LEU C 18 ? 0.6328 1.2989 0.8850 0.0587 0.0168 0.3822 18 LEU H C 3546 O O . LEU C 18 ? 0.6606 1.2992 0.9320 0.0876 0.0253 0.4096 18 LEU H O 3547 C CB . LEU C 18 ? 0.6395 1.2065 0.8551 0.0388 0.0309 0.3508 18 LEU H CB 3548 C CG . LEU C 18 ? 0.5958 1.1588 0.8095 0.0307 0.0316 0.3024 18 LEU H CG 3549 C CD1 . LEU C 18 ? 0.5734 1.1930 0.7664 0.0103 0.0249 0.2794 18 LEU H CD1 3550 C CD2 . LEU C 18 ? 0.5519 1.0468 0.7588 0.0318 0.0424 0.2823 18 LEU H CD2 3551 N N . SER C 19 ? 0.6097 1.3232 0.8597 0.0376 0.0075 0.3502 19 SER H N 3552 C CA . SER C 19 ? 0.5998 1.3351 0.8740 0.0407 0.0058 0.3425 19 SER H CA 3553 C C . SER C 19 ? 0.5782 1.3019 0.8358 0.0137 0.0056 0.2908 19 SER H C 3554 O O . SER C 19 ? 0.5807 1.3530 0.8174 -0.0152 -0.0047 0.2716 19 SER H O 3555 C CB . SER C 19 ? 0.6155 1.4533 0.9104 0.0417 -0.0089 0.3796 19 SER H CB 3556 O OG . SER C 19 ? 0.6502 1.5566 0.9202 0.0126 -0.0245 0.3752 19 SER H OG 3557 N N . LEU C 20 ? 0.5654 1.2177 0.8267 0.0243 0.0190 0.2691 20 LEU H N 3558 C CA . LEU C 20 ? 0.5608 1.1827 0.8046 0.0065 0.0241 0.2248 20 LEU H CA 3559 C C . LEU C 20 ? 0.5631 1.2051 0.8282 -0.0012 0.0237 0.2224 20 LEU H C 3560 O O . LEU C 20 ? 0.5596 1.2294 0.8588 0.0168 0.0237 0.2537 20 LEU H O 3561 C CB . LEU C 20 ? 0.5512 1.0927 0.7849 0.0220 0.0388 0.2055 20 LEU H CB 3562 C CG . LEU C 20 ? 0.5490 1.0777 0.7630 0.0237 0.0402 0.2051 20 LEU H CG 3563 C CD1 . LEU C 20 ? 0.4991 0.9649 0.7103 0.0379 0.0518 0.1936 20 LEU H CD1 3564 C CD2 . LEU C 20 ? 0.5803 1.1363 0.7633 0.0050 0.0382 0.1796 20 LEU H CD2 3565 N N . THR C 21 ? 0.5793 1.2044 0.8212 -0.0276 0.0261 0.1856 21 THR H N 3566 C CA . THR C 21 ? 0.5864 1.2237 0.8422 -0.0457 0.0274 0.1784 21 THR H CA 3567 C C . THR C 21 ? 0.6045 1.1569 0.8348 -0.0497 0.0440 0.1419 21 THR H C 3568 O O . THR C 21 ? 0.6309 1.1400 0.8206 -0.0573 0.0498 0.1121 21 THR H O 3569 C CB . THR C 21 ? 0.6104 1.3299 0.8588 -0.0894 0.0105 0.1750 21 THR H CB 3570 O OG1 . THR C 21 ? 0.6082 1.3159 0.8529 -0.1210 0.0152 0.1535 21 THR H OG1 3571 C CG2 . THR C 21 ? 0.6445 1.3624 0.8436 -0.1114 0.0051 0.1488 21 THR H CG2 3572 N N . CYS C 22 ? 0.5988 1.1296 0.8525 -0.0394 0.0538 0.1484 22 CYS H N 3573 C CA . CYS C 22 ? 0.6162 1.0685 0.8492 -0.0388 0.0709 0.1227 22 CYS H CA 3574 C C . CYS C 22 ? 0.6366 1.1054 0.8752 -0.0736 0.0729 0.1171 22 CYS H C 3575 O O . CYS C 22 ? 0.6310 1.1561 0.9104 -0.0727 0.0699 0.1432 22 CYS H O 3576 C CB . CYS C 22 ? 0.5873 0.9974 0.8375 0.0015 0.0826 0.1359 22 CYS H CB 3577 S SG . CYS C 22 ? 0.6584 0.9874 0.8900 0.0086 0.1036 0.1162 22 CYS H SG 3578 N N . THR C 23 ? 0.6764 1.0957 0.8714 -0.1048 0.0798 0.0838 23 THR H N 3579 C CA . THR C 23 ? 0.7115 1.1335 0.9000 -0.1511 0.0828 0.0733 23 THR H CA 3580 C C . THR C 23 ? 0.7248 1.0591 0.9002 -0.1416 0.1059 0.0642 23 THR H C 3581 O O . THR C 23 ? 0.7624 1.0050 0.8905 -0.1352 0.1217 0.0386 23 THR H O 3582 C CB . THR C 23 ? 0.7803 1.1918 0.9161 -0.2019 0.0778 0.0394 23 THR H CB 3583 O OG1 . THR C 23 ? 0.7502 1.2549 0.8967 -0.2126 0.0549 0.0508 23 THR H OG1 3584 C CG2 . THR C 23 ? 0.8374 1.2473 0.9614 -0.2612 0.0806 0.0270 23 THR H CG2 3585 N N . VAL C 24 ? 0.6952 1.0636 0.9122 -0.1378 0.1093 0.0886 24 VAL H N 3586 C CA . VAL C 24 ? 0.7085 1.0083 0.9191 -0.1262 0.1311 0.0883 24 VAL H CA 3587 C C . VAL C 24 ? 0.7666 1.0442 0.9553 -0.1834 0.1392 0.0745 24 VAL H C 3588 O O . VAL C 24 ? 0.7644 1.1204 0.9876 -0.2169 0.1323 0.0913 24 VAL H O 3589 C CB . VAL C 24 ? 0.6553 1.0018 0.9174 -0.0925 0.1347 0.1216 24 VAL H CB 3590 C CG1 . VAL C 24 ? 0.6814 0.9566 0.9303 -0.0767 0.1573 0.1211 24 VAL H CG1 3591 C CG2 . VAL C 24 ? 0.6188 0.9851 0.8991 -0.0450 0.1267 0.1357 24 VAL H CG2 3592 N N . SER C 25 ? 0.8324 1.0019 0.9622 -0.1935 0.1559 0.0458 25 SER H N 3593 C CA . SER C 25 ? 0.9258 1.0445 1.0177 -0.2539 0.1675 0.0271 25 SER H CA 3594 C C . SER C 25 ? 0.9519 1.0065 1.0408 -0.2458 0.1917 0.0391 25 SER H C 3595 O O . SER C 25 ? 0.9141 0.9312 1.0083 -0.1890 0.2034 0.0516 25 SER H O 3596 C CB . SER C 25 ? 1.0156 1.0349 1.0314 -0.2705 0.1774 -0.0130 25 SER H CB 3597 O OG . SER C 25 ? 1.0321 1.1036 1.0460 -0.2635 0.1582 -0.0229 25 SER H OG 3598 N N . GLY C 26 ? 1.0208 1.0688 1.0989 -0.3087 0.1984 0.0359 26 GLY H N 3599 C CA . GLY C 26 ? 1.0711 1.0445 1.1334 -0.3153 0.2247 0.0454 26 GLY H CA 3600 C C . GLY C 26 ? 0.9977 1.0582 1.1257 -0.2945 0.2247 0.0841 26 GLY H C 3601 O O . GLY C 26 ? 1.0407 1.0634 1.1642 -0.3037 0.2454 0.0981 26 GLY H O 3602 N N . ILE C 27 ? 0.9023 1.0747 1.0871 -0.2638 0.2044 0.1024 27 ILE H N 3603 C CA . ILE C 27 ? 0.8419 1.1010 1.0872 -0.2376 0.2067 0.1383 27 ILE H CA 3604 C C . ILE C 27 ? 0.7889 1.1913 1.0940 -0.2403 0.1838 0.1585 27 ILE H C 3605 O O . ILE C 27 ? 0.7873 1.2312 1.0891 -0.2664 0.1631 0.1465 27 ILE H O 3606 C CB . ILE C 27 ? 0.7926 1.0084 1.0388 -0.1621 0.2175 0.1478 27 ILE H CB 3607 C CG1 . ILE C 27 ? 0.7292 0.9577 0.9785 -0.1214 0.1997 0.1395 27 ILE H CG1 3608 C CG2 . ILE C 27 ? 0.8475 0.9365 1.0382 -0.1522 0.2404 0.1360 27 ILE H CG2 3609 C CD1 . ILE C 27 ? 0.6674 0.8916 0.9307 -0.0575 0.2045 0.1531 27 ILE H CD1 3610 N N . SER C 28 ? 0.7497 1.2264 1.1063 -0.2080 0.1903 0.1914 28 SER H N 3611 C CA . SER C 28 ? 0.7032 1.3195 1.1211 -0.1979 0.1756 0.2205 28 SER H CA 3612 C C . SER C 28 ? 0.6451 1.2617 1.0821 -0.1193 0.1788 0.2357 28 SER H C 3613 O O . SER C 28 ? 0.6469 1.1927 1.0676 -0.0789 0.1969 0.2342 28 SER H O 3614 C CB . SER C 28 ? 0.7109 1.4241 1.1734 -0.2282 0.1854 0.2498 28 SER H CB 3615 O OG . SER C 28 ? 0.6912 1.5544 1.2149 -0.2190 0.1716 0.2821 28 SER H OG 3616 N N . LEU C 29 ? 0.6060 1.3013 1.0733 -0.1006 0.1614 0.2508 29 LEU H N 3617 C CA . LEU C 29 ? 0.5681 1.2528 1.0462 -0.0310 0.1647 0.2644 29 LEU H CA 3618 C C . LEU C 29 ? 0.5573 1.3020 1.0777 0.0104 0.1842 0.2983 29 LEU H C 3619 O O . LEU C 29 ? 0.5424 1.2577 1.0623 0.0689 0.1951 0.3072 29 LEU H O 3620 C CB . LEU C 29 ? 0.5482 1.2869 1.0383 -0.0242 0.1420 0.2725 29 LEU H CB 3621 C CG . LEU C 29 ? 0.5477 1.2323 0.9936 -0.0562 0.1244 0.2396 29 LEU H CG 3622 C CD1 . LEU C 29 ? 0.5183 1.2793 0.9801 -0.0549 0.1021 0.2545 29 LEU H CD1 3623 C CD2 . LEU C 29 ? 0.5723 1.1354 0.9749 -0.0250 0.1337 0.2151 29 LEU H CD2 3624 N N . SER C 30 ? 0.5748 1.4010 1.1272 -0.0229 0.1905 0.3161 30 SER H N 3625 C CA . SER C 30 ? 0.5698 1.4825 1.1702 0.0148 0.2103 0.3537 30 SER H CA 3626 C C . SER C 30 ? 0.5800 1.4090 1.1567 0.0560 0.2389 0.3482 30 SER H C 3627 O O . SER C 30 ? 0.5901 1.4664 1.1941 0.1015 0.2604 0.3745 30 SER H O 3628 C CB . SER C 30 ? 0.5815 1.6191 1.2250 -0.0403 0.2090 0.3759 30 SER H CB 3629 O OG . SER C 30 ? 0.5857 1.7215 1.2523 -0.0799 0.1809 0.3838 30 SER H OG 3630 N N . ASP C 31 ? 0.5933 1.3021 1.1165 0.0423 0.2403 0.3153 31 ASP H N 3631 C CA . ASP C 31 ? 0.6117 1.2462 1.1065 0.0747 0.2651 0.3098 31 ASP H CA 3632 C C . ASP C 31 ? 0.6045 1.1154 1.0430 0.0940 0.2612 0.2786 31 ASP H C 3633 O O . ASP C 31 ? 0.6080 1.0543 1.0142 0.1108 0.2773 0.2706 31 ASP H O 3634 C CB . ASP C 31 ? 0.6499 1.2950 1.1455 0.0334 0.2808 0.3162 31 ASP H CB 3635 C CG . ASP C 31 ? 0.6811 1.3311 1.1711 -0.0412 0.2647 0.3044 31 ASP H CG 3636 O OD1 . ASP C 31 ? 0.7089 1.3086 1.1719 -0.0561 0.2447 0.2797 31 ASP H OD1 3637 O OD2 . ASP C 31 ? 0.6883 1.3910 1.1972 -0.0871 0.2735 0.3191 31 ASP H OD2 3638 N N . TYR C 32 ? 0.5955 1.0864 1.0240 0.0914 0.2395 0.2643 32 TYR H N 3639 C CA . TYR C 32 ? 0.6023 0.9999 0.9861 0.1136 0.2339 0.2398 32 TYR H CA 3640 C C . TYR C 32 ? 0.5701 0.9798 0.9612 0.1336 0.2181 0.2411 32 TYR H C 3641 O O . TYR C 32 ? 0.5605 1.0283 0.9754 0.1124 0.2017 0.2488 32 TYR H O 3642 C CB . TYR C 32 ? 0.6267 0.9592 0.9731 0.0792 0.2262 0.2150 32 TYR H CB 3643 C CG . TYR C 32 ? 0.7191 1.0163 1.0473 0.0630 0.2446 0.2154 32 TYR H CG 3644 C CD1 . TYR C 32 ? 0.7909 1.0600 1.1043 0.0958 0.2636 0.2217 32 TYR H CD1 3645 C CD2 . TYR C 32 ? 0.7999 1.0864 1.1195 0.0126 0.2444 0.2096 32 TYR H CD2 3646 C CE1 . TYR C 32 ? 0.8727 1.1115 1.1679 0.0826 0.2816 0.2271 32 TYR H CE1 3647 C CE2 . TYR C 32 ? 0.8976 1.1412 1.1962 -0.0032 0.2641 0.2137 32 TYR H CE2 3648 C CZ . TYR C 32 ? 0.9376 1.1611 1.2265 0.0338 0.2825 0.2250 32 TYR H CZ 3649 O OH . TYR C 32 ? 1.0225 1.2053 1.2890 0.0199 0.3033 0.2339 32 TYR H OH 3650 N N . GLY C 33 ? 0.5659 0.9198 0.9321 0.1711 0.2236 0.2340 33 GLY H N 3651 C CA . GLY C 33 ? 0.5491 0.8914 0.9110 0.1875 0.2111 0.2337 33 GLY H CA 3652 C C . GLY C 33 ? 0.5241 0.8178 0.8544 0.1666 0.1937 0.2089 33 GLY H C 3653 O O . GLY C 33 ? 0.5217 0.7666 0.8224 0.1598 0.1967 0.1906 33 GLY H O 3654 N N . VAL C 34 ? 0.5069 0.8211 0.8444 0.1599 0.1769 0.2120 34 VAL H N 3655 C CA . VAL C 34 ? 0.4925 0.7763 0.8040 0.1412 0.1612 0.1915 34 VAL H CA 3656 C C . VAL C 34 ? 0.4995 0.7507 0.7943 0.1590 0.1564 0.1911 34 VAL H C 3657 O O . VAL C 34 ? 0.5146 0.7808 0.8234 0.1766 0.1576 0.2109 34 VAL H O 3658 C CB . VAL C 34 ? 0.4750 0.8116 0.8007 0.1086 0.1447 0.1922 34 VAL H CB 3659 C CG1 . VAL C 34 ? 0.4818 0.7891 0.7784 0.0961 0.1327 0.1720 34 VAL H CG1 3660 C CG2 . VAL C 34 ? 0.4796 0.8384 0.8129 0.0782 0.1489 0.1881 34 VAL H CG2 3661 N N . HIS C 35 ? 0.5071 0.7147 0.7706 0.1539 0.1521 0.1709 35 HIS H N 3662 C CA . HIS C 35 ? 0.5239 0.7029 0.7678 0.1588 0.1460 0.1682 35 HIS H CA 3663 C C . HIS C 35 ? 0.5106 0.7153 0.7551 0.1400 0.1294 0.1669 35 HIS H C 3664 O O . HIS C 35 ? 0.5057 0.7361 0.7533 0.1233 0.1231 0.1587 35 HIS H O 3665 C CB . HIS C 35 ? 0.5337 0.6686 0.7441 0.1614 0.1493 0.1498 35 HIS H CB 3666 C CG . HIS C 35 ? 0.5720 0.6730 0.7688 0.1803 0.1656 0.1491 35 HIS H CG 3667 N ND1 . HIS C 35 ? 0.6259 0.6965 0.8142 0.1962 0.1754 0.1565 35 HIS H ND1 3668 C CD2 . HIS C 35 ? 0.6021 0.6905 0.7863 0.1877 0.1764 0.1419 35 HIS H CD2 3669 C CE1 . HIS C 35 ? 0.6664 0.7084 0.8361 0.2121 0.1917 0.1506 35 HIS H CE1 3670 N NE2 . HIS C 35 ? 0.6359 0.6932 0.8043 0.2062 0.1914 0.1429 35 HIS H NE2 3671 N N . TRP C 36 ? 0.5230 0.7137 0.7587 0.1418 0.1249 0.1744 36 TRP H N 3672 C CA . TRP C 36 ? 0.5093 0.7196 0.7383 0.1243 0.1112 0.1730 36 TRP H CA 3673 C C . TRP C 36 ? 0.5235 0.6986 0.7252 0.1185 0.1103 0.1627 36 TRP H C 3674 O O . TRP C 36 ? 0.5597 0.6910 0.7467 0.1236 0.1170 0.1670 36 TRP H O 3675 C CB . TRP C 36 ? 0.5225 0.7604 0.7672 0.1251 0.1055 0.1985 36 TRP H CB 3676 C CG . TRP C 36 ? 0.4933 0.7935 0.7621 0.1175 0.0981 0.2067 36 TRP H CG 3677 C CD1 . TRP C 36 ? 0.5201 0.8568 0.8166 0.1288 0.1013 0.2274 36 TRP H CD1 3678 C CD2 . TRP C 36 ? 0.4567 0.7951 0.7203 0.0941 0.0869 0.1935 36 TRP H CD2 3679 N NE1 . TRP C 36 ? 0.5011 0.9020 0.8106 0.1068 0.0894 0.2274 36 TRP H NE1 3680 C CE2 . TRP C 36 ? 0.4809 0.8751 0.7660 0.0850 0.0814 0.2041 36 TRP H CE2 3681 C CE3 . TRP C 36 ? 0.4805 0.8144 0.7211 0.0810 0.0825 0.1737 36 TRP H CE3 3682 C CZ2 . TRP C 36 ? 0.4836 0.9177 0.7601 0.0574 0.0711 0.1907 36 TRP H CZ2 3683 C CZ3 . TRP C 36 ? 0.4895 0.8584 0.7222 0.0622 0.0760 0.1617 36 TRP H CZ3 3684 C CH2 . TRP C 36 ? 0.4924 0.9051 0.7392 0.0478 0.0700 0.1678 36 TRP H CH2 3685 N N . VAL C 37 ? 0.4997 0.6952 0.6918 0.1073 0.1036 0.1488 37 VAL H N 3686 C CA . VAL C 37 ? 0.5070 0.6946 0.6778 0.0972 0.1001 0.1407 37 VAL H CA 3687 C C . VAL C 37 ? 0.4941 0.7275 0.6656 0.0831 0.0906 0.1414 37 VAL H C 3688 O O . VAL C 37 ? 0.4684 0.7312 0.6456 0.0875 0.0903 0.1357 37 VAL H O 3689 C CB . VAL C 37 ? 0.5059 0.6867 0.6641 0.1070 0.1051 0.1258 37 VAL H CB 3690 C CG1 . VAL C 37 ? 0.5264 0.7232 0.6657 0.0933 0.0981 0.1201 37 VAL H CG1 3691 C CG2 . VAL C 37 ? 0.5161 0.6553 0.6698 0.1210 0.1165 0.1247 37 VAL H CG2 3692 N N . ARG C 38 ? 0.5176 0.7535 0.6786 0.0641 0.0850 0.1476 38 ARG H N 3693 C CA . ARG C 38 ? 0.5138 0.8027 0.6762 0.0493 0.0776 0.1516 38 ARG H CA 3694 C C . ARG C 38 ? 0.5232 0.8392 0.6737 0.0340 0.0734 0.1465 38 ARG H C 3695 O O . ARG C 38 ? 0.5478 0.8350 0.6833 0.0251 0.0733 0.1407 38 ARG H O 3696 C CB . ARG C 38 ? 0.5340 0.8229 0.6990 0.0341 0.0736 0.1720 38 ARG H CB 3697 C CG . ARG C 38 ? 0.6027 0.8413 0.7503 0.0148 0.0750 0.1816 38 ARG H CG 3698 C CD . ARG C 38 ? 0.6511 0.8925 0.7968 -0.0020 0.0725 0.2062 38 ARG H CD 3699 N NE . ARG C 38 ? 0.7551 0.9258 0.8750 -0.0219 0.0780 0.2146 38 ARG H NE 3700 C CZ . ARG C 38 ? 0.8407 0.9873 0.9494 -0.0385 0.0801 0.2393 38 ARG H CZ 3701 N NH1 . ARG C 38 ? 0.8168 1.0173 0.9412 -0.0367 0.0750 0.2599 38 ARG H NH1 3702 N NH2 . ARG C 38 ? 0.9332 0.9956 1.0089 -0.0581 0.0888 0.2433 38 ARG H NH2 3703 N N . GLN C 39 ? 0.5079 0.8873 0.6638 0.0304 0.0704 0.1490 39 GLN H N 3704 C CA . GLN C 39 ? 0.5116 0.9467 0.6638 0.0180 0.0660 0.1489 39 GLN H CA 3705 C C . GLN C 39 ? 0.5161 1.0147 0.6744 -0.0018 0.0623 0.1622 39 GLN H C 3706 O O . GLN C 39 ? 0.5020 1.0446 0.6670 0.0166 0.0674 0.1621 39 GLN H O 3707 C CB . GLN C 39 ? 0.4959 0.9614 0.6501 0.0513 0.0723 0.1391 39 GLN H CB 3708 C CG . GLN C 39 ? 0.5069 1.0530 0.6631 0.0475 0.0684 0.1445 39 GLN H CG 3709 C CD . GLN C 39 ? 0.5121 1.0763 0.6665 0.0878 0.0768 0.1402 39 GLN H CD 3710 O OE1 . GLN C 39 ? 0.5347 1.0740 0.6871 0.1214 0.0897 0.1343 39 GLN H OE1 3711 N NE2 . GLN C 39 ? 0.5426 1.1476 0.6933 0.0825 0.0700 0.1441 39 GLN H NE2 3712 N N . ALA C 40 ? 0.5501 1.0475 0.7007 -0.0415 0.0554 0.1729 40 ALA H N 3713 C CA . ALA C 40 ? 0.5565 1.1163 0.7118 -0.0690 0.0523 0.1897 40 ALA H CA 3714 C C . ALA C 40 ? 0.5424 1.2056 0.7093 -0.0645 0.0515 0.1901 40 ALA H C 3715 O O . ALA C 40 ? 0.5455 1.2273 0.7112 -0.0603 0.0483 0.1821 40 ALA H O 3716 C CB . ALA C 40 ? 0.6088 1.1267 0.7468 -0.1186 0.0473 0.2016 40 ALA H CB 3717 N N . PRO C 41 ? 0.5386 1.2770 0.7160 -0.0630 0.0553 0.2020 41 PRO H N 3718 C CA . PRO C 41 ? 0.5303 1.3758 0.7215 -0.0451 0.0597 0.2056 41 PRO H CA 3719 C C . PRO C 41 ? 0.5497 1.4437 0.7450 -0.0641 0.0504 0.2074 41 PRO H C 3720 O O . PRO C 41 ? 0.5455 1.4641 0.7447 -0.0277 0.0537 0.2008 41 PRO H O 3721 C CB . PRO C 41 ? 0.5345 1.4501 0.7322 -0.0704 0.0613 0.2253 41 PRO H CB 3722 C CG . PRO C 41 ? 0.5347 1.3777 0.7207 -0.0709 0.0633 0.2258 41 PRO H CG 3723 C CD . PRO C 41 ? 0.5459 1.2780 0.7211 -0.0741 0.0575 0.2153 41 PRO H CD 3724 N N . GLY C 42 ? 0.5848 1.4903 0.7749 -0.1237 0.0390 0.2174 42 GLY H N 3725 C CA . GLY C 42 ? 0.6066 1.5776 0.7974 -0.1569 0.0270 0.2197 42 GLY H CA 3726 C C . GLY C 42 ? 0.6186 1.5122 0.7881 -0.1562 0.0209 0.2003 42 GLY H C 3727 O O . GLY C 42 ? 0.6124 1.5672 0.7849 -0.1472 0.0149 0.1983 42 GLY H O 3728 N N . LYS C 43 ? 0.6384 1.4031 0.7861 -0.1612 0.0240 0.1886 43 LYS H N 3729 C CA . LYS C 43 ? 0.6729 1.3520 0.7929 -0.1690 0.0207 0.1700 43 LYS H CA 3730 C C . LYS C 43 ? 0.6200 1.2712 0.7459 -0.1075 0.0288 0.1588 43 LYS H C 3731 O O . LYS C 43 ? 0.5754 1.2708 0.7230 -0.0619 0.0367 0.1639 43 LYS H O 3732 C CB . LYS C 43 ? 0.7405 1.2934 0.8319 -0.1987 0.0247 0.1660 43 LYS H CB 3733 C CG . LYS C 43 ? 0.8161 1.3773 0.8968 -0.2603 0.0208 0.1811 43 LYS H CG 3734 C CD . LYS C 43 ? 0.9209 1.3420 0.9666 -0.2819 0.0293 0.1807 43 LYS H CD 3735 C CE . LYS C 43 ? 1.0234 1.3642 1.0215 -0.3203 0.0278 0.1588 43 LYS H CE 3736 N NZ . LYS C 43 ? 1.1210 1.3121 1.0776 -0.3349 0.0420 0.1591 43 LYS H NZ 3737 N N . GLY C 44 ? 0.6311 1.2028 0.7322 -0.1084 0.0290 0.1430 44 GLY H N 3738 C CA . GLY C 44 ? 0.5981 1.1426 0.7008 -0.0578 0.0369 0.1341 44 GLY H CA 3739 C C . GLY C 44 ? 0.5781 1.0260 0.6813 -0.0315 0.0489 0.1288 44 GLY H C 3740 O O . GLY C 44 ? 0.5840 1.0135 0.6980 -0.0334 0.0522 0.1366 44 GLY H O 3741 N N . LEU C 45 ? 0.5590 0.9552 0.6505 -0.0082 0.0552 0.1180 45 LEU H N 3742 C CA . LEU C 45 ? 0.5355 0.8565 0.6317 0.0183 0.0671 0.1152 45 LEU H CA 3743 C C . LEU C 45 ? 0.5769 0.8151 0.6517 -0.0028 0.0706 0.1115 45 LEU H C 3744 O O . LEU C 45 ? 0.6202 0.8266 0.6636 -0.0247 0.0694 0.1005 45 LEU H O 3745 C CB . LEU C 45 ? 0.5159 0.8237 0.6106 0.0542 0.0754 0.1089 45 LEU H CB 3746 C CG . LEU C 45 ? 0.4701 0.8337 0.5801 0.0863 0.0791 0.1144 45 LEU H CG 3747 C CD1 . LEU C 45 ? 0.4623 0.7986 0.5644 0.1179 0.0895 0.1116 45 LEU H CD1 3748 C CD2 . LEU C 45 ? 0.4592 0.8240 0.5879 0.0964 0.0840 0.1180 45 LEU H CD2 3749 N N . GLU C 46 ? 0.5784 0.7818 0.6665 0.0056 0.0764 0.1213 46 GLU H N 3750 C CA . GLU C 46 ? 0.6399 0.7608 0.7090 -0.0025 0.0846 0.1243 46 GLU H CA 3751 C C . GLU C 46 ? 0.6168 0.7060 0.7044 0.0343 0.0961 0.1311 46 GLU H C 3752 O O . GLU C 46 ? 0.5732 0.6965 0.6893 0.0474 0.0942 0.1431 46 GLU H O 3753 C CB . GLU C 46 ? 0.6781 0.7942 0.7433 -0.0327 0.0806 0.1395 46 GLU H CB 3754 C CG . GLU C 46 ? 0.8169 0.8332 0.8455 -0.0493 0.0912 0.1416 46 GLU H CG 3755 C CD . GLU C 46 ? 0.9141 0.9162 0.9385 -0.0750 0.0905 0.1635 46 GLU H CD 3756 O OE1 . GLU C 46 ? 0.9087 0.9790 0.9424 -0.1049 0.0784 0.1691 46 GLU H OE1 3757 O OE2 . GLU C 46 ? 0.9760 0.9011 0.9872 -0.0624 0.1039 0.1785 46 GLU H OE2 3758 N N . TRP C 47 ? 0.6354 0.6665 0.7044 0.0486 0.1083 0.1228 47 TRP H N 3759 C CA . TRP C 47 ? 0.6144 0.6217 0.7012 0.0828 0.1216 0.1319 47 TRP H CA 3760 C C . TRP C 47 ? 0.6343 0.6068 0.7246 0.0881 0.1280 0.1532 47 TRP H C 3761 O O . TRP C 47 ? 0.6975 0.6044 0.7546 0.0752 0.1351 0.1543 47 TRP H O 3762 C CB . TRP C 47 ? 0.6542 0.6129 0.7166 0.0989 0.1362 0.1185 47 TRP H CB 3763 C CG . TRP C 47 ? 0.6649 0.6085 0.7473 0.1342 0.1523 0.1312 47 TRP H CG 3764 C CD1 . TRP C 47 ? 0.6424 0.6351 0.7617 0.1524 0.1528 0.1391 47 TRP H CD1 3765 C CD2 . TRP C 47 ? 0.7500 0.6284 0.8157 0.1553 0.1721 0.1394 47 TRP H CD2 3766 N NE1 . TRP C 47 ? 0.6563 0.6351 0.7894 0.1805 0.1692 0.1536 47 TRP H NE1 3767 C CE2 . TRP C 47 ? 0.7305 0.6401 0.8320 0.1885 0.1826 0.1553 47 TRP H CE2 3768 C CE3 . TRP C 47 ? 0.8657 0.6582 0.8858 0.1493 0.1844 0.1351 47 TRP H CE3 3769 C CZ2 . TRP C 47 ? 0.8146 0.6861 0.9140 0.2230 0.2052 0.1706 47 TRP H CZ2 3770 C CZ3 . TRP C 47 ? 0.9287 0.6636 0.9389 0.1857 0.2095 0.1475 47 TRP H CZ3 3771 C CH2 . TRP C 47 ? 0.9018 0.6830 0.9546 0.2259 0.2199 0.1668 47 TRP H CH2 3772 N N . MET C 48 ? 0.5885 0.6036 0.7154 0.1063 0.1263 0.1712 48 MET H N 3773 C CA . MET C 48 ? 0.6166 0.6191 0.7525 0.1168 0.1307 0.1989 48 MET H CA 3774 C C . MET C 48 ? 0.6473 0.6250 0.7933 0.1553 0.1487 0.2128 48 MET H C 3775 O O . MET C 48 ? 0.7077 0.6308 0.8393 0.1731 0.1631 0.2315 48 MET H O 3776 C CB . MET C 48 ? 0.5680 0.6481 0.7355 0.1104 0.1157 0.2127 48 MET H CB 3777 C CG . MET C 48 ? 0.5495 0.6643 0.7092 0.0790 0.1016 0.2015 48 MET H CG 3778 S SD . MET C 48 ? 0.5323 0.7294 0.7173 0.0730 0.0882 0.2156 48 MET H SD 3779 C CE . MET C 48 ? 0.5211 0.7004 0.7111 0.0863 0.0929 0.2551 48 MET H CE 3780 N N . GLY C 49 ? 0.6185 0.6355 0.7877 0.1695 0.1504 0.2054 49 GLY H N 3781 C CA . GLY C 49 ? 0.6369 0.6563 0.8250 0.2057 0.1673 0.2217 49 GLY H CA 3782 C C . GLY C 49 ? 0.5946 0.6717 0.8122 0.2098 0.1663 0.2155 49 GLY H C 3783 O O . GLY C 49 ? 0.5543 0.6651 0.7774 0.1869 0.1529 0.1995 49 GLY H O 3784 N N . ILE C 50 ? 0.6141 0.6989 0.8483 0.2409 0.1838 0.2306 50 ILE H N 3785 C CA . ILE C 50 ? 0.5770 0.7168 0.8402 0.2433 0.1868 0.2301 50 ILE H CA 3786 C C . ILE C 50 ? 0.5687 0.7774 0.8759 0.2663 0.1931 0.2639 50 ILE H C 3787 O O . ILE C 50 ? 0.6062 0.7997 0.9150 0.3014 0.2080 0.2879 50 ILE H O 3788 C CB . ILE C 50 ? 0.6057 0.6995 0.8437 0.2570 0.2057 0.2128 50 ILE H CB 3789 C CG1 . ILE C 50 ? 0.5946 0.7437 0.8609 0.2538 0.2096 0.2147 50 ILE H CG1 3790 C CG2 . ILE C 50 ? 0.6526 0.6963 0.8735 0.2965 0.2314 0.2245 50 ILE H CG2 3791 C CD1 . ILE C 50 ? 0.6478 0.7603 0.8889 0.2675 0.2287 0.2013 50 ILE H CD1 3792 N N . ILE C 51 ? 0.5294 0.8145 0.8696 0.2454 0.1825 0.2665 51 ILE H N 3793 C CA . ILE C 51 ? 0.5314 0.9017 0.9170 0.2604 0.1888 0.2966 51 ILE H CA 3794 C C . ILE C 51 ? 0.5390 0.9227 0.9324 0.2547 0.2014 0.2868 51 ILE H C 3795 O O . ILE C 51 ? 0.5296 0.9258 0.9220 0.2174 0.1910 0.2686 51 ILE H O 3796 C CB . ILE C 51 ? 0.5002 0.9625 0.9176 0.2320 0.1655 0.3115 51 ILE H CB 3797 C CG1 . ILE C 51 ? 0.5034 1.0682 0.9703 0.2531 0.1717 0.3514 51 ILE H CG1 3798 C CG2 . ILE C 51 ? 0.4611 0.9359 0.8718 0.1821 0.1506 0.2827 51 ILE H CG2 3799 C CD1 . ILE C 51 ? 0.5002 1.1629 0.9949 0.2330 0.1484 0.3742 51 ILE H CD1 3800 N N . GLY C 52 ? 0.5777 0.9509 0.9736 0.2941 0.2270 0.2994 52 GLY H N 3801 C CA . GLY C 52 ? 0.5870 0.9723 0.9875 0.2939 0.2434 0.2943 52 GLY H CA 3802 C C . GLY C 52 ? 0.5697 1.0652 1.0209 0.2710 0.2388 0.3149 52 GLY H C 3803 O O . GLY C 52 ? 0.5540 1.1321 1.0423 0.2658 0.2262 0.3395 52 GLY H O 3804 N N . HIS C 53 ? 0.5769 1.0760 1.0271 0.2543 0.2492 0.3063 53 HIS H N 3805 C CA . HIS C 53 ? 0.5621 1.1580 1.0542 0.2195 0.2463 0.3223 53 HIS H CA 3806 C C . HIS C 53 ? 0.5645 1.2752 1.1112 0.2451 0.2523 0.3640 53 HIS H C 3807 O O . HIS C 53 ? 0.5490 1.3646 1.1364 0.2092 0.2395 0.3814 53 HIS H O 3808 C CB . HIS C 53 ? 0.5765 1.1566 1.0591 0.2110 0.2664 0.3163 53 HIS H CB 3809 C CG . HIS C 53 ? 0.5818 1.1954 1.0812 0.2593 0.2967 0.3398 53 HIS H CG 3810 N ND1 . HIS C 53 ? 0.6101 1.1478 1.0732 0.3106 0.3162 0.3314 53 HIS H ND1 3811 C CD2 . HIS C 53 ? 0.5853 1.3021 1.1310 0.2636 0.3130 0.3709 53 HIS H CD2 3812 C CE1 . HIS C 53 ? 0.6358 1.2205 1.1183 0.3496 0.3455 0.3548 53 HIS H CE1 3813 N NE2 . HIS C 53 ? 0.6159 1.3163 1.1526 0.3240 0.3441 0.3813 53 HIS H NE2 3814 N N . ALA C 54 ? 0.5956 1.2858 1.1396 0.3073 0.2729 0.3804 54 ALA H N 3815 C CA . ALA C 54 ? 0.6112 1.4091 1.2061 0.3496 0.2876 0.4263 54 ALA H CA 3816 C C . ALA C 54 ? 0.6140 1.4476 1.2254 0.3654 0.2706 0.4494 54 ALA H C 3817 O O . ALA C 54 ? 0.6208 1.5534 1.2764 0.4037 0.2791 0.4935 54 ALA H O 3818 C CB . ALA C 54 ? 0.6564 1.4079 1.2342 0.4166 0.3269 0.4343 54 ALA H CB 3819 N N . GLY C 55 ? 0.6094 1.3689 1.1853 0.3374 0.2475 0.4225 55 GLY H N 3820 C CA . GLY C 55 ? 0.6124 1.3971 1.1961 0.3456 0.2294 0.4423 55 GLY H CA 3821 C C . GLY C 55 ? 0.6618 1.3409 1.2079 0.3996 0.2464 0.4459 55 GLY H C 3822 O O . GLY C 55 ? 0.6659 1.3365 1.2058 0.4059 0.2337 0.4593 55 GLY H O 3823 N N . GLY C 56 ? 0.7101 1.3053 1.2260 0.4356 0.2764 0.4334 56 GLY H N 3824 C CA . GLY C 56 ? 0.7812 1.2507 1.2461 0.4783 0.2961 0.4276 56 GLY H CA 3825 C C . GLY C 56 ? 0.7805 1.1551 1.1983 0.4367 0.2742 0.3913 56 GLY H C 3826 O O . GLY C 56 ? 0.7244 1.1009 1.1362 0.3856 0.2535 0.3608 56 GLY H O 3827 N N . THR C 57 ? 0.8496 1.1403 1.2326 0.4604 0.2814 0.3970 57 THR H N 3828 C CA . THR C 57 ? 0.8593 1.0720 1.2009 0.4209 0.2614 0.3689 57 THR H CA 3829 C C . THR C 57 ? 0.9459 1.0167 1.2224 0.4380 0.2822 0.3510 57 THR H C 3830 O O . THR C 57 ? 1.0287 1.0466 1.2878 0.4885 0.3109 0.3728 57 THR H O 3831 C CB . THR C 57 ? 0.8430 1.1092 1.2066 0.4085 0.2384 0.3955 57 THR H CB 3832 O OG1 . THR C 57 ? 0.8076 1.2100 1.2272 0.3906 0.2197 0.4132 57 THR H OG1 3833 C CG2 . THR C 57 ? 0.8490 1.0609 1.1782 0.3601 0.2159 0.3652 57 THR H CG2 3834 N N . ASP C 58 ? 0.9431 0.9539 1.1810 0.3939 0.2681 0.3111 58 ASP H N 3835 C CA . ASP C 58 ? 1.0279 0.9113 1.1997 0.3879 0.2786 0.2891 58 ASP H CA 3836 C C . ASP C 58 ? 0.9985 0.8759 1.1583 0.3356 0.2492 0.2743 58 ASP H C 3837 O O . ASP C 58 ? 0.9178 0.8726 1.1086 0.3041 0.2239 0.2672 58 ASP H O 3838 C CB . ASP C 58 ? 1.0606 0.8806 1.1885 0.3866 0.2948 0.2528 58 ASP H CB 3839 C CG . ASP C 58 ? 1.1883 0.8701 1.2422 0.3954 0.3182 0.2361 58 ASP H CG 3840 O OD1 . ASP C 58 ? 1.2854 0.9156 1.3250 0.4458 0.3493 0.2578 58 ASP H OD1 3841 O OD2 . ASP C 58 ? 1.2286 0.8533 1.2358 0.3518 0.3069 0.2018 58 ASP H OD2 3842 N N . TYR C 59 ? 1.0748 0.8570 1.1865 0.3268 0.2555 0.2704 59 TYR H N 3843 C CA . TYR C 59 ? 1.0633 0.8453 1.1648 0.2792 0.2309 0.2631 59 TYR H CA 3844 C C . TYR C 59 ? 1.1347 0.8166 1.1718 0.2444 0.2341 0.2308 59 TYR H C 3845 O O . TYR C 59 ? 1.2004 0.7999 1.1921 0.2559 0.2559 0.2113 59 TYR H O 3846 C CB . TYR C 59 ? 1.0913 0.8829 1.2073 0.2924 0.2297 0.3039 59 TYR H CB 3847 C CG . TYR C 59 ? 1.0584 0.9639 1.2366 0.3210 0.2228 0.3391 59 TYR H CG 3848 C CD1 . TYR C 59 ? 0.9890 0.9996 1.2063 0.2904 0.1939 0.3369 59 TYR H CD1 3849 C CD2 . TYR C 59 ? 1.1148 1.0257 1.3097 0.3782 0.2464 0.3749 59 TYR H CD2 3850 C CE1 . TYR C 59 ? 0.9493 1.0671 1.2174 0.3066 0.1855 0.3659 59 TYR H CE1 3851 C CE2 . TYR C 59 ? 1.0667 1.1003 1.3209 0.3991 0.2373 0.4095 59 TYR H CE2 3852 C CZ . TYR C 59 ? 0.9853 1.1220 1.2743 0.3582 0.2053 0.4032 59 TYR H CZ 3853 O OH . TYR C 59 ? 0.9590 1.2208 1.3012 0.3689 0.1940 0.4341 59 TYR H OH 3854 N N . ASN C 60 ? 1.1265 0.8252 1.1593 0.1989 0.2118 0.2254 60 ASN H N 3855 C CA . ASN C 60 ? 1.2011 0.8272 1.1781 0.1526 0.2089 0.1992 60 ASN H CA 3856 C C . ASN C 60 ? 1.3260 0.8438 1.2577 0.1496 0.2266 0.2158 60 ASN H C 3857 O O . ASN C 60 ? 1.3315 0.8660 1.2834 0.1567 0.2239 0.2503 60 ASN H O 3858 C CB . ASN C 60 ? 1.1314 0.8386 1.1281 0.1061 0.1788 0.1894 60 ASN H CB 3859 C CG . ASN C 60 ? 1.2042 0.8624 1.1502 0.0528 0.1730 0.1654 60 ASN H CG 3860 O OD1 . ASN C 60 ? 1.2324 0.9072 1.1767 0.0165 0.1605 0.1744 60 ASN H OD1 3861 N ND2 . ASN C 60 ? 1.2648 0.8695 1.1678 0.0446 0.1818 0.1353 60 ASN H ND2 3862 N N . SER C 61 ? 1.4426 0.8446 1.3068 0.1372 0.2459 0.1905 61 SER H N 3863 C CA . SER C 61 ? 1.5890 0.8529 1.3932 0.1372 0.2715 0.2017 61 SER H CA 3864 C C . SER C 61 ? 1.6049 0.8765 1.4125 0.0977 0.2567 0.2248 61 SER H C 3865 O O . SER C 61 ? 1.6788 0.8882 1.4745 0.1202 0.2740 0.2603 61 SER H O 3866 C CB . SER C 61 ? 1.7047 0.8461 1.4236 0.1030 0.2870 0.1586 61 SER H CB 3867 O OG . SER C 61 ? 1.7279 0.8546 1.4351 0.1417 0.3046 0.1375 61 SER H OG 3868 N N . ASN C 62 ? 1.5440 0.8970 1.3678 0.0419 0.2264 0.2079 62 ASN H N 3869 C CA . ASN C 62 ? 1.5525 0.9279 1.3798 -0.0025 0.2116 0.2278 62 ASN H CA 3870 C C . ASN C 62 ? 1.4817 0.9457 1.3702 0.0348 0.2037 0.2704 62 ASN H C 3871 O O . ASN C 62 ? 1.5306 0.9683 1.4126 0.0313 0.2085 0.3047 62 ASN H O 3872 C CB . ASN C 62 ? 1.4974 0.9560 1.3312 -0.0656 0.1829 0.2016 62 ASN H CB 3873 C CG . ASN C 62 ? 1.6204 0.9864 1.3826 -0.1305 0.1873 0.1754 62 ASN H CG 3874 O OD1 . ASN C 62 ? 1.7440 0.9968 1.4482 -0.1279 0.2079 0.1519 62 ASN H OD1 3875 N ND2 . ASN C 62 ? 1.6035 1.0192 1.3663 -0.1918 0.1690 0.1787 62 ASN H ND2 3876 N N . LEU C 63 ? 1.3821 0.9494 1.3256 0.0681 0.1923 0.2680 63 LEU H N 3877 C CA . LEU C 63 ? 1.3209 0.9781 1.3197 0.1038 0.1847 0.3038 63 LEU H CA 3878 C C . LEU C 63 ? 1.3871 0.9929 1.3860 0.1653 0.2106 0.3320 63 LEU H C 3879 O O . LEU C 63 ? 1.3473 1.0012 1.3790 0.2041 0.2141 0.3311 63 LEU H O 3880 C CB . LEU C 63 ? 1.1970 0.9771 1.2474 0.1074 0.1635 0.2872 63 LEU H CB 3881 C CG . LEU C 63 ? 1.1254 0.9725 1.1821 0.0600 0.1403 0.2642 63 LEU H CG 3882 C CD1 . LEU C 63 ? 1.0175 0.9607 1.1162 0.0729 0.1268 0.2493 63 LEU H CD1 3883 C CD2 . LEU C 63 ? 1.1266 1.0046 1.1856 0.0337 0.1305 0.2890 63 LEU H CD2 3884 N N . LYS C 64 ? 1.5075 1.0142 1.4678 0.1742 0.2309 0.3598 64 LYS H N 3885 C CA . LYS C 64 ? 1.5977 1.0330 1.5459 0.2392 0.2631 0.3897 64 LYS H CA 3886 C C . LYS C 64 ? 1.5940 1.0807 1.5749 0.2766 0.2636 0.4489 64 LYS H C 3887 O O . LYS C 64 ? 1.6790 1.0899 1.6255 0.2723 0.2755 0.4791 64 LYS H O 3888 C CB . LYS C 64 ? 1.7633 1.0167 1.6276 0.2314 0.2951 0.3771 64 LYS H CB 3889 C CG . LYS C 64 ? 1.8870 1.0441 1.7272 0.3069 0.3365 0.4089 64 LYS H CG 3890 C CD . LYS C 64 ? 2.0734 1.0292 1.8161 0.2937 0.3713 0.3890 64 LYS H CD 3891 C CE . LYS C 64 ? 2.2155 1.0654 1.9287 0.3790 0.4188 0.4224 64 LYS H CE 3892 N NZ . LYS C 64 ? 2.4090 1.0438 2.0197 0.3662 0.4558 0.4179 64 LYS H NZ 3893 N N . SER C 65 ? 1.4930 1.1111 1.5379 0.3102 0.2506 0.4663 65 SER H N 3894 C CA . SER C 65 ? 1.5008 1.1804 1.5797 0.3615 0.2551 0.5259 65 SER H CA 3895 C C . SER C 65 ? 1.4207 1.2097 1.5301 0.3311 0.2247 0.5484 65 SER H C 3896 O O . SER C 65 ? 1.4532 1.2840 1.5785 0.3640 0.2267 0.6021 65 SER H O 3897 C CB . SER C 65 ? 1.6580 1.1987 1.6870 0.4061 0.2932 0.5643 65 SER H CB 3898 O OG . SER C 65 ? 1.7319 1.2327 1.7336 0.3770 0.2891 0.5911 65 SER H OG 3899 N N . ARG C 66 ? 1.3280 1.1624 1.4413 0.2711 0.1986 0.5092 66 ARG H N 3900 C CA . ARG C 66 ? 1.2347 1.1934 1.3803 0.2440 0.1690 0.5207 66 ARG H CA 3901 C C . ARG C 66 ? 1.1133 1.1668 1.2919 0.2186 0.1462 0.4775 66 ARG H C 3902 O O . ARG C 66 ? 1.0431 1.1877 1.2391 0.1896 0.1232 0.4716 66 ARG H O 3903 C CB . ARG C 66 ? 1.2725 1.1934 1.3841 0.1983 0.1638 0.5265 66 ARG H CB 3904 C CG . ARG C 66 ? 1.2215 1.1338 1.3171 0.1399 0.1512 0.4760 66 ARG H CG 3905 C CD . ARG C 66 ? 1.2666 1.1188 1.3221 0.0974 0.1546 0.4887 66 ARG H CD 3906 N NE . ARG C 66 ? 1.1977 1.1285 1.2622 0.0463 0.1326 0.4634 66 ARG H NE 3907 C CZ . ARG C 66 ? 1.1636 1.1016 1.2259 0.0161 0.1249 0.4168 66 ARG H CZ 3908 N NH1 . ARG C 66 ? 1.1814 1.0522 1.2305 0.0271 0.1353 0.3885 66 ARG H NH1 3909 N NH2 . ARG C 66 ? 1.1110 1.1289 1.1834 -0.0213 0.1081 0.4008 66 ARG H NH2 3910 N N . VAL C 67 ? 1.0954 1.1185 1.2765 0.2321 0.1561 0.4481 67 VAL H N 3911 C CA . VAL C 67 ? 1.0008 1.1047 1.2141 0.2206 0.1408 0.4156 67 VAL H CA 3912 C C . VAL C 67 ? 0.9816 1.1452 1.2333 0.2644 0.1474 0.4390 67 VAL H C 3913 O O . VAL C 67 ? 1.0447 1.1601 1.2918 0.3101 0.1708 0.4664 67 VAL H O 3914 C CB . VAL C 67 ? 0.9961 1.0374 1.1865 0.2019 0.1463 0.3681 67 VAL H CB 3915 C CG1 . VAL C 67 ? 0.9145 1.0295 1.1368 0.1990 0.1359 0.3427 67 VAL H CG1 3916 C CG2 . VAL C 67 ? 1.0116 1.0215 1.1709 0.1544 0.1365 0.3456 67 VAL H CG2 3917 N N . SER C 68 ? 0.9029 1.1724 1.1903 0.2494 0.1283 0.4284 68 SER H N 3918 C CA . SER C 68 ? 0.8833 1.2358 1.2131 0.2791 0.1301 0.4504 68 SER H CA 3919 C C . SER C 68 ? 0.8111 1.2344 1.1638 0.2483 0.1148 0.4174 68 SER H C 3920 O O . SER C 68 ? 0.7799 1.2560 1.1328 0.2100 0.0936 0.4012 68 SER H O 3921 C CB . SER C 68 ? 0.8998 1.3400 1.2533 0.2970 0.1209 0.5020 68 SER H CB 3922 O OG . SER C 68 ? 0.8704 1.4325 1.2698 0.3020 0.1107 0.5151 68 SER H OG 3923 N N . ILE C 69 ? 0.7965 1.2144 1.1638 0.2663 0.1287 0.4084 69 ILE H N 3924 C CA . ILE C 69 ? 0.7351 1.2041 1.1200 0.2378 0.1194 0.3795 69 ILE H CA 3925 C C . ILE C 69 ? 0.7173 1.2817 1.1479 0.2563 0.1228 0.4068 69 ILE H C 3926 O O . ILE C 69 ? 0.7488 1.2990 1.1915 0.2992 0.1452 0.4263 69 ILE H O 3927 C CB . ILE C 69 ? 0.7319 1.1154 1.0912 0.2331 0.1323 0.3408 69 ILE H CB 3928 C CG1 . ILE C 69 ? 0.7533 1.0604 1.0711 0.2115 0.1274 0.3155 69 ILE H CG1 3929 C CG2 . ILE C 69 ? 0.7052 1.1323 1.0788 0.2049 0.1254 0.3155 69 ILE H CG2 3930 C CD1 . ILE C 69 ? 0.7819 1.0125 1.0714 0.2086 0.1388 0.2821 69 ILE H CD1 3931 N N . SER C 70 ? 0.6713 1.3369 1.1246 0.2215 0.1011 0.4076 70 SER H N 3932 C CA . SER C 70 ? 0.6501 1.4250 1.1484 0.2216 0.0997 0.4283 70 SER H CA 3933 C C . SER C 70 ? 0.6093 1.4204 1.1061 0.1619 0.0840 0.3921 70 SER H C 3934 O O . SER C 70 ? 0.5954 1.3376 1.0554 0.1313 0.0785 0.3516 70 SER H O 3935 C CB . SER C 70 ? 0.6600 1.5487 1.1912 0.2405 0.0890 0.4804 70 SER H CB 3936 O OG . SER C 70 ? 0.6596 1.6013 1.1793 0.1965 0.0614 0.4732 70 SER H OG 3937 N N . ARG C 71 ? 0.5882 1.5079 1.1234 0.1461 0.0786 0.4088 71 ARG H N 3938 C CA . ARG C 71 ? 0.5713 1.5148 1.1010 0.0857 0.0683 0.3755 71 ARG H CA 3939 C C . ARG C 71 ? 0.5702 1.6616 1.1398 0.0526 0.0529 0.3990 71 ARG H C 3940 O O . ARG C 71 ? 0.5716 1.7670 1.1834 0.0837 0.0512 0.4472 71 ARG H O 3941 C CB . ARG C 71 ? 0.5684 1.4362 1.0908 0.0903 0.0902 0.3524 71 ARG H CB 3942 C CG . ARG C 71 ? 0.5536 1.4793 1.1201 0.1259 0.1091 0.3864 71 ARG H CG 3943 C CD . ARG C 71 ? 0.5602 1.4071 1.1124 0.1312 0.1316 0.3635 71 ARG H CD 3944 N NE . ARG C 71 ? 0.5697 1.4997 1.1660 0.1432 0.1470 0.3912 71 ARG H NE 3945 C CZ . ARG C 71 ? 0.5373 1.4252 1.1292 0.1519 0.1694 0.3816 71 ARG H CZ 3946 N NH1 . ARG C 71 ? 0.5814 1.3457 1.1262 0.1509 0.1775 0.3458 71 ARG H NH1 3947 N NH2 . ARG C 71 ? 0.5042 1.4836 1.1397 0.1626 0.1841 0.4109 71 ARG H NH2 3948 N N . ASP C 72 ? 0.5784 1.6752 1.1299 -0.0123 0.0426 0.3642 72 ASP H N 3949 C CA . ASP C 72 ? 0.5932 1.8225 1.1746 -0.0635 0.0277 0.3763 72 ASP H CA 3950 C C . ASP C 72 ? 0.6141 1.7967 1.1787 -0.1147 0.0369 0.3409 72 ASP H C 3951 O O . ASP C 72 ? 0.6408 1.7400 1.1535 -0.1601 0.0332 0.2954 72 ASP H O 3952 C CB . ASP C 72 ? 0.6117 1.9123 1.1741 -0.1098 -0.0020 0.3709 72 ASP H CB 3953 C CG . ASP C 72 ? 0.6318 2.1184 1.2434 -0.1330 -0.0212 0.4123 72 ASP H CG 3954 O OD1 . ASP C 72 ? 0.6447 2.2029 1.2930 -0.1539 -0.0158 0.4245 72 ASP H OD1 3955 O OD2 . ASP C 72 ? 0.6549 2.2253 1.2692 -0.1312 -0.0421 0.4357 72 ASP H OD2 3956 N N . THR C 73 ? 0.6099 1.8450 1.2172 -0.1036 0.0521 0.3650 73 THR H N 3957 C CA . THR C 73 ? 0.6238 1.8068 1.2177 -0.1432 0.0668 0.3395 73 THR H CA 3958 C C . THR C 73 ? 0.6579 1.8881 1.2331 -0.2350 0.0484 0.3164 73 THR H C 3959 O O . THR C 73 ? 0.6936 1.8280 1.2250 -0.2805 0.0570 0.2782 73 THR H O 3960 C CB . THR C 73 ? 0.6136 1.8624 1.2609 -0.1115 0.0882 0.3760 73 THR H CB 3961 O OG1 . THR C 73 ? 0.5860 1.8051 1.2483 -0.0253 0.1050 0.4008 73 THR H OG1 3962 C CG2 . THR C 73 ? 0.6476 1.8091 1.2713 -0.1392 0.1088 0.3499 73 THR H CG2 3963 N N . SER C 74 ? 0.6545 2.0298 1.2579 -0.2622 0.0236 0.3402 74 SER H N 3964 C CA . SER C 74 ? 0.7077 2.1439 1.2905 -0.3584 0.0032 0.3181 74 SER H CA 3965 C C . SER C 74 ? 0.7537 2.0478 1.2528 -0.3984 -0.0003 0.2587 74 SER H C 3966 O O . SER C 74 ? 0.8223 2.0823 1.2789 -0.4770 -0.0024 0.2229 74 SER H O 3967 C CB . SER C 74 ? 0.7022 2.3308 1.3260 -0.3774 -0.0267 0.3558 74 SER H CB 3968 O OG . SER C 74 ? 0.6856 2.3121 1.3006 -0.3275 -0.0384 0.3672 74 SER H OG 3969 N N . LYS C 75 ? 0.7231 1.9334 1.1965 -0.3440 0.0016 0.2492 75 LYS H N 3970 C CA . LYS C 75 ? 0.7622 1.8480 1.1594 -0.3683 0.0010 0.1975 75 LYS H CA 3971 C C . LYS C 75 ? 0.7523 1.6734 1.1177 -0.3280 0.0286 0.1731 75 LYS H C 3972 O O . LYS C 75 ? 0.7926 1.6004 1.0960 -0.3386 0.0351 0.1322 75 LYS H O 3973 C CB . LYS C 75 ? 0.7467 1.8662 1.1342 -0.3414 -0.0171 0.2047 75 LYS H CB 3974 C CG . LYS C 75 ? 0.7578 2.0517 1.1776 -0.3698 -0.0460 0.2367 75 LYS H CG 3975 C CD . LYS C 75 ? 0.7677 2.0781 1.1687 -0.3421 -0.0609 0.2434 75 LYS H CD 3976 C CE . LYS C 75 ? 0.7963 2.2838 1.2206 -0.3730 -0.0917 0.2753 75 LYS H CE 3977 N NZ . LYS C 75 ? 0.8094 2.3076 1.2096 -0.3466 -0.1045 0.2833 75 LYS H NZ 3978 N N . SER C 76 ? 0.7031 1.6189 1.1103 -0.2796 0.0458 0.2001 76 SER H N 3979 C CA . SER C 76 ? 0.6826 1.4646 1.0670 -0.2312 0.0693 0.1858 76 SER H CA 3980 C C . SER C 76 ? 0.6541 1.3806 1.0109 -0.1925 0.0640 0.1740 76 SER H C 3981 O O . SER C 76 ? 0.6845 1.3088 0.9884 -0.1975 0.0709 0.1388 76 SER H O 3982 C CB . SER C 76 ? 0.7374 1.4091 1.0714 -0.2716 0.0861 0.1494 76 SER H CB 3983 O OG . SER C 76 ? 0.7683 1.4861 1.1271 -0.3107 0.0935 0.1625 76 SER H OG 3984 N N . GLN C 77 ? 0.6005 1.3979 0.9937 -0.1524 0.0539 0.2071 77 GLN H N 3985 C CA . GLN C 77 ? 0.5754 1.3448 0.9472 -0.1248 0.0457 0.2032 77 GLN H CA 3986 C C . GLN C 77 ? 0.5267 1.2990 0.9300 -0.0601 0.0519 0.2373 77 GLN H C 3987 O O . GLN C 77 ? 0.5001 1.3603 0.9475 -0.0391 0.0483 0.2771 77 GLN H O 3988 C CB . GLN C 77 ? 0.5934 1.4536 0.9587 -0.1632 0.0211 0.2055 77 GLN H CB 3989 C CG . GLN C 77 ? 0.6054 1.4133 0.9199 -0.1676 0.0152 0.1778 77 GLN H CG 3990 C CD . GLN C 77 ? 0.6248 1.4974 0.9101 -0.2268 -0.0046 0.1608 77 GLN H CD 3991 O OE1 . GLN C 77 ? 0.6137 1.6044 0.9292 -0.2545 -0.0217 0.1847 77 GLN H OE1 3992 N NE2 . GLN C 77 ? 0.6698 1.4705 0.8938 -0.2461 -0.0016 0.1196 77 GLN H NE2 3993 N N . VAL C 78 ? 0.5157 1.1898 0.8922 -0.0294 0.0627 0.2217 78 VAL H N 3994 C CA . VAL C 78 ? 0.4948 1.1441 0.8857 0.0243 0.0709 0.2457 78 VAL H CA 3995 C C . VAL C 78 ? 0.5016 1.1384 0.8720 0.0325 0.0604 0.2468 78 VAL H C 3996 O O . VAL C 78 ? 0.5170 1.1024 0.8508 0.0182 0.0587 0.2172 78 VAL H O 3997 C CB . VAL C 78 ? 0.4825 1.0372 0.8585 0.0494 0.0911 0.2301 78 VAL H CB 3998 C CG1 . VAL C 78 ? 0.4813 0.9827 0.8455 0.0869 0.0959 0.2372 78 VAL H CG1 3999 C CG2 . VAL C 78 ? 0.4576 1.0362 0.8639 0.0620 0.1058 0.2466 78 VAL H CG2 4000 N N . PHE C 79 ? 0.5061 1.1915 0.8999 0.0589 0.0559 0.2846 79 PHE H N 4001 C CA . PHE C 79 ? 0.5140 1.2017 0.8909 0.0632 0.0454 0.2944 79 PHE H CA 4002 C C . PHE C 79 ? 0.5299 1.1397 0.8963 0.1004 0.0584 0.3048 79 PHE H C 4003 O O . PHE C 79 ? 0.5563 1.1366 0.9370 0.1346 0.0741 0.3222 79 PHE H O 4004 C CB . PHE C 79 ? 0.5166 1.3132 0.9198 0.0643 0.0306 0.3346 79 PHE H CB 4005 C CG . PHE C 79 ? 0.5059 1.3974 0.9242 0.0236 0.0165 0.3303 79 PHE H CG 4006 C CD1 . PHE C 79 ? 0.5314 1.4374 0.9163 -0.0269 0.0020 0.2968 79 PHE H CD1 4007 C CD2 . PHE C 79 ? 0.4788 1.4471 0.9417 0.0337 0.0191 0.3594 79 PHE H CD2 4008 C CE1 . PHE C 79 ? 0.5301 1.5167 0.9206 -0.0742 -0.0111 0.2889 79 PHE H CE1 4009 C CE2 . PHE C 79 ? 0.4920 1.5568 0.9690 -0.0132 0.0046 0.3560 79 PHE H CE2 4010 C CZ . PHE C 79 ? 0.5108 1.5807 0.9490 -0.0711 -0.0114 0.3190 79 PHE H CZ 4011 N N . LEU C 80 ? 0.5323 1.1097 0.8695 0.0903 0.0530 0.2929 80 LEU H N 4012 C CA . LEU C 80 ? 0.5503 1.0651 0.8731 0.1126 0.0614 0.3059 80 LEU H CA 4013 C C . LEU C 80 ? 0.5730 1.1338 0.8940 0.1113 0.0503 0.3366 80 LEU H C 4014 O O . LEU C 80 ? 0.5653 1.1907 0.8815 0.0854 0.0348 0.3315 80 LEU H O 4015 C CB . LEU C 80 ? 0.5478 0.9970 0.8395 0.0986 0.0648 0.2708 80 LEU H CB 4016 C CG . LEU C 80 ? 0.5567 0.9439 0.8288 0.1077 0.0716 0.2799 80 LEU H CG 4017 C CD1 . LEU C 80 ? 0.5692 0.8917 0.8419 0.1351 0.0889 0.2871 80 LEU H CD1 4018 C CD2 . LEU C 80 ? 0.5481 0.9105 0.7951 0.0871 0.0695 0.2500 80 LEU H CD2 4019 N N . LYS C 81 ? 0.6142 1.1363 0.9335 0.1394 0.0602 0.3688 81 LYS H N 4020 C CA . LYS C 81 ? 0.6478 1.1965 0.9592 0.1407 0.0533 0.4027 81 LYS H CA 4021 C C . LYS C 81 ? 0.6855 1.1375 0.9705 0.1514 0.0677 0.4130 81 LYS H C 4022 O O . LYS C 81 ? 0.7268 1.1088 1.0091 0.1805 0.0862 0.4241 81 LYS H O 4023 C CB . LYS C 81 ? 0.6736 1.3017 1.0150 0.1674 0.0498 0.4509 81 LYS H CB 4024 C CG . LYS C 81 ? 0.6912 1.4309 1.0558 0.1441 0.0315 0.4425 81 LYS H CG 4025 C CD . LYS C 81 ? 0.7731 1.6193 1.1658 0.1644 0.0222 0.4965 81 LYS H CD 4026 C CE . LYS C 81 ? 0.7695 1.7335 1.1863 0.1340 0.0036 0.4874 81 LYS H CE 4027 N NZ . LYS C 81 ? 0.7877 1.8787 1.2358 0.1527 -0.0083 0.5439 81 LYS H NZ 4028 N N . LEU C 82 ? 0.6826 1.1306 0.9442 0.1245 0.0606 0.4074 82 LEU H N 4029 C CA . LEU C 82 ? 0.7298 1.0929 0.9624 0.1196 0.0719 0.4150 82 LEU H CA 4030 C C . LEU C 82 ? 0.7692 1.1524 0.9924 0.1210 0.0697 0.4606 82 LEU H C 4031 O O . LEU C 82 ? 0.7358 1.2054 0.9637 0.1066 0.0542 0.4692 82 LEU H O 4032 C CB . LEU C 82 ? 0.7065 1.0529 0.9207 0.0846 0.0678 0.3732 82 LEU H CB 4033 C CG . LEU C 82 ? 0.7693 1.0255 0.9545 0.0702 0.0792 0.3674 82 LEU H CG 4034 C CD1 . LEU C 82 ? 0.8237 0.9912 1.0010 0.0969 0.0972 0.3706 82 LEU H CD1 4035 C CD2 . LEU C 82 ? 0.7325 0.9992 0.9096 0.0418 0.0735 0.3267 82 LEU H CD2 4036 N N . ASN C 83 A 0.8429 1.1383 1.0468 0.1386 0.0875 0.4896 82 ASN H N 4037 C CA . ASN C 83 A 0.9050 1.1968 1.0946 0.1456 0.0911 0.5409 82 ASN H CA 4038 C C . ASN C 83 A 0.9545 1.1786 1.1071 0.1084 0.0969 0.5387 82 ASN H C 4039 O O . ASN C 83 A 0.9564 1.1227 1.0922 0.0810 0.1008 0.5006 82 ASN H O 4040 C CB . ASN C 83 A 0.9783 1.2135 1.1680 0.1986 0.1121 0.5863 82 ASN H CB 4041 C CG . ASN C 83 A 0.9621 1.3114 1.1892 0.2340 0.1021 0.6251 82 ASN H CG 4042 O OD1 . ASN C 83 A 0.9146 1.3780 1.1661 0.2141 0.0789 0.6085 82 ASN H OD1 4043 N ND2 . ASN C 83 A 1.0369 1.3567 1.2652 0.2866 0.1206 0.6783 82 ASN H ND2 4044 N N . SER C 84 B 0.9963 1.2373 1.1364 0.1059 0.0968 0.5837 82 SER H N 4045 C CA . SER C 84 B 1.0591 1.2365 1.1629 0.0693 0.1050 0.5947 82 SER H CA 4046 C C . SER C 84 B 1.0103 1.2182 1.1118 0.0198 0.0937 0.5456 82 SER H C 4047 O O . SER C 84 B 1.0517 1.1825 1.1297 -0.0100 0.1023 0.5242 82 SER H O 4048 C CB . SER C 84 B 1.1631 1.1860 1.2311 0.0797 0.1319 0.6065 82 SER H CB 4049 O OG . SER C 84 B 1.2253 1.2171 1.2961 0.1380 0.1472 0.6530 82 SER H OG 4050 N N . LEU C 85 C 0.9338 1.2574 1.0570 0.0120 0.0753 0.5284 82 LEU H N 4051 C CA . LEU C 85 C 0.8841 1.2509 1.0076 -0.0237 0.0670 0.4851 82 LEU H CA 4052 C C . LEU C 85 C 0.9344 1.2828 1.0335 -0.0660 0.0723 0.4974 82 LEU H C 4053 O O . LEU C 85 C 0.9598 1.3436 1.0486 -0.0768 0.0720 0.5337 82 LEU H O 4054 C CB . LEU C 85 C 0.8151 1.2980 0.9545 -0.0221 0.0515 0.4683 82 LEU H CB 4055 C CG . LEU C 85 C 0.7579 1.2601 0.9187 -0.0013 0.0454 0.4326 82 LEU H CG 4056 C CD1 . LEU C 85 C 0.8123 1.2716 0.9870 0.0333 0.0507 0.4545 82 LEU H CD1 4057 C CD2 . LEU C 85 C 0.6932 1.2945 0.8575 -0.0047 0.0323 0.4180 82 LEU H CD2 4058 N N . GLN C 86 ? 0.9519 1.2502 1.0412 -0.0925 0.0768 0.4684 83 GLN H N 4059 C CA . GLN C 86 ? 0.9943 1.2931 1.0649 -0.1425 0.0796 0.4726 83 GLN H CA 4060 C C . GLN C 86 ? 0.9321 1.3179 1.0202 -0.1578 0.0700 0.4328 83 GLN H C 4061 O O . GLN C 86 ? 0.8651 1.3098 0.9736 -0.1295 0.0627 0.4090 83 GLN H O 4062 C CB . GLN C 86 ? 1.0799 1.2525 1.1186 -0.1678 0.0929 0.4739 83 GLN H CB 4063 C CG . GLN C 86 ? 1.1933 1.2588 1.2074 -0.1441 0.1091 0.5146 83 GLN H CG 4064 C CD . GLN C 86 ? 1.3330 1.2702 1.2988 -0.1861 0.1262 0.5241 83 GLN H CD 4065 O OE1 . GLN C 86 ? 1.4299 1.2840 1.3661 -0.1812 0.1425 0.5672 83 GLN H OE1 4066 N NE2 . GLN C 86 ? 1.3449 1.2644 1.2987 -0.2295 0.1231 0.4848 83 GLN H NE2 4067 N N . GLN C 87 ? 0.9726 1.3660 1.0505 -0.2030 0.0714 0.4274 84 GLN H N 4068 C CA . GLN C 87 ? 0.9320 1.4127 1.0275 -0.2132 0.0647 0.3949 84 GLN H CA 4069 C C . GLN C 87 ? 0.9359 1.3669 1.0317 -0.2098 0.0632 0.3602 84 GLN H C 4070 O O . GLN C 87 ? 0.9993 1.3277 1.0731 -0.2209 0.0687 0.3603 84 GLN H O 4071 C CB . GLN C 87 ? 0.9605 1.5048 1.0513 -0.2634 0.0658 0.4103 84 GLN H CB 4072 C CG . GLN C 87 ? 1.0122 1.5947 1.0954 -0.2737 0.0699 0.4511 84 GLN H CG 4073 C CD . GLN C 87 ? 0.9657 1.6308 1.0623 -0.2327 0.0666 0.4486 84 GLN H CD 4074 O OE1 . GLN C 87 ? 0.9727 1.6616 1.0596 -0.2316 0.0685 0.4813 84 GLN H OE1 4075 N NE2 . GLN C 87 ? 0.8963 1.6029 1.0097 -0.2013 0.0626 0.4102 84 GLN H NE2 4076 N N . GLU C 88 ? 0.8825 1.3849 0.9985 -0.1915 0.0580 0.3311 85 GLU H N 4077 C CA . GLU C 88 ? 0.8702 1.3422 0.9897 -0.1762 0.0560 0.2988 85 GLU H CA 4078 C C . GLU C 88 ? 0.8602 1.2487 0.9775 -0.1400 0.0595 0.2934 85 GLU H C 4079 O O . GLU C 88 ? 0.8865 1.2122 0.9948 -0.1355 0.0617 0.2758 85 GLU H O 4080 C CB . GLU C 88 ? 0.9240 1.3711 1.0269 -0.2204 0.0541 0.2903 85 GLU H CB 4081 C CG . GLU C 88 ? 0.9012 1.3887 1.0158 -0.2048 0.0490 0.2596 85 GLU H CG 4082 C CD . GLU C 88 ? 0.9889 1.4831 1.0878 -0.2532 0.0431 0.2508 85 GLU H CD 4083 O OE1 . GLU C 88 ? 1.0128 1.5877 1.1170 -0.2933 0.0388 0.2635 85 GLU H OE1 4084 O OE2 . GLU C 88 ? 1.0304 1.4573 1.1107 -0.2531 0.0427 0.2309 85 GLU H OE2 4085 N N . ASP C 89 ? 0.8303 1.2282 0.9553 -0.1154 0.0601 0.3106 86 ASP H N 4086 C CA . ASP C 89 ? 0.7859 1.1658 0.9239 -0.0746 0.0601 0.2999 86 ASP H CA 4087 C C . ASP C 89 ? 0.7045 1.1650 0.8562 -0.0608 0.0558 0.2766 86 ASP H C 4088 O O . ASP C 89 ? 0.6726 1.1331 0.8335 -0.0346 0.0555 0.2583 86 ASP H O 4089 C CB . ASP C 89 ? 0.8149 1.1801 0.9544 -0.0570 0.0612 0.3316 86 ASP H CB 4090 C CG . ASP C 89 ? 0.8888 1.1533 1.0132 -0.0511 0.0716 0.3515 86 ASP H CG 4091 O OD1 . ASP C 89 ? 0.9186 1.1180 1.0263 -0.0649 0.0776 0.3347 86 ASP H OD1 4092 O OD2 . ASP C 89 ? 0.9354 1.1864 1.0612 -0.0307 0.0750 0.3843 86 ASP H OD2 4093 N N . THR C 90 ? 0.6742 1.2004 0.8237 -0.0804 0.0551 0.2792 87 THR H N 4094 C CA . THR C 90 ? 0.6147 1.2128 0.7699 -0.0660 0.0567 0.2575 87 THR H CA 4095 C C . THR C 90 ? 0.5847 1.1652 0.7449 -0.0526 0.0584 0.2317 87 THR H C 4096 O O . THR C 90 ? 0.5990 1.1795 0.7583 -0.0727 0.0568 0.2318 87 THR H O 4097 C CB . THR C 90 ? 0.6172 1.2952 0.7711 -0.0883 0.0589 0.2695 87 THR H CB 4098 O OG1 . THR C 90 ? 0.6423 1.3331 0.7880 -0.1067 0.0579 0.2998 87 THR H OG1 4099 C CG2 . THR C 90 ? 0.5817 1.3288 0.7366 -0.0615 0.0660 0.2485 87 THR H CG2 4100 N N . ALA C 91 ? 0.5456 1.1131 0.7081 -0.0219 0.0614 0.2106 88 ALA H N 4101 C CA . ALA C 91 ? 0.5177 1.0630 0.6825 -0.0040 0.0647 0.1894 88 ALA H CA 4102 C C . ALA C 91 ? 0.5013 1.0340 0.6632 0.0261 0.0711 0.1687 88 ALA H C 4103 O O . ALA C 91 ? 0.4988 1.0344 0.6561 0.0285 0.0709 0.1677 88 ALA H O 4104 C CB . ALA C 91 ? 0.5312 1.0058 0.6949 -0.0129 0.0617 0.1918 88 ALA H CB 4105 N N . MET C 92 ? 0.4947 1.0153 0.6557 0.0458 0.0770 0.1530 89 MET H N 4106 C CA . MET C 92 ? 0.5018 0.9842 0.6561 0.0701 0.0851 0.1342 89 MET H CA 4107 C C . MET C 92 ? 0.5051 0.9299 0.6676 0.0655 0.0807 0.1367 89 MET H C 4108 O O . MET C 92 ? 0.5119 0.9119 0.6786 0.0596 0.0777 0.1426 89 MET H O 4109 C CB . MET C 92 ? 0.5142 0.9998 0.6624 0.0971 0.0956 0.1229 89 MET H CB 4110 C CG . MET C 92 ? 0.5494 1.0809 0.6850 0.1192 0.1083 0.1168 89 MET H CG 4111 S SD . MET C 92 ? 0.6242 1.1141 0.7313 0.1318 0.1219 0.0938 89 MET H SD 4112 C CE . MET C 92 ? 0.6154 1.0246 0.7248 0.1272 0.1196 0.0853 89 MET H CE 4113 N N . TYR C 93 ? 0.5037 0.9115 0.6660 0.0670 0.0814 0.1317 90 TYR H N 4114 C CA . TYR C 93 ? 0.4901 0.8590 0.6647 0.0668 0.0795 0.1371 90 TYR H CA 4115 C C . TYR C 93 ? 0.4910 0.8294 0.6609 0.0790 0.0884 0.1196 90 TYR H C 4116 O O . TYR C 93 ? 0.5077 0.8497 0.6646 0.0769 0.0925 0.1055 90 TYR H O 4117 C CB . TYR C 93 ? 0.4962 0.8856 0.6803 0.0546 0.0711 0.1543 90 TYR H CB 4118 C CG . TYR C 93 ? 0.4872 0.8817 0.6753 0.0448 0.0656 0.1791 90 TYR H CG 4119 C CD1 . TYR C 93 ? 0.4913 0.9264 0.6708 0.0314 0.0619 0.1869 90 TYR H CD1 4120 C CD2 . TYR C 93 ? 0.4753 0.8276 0.6709 0.0492 0.0672 0.1952 90 TYR H CD2 4121 C CE1 . TYR C 93 ? 0.5032 0.9345 0.6822 0.0175 0.0587 0.2116 90 TYR H CE1 4122 C CE2 . TYR C 93 ? 0.5143 0.8516 0.7045 0.0389 0.0660 0.2175 90 TYR H CE2 4123 C CZ . TYR C 93 ? 0.5382 0.9139 0.7204 0.0204 0.0611 0.2264 90 TYR H CZ 4124 O OH . TYR C 93 ? 0.6007 0.9538 0.7737 0.0052 0.0616 0.2509 90 TYR H OH 4125 N N . PHE C 94 ? 0.4931 0.7964 0.6682 0.0890 0.0928 0.1199 91 PHE H N 4126 C CA . PHE C 94 ? 0.4956 0.7652 0.6661 0.0998 0.1032 0.1082 91 PHE H CA 4127 C C . PHE C 94 ? 0.4970 0.7507 0.6857 0.0975 0.1035 0.1180 91 PHE H C 4128 O O . PHE C 94 ? 0.5034 0.7501 0.7016 0.1004 0.1011 0.1311 91 PHE H O 4129 C CB . PHE C 94 ? 0.4978 0.7494 0.6575 0.1179 0.1104 0.1038 91 PHE H CB 4130 C CG . PHE C 94 ? 0.4808 0.7610 0.6269 0.1284 0.1127 0.0992 91 PHE H CG 4131 C CD1 . PHE C 94 ? 0.5053 0.7751 0.6330 0.1430 0.1250 0.0871 91 PHE H CD1 4132 C CD2 . PHE C 94 ? 0.4678 0.7840 0.6168 0.1241 0.1049 0.1074 91 PHE H CD2 4133 C CE1 . PHE C 94 ? 0.5218 0.8225 0.6375 0.1621 0.1314 0.0859 91 PHE H CE1 4134 C CE2 . PHE C 94 ? 0.4966 0.8576 0.6389 0.1361 0.1078 0.1075 91 PHE H CE2 4135 C CZ . PHE C 94 ? 0.5287 0.8847 0.6559 0.1600 0.1221 0.0981 91 PHE H CZ 4136 N N . CYS C 95 ? 0.5208 0.7663 0.7109 0.0919 0.1088 0.1115 92 CYS H N 4137 C CA . CYS C 95 ? 0.5264 0.7647 0.7356 0.0930 0.1133 0.1213 92 CYS H CA 4138 C C . CYS C 95 ? 0.5337 0.7307 0.7297 0.1034 0.1274 0.1117 92 CYS H C 4139 O O . CYS C 95 ? 0.5439 0.7179 0.7176 0.1025 0.1346 0.0974 92 CYS H O 4140 C CB . CYS C 95 ? 0.5306 0.8075 0.7561 0.0718 0.1073 0.1270 92 CYS H CB 4141 S SG . CYS C 95 ? 0.6270 0.8920 0.8270 0.0442 0.1115 0.1023 92 CYS H SG 4142 N N . ALA C 96 ? 0.5306 0.7134 0.7353 0.1166 0.1339 0.1208 93 ALA H N 4143 C CA . ALA C 96 ? 0.5528 0.7007 0.7436 0.1282 0.1478 0.1165 93 ALA H CA 4144 C C . ALA C 96 ? 0.5529 0.7022 0.7615 0.1298 0.1575 0.1279 93 ALA H C 4145 O O . ALA C 96 ? 0.5525 0.7217 0.7808 0.1360 0.1561 0.1405 93 ALA H O 4146 C CB . ALA C 96 ? 0.5573 0.6907 0.7294 0.1463 0.1478 0.1139 93 ALA H CB 4147 N N . ARG C 97 ? 0.5661 0.6925 0.7659 0.1268 0.1703 0.1258 94 ARG H N 4148 C CA . ARG C 97 ? 0.5755 0.7090 0.7914 0.1279 0.1827 0.1384 94 ARG H CA 4149 C C . ARG C 97 ? 0.5616 0.6772 0.7662 0.1549 0.1913 0.1425 94 ARG H C 4150 O O . ARG C 97 ? 0.5622 0.6515 0.7395 0.1676 0.1912 0.1348 94 ARG H O 4151 C CB . ARG C 97 ? 0.6164 0.7256 0.8216 0.1102 0.1955 0.1366 94 ARG H CB 4152 C CG . ARG C 97 ? 0.6579 0.7937 0.8873 0.1024 0.2076 0.1529 94 ARG H CG 4153 C CD . ARG C 97 ? 0.7513 0.8582 0.9670 0.0748 0.2204 0.1518 94 ARG H CD 4154 N NE . ARG C 97 ? 0.8103 0.8834 1.0093 0.0916 0.2397 0.1614 94 ARG H NE 4155 C CZ . ARG C 97 ? 0.9143 0.9332 1.0849 0.0791 0.2548 0.1616 94 ARG H CZ 4156 N NH1 . ARG C 97 ? 0.9900 0.9718 1.1411 0.0491 0.2544 0.1482 94 ARG H NH1 4157 N NH2 . ARG C 97 ? 0.9652 0.9606 1.1209 0.0969 0.2723 0.1751 94 ARG H NH2 4158 N N . HIS C 98 ? 0.5475 0.6835 0.7718 0.1640 0.1996 0.1552 95 HIS H N 4159 C CA . HIS C 98 ? 0.5624 0.6775 0.7697 0.1887 0.2117 0.1565 95 HIS H CA 4160 C C . HIS C 98 ? 0.5826 0.6960 0.7878 0.1920 0.2305 0.1649 95 HIS H C 4161 O O . HIS C 98 ? 0.6067 0.7553 0.8409 0.1868 0.2404 0.1797 95 HIS H O 4162 C CB . HIS C 98 ? 0.5680 0.6959 0.7902 0.2053 0.2152 0.1656 95 HIS H CB 4163 C CG . HIS C 98 ? 0.6209 0.7168 0.8163 0.2301 0.2318 0.1626 95 HIS H CG 4164 N ND1 . HIS C 98 ? 0.6447 0.6970 0.7992 0.2336 0.2274 0.1456 95 HIS H ND1 4165 C CD2 . HIS C 98 ? 0.6718 0.7755 0.8716 0.2506 0.2536 0.1730 95 HIS H CD2 4166 C CE1 . HIS C 98 ? 0.7157 0.7420 0.8445 0.2533 0.2456 0.1423 95 HIS H CE1 4167 N NE2 . HIS C 98 ? 0.7180 0.7738 0.8738 0.2676 0.2632 0.1592 95 HIS H NE2 4168 N N . PHE C 99 ? 0.5851 0.6657 0.7565 0.2004 0.2354 0.1588 96 PHE H N 4169 C CA . PHE C 99 ? 0.5924 0.6657 0.7532 0.2064 0.2547 0.1691 96 PHE H CA 4170 C C . PHE C 99 ? 0.6056 0.6659 0.7364 0.2309 0.2627 0.1647 96 PHE H C 4171 O O . PHE C 99 ? 0.6178 0.6603 0.7184 0.2369 0.2521 0.1520 96 PHE H O 4172 C CB . PHE C 99 ? 0.6069 0.6498 0.7461 0.1990 0.2569 0.1699 96 PHE H CB 4173 C CG . PHE C 99 ? 0.6390 0.6737 0.7750 0.1937 0.2779 0.1862 96 PHE H CG 4174 C CD1 . PHE C 99 ? 0.6369 0.6983 0.8051 0.1686 0.2858 0.1967 96 PHE H CD1 4175 C CD2 . PHE C 99 ? 0.6920 0.6997 0.7927 0.2112 0.2896 0.1941 96 PHE H CD2 4176 C CE1 . PHE C 99 ? 0.6846 0.7409 0.8500 0.1572 0.3063 0.2138 96 PHE H CE1 4177 C CE2 . PHE C 99 ? 0.7183 0.7154 0.8136 0.2048 0.3110 0.2129 96 PHE H CE2 4178 C CZ . PHE C 99 ? 0.7264 0.7451 0.8541 0.1758 0.3200 0.2222 96 PHE H CZ 4179 N N . TYR C 100 ? 0.6207 0.6958 0.7587 0.2429 0.2821 0.1750 97 TYR H N 4180 C CA . TYR C 100 ? 0.6506 0.7093 0.7538 0.2665 0.2949 0.1682 97 TYR H CA 4181 C C . TYR C 100 ? 0.6574 0.6878 0.7350 0.2708 0.2820 0.1477 97 TYR H C 4182 O O . TYR C 100 ? 0.6725 0.6976 0.7607 0.2802 0.2860 0.1464 97 TYR H O 4183 C CB . TYR C 100 ? 0.6722 0.7184 0.7379 0.2719 0.3036 0.1712 97 TYR H CB 4184 C CG . TYR C 100 ? 0.6656 0.7335 0.7484 0.2714 0.3261 0.1936 97 TYR H CG 4185 C CD1 . TYR C 100 ? 0.6178 0.6907 0.7247 0.2485 0.3256 0.2077 97 TYR H CD1 4186 C CD2 . TYR C 100 ? 0.6768 0.7583 0.7488 0.2910 0.3500 0.1999 97 TYR H CD2 4187 C CE1 . TYR C 100 ? 0.6519 0.7448 0.7737 0.2393 0.3464 0.2293 97 TYR H CE1 4188 C CE2 . TYR C 100 ? 0.6999 0.8117 0.7909 0.2874 0.3716 0.2234 97 TYR H CE2 4189 C CZ . TYR C 100 ? 0.6884 0.8072 0.8057 0.2585 0.3689 0.2390 97 TYR H CZ 4190 O OH . TYR C 100 ? 0.6940 0.8426 0.8287 0.2465 0.3908 0.2636 97 TYR H OH 4191 N N . THR C 101 ? 0.6570 0.6709 0.6995 0.2638 0.2679 0.1346 98 THR H N 4192 C CA . THR C 101 ? 0.6704 0.6587 0.6814 0.2584 0.2559 0.1141 98 THR H CA 4193 C C . THR C 101 ? 0.6615 0.6623 0.6757 0.2395 0.2307 0.1089 98 THR H C 4194 O O . THR C 101 ? 0.6933 0.6846 0.6783 0.2271 0.2178 0.0936 98 THR H O 4195 C CB . THR C 101 ? 0.7192 0.6862 0.6718 0.2647 0.2643 0.0995 98 THR H CB 4196 O OG1 . THR C 101 ? 0.6981 0.6899 0.6327 0.2625 0.2569 0.1050 98 THR H OG1 4197 C CG2 . THR C 101 ? 0.7317 0.6872 0.6766 0.2883 0.2936 0.1040 98 THR H CG2 4198 N N . TYR C 102 ? 0.6353 0.6577 0.6821 0.2353 0.2253 0.1212 99 TYR H N 4199 C CA . TYR C 102 ? 0.6154 0.6534 0.6667 0.2239 0.2060 0.1181 99 TYR H CA 4200 C C . TYR C 102 ? 0.5919 0.6399 0.6802 0.2157 0.2024 0.1252 99 TYR H C 4201 O O . TYR C 102 ? 0.5832 0.6329 0.6969 0.2136 0.2121 0.1336 99 TYR H O 4202 C CB . TYR C 102 ? 0.6327 0.6839 0.6582 0.2330 0.2042 0.1227 99 TYR H CB 4203 C CG . TYR C 102 ? 0.6577 0.6993 0.6830 0.2469 0.2225 0.1389 99 TYR H CG 4204 C CD1 . TYR C 102 ? 0.6918 0.7261 0.6967 0.2569 0.2381 0.1429 99 TYR H CD1 4205 C CD2 . TYR C 102 ? 0.6807 0.7142 0.7201 0.2483 0.2265 0.1497 99 TYR H CD2 4206 C CE1 . TYR C 102 ? 0.7243 0.7509 0.7280 0.2662 0.2562 0.1612 99 TYR H CE1 4207 C CE2 . TYR C 102 ? 0.7206 0.7337 0.7543 0.2556 0.2454 0.1658 99 TYR H CE2 4208 C CZ . TYR C 102 ? 0.7283 0.7418 0.7467 0.2636 0.2596 0.1734 99 TYR H CZ 4209 O OH . TYR C 102 ? 0.7515 0.7460 0.7636 0.2678 0.2797 0.1928 99 TYR H OH 4210 N N . PHE C 103 ? 0.5936 0.6549 0.6820 0.2098 0.1886 0.1216 100 PHE H N 4211 C CA . PHE C 103 ? 0.5902 0.6591 0.7031 0.1990 0.1833 0.1223 100 PHE H CA 4212 C C . PHE C 103 ? 0.6048 0.6612 0.7090 0.2062 0.1913 0.1265 100 PHE H C 4213 O O . PHE C 103 ? 0.6081 0.6727 0.7009 0.2142 0.1860 0.1245 100 PHE H O 4214 C CB . PHE C 103 ? 0.5878 0.6776 0.7029 0.1888 0.1659 0.1151 100 PHE H CB 4215 C CG . PHE C 103 ? 0.6309 0.7168 0.7480 0.1795 0.1600 0.1121 100 PHE H CG 4216 C CD1 . PHE C 103 ? 0.6750 0.7400 0.7681 0.1838 0.1654 0.1074 100 PHE H CD1 4217 C CD2 . PHE C 103 ? 0.6571 0.7540 0.7931 0.1670 0.1510 0.1141 100 PHE H CD2 4218 C CE1 . PHE C 103 ? 0.7120 0.7536 0.7969 0.1767 0.1647 0.1033 100 PHE H CE1 4219 C CE2 . PHE C 103 ? 0.7179 0.7982 0.8504 0.1618 0.1492 0.1153 100 PHE H CE2 4220 C CZ . PHE C 103 ? 0.7383 0.7843 0.8436 0.1670 0.1574 0.1090 100 PHE H CZ 4221 N N . ASP C 104 ? 0.6289 0.6637 0.7367 0.2039 0.2066 0.1341 101 ASP H N 4222 C CA . ASP C 104 ? 0.6610 0.6622 0.7490 0.2121 0.2204 0.1404 101 ASP H CA 4223 C C . ASP C 104 ? 0.6595 0.6448 0.7449 0.2037 0.2184 0.1312 101 ASP H C 4224 O O . ASP C 104 ? 0.6832 0.6487 0.7448 0.2240 0.2245 0.1328 101 ASP H O 4225 C CB . ASP C 104 ? 0.6890 0.6665 0.7780 0.2042 0.2392 0.1520 101 ASP H CB 4226 C CG . ASP C 104 ? 0.6888 0.6780 0.8078 0.1728 0.2390 0.1498 101 ASP H CG 4227 O OD1 . ASP C 104 ? 0.6683 0.6951 0.8126 0.1655 0.2255 0.1448 101 ASP H OD1 4228 O OD2 . ASP C 104 ? 0.7329 0.6962 0.8487 0.1539 0.2528 0.1554 101 ASP H OD2 4229 N N . VAL C 105 ? 0.6366 0.6350 0.7439 0.1770 0.2108 0.1227 102 VAL H N 4230 C CA . VAL C 105 ? 0.6533 0.6368 0.7520 0.1636 0.2092 0.1099 102 VAL H CA 4231 C C . VAL C 105 ? 0.6204 0.6496 0.7370 0.1544 0.1898 0.1017 102 VAL H C 4232 O O . VAL C 105 ? 0.5904 0.6557 0.7341 0.1428 0.1787 0.1062 102 VAL H O 4233 C CB . VAL C 105 ? 0.6900 0.6453 0.7880 0.1302 0.2190 0.1062 102 VAL H CB 4234 C CG1 . VAL C 105 ? 0.7175 0.6403 0.7897 0.1158 0.2214 0.0876 102 VAL H CG1 4235 C CG2 . VAL C 105 ? 0.7081 0.6166 0.7885 0.1346 0.2400 0.1182 102 VAL H CG2 4236 N N . TRP C 106 ? 0.6314 0.6569 0.7302 0.1633 0.1887 0.0924 103 TRP H N 4237 C CA . TRP C 106 ? 0.5954 0.6650 0.7059 0.1558 0.1724 0.0868 103 TRP H CA 4238 C C . TRP C 106 ? 0.6147 0.6737 0.7103 0.1385 0.1743 0.0714 103 TRP H C 4239 O O . TRP C 106 ? 0.6560 0.6620 0.7208 0.1403 0.1909 0.0612 103 TRP H O 4240 C CB . TRP C 106 ? 0.5848 0.6809 0.6882 0.1812 0.1683 0.0906 103 TRP H CB 4241 C CG . TRP C 106 ? 0.5679 0.6837 0.6803 0.1882 0.1614 0.1009 103 TRP H CG 4242 C CD1 . TRP C 106 ? 0.6004 0.6955 0.7038 0.2018 0.1703 0.1083 103 TRP H CD1 4243 C CD2 . TRP C 106 ? 0.5724 0.7265 0.6964 0.1787 0.1457 0.1033 103 TRP H CD2 4244 N NE1 . TRP C 106 ? 0.6183 0.7376 0.7243 0.2009 0.1605 0.1117 103 TRP H NE1 4245 C CE2 . TRP C 106 ? 0.5996 0.7495 0.7168 0.1850 0.1459 0.1080 103 TRP H CE2 4246 C CE3 . TRP C 106 ? 0.5288 0.7158 0.6635 0.1629 0.1328 0.1022 103 TRP H CE3 4247 C CZ2 . TRP C 106 ? 0.5879 0.7560 0.7039 0.1726 0.1343 0.1076 103 TRP H CZ2 4248 C CZ3 . TRP C 106 ? 0.5073 0.7122 0.6447 0.1515 0.1218 0.1062 103 TRP H CZ3 4249 C CH2 . TRP C 106 ? 0.5417 0.7327 0.6676 0.1547 0.1228 0.1068 103 TRP H CH2 4250 N N . GLY C 107 ? 0.5877 0.6924 0.6996 0.1214 0.1584 0.0699 104 GLY H N 4251 C CA . GLY C 107 ? 0.6111 0.7196 0.7048 0.1047 0.1572 0.0543 104 GLY H CA 4252 C C . GLY C 107 ? 0.6313 0.7401 0.7012 0.1310 0.1645 0.0474 104 GLY H C 4253 O O . GLY C 107 ? 0.6062 0.7332 0.6827 0.1577 0.1647 0.0585 104 GLY H O 4254 N N . GLN C 108 ? 0.6758 0.7691 0.7153 0.1225 0.1717 0.0287 105 GLN H N 4255 C CA . GLN C 108 ? 0.7043 0.8046 0.7191 0.1510 0.1825 0.0218 105 GLN H CA 4256 C C . GLN C 108 ? 0.6410 0.8227 0.6842 0.1511 0.1647 0.0356 105 GLN H C 4257 O O . GLN C 108 ? 0.6329 0.8474 0.6734 0.1777 0.1698 0.0412 105 GLN H O 4258 C CB . GLN C 108 ? 0.7845 0.8438 0.7518 0.1391 0.1965 -0.0055 105 GLN H CB 4259 C CG . GLN C 108 ? 0.8242 0.9219 0.7958 0.0935 0.1781 -0.0146 105 GLN H CG 4260 C CD . GLN C 108 ? 0.9721 1.0443 0.8897 0.0842 0.1908 -0.0438 105 GLN H CD 4261 O OE1 . GLN C 108 ? 1.0670 1.0985 0.9528 0.0470 0.1933 -0.0659 105 GLN H OE1 4262 N NE2 . GLN C 108 ? 1.0183 1.1173 0.9222 0.1156 0.1999 -0.0449 105 GLN H NE2 4263 N N . GLY C 109 ? 0.6049 0.8208 0.6752 0.1210 0.1450 0.0440 106 GLY H N 4264 C CA . GLY C 109 ? 0.5634 0.8432 0.6577 0.1142 0.1287 0.0600 106 GLY H CA 4265 C C . GLY C 109 ? 0.5783 0.8939 0.6594 0.0976 0.1239 0.0536 106 GLY H C 4266 O O . GLY C 109 ? 0.6460 0.9387 0.6921 0.0967 0.1358 0.0321 106 GLY H O 4267 N N . ILE C 110 ? 0.5380 0.9040 0.6412 0.0836 0.1082 0.0724 107 ILE H N 4268 C CA . ILE C 110 ? 0.5468 0.9580 0.6381 0.0682 0.1025 0.0724 107 ILE H CA 4269 C C . ILE C 110 ? 0.5142 0.9780 0.6212 0.0674 0.0952 0.0944 107 ILE H C 4270 O O . ILE C 110 ? 0.4769 0.9440 0.6090 0.0594 0.0847 0.1158 107 ILE H O 4271 C CB . ILE C 110 ? 0.5546 0.9789 0.6527 0.0405 0.0888 0.0774 107 ILE H CB 4272 C CG1 . ILE C 110 ? 0.5873 1.0509 0.6566 0.0242 0.0865 0.0676 107 ILE H CG1 4273 C CG2 . ILE C 110 ? 0.4943 0.9400 0.6294 0.0356 0.0745 0.1095 107 ILE H CG2 4274 C CD1 . ILE C 110 ? 0.6105 1.1013 0.6813 -0.0057 0.0718 0.0710 107 ILE H CD1 4275 N N . GLN C 111 ? 0.5293 1.0299 0.6168 0.0749 0.1035 0.0884 108 GLN H N 4276 C CA . GLN C 111 ? 0.5172 1.0780 0.6172 0.0684 0.0983 0.1101 108 GLN H CA 4277 C C . GLN C 111 ? 0.5128 1.1051 0.6144 0.0426 0.0852 0.1269 108 GLN H C 4278 O O . GLN C 111 ? 0.5472 1.1483 0.6264 0.0351 0.0851 0.1148 108 GLN H O 4279 C CB . GLN C 111 ? 0.5389 1.1413 0.6203 0.0902 0.1149 0.1013 108 GLN H CB 4280 C CG . GLN C 111 ? 0.5633 1.2344 0.6654 0.0829 0.1110 0.1260 108 GLN H CG 4281 C CD . GLN C 111 ? 0.6702 1.4001 0.7592 0.1095 0.1295 0.1216 108 GLN H CD 4282 O OE1 . GLN C 111 ? 0.7646 1.4680 0.8256 0.1413 0.1486 0.0987 108 GLN H OE1 4283 N NE2 . GLN C 111 ? 0.7121 1.5203 0.8190 0.0970 0.1265 0.1447 108 GLN H NE2 4284 N N . VAL C 112 ? 0.4832 1.0890 0.6070 0.0277 0.0747 0.1555 109 VAL H N 4285 C CA . VAL C 112 ? 0.4810 1.1138 0.6069 0.0079 0.0637 0.1807 109 VAL H CA 4286 C C . VAL C 112 ? 0.4835 1.1532 0.6149 -0.0075 0.0624 0.2076 109 VAL H C 4287 O O . VAL C 112 ? 0.4838 1.1253 0.6293 -0.0175 0.0593 0.2242 109 VAL H O 4288 C CB . VAL C 112 ? 0.4670 1.0596 0.6114 0.0049 0.0542 0.1965 109 VAL H CB 4289 C CG1 . VAL C 112 ? 0.4719 1.0942 0.6190 -0.0082 0.0448 0.2311 109 VAL H CG1 4290 C CG2 . VAL C 112 ? 0.4679 1.0390 0.6091 0.0118 0.0543 0.1739 109 VAL H CG2 4291 N N . THR C 113 ? 0.4871 1.2175 0.6022 -0.0126 0.0663 0.2108 110 THR H N 4292 C CA . THR C 113 ? 0.4942 1.2710 0.6127 -0.0326 0.0664 0.2394 110 THR H CA 4293 C C . THR C 113 ? 0.5050 1.2787 0.6233 -0.0507 0.0565 0.2743 110 THR H C 4294 O O . THR C 113 ? 0.5052 1.2936 0.6122 -0.0473 0.0510 0.2762 110 THR H O 4295 C CB . THR C 113 ? 0.5054 1.3588 0.6057 -0.0269 0.0784 0.2314 110 THR H CB 4296 O OG1 . THR C 113 ? 0.5080 1.3646 0.6073 -0.0007 0.0914 0.2038 110 THR H OG1 4297 C CG2 . THR C 113 ? 0.4988 1.4089 0.6061 -0.0526 0.0791 0.2646 110 THR H CG2 4298 N N . VAL C 114 ? 0.5257 1.2792 0.6532 -0.0712 0.0549 0.3032 111 VAL H N 4299 C CA . VAL C 114 ? 0.5698 1.3158 0.6924 -0.0864 0.0503 0.3444 111 VAL H CA 4300 C C . VAL C 114 ? 0.6008 1.4034 0.7145 -0.1134 0.0554 0.3692 111 VAL H C 4301 O O . VAL C 114 ? 0.6185 1.4072 0.7365 -0.1387 0.0589 0.3799 111 VAL H O 4302 C CB . VAL C 114 ? 0.5948 1.2507 0.7251 -0.0893 0.0492 0.3624 111 VAL H CB 4303 C CG1 . VAL C 114 ? 0.6422 1.2826 0.7627 -0.0985 0.0491 0.4105 111 VAL H CG1 4304 C CG2 . VAL C 114 ? 0.5623 1.1745 0.7039 -0.0614 0.0460 0.3419 111 VAL H CG2 4305 N N . SER C 115 ? 0.6138 1.4850 0.7123 -0.1117 0.0559 0.3776 112 SER H N 4306 C CA . SER C 115 ? 0.6457 1.5853 0.7343 -0.1354 0.0628 0.4025 112 SER H CA 4307 C C . SER C 115 ? 0.6843 1.6637 0.7529 -0.1390 0.0596 0.4355 112 SER H C 4308 O O . SER C 115 ? 0.6803 1.6605 0.7405 -0.1210 0.0512 0.4312 112 SER H O 4309 C CB . SER C 115 ? 0.6280 1.6429 0.7139 -0.1255 0.0737 0.3719 112 SER H CB 4310 O OG . SER C 115 ? 0.6512 1.7415 0.7334 -0.1496 0.0824 0.3979 112 SER H OG 4311 N N . SER C 116 ? 0.7269 1.7475 0.7877 -0.1659 0.0661 0.4707 113 SER H N 4312 C CA . SER C 116 ? 0.7752 1.8467 0.8136 -0.1717 0.0651 0.5081 113 SER H CA 4313 C C . SER C 116 ? 0.7706 1.9308 0.7871 -0.1560 0.0684 0.4784 113 SER H C 4314 O O . SER C 116 ? 0.7883 1.9833 0.7819 -0.1482 0.0614 0.4866 113 SER H O 4315 C CB . SER C 116 ? 0.8222 1.9127 0.8559 -0.2091 0.0743 0.5541 113 SER H CB 4316 O OG . SER C 116 ? 0.8530 1.8485 0.8982 -0.2304 0.0751 0.5711 113 SER H OG 4317 N N . ALA C 117 ? 1.2053 1.3097 0.8702 -0.0721 -0.0074 0.0961 114 ALA H N 4318 C CA . ALA C 117 ? 1.1799 1.3212 0.8406 -0.0934 0.0013 0.1020 114 ALA H CA 4319 C C . ALA C 117 ? 1.1584 1.3541 0.8069 -0.0777 -0.0143 0.1057 114 ALA H C 4320 O O . ALA C 117 ? 1.1252 1.3630 0.7970 -0.0616 -0.0266 0.0945 114 ALA H O 4321 C CB . ALA C 117 ? 1.1252 1.2921 0.8260 -0.1211 0.0080 0.0807 114 ALA H CB 4322 N N . THR C 118 ? 1.1972 1.3875 0.8083 -0.0829 -0.0125 0.1220 115 THR H N 4323 C CA . THR C 118 ? 1.1880 1.4252 0.7882 -0.0746 -0.0334 0.1233 115 THR H CA 4324 C C . THR C 118 ? 1.1169 1.4094 0.7533 -0.0946 -0.0317 0.1030 115 THR H C 4325 O O . THR C 118 ? 1.0965 1.3843 0.7504 -0.1166 -0.0129 0.0920 115 THR H O 4326 C CB . THR C 118 ? 1.2565 1.4580 0.7879 -0.0743 -0.0351 0.1430 115 THR H CB 4327 O OG1 . THR C 118 ? 1.2622 1.5060 0.7864 -0.0661 -0.0658 0.1399 115 THR H OG1 4328 C CG2 . THR C 118 ? 1.2607 1.4375 0.7726 -0.1024 -0.0015 0.1423 115 THR H CG2 4329 N N . THR C 119 ? 1.0877 1.4319 0.7420 -0.0867 -0.0533 0.0990 116 THR H N 4330 C CA . THR C 119 ? 1.0351 1.4275 0.7217 -0.1051 -0.0534 0.0830 116 THR H CA 4331 C C . THR C 119 ? 1.0462 1.4252 0.6987 -0.1250 -0.0481 0.0812 116 THR H C 4332 O O . THR C 119 ? 1.1137 1.4654 0.7140 -0.1192 -0.0570 0.0923 116 THR H O 4333 C CB . THR C 119 ? 1.0119 1.4627 0.7374 -0.0941 -0.0761 0.0820 116 THR H CB 4334 O OG1 . THR C 119 ? 1.0421 1.5038 0.7970 -0.0693 -0.0752 0.0855 116 THR H OG1 4335 C CG2 . THR C 119 ? 0.9490 1.4417 0.7104 -0.1140 -0.0717 0.0680 116 THR H CG2 4336 N N . THR C 120 ? 0.9949 1.3883 0.6715 -0.1454 -0.0339 0.0666 117 THR H N 4337 C CA . THR C 120 ? 1.0019 1.3855 0.6544 -0.1623 -0.0242 0.0609 117 THR H CA 4338 C C . THR C 120 ? 0.9567 1.3828 0.6425 -0.1745 -0.0346 0.0454 117 THR H C 4339 O O . THR C 120 ? 0.9075 1.3574 0.6371 -0.1799 -0.0312 0.0368 117 THR H O 4340 C CB . THR C 120 ? 1.0090 1.3609 0.6662 -0.1761 0.0087 0.0596 117 THR H CB 4341 O OG1 . THR C 120 ? 1.0515 1.3595 0.6860 -0.1678 0.0208 0.0762 117 THR H OG1 4342 C CG2 . THR C 120 ? 1.0244 1.3623 0.6524 -0.1876 0.0266 0.0554 117 THR H CG2 4343 N N . ALA C 121 ? 0.9837 1.4109 0.6406 -0.1779 -0.0492 0.0419 118 ALA H N 4344 C CA . ALA C 121 ? 0.9504 1.4090 0.6356 -0.1912 -0.0614 0.0279 118 ALA H CA 4345 C C . ALA C 121 ? 0.9415 1.3857 0.6292 -0.2057 -0.0372 0.0155 118 ALA H C 4346 O O . ALA C 121 ? 0.9800 1.3889 0.6350 -0.2059 -0.0132 0.0171 118 ALA H O 4347 C CB . ALA C 121 ? 0.9880 1.4462 0.6426 -0.1896 -0.0929 0.0252 118 ALA H CB 4348 N N . PRO C 122 ? 0.9004 1.3711 0.6306 -0.2166 -0.0411 0.0051 119 PRO H N 4349 C CA . PRO C 122 ? 0.8902 1.3484 0.6291 -0.2268 -0.0227 -0.0071 119 PRO H CA 4350 C C . PRO C 122 ? 0.9280 1.3666 0.6290 -0.2308 -0.0261 -0.0181 119 PRO H C 4351 O O . PRO C 122 ? 0.9565 1.3995 0.6391 -0.2310 -0.0532 -0.0202 119 PRO H O 4352 C CB . PRO C 122 ? 0.8432 1.3295 0.6317 -0.2334 -0.0310 -0.0117 119 PRO H CB 4353 C CG . PRO C 122 ? 0.8373 1.3515 0.6361 -0.2316 -0.0526 -0.0045 119 PRO H CG 4354 C CD . PRO C 122 ? 0.8681 1.3784 0.6424 -0.2183 -0.0579 0.0066 119 PRO H CD 4355 N N . SER C 123 ? 0.9403 1.3561 0.6337 -0.2328 0.0011 -0.0264 120 SER H N 4356 C CA . SER C 123 ? 0.9762 1.3690 0.6369 -0.2345 0.0031 -0.0421 120 SER H CA 4357 C C . SER C 123 ? 0.9331 1.3448 0.6499 -0.2434 -0.0009 -0.0539 120 SER H C 4358 O O . SER C 123 ? 0.9112 1.3365 0.6784 -0.2451 0.0133 -0.0529 120 SER H O 4359 C CB . SER C 123 ? 1.0317 1.3859 0.6501 -0.2273 0.0434 -0.0431 120 SER H CB 4360 O OG . SER C 123 ? 1.0924 1.4207 0.6517 -0.2181 0.0491 -0.0274 120 SER H OG 4361 N N . VAL C 124 ? 0.9358 1.3445 0.6443 -0.2492 -0.0250 -0.0647 121 VAL H N 4362 C CA . VAL C 124 ? 0.8962 1.3148 0.6510 -0.2573 -0.0323 -0.0730 121 VAL H CA 4363 C C . VAL C 124 ? 0.9323 1.3167 0.6667 -0.2539 -0.0188 -0.0928 121 VAL H C 4364 O O . VAL C 124 ? 0.9984 1.3512 0.6787 -0.2524 -0.0291 -0.1057 121 VAL H O 4365 C CB . VAL C 124 ? 0.8806 1.3181 0.6543 -0.2687 -0.0658 -0.0692 121 VAL H CB 4366 C CG1 . VAL C 124 ? 0.8539 1.2892 0.6653 -0.2772 -0.0710 -0.0749 121 VAL H CG1 4367 C CG2 . VAL C 124 ? 0.8408 1.3143 0.6405 -0.2677 -0.0712 -0.0497 121 VAL H CG2 4368 N N . TYR C 125 ? 0.8924 1.2807 0.6707 -0.2504 0.0021 -0.0967 122 TYR H N 4369 C CA . TYR C 125 ? 0.9239 1.2840 0.6976 -0.2428 0.0211 -0.1154 122 TYR H CA 4370 C C . TYR C 125 ? 0.8921 1.2577 0.7192 -0.2463 0.0052 -0.1208 122 TYR H C 4371 O O . TYR C 125 ? 0.8404 1.2325 0.7170 -0.2494 -0.0042 -0.1091 122 TYR H O 4372 C CB . TYR C 125 ? 0.9327 1.2915 0.7211 -0.2320 0.0656 -0.1146 122 TYR H CB 4373 C CG . TYR C 125 ? 0.9579 1.3001 0.6843 -0.2276 0.0865 -0.1051 122 TYR H CG 4374 C CD1 . TYR C 125 ? 1.0581 1.3550 0.6947 -0.2189 0.0936 -0.1153 122 TYR H CD1 4375 C CD2 . TYR C 125 ? 0.9103 1.2731 0.6595 -0.2306 0.0964 -0.0862 122 TYR H CD2 4376 C CE1 . TYR C 125 ? 1.0998 1.3718 0.6661 -0.2120 0.1110 -0.1037 122 TYR H CE1 4377 C CE2 . TYR C 125 ? 0.9545 1.2945 0.6432 -0.2255 0.1155 -0.0742 122 TYR H CE2 4378 C CZ . TYR C 125 ? 1.0550 1.3493 0.6498 -0.2156 0.1233 -0.0814 122 TYR H CZ 4379 O OH . TYR C 125 ? 1.0690 1.3313 0.5903 -0.2078 0.1408 -0.0668 122 TYR H OH 4380 N N . PRO C 126 ? 0.9352 1.2674 0.7438 -0.2440 -0.0003 -0.1390 123 PRO H N 4381 C CA . PRO C 126 ? 0.9185 1.2460 0.7719 -0.2459 -0.0163 -0.1424 123 PRO H CA 4382 C C . PRO C 126 ? 0.9117 1.2404 0.8150 -0.2299 0.0076 -0.1503 123 PRO H C 4383 O O . PRO C 126 ? 0.9376 1.2616 0.8361 -0.2174 0.0430 -0.1592 123 PRO H O 4384 C CB . PRO C 126 ? 0.9810 1.2645 0.7908 -0.2497 -0.0332 -0.1609 123 PRO H CB 4385 C CG . PRO C 126 ? 1.0338 1.2894 0.7764 -0.2382 -0.0108 -0.1762 123 PRO H CG 4386 C CD . PRO C 126 ? 1.0090 1.2970 0.7437 -0.2385 0.0035 -0.1576 123 PRO H CD 4387 N N . LEU C 127 ? 0.8826 1.2169 0.8357 -0.2294 -0.0113 -0.1451 124 LEU H N 4388 C CA . LEU C 127 ? 0.8757 1.2147 0.8914 -0.2128 0.0006 -0.1522 124 LEU H CA 4389 C C . LEU C 127 ? 0.9048 1.2107 0.9337 -0.2068 -0.0189 -0.1603 124 LEU H C 4390 O O . LEU C 127 ? 0.8937 1.1916 0.9209 -0.2165 -0.0495 -0.1469 124 LEU H O 4391 C CB . LEU C 127 ? 0.8224 1.1983 0.8917 -0.2131 -0.0108 -0.1363 124 LEU H CB 4392 C CG . LEU C 127 ? 0.7907 1.1969 0.8779 -0.2140 0.0135 -0.1316 124 LEU H CG 4393 C CD1 . LEU C 127 ? 0.8081 1.2143 0.8288 -0.2262 0.0191 -0.1229 124 LEU H CD1 4394 C CD2 . LEU C 127 ? 0.7406 1.1721 0.8834 -0.2137 -0.0093 -0.1215 124 LEU H CD2 4395 N N . ALA C 128 ? 0.9550 1.2374 0.9945 -0.1891 0.0033 -0.1814 125 ALA H N 4396 C CA . ALA C 128 ? 1.0005 1.2451 1.0573 -0.1784 -0.0124 -0.1918 125 ALA H CA 4397 C C . ALA C 128 ? 1.0136 1.2703 1.1472 -0.1517 0.0076 -0.2025 125 ALA H C 4398 O O . ALA C 128 ? 1.0090 1.2933 1.1701 -0.1421 0.0455 -0.2083 125 ALA H O 4399 C CB . ALA C 128 ? 1.0706 1.2613 1.0606 -0.1801 -0.0097 -0.2128 125 ALA H CB 4400 N N . PRO C 129 ? 1.0402 1.2762 1.2144 -0.1391 -0.0171 -0.2030 126 PRO H N 4401 C CA . PRO C 129 ? 1.0583 1.3065 1.3175 -0.1101 -0.0024 -0.2148 126 PRO H CA 4402 C C . PRO C 129 ? 1.1172 1.3486 1.3686 -0.0909 0.0492 -0.2412 126 PRO H C 4403 O O . PRO C 129 ? 1.1686 1.3559 1.3340 -0.0963 0.0610 -0.2551 126 PRO H O 4404 C CB . PRO C 129 ? 1.0901 1.2975 1.3645 -0.0999 -0.0422 -0.2116 126 PRO H CB 4405 C CG . PRO C 129 ? 1.0739 1.2650 1.2880 -0.1271 -0.0782 -0.1885 126 PRO H CG 4406 C CD . PRO C 129 ? 1.0536 1.2529 1.2009 -0.1505 -0.0588 -0.1900 126 PRO H CD 4407 N N . ALA C 130 ? 1.1199 1.3853 1.4622 -0.0675 0.0792 -0.2484 127 ALA H N 4408 C CA . ALA C 130 ? 1.1845 1.4351 1.5280 -0.0430 0.1391 -0.2724 127 ALA H CA 4409 C C . ALA C 130 ? 1.1748 1.4733 1.6538 -0.0159 0.1678 -0.2765 127 ALA H C 4410 O O . ALA C 130 ? 1.1373 1.4935 1.6828 -0.0220 0.1916 -0.2653 127 ALA H O 4411 C CB . ALA C 130 ? 1.2031 1.4534 1.4660 -0.0562 0.1815 -0.2727 127 ALA H CB 4412 N N . ASN C 139 ? 1.6985 1.3137 1.7960 -0.0276 -0.3915 -0.0002 136 ASN H N 4413 C CA . ASN C 139 ? 1.6012 1.3139 1.7438 -0.0307 -0.3706 -0.0285 136 ASN H CA 4414 C C . ASN C 139 ? 1.5444 1.2955 1.6379 -0.0736 -0.3392 -0.0204 136 ASN H C 4415 O O . ASN C 139 ? 1.5743 1.2869 1.6227 -0.1041 -0.3243 -0.0053 136 ASN H O 4416 C CB . ASN C 139 ? 1.5805 1.3177 1.7964 -0.0149 -0.3465 -0.0730 136 ASN H CB 4417 C CG . ASN C 139 ? 1.4956 1.3276 1.7734 -0.0073 -0.3279 -0.0981 136 ASN H CG 4418 O OD1 . ASN C 139 ? 1.4620 1.3402 1.7370 -0.0117 -0.3411 -0.0848 136 ASN H OD1 4419 N ND2 . ASN C 139 ? 1.4742 1.3294 1.8050 0.0049 -0.2951 -0.1344 136 ASN H ND2 4420 N N . THR C 140 ? 1.4641 1.2920 1.5761 -0.0753 -0.3309 -0.0305 137 THR H N 4421 C CA . THR C 140 ? 1.4025 1.2745 1.4750 -0.1101 -0.3035 -0.0239 137 THR H CA 4422 C C . THR C 140 ? 1.3156 1.2657 1.4356 -0.1115 -0.2783 -0.0559 137 THR H C 4423 O O . THR C 140 ? 1.2914 1.2763 1.4734 -0.0861 -0.2861 -0.0737 137 THR H O 4424 C CB . THR C 140 ? 1.4158 1.2859 1.4293 -0.1131 -0.3201 0.0101 137 THR H CB 4425 O OG1 . THR C 140 ? 1.3966 1.3015 1.4424 -0.0860 -0.3477 0.0010 137 THR H OG1 4426 C CG2 . THR C 140 ? 1.5163 1.3000 1.4699 -0.1098 -0.3396 0.0474 137 THR H CG2 4427 N N . VAL C 141 ? 1.2757 1.2517 1.3699 -0.1417 -0.2483 -0.0609 138 VAL H N 4428 C CA . VAL C 141 ? 1.2109 1.2500 1.3332 -0.1455 -0.2201 -0.0875 138 VAL H CA 4429 C C . VAL C 141 ? 1.1504 1.2375 1.2423 -0.1660 -0.2108 -0.0738 138 VAL H C 4430 O O . VAL C 141 ? 1.1491 1.2238 1.1924 -0.1881 -0.2101 -0.0507 138 VAL H O 4431 C CB . VAL C 141 ? 1.2285 1.2519 1.3435 -0.1568 -0.1944 -0.1135 138 VAL H CB 4432 C CG1 . VAL C 141 ? 1.2852 1.2542 1.4269 -0.1331 -0.2008 -0.1311 138 VAL H CG1 4433 C CG2 . VAL C 141 ? 1.2389 1.2431 1.3016 -0.1925 -0.1921 -0.0989 138 VAL H CG2 4434 N N . THR C 142 ? 1.1002 1.2417 1.2282 -0.1574 -0.2010 -0.0880 139 THR H N 4435 C CA . THR C 142 ? 1.0534 1.2392 1.1588 -0.1723 -0.1923 -0.0791 139 THR H CA 4436 C C . THR C 142 ? 1.0189 1.2398 1.1253 -0.1857 -0.1579 -0.0975 139 THR H C 4437 O O . THR C 142 ? 1.0102 1.2503 1.1583 -0.1735 -0.1387 -0.1197 139 THR H O 4438 C CB . THR C 142 ? 1.0313 1.2464 1.1732 -0.1550 -0.2124 -0.0790 139 THR H CB 4439 O OG1 . THR C 142 ? 1.0931 1.2682 1.2346 -0.1354 -0.2514 -0.0662 139 THR H OG1 4440 C CG2 . THR C 142 ? 0.9927 1.2348 1.0950 -0.1689 -0.2098 -0.0664 139 THR H CG2 4441 N N . LEU C 143 ? 1.0025 1.2296 1.0620 -0.2091 -0.1491 -0.0862 140 LEU H N 4442 C CA . LEU C 143 ? 0.9780 1.2318 1.0233 -0.2218 -0.1239 -0.0996 140 LEU H CA 4443 C C . LEU C 143 ? 0.9343 1.2321 0.9734 -0.2266 -0.1176 -0.0899 140 LEU H C 4444 O O . LEU C 143 ? 0.9326 1.2358 0.9710 -0.2219 -0.1334 -0.0744 140 LEU H O 4445 C CB . LEU C 143 ? 1.0053 1.2368 1.0133 -0.2444 -0.1252 -0.0956 140 LEU H CB 4446 C CG . LEU C 143 ? 1.0555 1.2313 1.0649 -0.2442 -0.1375 -0.1015 140 LEU H CG 4447 C CD1 . LEU C 143 ? 1.0818 1.2383 1.0688 -0.2723 -0.1464 -0.0880 140 LEU H CD1 4448 C CD2 . LEU C 143 ? 1.0895 1.2459 1.1053 -0.2295 -0.1239 -0.1347 140 LEU H CD2 4449 N N . GLY C 144 ? 0.9181 1.2388 0.9432 -0.2343 -0.0963 -0.0993 141 GLY H N 4450 C CA . GLY C 144 ? 0.8820 1.2401 0.9056 -0.2362 -0.0875 -0.0928 141 GLY H CA 4451 C C . GLY C 144 ? 0.8750 1.2483 0.8638 -0.2482 -0.0716 -0.0941 141 GLY H C 4452 O O . GLY C 144 ? 0.8958 1.2521 0.8604 -0.2533 -0.0657 -0.1058 141 GLY H O 4453 N N . CYS C 145 ? 0.8527 1.2528 0.8353 -0.2504 -0.0690 -0.0830 142 CYS H N 4454 C CA . CYS C 145 ? 0.8551 1.2708 0.8064 -0.2582 -0.0582 -0.0803 142 CYS H CA 4455 C C . CYS C 145 ? 0.8307 1.2674 0.7922 -0.2524 -0.0456 -0.0775 142 CYS H C 4456 O O . CYS C 145 ? 0.8167 1.2621 0.7933 -0.2487 -0.0561 -0.0693 142 CYS H O 4457 C CB . CYS C 145 ? 0.8538 1.2777 0.7866 -0.2700 -0.0718 -0.0634 142 CYS H CB 4458 S SG . CYS C 145 ? 0.9252 1.3599 0.8285 -0.2811 -0.0727 -0.0639 142 CYS H SG 4459 N N . LEU C 146 ? 0.8402 1.2772 0.7875 -0.2510 -0.0237 -0.0843 143 LEU H N 4460 C CA . LEU C 146 ? 0.8308 1.2814 0.7909 -0.2478 -0.0077 -0.0799 143 LEU H CA 4461 C C . LEU C 146 ? 0.8360 1.2911 0.7514 -0.2514 -0.0057 -0.0694 143 LEU H C 4462 O O . LEU C 146 ? 0.8767 1.3188 0.7523 -0.2508 0.0071 -0.0721 143 LEU H O 4463 C CB . LEU C 146 ? 0.8538 1.2980 0.8363 -0.2416 0.0243 -0.0908 143 LEU H CB 4464 C CG . LEU C 146 ? 0.8476 1.3067 0.8798 -0.2407 0.0414 -0.0867 143 LEU H CG 4465 C CD1 . LEU C 146 ? 0.8840 1.3324 0.9032 -0.2380 0.0861 -0.0877 143 LEU H CD1 4466 C CD2 . LEU C 146 ? 0.8366 1.3042 0.8574 -0.2456 0.0246 -0.0740 143 LEU H CD2 4467 N N . VAL C 147 ? 0.8101 1.2789 0.7278 -0.2517 -0.0196 -0.0577 144 VAL H N 4468 C CA . VAL C 147 ? 0.8144 1.2902 0.7001 -0.2512 -0.0196 -0.0467 144 VAL H CA 4469 C C . VAL C 147 ? 0.8215 1.2929 0.7139 -0.2471 -0.0034 -0.0433 144 VAL H C 4470 O O . VAL C 147 ? 0.8049 1.2793 0.7197 -0.2447 -0.0103 -0.0410 144 VAL H O 4471 C CB . VAL C 147 ? 0.7964 1.2874 0.6810 -0.2505 -0.0368 -0.0356 144 VAL H CB 4472 C CG1 . VAL C 147 ? 0.7981 1.2999 0.6602 -0.2463 -0.0367 -0.0251 144 VAL H CG1 4473 C CG2 . VAL C 147 ? 0.7754 1.2684 0.6638 -0.2582 -0.0489 -0.0353 144 VAL H CG2 4474 N N . LYS C 148 ? 0.8593 1.3163 0.7259 -0.2463 0.0177 -0.0429 145 LYS H N 4475 C CA . LYS C 148 ? 0.8775 1.3238 0.7577 -0.2456 0.0424 -0.0379 145 LYS H CA 4476 C C . LYS C 148 ? 0.8981 1.3297 0.7317 -0.2411 0.0485 -0.0236 145 LYS H C 4477 O O . LYS C 148 ? 0.9281 1.3478 0.7061 -0.2368 0.0460 -0.0203 145 LYS H O 4478 C CB . LYS C 148 ? 0.9093 1.3433 0.8004 -0.2459 0.0746 -0.0457 145 LYS H CB 4479 C CG . LYS C 148 ? 0.9596 1.3829 0.8747 -0.2480 0.1103 -0.0371 145 LYS H CG 4480 C CD . LYS C 148 ? 1.0185 1.4260 0.9273 -0.2444 0.1537 -0.0415 145 LYS H CD 4481 C CE . LYS C 148 ? 1.0638 1.4508 0.9698 -0.2462 0.1988 -0.0253 145 LYS H CE 4482 N NZ . LYS C 148 ? 1.1321 1.4947 1.0057 -0.2382 0.2492 -0.0271 145 LYS H NZ 4483 N N . GLY C 149 ? 0.8864 1.3142 0.7436 -0.2413 0.0517 -0.0162 146 GLY H N 4484 C CA . GLY C 149 ? 0.9168 1.3209 0.7384 -0.2366 0.0638 -0.0006 146 GLY H CA 4485 C C . GLY C 149 ? 0.9146 1.3222 0.6985 -0.2258 0.0396 0.0078 146 GLY H C 4486 O O . GLY C 149 ? 0.9628 1.3536 0.6940 -0.2181 0.0402 0.0183 146 GLY H O 4487 N N . TYR C 150 ? 0.8730 1.3001 0.6826 -0.2227 0.0185 0.0038 147 TYR H N 4488 C CA . TYR C 150 ? 0.8703 1.3074 0.6596 -0.2096 0.0008 0.0118 147 TYR H CA 4489 C C . TYR C 150 ? 0.8710 1.2938 0.6695 -0.2004 -0.0014 0.0147 147 TYR H C 4490 O O . TYR C 150 ? 0.8755 1.2841 0.7013 -0.2063 0.0014 0.0069 147 TYR H O 4491 C CB . TYR C 150 ? 0.8361 1.3068 0.6387 -0.2098 -0.0164 0.0067 147 TYR H CB 4492 C CG . TYR C 150 ? 0.8091 1.2855 0.6405 -0.2127 -0.0203 -0.0025 147 TYR H CG 4493 C CD1 . TYR C 150 ? 0.7979 1.2727 0.6291 -0.2008 -0.0260 -0.0016 147 TYR H CD1 4494 C CD2 . TYR C 150 ? 0.8107 1.2877 0.6626 -0.2238 -0.0196 -0.0128 147 TYR H CD2 4495 C CE1 . TYR C 150 ? 0.8123 1.2811 0.6517 -0.2003 -0.0335 -0.0103 147 TYR H CE1 4496 C CE2 . TYR C 150 ? 0.8002 1.2760 0.6711 -0.2236 -0.0297 -0.0201 147 TYR H CE2 4497 C CZ . TYR C 150 ? 0.8007 1.2699 0.6597 -0.2120 -0.0380 -0.0187 147 TYR H CZ 4498 O OH . TYR C 150 ? 0.7880 1.2454 0.6487 -0.2089 -0.0518 -0.0262 147 TYR H OH 4499 N N . PHE C 151 ? 0.8774 1.3025 0.6558 -0.1845 -0.0098 0.0245 148 PHE H N 4500 C CA . PHE C 151 ? 0.8911 1.2995 0.6713 -0.1701 -0.0128 0.0255 148 PHE H CA 4501 C C . PHE C 151 ? 0.9097 1.3394 0.6820 -0.1491 -0.0224 0.0339 148 PHE H C 4502 O O . PHE C 151 ? 0.9348 1.3720 0.6926 -0.1435 -0.0289 0.0452 148 PHE H O 4503 C CB . PHE C 151 ? 0.9249 1.2883 0.6950 -0.1712 -0.0015 0.0331 148 PHE H CB 4504 C CG . PHE C 151 ? 0.9346 1.2694 0.7058 -0.1572 -0.0070 0.0305 148 PHE H CG 4505 C CD1 . PHE C 151 ? 0.9395 1.2548 0.7341 -0.1645 -0.0122 0.0146 148 PHE H CD1 4506 C CD2 . PHE C 151 ? 0.9564 1.2797 0.7047 -0.1346 -0.0112 0.0419 148 PHE H CD2 4507 C CE1 . PHE C 151 ? 0.9773 1.2560 0.7640 -0.1503 -0.0209 0.0080 148 PHE H CE1 4508 C CE2 . PHE C 151 ? 0.9990 1.2888 0.7443 -0.1187 -0.0152 0.0369 148 PHE H CE2 4509 C CZ . PHE C 151 ? 1.0035 1.2678 0.7637 -0.1270 -0.0198 0.0188 148 PHE H CZ 4510 N N . PRO C 152 ? 0.9153 1.3527 0.6967 -0.1351 -0.0236 0.0283 149 PRO H N 4511 C CA . PRO C 152 ? 0.9252 1.3420 0.7074 -0.1368 -0.0232 0.0136 149 PRO H CA 4512 C C . PRO C 152 ? 0.9023 1.3467 0.6930 -0.1438 -0.0244 0.0076 149 PRO H C 4513 O O . PRO C 152 ? 0.8811 1.3584 0.6855 -0.1546 -0.0246 0.0133 149 PRO H O 4514 C CB . PRO C 152 ? 0.9603 1.3580 0.7267 -0.1098 -0.0216 0.0125 149 PRO H CB 4515 C CG . PRO C 152 ? 0.9518 1.3889 0.7293 -0.0937 -0.0186 0.0275 149 PRO H CG 4516 C CD . PRO C 152 ? 0.9198 1.3830 0.7082 -0.1121 -0.0255 0.0366 149 PRO H CD 4517 N N . GLU C 153 ? 0.9226 1.3455 0.6989 -0.1368 -0.0278 -0.0039 150 GLU H N 4518 C CA . GLU C 153 ? 0.9248 1.3628 0.6947 -0.1375 -0.0271 -0.0057 150 GLU H CA 4519 C C . GLU C 153 ? 0.9274 1.3969 0.6973 -0.1206 -0.0104 0.0072 150 GLU H C 4520 O O . GLU C 153 ? 0.9491 1.4179 0.7168 -0.1013 -0.0031 0.0113 150 GLU H O 4521 C CB . GLU C 153 ? 0.9729 1.3678 0.7109 -0.1294 -0.0390 -0.0214 150 GLU H CB 4522 C CG . GLU C 153 ? 1.0051 1.3755 0.7635 -0.1469 -0.0594 -0.0351 150 GLU H CG 4523 C CD . GLU C 153 ? 1.0031 1.3877 0.7787 -0.1620 -0.0686 -0.0371 150 GLU H CD 4524 O OE1 . GLU C 153 ? 0.9622 1.3804 0.7460 -0.1682 -0.0567 -0.0254 150 GLU H OE1 4525 O OE2 . GLU C 153 ? 1.0061 1.3662 0.7917 -0.1672 -0.0911 -0.0512 150 GLU H OE2 4526 N N . PRO C 154 ? 0.9134 1.4099 0.6923 -0.1271 -0.0026 0.0148 151 PRO H N 4527 C CA . PRO C 154 ? 0.8958 1.3918 0.6770 -0.1462 -0.0101 0.0127 151 PRO H CA 4528 C C . PRO C 154 ? 0.8550 1.3849 0.6747 -0.1680 -0.0148 0.0189 151 PRO H C 4529 O O . PRO C 154 ? 0.8363 1.3899 0.6775 -0.1694 -0.0163 0.0244 151 PRO H O 4530 C CB . PRO C 154 ? 0.9187 1.4156 0.6779 -0.1347 0.0075 0.0219 151 PRO H CB 4531 C CG . PRO C 154 ? 0.9362 1.4681 0.7188 -0.1195 0.0296 0.0350 151 PRO H CG 4532 C CD . PRO C 154 ? 0.9367 1.4575 0.7192 -0.1081 0.0204 0.0271 151 PRO H CD 4533 N N . VAL C 155 ? 0.8457 1.3713 0.6679 -0.1823 -0.0203 0.0169 152 VAL H N 4534 C CA . VAL C 155 ? 0.8200 1.3653 0.6706 -0.2027 -0.0269 0.0182 152 VAL H CA 4535 C C . VAL C 155 ? 0.8306 1.3740 0.6846 -0.2122 -0.0255 0.0240 152 VAL H C 4536 O O . VAL C 155 ? 0.8471 1.3619 0.6841 -0.2128 -0.0335 0.0172 152 VAL H O 4537 C CB . VAL C 155 ? 0.8069 1.3349 0.6588 -0.2122 -0.0369 0.0048 152 VAL H CB 4538 C CG1 . VAL C 155 ? 0.7976 1.3261 0.6637 -0.2285 -0.0430 0.0003 152 VAL H CG1 4539 C CG2 . VAL C 155 ? 0.8087 1.3431 0.6596 -0.2100 -0.0360 0.0062 152 VAL H CG2 4540 N N . THR C 156 ? 0.8300 1.4029 0.7114 -0.2194 -0.0171 0.0379 153 THR H N 4541 C CA . THR C 156 ? 0.8460 1.4150 0.7353 -0.2310 -0.0118 0.0486 153 THR H CA 4542 C C . THR C 156 ? 0.8342 1.3886 0.7336 -0.2489 -0.0302 0.0378 153 THR H C 4543 O O . THR C 156 ? 0.8291 1.3875 0.7369 -0.2549 -0.0426 0.0245 153 THR H O 4544 C CB . THR C 156 ? 0.8511 1.4605 0.7871 -0.2387 0.0032 0.0675 153 THR H CB 4545 O OG1 . THR C 156 ? 0.8653 1.4966 0.8042 -0.2187 0.0219 0.0753 153 THR H OG1 4546 C CG2 . THR C 156 ? 0.8939 1.4904 0.8306 -0.2477 0.0193 0.0851 153 THR H CG2 4547 N N . VAL C 157 ? 0.8475 1.3791 0.7394 -0.2547 -0.0296 0.0443 154 VAL H N 4548 C CA . VAL C 157 ? 0.8435 1.3555 0.7461 -0.2686 -0.0456 0.0342 154 VAL H CA 4549 C C . VAL C 157 ? 0.8689 1.3625 0.7763 -0.2791 -0.0415 0.0502 154 VAL H C 4550 O O . VAL C 157 ? 0.9033 1.3627 0.7781 -0.2697 -0.0415 0.0567 154 VAL H O 4551 C CB . VAL C 157 ? 0.8475 1.3316 0.7310 -0.2585 -0.0581 0.0168 154 VAL H CB 4552 C CG1 . VAL C 157 ? 0.8659 1.3276 0.7631 -0.2676 -0.0702 0.0080 154 VAL H CG1 4553 C CG2 . VAL C 157 ? 0.8053 1.3028 0.6919 -0.2536 -0.0587 0.0024 154 VAL H CG2 4554 N N . SER C 158 ? 0.8647 1.3768 0.8127 -0.2990 -0.0414 0.0569 156 SER H N 4555 C CA . SER C 158 ? 0.8894 1.3823 0.8533 -0.3147 -0.0365 0.0741 156 SER H CA 4556 C C . SER C 158 ? 0.8898 1.3570 0.8676 -0.3291 -0.0599 0.0569 156 SER H C 4557 O O . SER C 158 ? 0.8777 1.3491 0.8561 -0.3286 -0.0758 0.0329 156 SER H O 4558 C CB . SER C 158 ? 0.8911 1.4229 0.9066 -0.3298 -0.0191 0.0953 156 SER H CB 4559 O OG . SER C 158 ? 0.9261 1.4380 0.9677 -0.3502 -0.0129 0.1136 156 SER H OG 4560 N N . TRP C 159 ? 0.9175 1.3506 0.8991 -0.3395 -0.0591 0.0701 157 TRP H N 4561 C CA . TRP C 159 ? 0.9316 1.3323 0.9276 -0.3528 -0.0801 0.0546 157 TRP H CA 4562 C C . TRP C 159 ? 0.9593 1.3549 1.0006 -0.3808 -0.0787 0.0720 157 TRP H C 4563 O O . TRP C 159 ? 0.9981 1.3733 1.0385 -0.3858 -0.0605 0.1008 157 TRP H O 4564 C CB . TRP C 159 ? 0.9552 1.3070 0.9172 -0.3368 -0.0875 0.0503 157 TRP H CB 4565 C CG . TRP C 159 ? 0.9349 1.2935 0.8735 -0.3136 -0.0931 0.0302 157 TRP H CG 4566 C CD1 . TRP C 159 ? 0.9384 1.3062 0.8492 -0.2951 -0.0867 0.0363 157 TRP H CD1 4567 C CD2 . TRP C 159 ? 0.9408 1.2949 0.8855 -0.3070 -0.1042 0.0007 157 TRP H CD2 4568 N NE1 . TRP C 159 ? 0.9154 1.2883 0.8266 -0.2812 -0.0959 0.0133 157 TRP H NE1 4569 C CE2 . TRP C 159 ? 0.9090 1.2760 0.8419 -0.2876 -0.1022 -0.0069 157 TRP H CE2 4570 C CE3 . TRP C 159 ? 0.9647 1.3009 0.9213 -0.3148 -0.1136 -0.0206 157 TRP H CE3 4571 C CZ2 . TRP C 159 ? 0.8954 1.2645 0.8390 -0.2777 -0.1034 -0.0310 157 TRP H CZ2 4572 C CZ3 . TRP C 159 ? 0.9403 1.2739 0.8929 -0.3006 -0.1126 -0.0460 157 TRP H CZ3 4573 C CH2 . TRP C 159 ? 0.9084 1.2615 0.8599 -0.2832 -0.1047 -0.0491 157 TRP H CH2 4574 N N . ASN C 160 ? 0.9482 1.3581 1.0268 -0.3991 -0.0992 0.0545 162 ASN H N 4575 C CA . ASN C 160 ? 0.9717 1.3827 1.1115 -0.4307 -0.1059 0.0665 162 ASN H CA 4576 C C . ASN C 160 ? 0.9657 1.4242 1.1514 -0.4394 -0.0762 0.1007 162 ASN H C 4577 O O . ASN C 160 ? 1.0041 1.4521 1.2281 -0.4589 -0.0586 0.1288 162 ASN H O 4578 C CB . ASN C 160 ? 1.0192 1.3666 1.1561 -0.4419 -0.1101 0.0732 162 ASN H CB 4579 C CG . ASN C 160 ? 1.0232 1.3230 1.1216 -0.4299 -0.1353 0.0384 162 ASN H CG 4580 O OD1 . ASN C 160 ? 0.9912 1.3049 1.0686 -0.4182 -0.1487 0.0092 162 ASN H OD1 4581 N ND2 . ASN C 160 ? 1.0594 1.2997 1.1471 -0.4306 -0.1386 0.0430 162 ASN H ND2 4582 N N . SER C 161 ? 0.9251 1.4330 1.1068 -0.4229 -0.0671 0.0991 163 SER H N 4583 C CA . SER C 161 ? 0.9149 1.4755 1.1432 -0.4244 -0.0361 0.1272 163 SER H CA 4584 C C . SER C 161 ? 0.9486 1.4870 1.1457 -0.4149 0.0081 0.1611 163 SER H C 4585 O O . SER C 161 ? 0.9595 1.5319 1.1954 -0.4174 0.0447 0.1896 163 SER H O 4586 C CB . SER C 161 ? 0.9195 1.5177 1.2508 -0.4570 -0.0484 0.1345 163 SER H CB 4587 O OG . SER C 161 ? 0.8927 1.5108 1.2405 -0.4603 -0.0928 0.1036 163 SER H OG 4588 N N . GLY C 162 ? 0.9704 1.4498 1.0946 -0.4012 0.0047 0.1576 164 GLY H N 4589 C CA . GLY C 162 ? 1.0221 1.4641 1.0910 -0.3868 0.0385 0.1874 164 GLY H CA 4590 C C . GLY C 162 ? 1.0839 1.4706 1.1561 -0.4056 0.0417 0.2082 164 GLY H C 4591 O O . GLY C 162 ? 1.1402 1.4846 1.1609 -0.3957 0.0696 0.2380 164 GLY H O 4592 N N . ALA C 163 ? 1.0865 1.4659 1.2121 -0.4316 0.0116 0.1922 165 ALA H N 4593 C CA . ALA C 163 ? 1.1557 1.4731 1.2869 -0.4504 0.0073 0.2071 165 ALA H CA 4594 C C . ALA C 163 ? 1.1944 1.4462 1.2370 -0.4225 -0.0034 0.2034 165 ALA H C 4595 O O . ALA C 163 ? 1.2619 1.4563 1.2697 -0.4213 0.0115 0.2330 165 ALA H O 4596 C CB . ALA C 163 ? 1.1497 1.4627 1.3429 -0.4786 -0.0318 0.1801 165 ALA H CB 4597 N N . LEU C 164 ? 1.1592 1.4198 1.1692 -0.3996 -0.0297 0.1684 166 LEU H N 4598 C CA . LEU C 164 ? 1.1868 1.3994 1.1283 -0.3699 -0.0448 0.1608 166 LEU H CA 4599 C C . LEU C 164 ? 1.2137 1.4266 1.0920 -0.3449 -0.0225 0.1810 166 LEU H C 4600 O O . LEU C 164 ? 1.1663 1.4159 1.0283 -0.3278 -0.0239 0.1643 166 LEU H O 4601 C CB . LEU C 164 ? 1.1330 1.3592 1.0763 -0.3560 -0.0753 0.1178 166 LEU H CB 4602 C CG . LEU C 164 ? 1.1458 1.3508 1.1277 -0.3729 -0.0984 0.0941 166 LEU H CG 4603 C CD1 . LEU C 164 ? 1.1110 1.3256 1.0868 -0.3553 -0.1178 0.0542 166 LEU H CD1 4604 C CD2 . LEU C 164 ? 1.2182 1.3521 1.1906 -0.3761 -0.1049 0.1106 166 LEU H CD2 4605 N N . THR C 165 ? 1.3041 1.4665 1.1405 -0.3428 -0.0018 0.2176 167 THR H N 4606 C CA . THR C 165 ? 1.3559 1.5034 1.1173 -0.3199 0.0268 0.2431 167 THR H CA 4607 C C . THR C 165 ? 1.4152 1.4991 1.0885 -0.2869 -0.0016 0.2397 167 THR H C 4608 O O . THR C 165 ? 1.5106 1.5451 1.0989 -0.2675 0.0150 0.2674 167 THR H O 4609 C CB . THR C 165 ? 1.4293 1.5554 1.1891 -0.3363 0.0765 0.2919 167 THR H CB 4610 O OG1 . THR C 165 ? 1.4809 1.5818 1.1484 -0.3083 0.1080 0.3151 167 THR H OG1 4611 C CG2 . THR C 165 ? 1.4940 1.5475 1.2471 -0.3494 0.0688 0.3140 167 THR H CG2 4612 N N . SER C 166 ? 1.3703 1.4538 1.0643 -0.2791 -0.0449 0.2057 168 SER H N 4613 C CA . SER C 166 ? 1.4121 1.4422 1.0467 -0.2484 -0.0815 0.1988 168 SER H CA 4614 C C . SER C 166 ? 1.3429 1.3967 1.0276 -0.2409 -0.1207 0.1574 168 SER H C 4615 O O . SER C 166 ? 1.2937 1.3750 1.0460 -0.2595 -0.1226 0.1383 168 SER H O 4616 C CB . SER C 166 ? 1.5084 1.4580 1.1034 -0.2468 -0.0850 0.2303 168 SER H CB 4617 O OG . SER C 166 ? 1.5651 1.4593 1.0943 -0.2129 -0.1240 0.2278 168 SER H OG 4618 N N . GLY C 167 ? 1.3467 1.3866 0.9960 -0.2123 -0.1514 0.1436 169 GLY H N 4619 C CA . GLY C 167 ? 1.2865 1.3490 0.9895 -0.2017 -0.1851 0.1076 169 GLY H CA 4620 C C . GLY C 167 ? 1.1916 1.3233 0.9368 -0.2089 -0.1745 0.0814 169 GLY H C 4621 O O . GLY C 167 ? 1.1447 1.3012 0.9351 -0.2007 -0.1937 0.0535 169 GLY H O 4622 N N . VAL C 168 ? 1.1663 1.3279 0.9000 -0.2235 -0.1414 0.0930 171 VAL H N 4623 C CA . VAL C 168 ? 1.0910 1.3132 0.8584 -0.2303 -0.1294 0.0728 171 VAL H CA 4624 C C . VAL C 168 ? 1.0908 1.3162 0.8259 -0.2093 -0.1433 0.0623 171 VAL H C 4625 O O . VAL C 168 ? 1.1364 1.3410 0.8080 -0.1979 -0.1348 0.0780 171 VAL H O 4626 C CB . VAL C 168 ? 1.0719 1.3273 0.8468 -0.2498 -0.0935 0.0887 171 VAL H CB 4627 C CG1 . VAL C 168 ? 1.0050 1.3147 0.8050 -0.2511 -0.0864 0.0696 171 VAL H CG1 4628 C CG2 . VAL C 168 ? 1.0669 1.3221 0.8865 -0.2751 -0.0862 0.0946 171 VAL H CG2 4629 N N . HIS C 169 ? 1.0481 1.2965 0.8283 -0.2045 -0.1628 0.0349 172 HIS H N 4630 C CA . HIS C 169 ? 1.0418 1.2979 0.8119 -0.1901 -0.1792 0.0202 172 HIS H CA 4631 C C . HIS C 169 ? 0.9718 1.2792 0.7788 -0.2017 -0.1579 0.0066 172 HIS H C 4632 O O . HIS C 169 ? 0.9258 1.2623 0.7821 -0.2153 -0.1454 -0.0032 172 HIS H O 4633 C CB . HIS C 169 ? 1.0512 1.2946 0.8582 -0.1760 -0.2191 0.0017 172 HIS H CB 4634 C CG . HIS C 169 ? 1.1480 1.3331 0.9077 -0.1575 -0.2515 0.0143 172 HIS H CG 4635 N ND1 . HIS C 169 ? 1.2229 1.3746 0.9627 -0.1602 -0.2451 0.0345 172 HIS H ND1 4636 C CD2 . HIS C 169 ? 1.2188 1.3668 0.9439 -0.1350 -0.2950 0.0098 172 HIS H CD2 4637 C CE1 . HIS C 169 ? 1.2822 1.3768 0.9713 -0.1387 -0.2801 0.0447 172 HIS H CE1 4638 N NE2 . HIS C 169 ? 1.2999 1.3913 0.9770 -0.1222 -0.3135 0.0290 172 HIS H NE2 4639 N N . THR C 170 ? 0.9766 1.2867 0.7493 -0.1937 -0.1545 0.0063 173 THR H N 4640 C CA . THR C 170 ? 0.9265 1.2753 0.7280 -0.2002 -0.1399 -0.0059 173 THR H CA 4641 C C . THR C 170 ? 0.9314 1.2684 0.7314 -0.1876 -0.1647 -0.0224 173 THR H C 4642 O O . THR C 170 ? 0.9810 1.2871 0.7219 -0.1726 -0.1755 -0.0199 173 THR H O 4643 C CB . THR C 170 ? 0.9285 1.2951 0.7019 -0.2036 -0.1092 0.0090 173 THR H CB 4644 O OG1 . THR C 170 ? 0.9391 1.3197 0.7293 -0.2193 -0.0908 0.0234 173 THR H OG1 4645 C CG2 . THR C 170 ? 0.8983 1.2978 0.6980 -0.2073 -0.0988 -0.0024 173 THR H CG2 4646 N N . PHE C 171 ? 0.8806 1.2398 0.7466 -0.1941 -0.1717 -0.0396 174 PHE H N 4647 C CA . PHE C 171 ? 0.8706 1.2222 0.7641 -0.1873 -0.2000 -0.0569 174 PHE H CA 4648 C C . PHE C 171 ? 0.8513 1.2099 0.7324 -0.1889 -0.1877 -0.0611 174 PHE H C 4649 O O . PHE C 171 ? 0.8098 1.1889 0.6771 -0.1954 -0.1554 -0.0518 174 PHE H O 4650 C CB . PHE C 171 ? 0.8366 1.2126 0.8209 -0.1944 -0.2047 -0.0705 174 PHE H CB 4651 C CG . PHE C 171 ? 0.8437 1.2070 0.8465 -0.1876 -0.2234 -0.0696 174 PHE H CG 4652 C CD1 . PHE C 171 ? 0.8264 1.1956 0.8276 -0.1940 -0.1998 -0.0614 174 PHE H CD1 4653 C CD2 . PHE C 171 ? 0.8812 1.2218 0.9030 -0.1734 -0.2697 -0.0780 174 PHE H CD2 4654 C CE1 . PHE C 171 ? 0.8497 1.2001 0.8668 -0.1861 -0.2173 -0.0605 174 PHE H CE1 4655 C CE2 . PHE C 171 ? 0.9018 1.2272 0.9409 -0.1637 -0.2895 -0.0758 174 PHE H CE2 4656 C CZ . PHE C 171 ? 0.8900 1.2191 0.9262 -0.1698 -0.2609 -0.0665 174 PHE H CZ 4657 N N . PRO C 172 ? 0.8807 1.2185 0.7680 -0.1819 -0.2181 -0.0758 175 PRO H N 4658 C CA . PRO C 172 ? 0.8893 1.2226 0.7640 -0.1820 -0.2110 -0.0815 175 PRO H CA 4659 C C . PRO C 172 ? 0.8435 1.2139 0.7782 -0.1988 -0.1795 -0.0806 175 PRO H C 4660 O O . PRO C 172 ? 0.8191 1.2163 0.8128 -0.2099 -0.1672 -0.0809 175 PRO H O 4661 C CB . PRO C 172 ? 0.9377 1.2381 0.8267 -0.1750 -0.2598 -0.1014 175 PRO H CB 4662 C CG . PRO C 172 ? 0.9775 1.2536 0.8446 -0.1629 -0.2945 -0.1017 175 PRO H CG 4663 C CD . PRO C 172 ? 0.9238 1.2343 0.8270 -0.1720 -0.2676 -0.0885 175 PRO H CD 4664 N N . SER C 173 ? 0.8482 1.2133 0.7598 -0.1977 -0.1653 -0.0792 176 SER H N 4665 C CA . SER C 173 ? 0.8186 1.2072 0.7680 -0.2107 -0.1350 -0.0745 176 SER H CA 4666 C C . SER C 173 ? 0.8260 1.2053 0.8354 -0.2199 -0.1461 -0.0861 176 SER H C 4667 O O . SER C 173 ? 0.8659 1.2135 0.8682 -0.2140 -0.1774 -0.0988 176 SER H O 4668 C CB . SER C 173 ? 0.8231 1.2111 0.7201 -0.2032 -0.1127 -0.0631 176 SER H CB 4669 O OG . SER C 173 ? 0.8977 1.2514 0.7646 -0.1915 -0.1279 -0.0712 176 SER H OG 4670 N N . VAL C 174 ? 0.7982 1.2019 0.8655 -0.2345 -0.1188 -0.0816 177 VAL H N 4671 C CA . VAL C 174 ? 0.8026 1.2026 0.9390 -0.2478 -0.1149 -0.0861 177 VAL H CA 4672 C C . VAL C 174 ? 0.8095 1.1993 0.9169 -0.2508 -0.0836 -0.0727 177 VAL H C 4673 O O . VAL C 174 ? 0.7923 1.1909 0.8472 -0.2454 -0.0597 -0.0597 177 VAL H O 4674 C CB . VAL C 174 ? 0.7842 1.2146 1.0082 -0.2602 -0.0960 -0.0868 177 VAL H CB 4675 C CG1 . VAL C 174 ? 0.7520 1.1989 0.9530 -0.2633 -0.0460 -0.0720 177 VAL H CG1 4676 C CG2 . VAL C 174 ? 0.8009 1.2293 1.1186 -0.2754 -0.0999 -0.0928 177 VAL H CG2 4677 N N . LEU C 175 ? 0.8424 1.2102 0.9881 -0.2596 -0.0886 -0.0761 178 LEU H N 4678 C CA . LEU C 175 ? 0.8713 1.2175 0.9900 -0.2611 -0.0637 -0.0625 178 LEU H CA 4679 C C . LEU C 175 ? 0.8919 1.2371 1.0863 -0.2819 -0.0349 -0.0538 178 LEU H C 4680 O O . LEU C 175 ? 0.9233 1.2567 1.1912 -0.2952 -0.0535 -0.0640 178 LEU H O 4681 C CB . LEU C 175 ? 0.9109 1.2153 0.9887 -0.2494 -0.0942 -0.0726 178 LEU H CB 4682 C CG . LEU C 175 ? 0.9528 1.2249 1.0003 -0.2463 -0.0760 -0.0603 178 LEU H CG 4683 C CD1 . LEU C 175 ? 1.0003 1.2414 0.9752 -0.2220 -0.0984 -0.0695 178 LEU H CD1 4684 C CD2 . LEU C 175 ? 0.9794 1.2247 1.0989 -0.2672 -0.0738 -0.0605 178 LEU H CD2 4685 N N . HIS C 176 ? 0.8914 1.2460 1.0664 -0.2845 0.0105 -0.0344 179 HIS H N 4686 C CA . HIS C 176 ? 0.9196 1.2678 1.1509 -0.3020 0.0517 -0.0198 179 HIS H CA 4687 C C . HIS C 176 ? 0.9499 1.2736 1.1078 -0.2967 0.0907 0.0051 179 HIS H C 4688 O O . HIS C 176 ? 0.9443 1.2783 1.0375 -0.2854 0.1061 0.0119 179 HIS H O 4689 C CB . HIS C 176 ? 0.9070 1.2928 1.2105 -0.3109 0.0749 -0.0230 179 HIS H CB 4690 C CG . HIS C 176 ? 0.9638 1.3492 1.3598 -0.3313 0.1149 -0.0114 179 HIS H CG 4691 N ND1 . HIS C 176 ? 1.0010 1.3804 1.4952 -0.3491 0.0934 -0.0188 179 HIS H ND1 4692 C CD2 . HIS C 176 ? 1.0069 1.3948 1.4134 -0.3369 0.1773 0.0076 179 HIS H CD2 4693 C CE1 . HIS C 176 ? 1.0344 1.4188 1.6094 -0.3676 0.1435 -0.0025 179 HIS H CE1 4694 N NE2 . HIS C 176 ? 1.0580 1.4463 1.5763 -0.3591 0.1988 0.0147 179 HIS H NE2 4695 N N . SER C 177 ? 0.9905 1.2758 1.1587 -0.3049 0.1018 0.0179 180 SER H N 4696 C CA . SER C 177 ? 1.0392 1.2890 1.1400 -0.2998 0.1379 0.0454 180 SER H CA 4697 C C . SER C 177 ? 1.0364 1.2733 1.0407 -0.2755 0.1133 0.0475 180 SER H C 4698 O O . SER C 177 ? 1.0739 1.2948 1.0052 -0.2639 0.1324 0.0664 180 SER H O 4699 C CB . SER C 177 ? 1.0570 1.3173 1.1390 -0.3016 0.1882 0.0604 180 SER H CB 4700 O OG . SER C 177 ? 1.0515 1.3384 1.2356 -0.3199 0.2117 0.0548 180 SER H OG 4701 N N . GLY C 178 ? 1.0001 1.2428 1.0055 -0.2662 0.0705 0.0277 183 GLY H N 4702 C CA . GLY C 178 ? 0.9949 1.2293 0.9282 -0.2418 0.0494 0.0286 183 GLY H CA 4703 C C . GLY C 178 ? 0.9441 1.2214 0.8400 -0.2300 0.0416 0.0240 183 GLY H C 4704 O O . GLY C 178 ? 0.9365 1.2209 0.7883 -0.2107 0.0258 0.0245 183 GLY H O 4705 N N . LEU C 179 ? 0.9072 1.2130 0.8295 -0.2419 0.0546 0.0197 184 LEU H N 4706 C CA . LEU C 179 ? 0.8603 1.2024 0.7570 -0.2353 0.0465 0.0135 184 LEU H CA 4707 C C . LEU C 179 ? 0.8193 1.1862 0.7589 -0.2397 0.0243 -0.0066 184 LEU H C 4708 O O . LEU C 179 ? 0.8177 1.1822 0.8175 -0.2517 0.0214 -0.0159 184 LEU H O 4709 C CB . LEU C 179 ? 0.8710 1.2165 0.7482 -0.2406 0.0766 0.0223 184 LEU H CB 4710 C CG . LEU C 179 ? 0.8898 1.2122 0.6918 -0.2291 0.0876 0.0410 184 LEU H CG 4711 C CD1 . LEU C 179 ? 0.8873 1.1993 0.6614 -0.2335 0.1203 0.0464 184 LEU H CD1 4712 C CD2 . LEU C 179 ? 0.8712 1.2149 0.6348 -0.2139 0.0565 0.0386 184 LEU H CD2 4713 N N . TYR C 180 ? 0.7954 1.1846 0.7061 -0.2297 0.0071 -0.0114 185 TYR H N 4714 C CA . TYR C 180 ? 0.7695 1.1759 0.7031 -0.2308 -0.0136 -0.0262 185 TYR H CA 4715 C C . TYR C 180 ? 0.7545 1.1843 0.6963 -0.2371 -0.0047 -0.0281 185 TYR H C 4716 O O . TYR C 180 ? 0.7718 1.2076 0.6815 -0.2364 0.0094 -0.0202 185 TYR H O 4717 C CB . TYR C 180 ? 0.7644 1.1730 0.6599 -0.2153 -0.0332 -0.0280 185 TYR H CB 4718 C CG . TYR C 180 ? 0.8142 1.1916 0.7004 -0.2055 -0.0478 -0.0345 185 TYR H CG 4719 C CD1 . TYR C 180 ? 0.8258 1.1839 0.7322 -0.2071 -0.0724 -0.0510 185 TYR H CD1 4720 C CD2 . TYR C 180 ? 0.8426 1.2046 0.6977 -0.1924 -0.0412 -0.0259 185 TYR H CD2 4721 C CE1 . TYR C 180 ? 0.8698 1.1893 0.7586 -0.1971 -0.0905 -0.0612 185 TYR H CE1 4722 C CE2 . TYR C 180 ? 0.8843 1.2094 0.7259 -0.1810 -0.0545 -0.0349 185 TYR H CE2 4723 C CZ . TYR C 180 ? 0.9063 1.2079 0.7613 -0.1840 -0.0794 -0.0537 185 TYR H CZ 4724 O OH . TYR C 180 ? 0.9813 1.2365 0.8141 -0.1717 -0.0975 -0.0668 185 TYR H OH 4725 N N . SER C 181 ? 0.7377 1.1754 0.7207 -0.2416 -0.0174 -0.0402 186 SER H N 4726 C CA . SER C 181 ? 0.7196 1.1740 0.7149 -0.2450 -0.0119 -0.0447 186 SER H CA 4727 C C . SER C 181 ? 0.7002 1.1586 0.7023 -0.2404 -0.0405 -0.0530 186 SER H C 4728 O O . SER C 181 ? 0.7033 1.1515 0.7275 -0.2376 -0.0643 -0.0608 186 SER H O 4729 C CB . SER C 181 ? 0.7293 1.1868 0.7805 -0.2536 0.0122 -0.0486 186 SER H CB 4730 O OG . SER C 181 ? 0.7782 1.2226 0.8131 -0.2571 0.0439 -0.0370 186 SER H OG 4731 N N . LEU C 182 ? 0.6966 1.1636 0.6746 -0.2396 -0.0406 -0.0507 187 LEU H N 4732 C CA . LEU C 182 ? 0.7011 1.1649 0.6729 -0.2349 -0.0634 -0.0528 187 LEU H CA 4733 C C . LEU C 182 ? 0.7067 1.1750 0.6908 -0.2388 -0.0595 -0.0563 187 LEU H C 4734 O O . LEU C 182 ? 0.7167 1.1900 0.6864 -0.2438 -0.0422 -0.0553 187 LEU H O 4735 C CB . LEU C 182 ? 0.7050 1.1679 0.6263 -0.2287 -0.0677 -0.0416 187 LEU H CB 4736 C CG . LEU C 182 ? 0.7060 1.1595 0.6049 -0.2236 -0.0821 -0.0365 187 LEU H CG 4737 C CD1 . LEU C 182 ? 0.7239 1.1750 0.5792 -0.2139 -0.0776 -0.0251 187 LEU H CD1 4738 C CD2 . LEU C 182 ? 0.6929 1.1548 0.5990 -0.2328 -0.0766 -0.0330 187 LEU H CD2 4739 N N . SER C 183 ? 0.7190 1.1788 0.7256 -0.2343 -0.0797 -0.0617 188 SER H N 4740 C CA . SER C 183 ? 0.7329 1.1886 0.7492 -0.2350 -0.0806 -0.0649 188 SER H CA 4741 C C . SER C 183 ? 0.7523 1.1900 0.7371 -0.2306 -0.1023 -0.0555 188 SER H C 4742 O O . SER C 183 ? 0.7636 1.1878 0.7274 -0.2224 -0.1211 -0.0511 188 SER H O 4743 C CB . SER C 183 ? 0.7384 1.1975 0.8202 -0.2309 -0.0806 -0.0783 188 SER H CB 4744 O OG . SER C 183 ? 0.7879 1.2409 0.9006 -0.2231 -0.1121 -0.0821 188 SER H OG 4745 N N . SER C 184 ? 0.7624 1.1934 0.7374 -0.2358 -0.0982 -0.0522 189 SER H N 4746 C CA . SER C 184 ? 0.7878 1.1970 0.7344 -0.2347 -0.1116 -0.0387 189 SER H CA 4747 C C . SER C 184 ? 0.8080 1.1982 0.7733 -0.2360 -0.1168 -0.0433 189 SER H C 4748 O O . SER C 184 ? 0.8073 1.2025 0.7877 -0.2425 -0.1036 -0.0544 189 SER H O 4749 C CB . SER C 184 ? 0.7831 1.2025 0.6962 -0.2441 -0.0980 -0.0228 189 SER H CB 4750 O OG . SER C 184 ? 0.8122 1.2096 0.7039 -0.2460 -0.1022 -0.0061 189 SER H OG 4751 N N . SER C 185 ? 0.8462 1.2069 0.8019 -0.2274 -0.1373 -0.0350 190 SER H N 4752 C CA . SER C 185 ? 0.8823 1.2168 0.8569 -0.2249 -0.1460 -0.0386 190 SER H CA 4753 C C . SER C 185 ? 0.9278 1.2281 0.8653 -0.2308 -0.1504 -0.0170 190 SER H C 4754 O O . SER C 185 ? 0.9453 1.2419 0.8419 -0.2342 -0.1451 0.0030 190 SER H O 4755 C CB . SER C 185 ? 0.9000 1.2240 0.9121 -0.2056 -0.1709 -0.0488 190 SER H CB 4756 O OG . SER C 185 ? 0.9524 1.2528 0.9282 -0.1942 -0.1977 -0.0356 190 SER H OG 4757 N N . VAL C 186 ? 0.9541 1.2266 0.9089 -0.2310 -0.1565 -0.0212 191 VAL H N 4758 C CA . VAL C 186 ? 1.0020 1.2323 0.9308 -0.2383 -0.1607 0.0002 191 VAL H CA 4759 C C . VAL C 186 ? 1.0381 1.2277 0.9898 -0.2284 -0.1768 -0.0079 191 VAL H C 4760 O O . VAL C 186 ? 1.0222 1.2172 1.0092 -0.2274 -0.1717 -0.0319 191 VAL H O 4761 C CB . VAL C 186 ? 0.9977 1.2395 0.9230 -0.2646 -0.1408 0.0082 191 VAL H CB 4762 C CG1 . VAL C 186 ? 1.0412 1.2371 0.9716 -0.2760 -0.1461 0.0164 191 VAL H CG1 4763 C CG2 . VAL C 186 ? 1.0029 1.2630 0.8976 -0.2710 -0.1260 0.0325 191 VAL H CG2 4764 N N . THR C 187 ? 1.0980 1.2408 1.0222 -0.2179 -0.1952 0.0130 192 THR H N 4765 C CA . THR C 187 ? 1.1478 1.2434 1.0903 -0.2042 -0.2150 0.0097 192 THR H CA 4766 C C . THR C 187 ? 1.2038 1.2492 1.1218 -0.2217 -0.2089 0.0318 192 THR H C 4767 O O . THR C 187 ? 1.2314 1.2620 1.1061 -0.2337 -0.1985 0.0623 192 THR H O 4768 C CB . THR C 187 ? 1.1870 1.2561 1.1178 -0.1750 -0.2496 0.0173 192 THR H CB 4769 O OG1 . THR C 187 ? 1.1330 1.2505 1.0990 -0.1630 -0.2579 -0.0033 192 THR H OG1 4770 C CG2 . THR C 187 ? 1.2402 1.2634 1.2004 -0.1563 -0.2727 0.0123 192 THR H CG2 4771 N N . VAL C 188 ? 1.2312 1.2489 1.1803 -0.2228 -0.2125 0.0158 193 VAL H N 4772 C CA . VAL C 188 ? 1.2983 1.2614 1.2364 -0.2419 -0.2102 0.0327 193 VAL H CA 4773 C C . VAL C 188 ? 1.3682 1.2735 1.3271 -0.2229 -0.2304 0.0207 193 VAL H C 4774 O O . VAL C 188 ? 1.3497 1.2708 1.3451 -0.1996 -0.2373 -0.0090 193 VAL H O 4775 C CB . VAL C 188 ? 1.2707 1.2577 1.2261 -0.2740 -0.1916 0.0203 193 VAL H CB 4776 C CG1 . VAL C 188 ? 1.2206 1.2626 1.1626 -0.2911 -0.1723 0.0356 193 VAL H CG1 4777 C CG2 . VAL C 188 ? 1.2380 1.2447 1.2224 -0.2655 -0.1908 -0.0226 193 VAL H CG2 4778 N N . PRO C 189 ? 1.4598 1.2964 1.3998 -0.2321 -0.2367 0.0453 194 PRO H N 4779 C CA . PRO C 189 ? 1.5331 1.3056 1.4882 -0.2092 -0.2590 0.0376 194 PRO H CA 4780 C C . PRO C 189 ? 1.5378 1.3055 1.5335 -0.2096 -0.2549 -0.0038 194 PRO H C 4781 O O . PRO C 189 ? 1.5048 1.2982 1.5051 -0.2357 -0.2384 -0.0205 194 PRO H O 4782 C CB . PRO C 189 ? 1.6197 1.3166 1.5389 -0.2261 -0.2607 0.0784 194 PRO H CB 4783 C CG . PRO C 189 ? 1.5873 1.3159 1.5003 -0.2672 -0.2326 0.0938 194 PRO H CG 4784 C CD . PRO C 189 ? 1.4940 1.3080 1.4057 -0.2640 -0.2204 0.0819 194 PRO H CD 4785 N N . SER C 190 ? 1.5889 1.3204 1.6105 -0.1770 -0.2715 -0.0208 195 SER H N 4786 C CA . SER C 190 ? 1.6198 1.3294 1.6701 -0.1693 -0.2655 -0.0611 195 SER H CA 4787 C C . SER C 190 ? 1.6848 1.3360 1.7151 -0.2032 -0.2648 -0.0587 195 SER H C 4788 O O . SER C 190 ? 1.7399 1.3397 1.7505 -0.2205 -0.2743 -0.0231 195 SER H O 4789 C CB . SER C 190 ? 1.6687 1.3375 1.7538 -0.1258 -0.2839 -0.0734 195 SER H CB 4790 O OG . SER C 190 ? 1.7002 1.3379 1.8044 -0.1156 -0.2731 -0.1131 195 SER H OG 4791 N N . SER C 191 ? 1.6905 1.3475 1.7242 -0.2130 -0.2536 -0.0966 196 SER H N 4792 C CA . SER C 191 ? 1.7584 1.3589 1.7802 -0.2452 -0.2606 -0.1047 196 SER H CA 4793 C C . SER C 191 ? 1.7343 1.3674 1.7490 -0.2907 -0.2563 -0.0759 196 SER H C 4794 O O . SER C 191 ? 1.7883 1.3731 1.8080 -0.3231 -0.2659 -0.0617 196 SER H O 4795 C CB . SER C 191 ? 1.8561 1.3579 1.8811 -0.2386 -0.2804 -0.0930 196 SER H CB 4796 O OG . SER C 191 ? 1.8737 1.3589 1.8898 -0.2467 -0.2864 -0.0407 196 SER H OG 4797 N N . THR C 192 ? 1.6588 1.3743 1.6697 -0.2924 -0.2410 -0.0672 197 THR H N 4798 C CA . THR C 192 ? 1.6261 1.3871 1.6377 -0.3300 -0.2323 -0.0455 197 THR H CA 4799 C C . THR C 192 ? 1.5709 1.3932 1.5788 -0.3344 -0.2247 -0.0765 197 THR H C 4800 O O . THR C 192 ? 1.5875 1.4118 1.6008 -0.3633 -0.2325 -0.0875 197 THR H O 4801 C CB . THR C 192 ? 1.5940 1.3919 1.5943 -0.3281 -0.2197 -0.0018 197 THR H CB 4802 O OG1 . THR C 192 ? 1.6694 1.4089 1.6647 -0.3434 -0.2215 0.0383 197 THR H OG1 4803 C CG2 . THR C 192 ? 1.5196 1.3937 1.5233 -0.3501 -0.2033 0.0056 197 THR H CG2 4804 N N . TRP C 193 ? 1.5145 1.3842 1.5151 -0.3056 -0.2119 -0.0890 198 TRP H N 4805 C CA . TRP C 193 ? 1.4657 1.3882 1.4544 -0.3045 -0.2003 -0.1155 198 TRP H CA 4806 C C . TRP C 193 ? 1.5246 1.4059 1.4930 -0.3041 -0.2072 -0.1582 198 TRP H C 4807 O O . TRP C 193 ? 1.5301 1.4286 1.4805 -0.3228 -0.2124 -0.1715 198 TRP H O 4808 C CB . TRP C 193 ? 1.4083 1.3789 1.4010 -0.2733 -0.1829 -0.1209 198 TRP H CB 4809 C CG . TRP C 193 ? 1.3674 1.3738 1.3428 -0.2680 -0.1665 -0.1491 198 TRP H CG 4810 C CD1 . TRP C 193 ? 1.3178 1.3636 1.2745 -0.2879 -0.1636 -0.1477 198 TRP H CD1 4811 C CD2 . TRP C 193 ? 1.3765 1.3791 1.3499 -0.2388 -0.1478 -0.1805 198 TRP H CD2 4812 N NE1 . TRP C 193 ? 1.3123 1.3718 1.2442 -0.2731 -0.1465 -0.1749 198 TRP H NE1 4813 C CE2 . TRP C 193 ? 1.3504 1.3845 1.2918 -0.2436 -0.1324 -0.1949 198 TRP H CE2 4814 C CE3 . TRP C 193 ? 1.4124 1.3878 1.4109 -0.2072 -0.1401 -0.1965 198 TRP H CE3 4815 C CZ2 . TRP C 193 ? 1.3760 1.4108 1.3016 -0.2193 -0.1042 -0.2223 198 TRP H CZ2 4816 C CZ3 . TRP C 193 ? 1.4211 1.4056 1.4172 -0.1828 -0.1106 -0.2255 198 TRP H CZ3 4817 C CH2 . TRP C 193 ? 1.4137 1.4255 1.3694 -0.1897 -0.0903 -0.2371 198 TRP H CH2 4818 N N . PRO C 194 ? 1.5751 1.3981 1.5413 -0.2801 -0.2093 -0.1812 200 PRO H N 4819 C CA . PRO C 194 ? 1.6376 1.4075 1.5706 -0.2778 -0.2162 -0.2236 200 PRO H CA 4820 C C . PRO C 194 ? 1.6745 1.4052 1.6055 -0.3179 -0.2468 -0.2218 200 PRO H C 4821 O O . PRO C 194 ? 1.6956 1.4250 1.5975 -0.3332 -0.2598 -0.2450 200 PRO H O 4822 C CB . PRO C 194 ? 1.6985 1.4059 1.6406 -0.2445 -0.2137 -0.2409 200 PRO H CB 4823 C CG . PRO C 194 ? 1.6697 1.3905 1.6532 -0.2369 -0.2164 -0.2020 200 PRO H CG 4824 C CD . PRO C 194 ? 1.5815 1.3869 1.5722 -0.2471 -0.2049 -0.1750 200 PRO H CD 4825 N N . SER C 195 ? 1.6860 1.3831 1.6503 -0.3346 -0.2596 -0.1922 202 SER H N 4826 C CA . SER C 195 ? 1.7333 1.3861 1.7157 -0.3758 -0.2874 -0.1863 202 SER H CA 4827 C C . SER C 195 ? 1.6730 1.3923 1.6762 -0.4116 -0.2922 -0.1684 202 SER H C 4828 O O . SER C 195 ? 1.7105 1.4150 1.7167 -0.4382 -0.3192 -0.1885 202 SER H O 4829 C CB . SER C 195 ? 1.7698 1.3747 1.7845 -0.3857 -0.2910 -0.1484 202 SER H CB 4830 O OG . SER C 195 ? 1.8040 1.3585 1.8066 -0.3464 -0.2868 -0.1587 202 SER H OG 4831 N N . GLN C 196 ? 1.5797 1.3699 1.5986 -0.4099 -0.2687 -0.1319 203 GLN H N 4832 C CA . GLN C 196 ? 1.5193 1.3782 1.5668 -0.4389 -0.2663 -0.1084 203 GLN H CA 4833 C C . GLN C 196 ? 1.4386 1.3693 1.4594 -0.4178 -0.2488 -0.1161 203 GLN H C 4834 O O . GLN C 196 ? 1.4016 1.3508 1.4038 -0.3875 -0.2275 -0.1117 203 GLN H O 4835 C CB . GLN C 196 ? 1.5037 1.3772 1.5874 -0.4552 -0.2484 -0.0550 203 GLN H CB 4836 C CG . GLN C 196 ? 1.5858 1.3847 1.6991 -0.4794 -0.2600 -0.0375 203 GLN H CG 4837 C CD . GLN C 196 ? 1.5918 1.3770 1.7053 -0.4754 -0.2354 0.0133 203 GLN H CD 4838 O OE1 . GLN C 196 ? 1.5374 1.3797 1.6471 -0.4721 -0.2100 0.0440 203 GLN H OE1 4839 N NE2 . GLN C 196 ? 1.6585 1.3597 1.7678 -0.4732 -0.2438 0.0222 203 GLN H NE2 4840 N N . THR C 197 ? 1.4178 1.3872 1.4418 -0.4347 -0.2614 -0.1267 205 THR H N 4841 C CA . THR C 197 ? 1.3609 1.3879 1.3533 -0.4158 -0.2482 -0.1365 205 THR H CA 4842 C C . THR C 197 ? 1.2812 1.3786 1.2971 -0.4153 -0.2233 -0.0986 205 THR H C 4843 O O . THR C 197 ? 1.2654 1.3965 1.3248 -0.4405 -0.2243 -0.0720 205 THR H O 4844 C CB . THR C 197 ? 1.3823 1.4178 1.3605 -0.4300 -0.2765 -0.1614 205 THR H CB 4845 O OG1 . THR C 197 ? 1.4891 1.4490 1.4482 -0.4380 -0.3082 -0.1950 205 THR H OG1 4846 C CG2 . THR C 197 ? 1.3567 1.4207 1.2777 -0.4023 -0.2618 -0.1793 205 THR H CG2 4847 N N . VAL C 198 ? 1.2354 1.3529 1.2251 -0.3855 -0.2002 -0.0982 206 VAL H N 4848 C CA . VAL C 198 ? 1.1683 1.3453 1.1650 -0.3792 -0.1790 -0.0705 206 VAL H CA 4849 C C . VAL C 198 ? 1.1317 1.3566 1.1137 -0.3772 -0.1780 -0.0817 206 VAL H C 4850 O O . VAL C 198 ? 1.1568 1.3661 1.1056 -0.3688 -0.1858 -0.1118 206 VAL H O 4851 C CB . VAL C 198 ? 1.1451 1.3202 1.1268 -0.3493 -0.1622 -0.0661 206 VAL H CB 4852 C CG1 . VAL C 198 ? 1.1960 1.3147 1.1851 -0.3448 -0.1689 -0.0574 206 VAL H CG1 4853 C CG2 . VAL C 198 ? 1.1435 1.3234 1.1019 -0.3256 -0.1542 -0.0971 206 VAL H CG2 4854 N N . THR C 199 ? 1.0837 1.3610 1.0843 -0.3826 -0.1667 -0.0561 207 THR H N 4855 C CA . THR C 199 ? 1.0468 1.3700 1.0375 -0.3792 -0.1665 -0.0611 207 THR H CA 4856 C C . THR C 199 ? 0.9941 1.3588 0.9802 -0.3633 -0.1422 -0.0414 207 THR H C 4857 O O . THR C 199 ? 0.9802 1.3512 0.9799 -0.3634 -0.1286 -0.0161 207 THR H O 4858 C CB . THR C 199 ? 1.0550 1.4046 1.0874 -0.4054 -0.1865 -0.0534 207 THR H CB 4859 O OG1 . THR C 199 ? 1.1014 1.4059 1.1414 -0.4235 -0.2165 -0.0734 207 THR H OG1 4860 C CG2 . THR C 199 ? 1.0298 1.4189 1.0467 -0.3975 -0.1933 -0.0609 207 THR H CG2 4861 N N . CYS C 200 ? 0.9760 1.3607 0.9350 -0.3487 -0.1371 -0.0537 208 CYS H N 4862 C CA . CYS C 200 ? 0.9340 1.3549 0.8880 -0.3347 -0.1186 -0.0393 208 CYS H CA 4863 C C . CYS C 200 ? 0.9042 1.3669 0.8746 -0.3422 -0.1230 -0.0283 208 CYS H C 4864 O O . CYS C 200 ? 0.9305 1.3950 0.8997 -0.3504 -0.1429 -0.0406 208 CYS H O 4865 C CB . CYS C 200 ? 0.9312 1.3465 0.8544 -0.3148 -0.1074 -0.0563 208 CYS H CB 4866 S SG . CYS C 200 ? 0.9434 1.3914 0.8639 -0.2992 -0.0896 -0.0418 208 CYS H SG 4867 N N . ASN C 201 ? 0.8622 1.3551 0.8447 -0.3363 -0.1062 -0.0065 209 ASN H N 4868 C CA . ASN C 201 ? 0.8389 1.3764 0.8495 -0.3397 -0.1059 0.0068 209 ASN H CA 4869 C C . ASN C 201 ? 0.8039 1.3621 0.7940 -0.3187 -0.0882 0.0138 209 ASN H C 4870 O O . ASN C 201 ? 0.7987 1.3677 0.7930 -0.3115 -0.0685 0.0319 209 ASN H O 4871 C CB . ASN C 201 ? 0.8477 1.4027 0.9093 -0.3563 -0.0975 0.0310 209 ASN H CB 4872 C CG . ASN C 201 ? 0.8856 1.4133 0.9738 -0.3802 -0.1158 0.0260 209 ASN H CG 4873 O OD1 . ASN C 201 ? 0.9180 1.4203 1.0127 -0.3879 -0.1043 0.0401 209 ASN H OD1 4874 N ND2 . ASN C 201 ? 0.8807 1.4055 0.9779 -0.3912 -0.1471 0.0055 209 ASN H ND2 4875 N N . VAL C 202 ? 0.7882 1.3444 0.7497 -0.3080 -0.0942 -0.0006 210 VAL H N 4876 C CA . VAL C 202 ? 0.7555 1.3232 0.6976 -0.2893 -0.0804 0.0038 210 VAL H CA 4877 C C . VAL C 202 ? 0.7448 1.3496 0.7092 -0.2856 -0.0849 0.0143 210 VAL H C 4878 O O . VAL C 202 ? 0.7584 1.3760 0.7422 -0.2953 -0.1065 0.0110 210 VAL H O 4879 C CB . VAL C 202 ? 0.7551 1.2981 0.6591 -0.2798 -0.0787 -0.0126 210 VAL H CB 4880 C CG1 . VAL C 202 ? 0.7076 1.2553 0.5989 -0.2637 -0.0649 -0.0071 210 VAL H CG1 4881 C CG2 . VAL C 202 ? 0.7525 1.2648 0.6506 -0.2825 -0.0758 -0.0250 210 VAL H CG2 4882 N N . ALA C 203 ? 0.7328 1.3520 0.6952 -0.2696 -0.0676 0.0253 211 ALA H N 4883 C CA . ALA C 203 ? 0.7354 1.3905 0.7232 -0.2596 -0.0684 0.0358 211 ALA H CA 4884 C C . ALA C 203 ? 0.7426 1.3889 0.6992 -0.2366 -0.0547 0.0367 211 ALA H C 4885 O O . ALA C 203 ? 0.7412 1.3672 0.6738 -0.2282 -0.0384 0.0366 211 ALA H O 4886 C CB . ALA C 203 ? 0.7330 1.4244 0.7767 -0.2652 -0.0552 0.0543 211 ALA H CB 4887 N N . HIS C 204 ? 0.7607 1.4161 0.7146 -0.2261 -0.0660 0.0369 212 HIS H N 4888 C CA . HIS C 204 ? 0.7727 1.4136 0.6987 -0.2048 -0.0559 0.0381 212 HIS H CA 4889 C C . HIS C 204 ? 0.7895 1.4655 0.7496 -0.1874 -0.0566 0.0504 212 HIS H C 4890 O O . HIS C 204 ? 0.8013 1.4868 0.7676 -0.1827 -0.0784 0.0523 212 HIS H O 4891 C CB . HIS C 204 ? 0.7881 1.3938 0.6702 -0.2048 -0.0648 0.0289 212 HIS H CB 4892 C CG . HIS C 204 ? 0.7858 1.3662 0.6416 -0.1882 -0.0531 0.0302 212 HIS H CG 4893 N ND1 . HIS C 204 ? 0.7814 1.3436 0.6113 -0.1779 -0.0595 0.0344 212 HIS H ND1 4894 C CD2 . HIS C 204 ? 0.7615 1.3246 0.6098 -0.1801 -0.0386 0.0274 212 HIS H CD2 4895 C CE1 . HIS C 204 ? 0.7917 1.3280 0.6069 -0.1665 -0.0467 0.0351 212 HIS H CE1 4896 N NE2 . HIS C 204 ? 0.7647 1.3012 0.5913 -0.1678 -0.0362 0.0288 212 HIS H NE2 4897 N N . PRO C 205 ? 0.8027 1.4945 0.7812 -0.1744 -0.0324 0.0590 213 PRO H N 4898 C CA . PRO C 205 ? 0.8092 1.5410 0.8341 -0.1549 -0.0235 0.0717 213 PRO H CA 4899 C C . PRO C 205 ? 0.8275 1.5511 0.8399 -0.1359 -0.0408 0.0710 213 PRO H C 4900 O O . PRO C 205 ? 0.8389 1.5991 0.8985 -0.1281 -0.0583 0.0788 213 PRO H O 4901 C CB . PRO C 205 ? 0.8220 1.5384 0.8231 -0.1367 0.0118 0.0742 213 PRO H CB 4902 C CG . PRO C 205 ? 0.8478 1.5072 0.7815 -0.1419 0.0080 0.0595 213 PRO H CG 4903 C CD . PRO C 205 ? 0.8171 1.4743 0.7550 -0.1700 -0.0122 0.0540 213 PRO H CD 4904 N N . ALA C 206 ? 0.8437 1.5168 0.7958 -0.1291 -0.0379 0.0625 214 ALA H N 4905 C CA . ALA C 206 ? 0.8761 1.5252 0.8038 -0.1105 -0.0491 0.0644 214 ALA H CA 4906 C C . ALA C 206 ? 0.8929 1.5534 0.8275 -0.1136 -0.0817 0.0694 214 ALA H C 4907 O O . ALA C 206 ? 0.9097 1.5987 0.8804 -0.0954 -0.0966 0.0789 214 ALA H O 4908 C CB . ALA C 206 ? 0.8926 1.4826 0.7622 -0.1141 -0.0427 0.0550 214 ALA H CB 4909 N N . SER C 207 ? 0.8980 1.5318 0.7940 -0.1339 -0.0937 0.0620 215 SER H N 4910 C CA . SER C 207 ? 0.9341 1.5575 0.8058 -0.1350 -0.1261 0.0638 215 SER H CA 4911 C C . SER C 207 ? 0.9292 1.6016 0.8578 -0.1444 -0.1549 0.0637 215 SER H C 4912 O O . SER C 207 ? 0.9710 1.6390 0.8860 -0.1427 -0.1923 0.0634 215 SER H O 4913 C CB . SER C 207 ? 0.9536 1.5280 0.7600 -0.1513 -0.1221 0.0544 215 SER H CB 4914 O OG . SER C 207 ? 0.9259 1.5133 0.7488 -0.1741 -0.1206 0.0428 215 SER H OG 4915 N N . SER C 208 ? 0.8890 1.6033 0.8794 -0.1544 -0.1384 0.0644 216 SER H N 4916 C CA . SER C 208 ? 0.8768 1.6417 0.9412 -0.1689 -0.1603 0.0661 216 SER H CA 4917 C C . SER C 208 ? 0.8826 1.6229 0.9173 -0.1953 -0.1827 0.0519 216 SER H C 4918 O O . SER C 208 ? 0.9033 1.6632 0.9733 -0.2067 -0.2205 0.0480 216 SER H O 4919 C CB . SER C 208 ? 0.9034 1.7030 1.0158 -0.1513 -0.1960 0.0745 216 SER H CB 4920 O OG . SER C 208 ? 0.9140 1.7143 1.0258 -0.1201 -0.1790 0.0848 216 SER H OG 4921 N N . THR C 209 ? 0.8701 1.5653 0.8427 -0.2033 -0.1609 0.0426 217 THR H N 4922 C CA . THR C 209 ? 0.8774 1.5426 0.8171 -0.2246 -0.1728 0.0271 217 THR H CA 4923 C C . THR C 209 ? 0.8490 1.5288 0.8301 -0.2451 -0.1562 0.0254 217 THR H C 4924 O O . THR C 209 ? 0.8167 1.5032 0.8099 -0.2419 -0.1241 0.0328 217 THR H O 4925 C CB . THR C 209 ? 0.8935 1.5000 0.7475 -0.2204 -0.1574 0.0179 217 THR H CB 4926 O OG1 . THR C 209 ? 0.8811 1.4602 0.7087 -0.2373 -0.1629 0.0017 217 THR H OG1 4927 C CG2 . THR C 209 ? 0.8627 1.4612 0.7135 -0.2148 -0.1195 0.0219 217 THR H CG2 4928 N N . LYS C 210 ? 0.8738 1.5513 0.8703 -0.2649 -0.1822 0.0154 218 LYS H N 4929 C CA . LYS C 210 ? 0.8619 1.5365 0.8848 -0.2863 -0.1711 0.0125 218 LYS H CA 4930 C C . LYS C 210 ? 0.8965 1.5229 0.8690 -0.2978 -0.1909 -0.0094 218 LYS H C 4931 O O . LYS C 210 ? 0.9492 1.5585 0.8925 -0.2969 -0.2256 -0.0214 218 LYS H O 4932 C CB . LYS C 210 ? 0.8530 1.5770 0.9696 -0.3023 -0.1802 0.0251 218 LYS H CB 4933 C CG . LYS C 210 ? 0.8495 1.6243 1.0214 -0.2874 -0.1556 0.0468 218 LYS H CG 4934 C CD . LYS C 210 ? 0.8773 1.7089 1.1574 -0.3029 -0.1674 0.0597 218 LYS H CD 4935 C CE . LYS C 210 ? 0.8708 1.7567 1.2099 -0.2815 -0.1438 0.0795 218 LYS H CE 4936 N NZ . LYS C 210 ? 0.8682 1.8193 1.3322 -0.2955 -0.1566 0.0925 218 LYS H NZ 4937 N N . VAL C 211 ? 0.8827 1.4824 0.8396 -0.3052 -0.1701 -0.0154 219 VAL H N 4938 C CA . VAL C 211 ? 0.9209 1.4706 0.8275 -0.3108 -0.1803 -0.0378 219 VAL H CA 4939 C C . VAL C 211 ? 0.9270 1.4604 0.8574 -0.3269 -0.1735 -0.0420 219 VAL H C 4940 O O . VAL C 211 ? 0.8992 1.4307 0.8352 -0.3232 -0.1461 -0.0343 219 VAL H O 4941 C CB . VAL C 211 ? 0.9265 1.4424 0.7651 -0.2929 -0.1565 -0.0453 219 VAL H CB 4942 C CG1 . VAL C 211 ? 0.9562 1.4222 0.7496 -0.2953 -0.1554 -0.0677 219 VAL H CG1 4943 C CG2 . VAL C 211 ? 0.9282 1.4424 0.7267 -0.2773 -0.1661 -0.0414 219 VAL H CG2 4944 N N . ASP C 212 ? 0.9780 1.4939 0.9192 -0.3437 -0.2040 -0.0552 220 ASP H N 4945 C CA . ASP C 212 ? 0.9998 1.4882 0.9594 -0.3596 -0.2036 -0.0613 220 ASP H CA 4946 C C . ASP C 212 ? 1.0544 1.4836 0.9460 -0.3512 -0.2060 -0.0893 220 ASP H C 4947 O O . ASP C 212 ? 1.1198 1.5170 0.9753 -0.3538 -0.2365 -0.1107 220 ASP H O 4948 C CB . ASP C 212 ? 1.0221 1.5238 1.0464 -0.3860 -0.2355 -0.0586 220 ASP H CB 4949 C CG . ASP C 212 ? 1.0056 1.5716 1.1075 -0.3925 -0.2266 -0.0298 220 ASP H CG 4950 O OD1 . ASP C 212 ? 0.9950 1.5805 1.1022 -0.3820 -0.1883 -0.0095 220 ASP H OD1 4951 O OD2 . ASP C 212 ? 1.0260 1.6217 1.1843 -0.4064 -0.2582 -0.0284 220 ASP H OD2 4952 N N . LYS C 213 ? 1.0382 1.4512 0.9123 -0.3389 -0.1744 -0.0898 221 LYS H N 4953 C CA . LYS C 213 ? 1.0841 1.4476 0.9026 -0.3257 -0.1647 -0.1143 221 LYS H CA 4954 C C . LYS C 213 ? 1.1009 1.4325 0.9390 -0.3305 -0.1612 -0.1220 221 LYS H C 4955 O O . LYS C 213 ? 1.0649 1.4044 0.9278 -0.3239 -0.1399 -0.1110 221 LYS H O 4956 C CB . LYS C 213 ? 1.0592 1.4302 0.8506 -0.3048 -0.1304 -0.1109 221 LYS H CB 4957 C CG . LYS C 213 ? 1.1192 1.4489 0.8381 -0.2895 -0.1202 -0.1317 221 LYS H CG 4958 C CD . LYS C 213 ? 1.1762 1.5016 0.8474 -0.2889 -0.1458 -0.1331 221 LYS H CD 4959 C CE . LYS C 213 ? 1.2764 1.5390 0.8562 -0.2763 -0.1486 -0.1589 221 LYS H CE 4960 N NZ . LYS C 213 ? 1.3047 1.5511 0.8390 -0.2795 -0.1955 -0.1659 221 LYS H NZ 4961 N N . LYS C 214 ? 1.1677 1.4576 0.9915 -0.3407 -0.1874 -0.1423 222 LYS H N 4962 C CA . LYS C 214 ? 1.2033 1.4510 1.0414 -0.3447 -0.1888 -0.1523 222 LYS H CA 4963 C C . LYS C 214 ? 1.2197 1.4385 1.0257 -0.3189 -0.1588 -0.1685 222 LYS H C 4964 O O . LYS C 214 ? 1.2596 1.4540 1.0076 -0.3027 -0.1482 -0.1894 222 LYS H O 4965 C CB . LYS C 214 ? 1.2788 1.4798 1.1054 -0.3615 -0.2276 -0.1747 222 LYS H CB 4966 C CG . LYS C 214 ? 1.2766 1.5087 1.1675 -0.3922 -0.2573 -0.1563 222 LYS H CG 4967 C CD . LYS C 214 ? 1.3733 1.5528 1.2729 -0.4135 -0.2971 -0.1775 222 LYS H CD 4968 C CE . LYS C 214 ? 1.3672 1.5808 1.3594 -0.4479 -0.3157 -0.1519 222 LYS H CE 4969 N NZ . LYS C 214 ? 1.4485 1.6071 1.4632 -0.4735 -0.3561 -0.1712 222 LYS H NZ 4970 N N . ILE C 215 ? 1.1999 1.4209 1.0454 -0.3139 -0.1445 -0.1572 223 ILE H N 4971 C CA . ILE C 215 ? 1.2116 1.4164 1.0532 -0.2889 -0.1171 -0.1696 223 ILE H CA 4972 C C . ILE C 215 ? 1.2924 1.4337 1.1101 -0.2806 -0.1218 -0.1988 223 ILE H C 4973 O O . ILE C 215 ? 1.3102 1.4218 1.1554 -0.2854 -0.1354 -0.1979 223 ILE H O 4974 C CB . ILE C 215 ? 1.1604 1.3880 1.0537 -0.2831 -0.1091 -0.1480 223 ILE H CB 4975 C CG1 . ILE C 215 ? 1.0999 1.3819 1.0049 -0.2850 -0.1006 -0.1252 223 ILE H CG1 4976 C CG2 . ILE C 215 ? 1.1694 1.3812 1.0780 -0.2576 -0.0883 -0.1632 223 ILE H CG2 4977 C CD1 . ILE C 215 ? 1.0770 1.3749 1.0180 -0.2752 -0.0968 -0.1087 223 ILE H CD1 4978 N N . VAL C 216 ? 1.3558 1.4697 1.1142 -0.2659 -0.1083 -0.2243 226 VAL H N 4979 C CA . VAL C 216 ? 1.4479 1.4935 1.1666 -0.2511 -0.1061 -0.2577 226 VAL H CA 4980 C C . VAL C 216 ? 1.4474 1.4920 1.2032 -0.2239 -0.0702 -0.2623 226 VAL H C 4981 O O . VAL C 216 ? 1.3882 1.4824 1.1808 -0.2143 -0.0431 -0.2464 226 VAL H O 4982 C CB . VAL C 216 ? 1.5252 1.5339 1.1499 -0.2400 -0.1003 -0.2833 226 VAL H CB 4983 C CG1 . VAL C 216 ? 1.6210 1.5526 1.1940 -0.2178 -0.0897 -0.3206 226 VAL H CG1 4984 C CG2 . VAL C 216 ? 1.5290 1.5367 1.1256 -0.2653 -0.1471 -0.2816 226 VAL H CG2 4985 N N . PRO C 217 ? 1.5181 1.5054 1.2717 -0.2110 -0.0725 -0.2850 227 PRO H N 4986 C CA . PRO C 217 ? 1.5221 1.5099 1.3199 -0.1807 -0.0388 -0.2917 227 PRO H CA 4987 C C . PRO C 217 ? 1.5538 1.5470 1.3201 -0.1546 0.0123 -0.3073 227 PRO H C 4988 O O . PRO C 217 ? 1.6114 1.5777 1.2932 -0.1544 0.0198 -0.3217 227 PRO H O 4989 C CB . PRO C 217 ? 1.6017 1.5150 1.3903 -0.1721 -0.0557 -0.3159 227 PRO H CB 4990 C CG . PRO C 217 ? 1.6123 1.4992 1.3799 -0.2064 -0.1041 -0.3105 227 PRO H CG 4991 C CD . PRO C 217 ? 1.5896 1.5111 1.3149 -0.2246 -0.1100 -0.3034 227 PRO H CD 4992 N N . GLY C 218 ? 1.5209 1.5481 1.3578 -0.1328 0.0462 -0.3023 228 GLY H N 4993 C CA . GLY C 218 ? 1.5485 1.5875 1.3777 -0.1082 0.1052 -0.3121 228 GLY H CA 4994 C C . GLY C 218 ? 1.5317 1.6008 1.4627 -0.0816 0.1379 -0.3128 228 GLY H C 4995 O O . GLY C 218 ? 1.6048 1.6377 1.5336 -0.0518 0.1722 -0.3376 228 GLY H O 4996 C C1 . NAG D . ? 1.4813 1.2651 1.2325 0.3466 -0.1088 0.1990 301 NAG A C1 4997 C C2 . NAG D . ? 1.6351 1.3219 1.2918 0.3843 -0.1397 0.2096 301 NAG A C2 4998 C C3 . NAG D . ? 1.7437 1.2732 1.2945 0.3674 -0.1423 0.2205 301 NAG A C3 4999 C C4 . NAG D . ? 1.7504 1.2638 1.3030 0.3940 -0.1360 0.2061 301 NAG A C4 5000 C C5 . NAG D . ? 1.6050 1.2493 1.2725 0.3695 -0.1075 0.1927 301 NAG A C5 5001 C C6 . NAG D . ? 1.6137 1.2526 1.2831 0.4059 -0.1038 0.1765 301 NAG A C6 5002 C C7 . NAG D . ? 1.6801 1.4239 1.3363 0.3940 -0.1679 0.2217 301 NAG A C7 5003 C C8 . NAG D . ? 1.7504 1.5111 1.3935 0.4783 -0.1953 0.2098 301 NAG A C8 5004 N N2 . NAG D . ? 1.6217 1.3344 1.2845 0.3558 -0.1435 0.2208 301 NAG A N2 5005 O O3 . NAG D . ? 1.8943 1.3129 1.3400 0.4025 -0.1729 0.2316 301 NAG A O3 5006 O O4 . NAG D . ? 1.8297 1.2061 1.2915 0.3603 -0.1333 0.2154 301 NAG A O4 5007 O O5 . NAG D . ? 1.5007 1.2811 1.2559 0.3807 -0.1061 0.1854 301 NAG A O5 5008 O O6 . NAG D . ? 1.5551 1.1905 1.2466 0.3518 -0.0789 0.1763 301 NAG A O6 5009 O O7 . NAG D . ? 1.6942 1.4561 1.3532 0.3630 -0.1687 0.2311 301 NAG A O7 5010 C C1 . NAG E . ? 1.2998 1.7649 1.4209 0.5043 0.1264 -0.0471 401 NAG A C1 5011 C C2 . NAG E . ? 1.3985 1.7358 1.4475 0.5139 0.1257 -0.0505 401 NAG A C2 5012 C C3 . NAG E . ? 1.4474 1.8197 1.4749 0.5808 0.1319 -0.0804 401 NAG A C3 5013 C C4 . NAG E . ? 1.4864 1.9128 1.5183 0.6569 0.1158 -0.0948 401 NAG A C4 5014 C C5 . NAG E . ? 1.3936 1.9401 1.5021 0.6307 0.1145 -0.0848 401 NAG A C5 5015 C C6 . NAG E . ? 1.4285 2.0234 1.5365 0.7092 0.0937 -0.0980 401 NAG A C6 5016 C C7 . NAG E . ? 1.3346 1.5834 1.3842 0.3947 0.1358 -0.0166 401 NAG A C7 5017 C C8 . NAG E . ? 1.3038 1.5388 1.3548 0.3412 0.1500 -0.0102 401 NAG A C8 5018 N N2 . NAG E . ? 1.3684 1.6797 1.4206 0.4493 0.1409 -0.0399 401 NAG A N2 5019 O O3 . NAG E . ? 1.5327 1.7660 1.4779 0.5965 0.1260 -0.0842 401 NAG A O3 5020 O O4 . NAG E . ? 1.5412 2.0519 1.5769 0.7167 0.1266 -0.1260 401 NAG A O4 5021 O O5 . NAG E . ? 1.3654 1.8306 1.4688 0.5720 0.1062 -0.0558 401 NAG A O5 5022 O O6 . NAG E . ? 1.4347 2.1419 1.5601 0.7692 0.1039 -0.1298 401 NAG A O6 5023 O O7 . NAG E . ? 1.3400 1.5486 1.3852 0.3887 0.1204 -0.0015 401 NAG A O7 5024 C C1 . NAG F . ? 0.5449 0.8227 0.5293 -0.0165 0.1443 0.1245 501 NAG A C1 5025 C C2 . NAG F . ? 0.5333 0.8498 0.5011 -0.0026 0.1595 0.1075 501 NAG A C2 5026 C C3 . NAG F . ? 0.5269 0.8974 0.5214 0.0200 0.1690 0.0946 501 NAG A C3 5027 C C4 . NAG F . ? 0.5203 0.9281 0.5441 -0.0057 0.1718 0.1048 501 NAG A C4 5028 C C5 . NAG F . ? 0.5308 0.8810 0.5609 -0.0212 0.1565 0.1228 501 NAG A C5 5029 C C6 . NAG F . ? 0.5381 0.9064 0.5816 -0.0486 0.1579 0.1330 501 NAG A C6 5030 C C7 . NAG F . ? 0.5444 0.8142 0.4443 0.0099 0.1594 0.0931 501 NAG A C7 5031 C C8 . NAG F . ? 0.5697 0.7836 0.4304 0.0261 0.1520 0.0828 501 NAG A C8 5032 N N2 . NAG F . ? 0.5511 0.8253 0.4864 0.0149 0.1547 0.0982 501 NAG A N2 5033 O O3 . NAG F . ? 0.5467 0.9689 0.5281 0.0365 0.1838 0.0770 501 NAG A O3 5034 O O4 . NAG F . ? 0.5128 0.9711 0.5654 0.0153 0.1763 0.0937 501 NAG A O4 5035 O O5 . NAG F . ? 0.5446 0.8493 0.5474 -0.0350 0.1482 0.1329 501 NAG A O5 5036 O O6 . NAG F . ? 0.5976 0.9912 0.6178 -0.0799 0.1679 0.1363 501 NAG A O6 5037 O O7 . NAG F . ? 0.5385 0.8422 0.4299 -0.0101 0.1691 0.0962 501 NAG A O7 5038 C C1 . NAG G . ? 0.5351 1.0837 0.5956 0.0112 0.1928 0.0814 502 NAG A C1 5039 C C2 . NAG G . ? 0.5581 1.1590 0.6549 0.0236 0.1920 0.0754 502 NAG A C2 5040 C C3 . NAG G . ? 0.6067 1.3244 0.7207 0.0177 0.2085 0.0606 502 NAG A C3 5041 C C4 . NAG G . ? 0.6665 1.4214 0.7642 0.0551 0.2185 0.0401 502 NAG A C4 5042 C C5 . NAG G . ? 0.6389 1.3259 0.6964 0.0377 0.2196 0.0485 502 NAG A C5 5043 C C6 . NAG G . ? 0.6736 1.3862 0.7061 0.0754 0.2296 0.0270 502 NAG A C6 5044 C C7 . NAG G . ? 0.5332 1.0361 0.6472 0.0044 0.1697 0.1009 502 NAG A C7 5045 C C8 . NAG G . ? 0.5136 0.9724 0.6172 0.0465 0.1621 0.0929 502 NAG A C8 5046 N N2 . NAG G . ? 0.5247 1.0916 0.6332 -0.0082 0.1835 0.0931 502 NAG A N2 5047 O O3 . NAG G . ? 0.6275 1.3999 0.7745 0.0370 0.2052 0.0522 502 NAG A O3 5048 O O4 . NAG G . ? 0.7818 1.6628 0.8998 0.0452 0.2355 0.0256 502 NAG A O4 5049 O O5 . NAG G . ? 0.5686 1.1475 0.6118 0.0421 0.2021 0.0624 502 NAG A O5 5050 O O6 . NAG G . ? 0.7082 1.3786 0.7048 0.0466 0.2332 0.0355 502 NAG A O6 5051 O O7 . NAG G . ? 0.5652 1.0411 0.6858 -0.0191 0.1634 0.1139 502 NAG A O7 5052 C C1 . BMA H . ? 0.8951 1.8454 1.0312 0.1066 0.2359 0.0012 503 BMA A C1 5053 C C2 . BMA H . ? 0.9440 2.0425 1.0974 0.1037 0.2568 -0.0198 503 BMA A C2 5054 C C3 . BMA H . ? 1.0053 2.1723 1.1696 0.1831 0.2551 -0.0486 503 BMA A C3 5055 C C4 . BMA H . ? 0.9993 2.1409 1.1833 0.2162 0.2352 -0.0465 503 BMA A C4 5056 C C5 . BMA H . ? 1.0109 2.0031 1.1768 0.1944 0.2182 -0.0201 503 BMA A C5 5057 C C6 . BMA H . ? 1.0474 2.0421 1.2381 0.2129 0.2026 -0.0178 503 BMA A C6 5058 O O2 . BMA H . ? 0.9097 2.0918 1.0944 0.0483 0.2634 -0.0133 503 BMA A O2 5059 O O3 . BMA H . ? 1.0607 2.3946 1.2557 0.1809 0.2734 -0.0697 503 BMA A O3 5060 O O4 . BMA H . ? 1.0320 2.1784 1.1994 0.3003 0.2277 -0.0697 503 BMA A O4 5061 O O5 . BMA H . ? 0.9198 1.8814 1.0854 0.1220 0.2236 0.0022 503 BMA A O5 5062 O O6 . BMA H . ? 1.1485 2.0071 1.3118 0.2256 0.1858 -0.0038 503 BMA A O6 5063 C C1 . MAN I . ? 1.2191 2.0820 1.4072 0.2236 0.1737 0.0030 504 MAN A C1 5064 C C2 . MAN I . ? 1.2700 1.9994 1.4252 0.2438 0.1569 0.0140 504 MAN A C2 5065 C C3 . MAN I . ? 1.2648 1.9032 1.4064 0.1951 0.1577 0.0351 504 MAN A C3 5066 C C4 . MAN I . ? 1.2305 1.9058 1.4030 0.1337 0.1645 0.0496 504 MAN A C4 5067 C C5 . MAN I . ? 1.2210 2.0197 1.4179 0.1152 0.1791 0.0388 504 MAN A C5 5068 C C6 . MAN I . ? 1.1993 2.0190 1.4136 0.0526 0.1822 0.0533 504 MAN A C6 5069 O O2 . MAN I . ? 1.2751 2.0092 1.4484 0.2493 0.1451 0.0181 504 MAN A O2 5070 O O3 . MAN I . ? 1.2863 1.8248 1.4063 0.2043 0.1436 0.0449 504 MAN A O3 5071 O O4 . MAN I . ? 1.2358 1.8425 1.3898 0.0993 0.1660 0.0647 504 MAN A O4 5072 O O5 . MAN I . ? 1.2077 2.0958 1.4236 0.1593 0.1779 0.0188 504 MAN A O5 5073 O O6 . MAN I . ? 1.1934 2.1397 1.4311 0.0339 0.1940 0.0410 504 MAN A O6 5074 C C1 . MAN J . ? 1.1410 2.5148 1.3176 0.2534 0.2794 -0.0984 505 MAN A C1 5075 C C2 . MAN J . ? 1.1498 2.7214 1.3711 0.2741 0.2932 -0.1263 505 MAN A C2 5076 C C3 . MAN J . ? 1.1531 2.8355 1.3929 0.1888 0.3182 -0.1222 505 MAN A C3 5077 C C4 . MAN J . ? 1.1875 2.7928 1.3785 0.1559 0.3314 -0.1130 505 MAN A C4 5078 C C5 . MAN J . ? 1.1854 2.5890 1.3365 0.1524 0.3110 -0.0862 505 MAN A C5 5079 C C6 . MAN J . ? 1.2218 2.5459 1.3229 0.1231 0.3198 -0.0767 505 MAN A C6 5080 O O2 . MAN J . ? 1.2052 2.8147 1.4053 0.3577 0.2972 -0.1572 505 MAN A O2 5081 O O3 . MAN J . ? 1.1718 3.0532 1.4493 0.2101 0.3349 -0.1530 505 MAN A O3 5082 O O4 . MAN J . ? 1.1890 2.8625 1.3840 0.0653 0.3506 -0.1018 505 MAN A O4 5083 O O5 . MAN J . ? 1.1864 2.5224 1.3241 0.2348 0.2931 -0.0978 505 MAN A O5 5084 O O6 . MAN J . ? 1.2011 2.3824 1.2825 0.0825 0.3035 -0.0451 505 MAN A O6 5085 C C1 . FUC K . ? 0.6267 1.0425 0.6505 -0.1114 0.1719 0.1426 506 FUC A C1 5086 C C2 . FUC K . ? 0.6751 1.1055 0.6604 -0.1530 0.1822 0.1480 506 FUC A C2 5087 C C3 . FUC K . ? 0.7163 1.0607 0.6565 -0.1667 0.1688 0.1659 506 FUC A C3 5088 C C4 . FUC K . ? 0.7165 0.9935 0.6554 -0.1636 0.1510 0.1792 506 FUC A C4 5089 C C5 . FUC K . ? 0.6613 0.9470 0.6490 -0.1243 0.1452 0.1706 506 FUC A C5 5090 C C6 . FUC K . ? 0.6638 0.8946 0.6521 -0.1201 0.1303 0.1810 506 FUC A C6 5091 O O2 . FUC K . ? 0.6868 1.1777 0.6739 -0.1405 0.1967 0.1323 506 FUC A O2 5092 O O3 . FUC K . ? 0.7600 1.1046 0.6530 -0.2112 0.1772 0.1736 506 FUC A O3 5093 O O4 . FUC K . ? 0.7410 1.0160 0.6626 -0.1994 0.1544 0.1852 506 FUC A O4 5094 O O5 . FUC K . ? 0.6287 0.9847 0.6501 -0.1183 0.1578 0.1564 506 FUC A O5 # 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 ARG 1 -1 ? ? ? A . n A 1 2 SER 2 0 ? ? ? A . n A 1 3 GLN 3 1 ? ? ? A . n A 1 4 GLY 4 2 ? ? ? A . n A 1 5 LEU 5 3 ? ? ? A . n A 1 6 PRO 6 4 ? ? ? A . n A 1 7 GLY 7 5 ? ? ? A . n A 1 8 LEU 8 6 ? ? ? A . n A 1 9 THR 9 7 ? ? ? A . n A 1 10 VAL 10 8 8 VAL VAL A . n A 1 11 SER 11 9 9 SER SER A . n A 1 12 SER 12 10 10 SER SER A . n A 1 13 PRO 13 11 11 PRO PRO A . n A 1 14 GLN 14 12 12 GLN GLN A . n A 1 15 LEU 15 13 13 LEU LEU A . n A 1 16 ARG 16 14 14 ARG ARG A . n A 1 17 VAL 17 15 15 VAL VAL A . n A 1 18 HIS 18 16 16 HIS HIS A . n A 1 19 VAL 19 17 17 VAL VAL A . n A 1 20 GLY 20 18 18 GLY GLY A . n A 1 21 GLU 21 19 19 GLU GLU A . n A 1 22 SER 22 20 20 SER SER A . n A 1 23 VAL 23 21 21 VAL VAL A . n A 1 24 LEU 24 22 22 LEU LEU A . n A 1 25 MET 25 23 23 MET MET A . n A 1 26 GLY 26 24 24 GLY GLY A . n A 1 27 CYS 27 25 25 CYS CYS A . n A 1 28 VAL 28 26 26 VAL VAL A . n A 1 29 VAL 29 27 27 VAL VAL A . n A 1 30 GLN 30 28 28 GLN GLN A . n A 1 31 ARG 31 29 29 ARG ARG A . n A 1 32 THR 32 30 30 THR THR A . n A 1 33 GLU 33 31 31 GLU GLU A . n A 1 34 GLU 34 32 32 GLU GLU A . n A 1 35 LYS 35 33 33 LYS LYS A . n A 1 36 HIS 36 34 34 HIS HIS A . n A 1 37 VAL 37 35 35 VAL VAL A . n A 1 38 ASP 38 36 36 ASP ASP A . n A 1 39 ARG 39 37 37 ARG ARG A . n A 1 40 VAL 40 38 38 VAL VAL A . n A 1 41 ASP 41 39 39 ASP ASP A . n A 1 42 TRP 42 40 40 TRP TRP A . n A 1 43 LEU 43 41 41 LEU LEU A . n A 1 44 PHE 44 42 42 PHE PHE A . n A 1 45 SER 45 43 43 SER SER A . n A 1 46 LYS 46 44 44 LYS LYS A . n A 1 47 ASP 47 45 45 ASP ASP A . n A 1 48 LYS 48 46 46 LYS LYS A . n A 1 49 ASP 49 47 47 ASP ASP A . n A 1 50 ASP 50 48 48 ASP ASP A . n A 1 51 ALA 51 49 49 ALA ALA A . n A 1 52 SER 52 50 50 SER SER A . n A 1 53 GLU 53 51 51 GLU GLU A . n A 1 54 TYR 54 52 52 TYR TYR A . n A 1 55 VAL 55 53 53 VAL VAL A . n A 1 56 LEU 56 54 54 LEU LEU A . n A 1 57 PHE 57 55 55 PHE PHE A . n A 1 58 TYR 58 56 56 TYR TYR A . n A 1 59 TYR 59 57 57 TYR TYR A . n A 1 60 SER 60 58 58 SER SER A . n A 1 61 ASN 61 59 59 ASN ASN A . n A 1 62 LEU 62 60 60 LEU LEU A . n A 1 63 SER 63 61 61 SER SER A . n A 1 64 VAL 64 62 62 VAL VAL A . n A 1 65 PRO 65 63 63 PRO PRO A . n A 1 66 THR 66 64 64 THR THR A . n A 1 67 GLY 67 65 65 GLY GLY A . n A 1 68 ARG 68 66 66 ARG ARG A . n A 1 69 PHE 69 67 67 PHE PHE A . n A 1 70 GLN 70 68 68 GLN GLN A . n A 1 71 ASN 71 69 69 ASN ASN A . n A 1 72 ARG 72 70 70 ARG ARG A . n A 1 73 SER 73 71 71 SER SER A . n A 1 74 HIS 74 72 72 HIS HIS A . n A 1 75 LEU 75 73 73 LEU LEU A . n A 1 76 VAL 76 74 74 VAL VAL A . n A 1 77 GLY 77 75 75 GLY GLY A . n A 1 78 ASP 78 76 76 ASP ASP A . n A 1 79 THR 79 77 77 THR THR A . n A 1 80 PHE 80 78 78 PHE PHE A . n A 1 81 HIS 81 79 79 HIS HIS A . n A 1 82 ASN 82 80 80 ASN ASN A . n A 1 83 ASP 83 81 81 ASP ASP A . n A 1 84 GLY 84 82 82 GLY GLY A . n A 1 85 SER 85 83 83 SER SER A . n A 1 86 LEU 86 84 84 LEU LEU A . n A 1 87 LEU 87 85 85 LEU LEU A . n A 1 88 LEU 88 86 86 LEU LEU A . n A 1 89 GLN 89 87 87 GLN GLN A . n A 1 90 ASP 90 88 88 ASP ASP A . n A 1 91 VAL 91 89 89 VAL VAL A . n A 1 92 GLN 92 90 90 GLN GLN A . n A 1 93 LYS 93 91 91 LYS LYS A . n A 1 94 ALA 94 92 92 ALA ALA A . n A 1 95 ASP 95 93 93 ASP ASP A . n A 1 96 GLU 96 94 94 GLU GLU A . n A 1 97 GLY 97 95 95 GLY GLY A . n A 1 98 ILE 98 96 96 ILE ILE A . n A 1 99 TYR 99 97 97 TYR TYR A . n A 1 100 THR 100 98 98 THR THR A . n A 1 101 CYS 101 99 99 CYS CYS A . n A 1 102 GLU 102 100 100 GLU GLU A . n A 1 103 ILE 103 101 101 ILE ILE A . n A 1 104 ARG 104 102 102 ARG ARG A . n A 1 105 LEU 105 103 103 LEU LEU A . n A 1 106 LYS 106 104 104 LYS LYS A . n A 1 107 ASN 107 105 105 ASN ASN A . n A 1 108 GLU 108 106 106 GLU GLU A . n A 1 109 SER 109 107 107 SER SER A . n A 1 110 MET 110 108 108 MET MET A . n A 1 111 VAL 111 109 109 VAL VAL A . n A 1 112 MET 112 110 110 MET MET A . n A 1 113 LYS 113 111 111 LYS LYS A . n A 1 114 LYS 114 112 112 LYS LYS A . n A 1 115 PRO 115 113 113 PRO PRO A . n A 1 116 VAL 116 114 114 VAL VAL A . n A 1 117 GLU 117 115 115 GLU GLU A . n A 1 118 LEU 118 116 116 LEU LEU A . n A 1 119 TRP 119 117 117 TRP TRP A . n A 1 120 VAL 120 118 118 VAL VAL A . n A 1 121 LEU 121 119 119 LEU LEU A . n A 1 122 PRO 122 120 120 PRO PRO A . n A 1 123 GLU 123 121 121 GLU GLU A . n A 1 124 GLU 124 122 122 GLU GLU A . n A 1 125 PRO 125 123 123 PRO PRO A . n A 1 126 ARG 126 124 124 ARG ARG A . n A 1 127 ASP 127 125 125 ASP ASP A . n A 1 128 LEU 128 126 126 LEU LEU A . n A 1 129 ARG 129 127 127 ARG ARG A . n A 1 130 VAL 130 128 128 VAL VAL A . n A 1 131 ARG 131 129 129 ARG ARG A . n A 1 132 VAL 132 130 130 VAL VAL A . n A 1 133 GLY 133 131 131 GLY GLY A . n A 1 134 ASP 134 132 132 ASP ASP A . n A 1 135 THR 135 133 133 THR THR A . n A 1 136 THR 136 134 134 THR THR A . n A 1 137 GLN 137 135 135 GLN GLN A . n A 1 138 MET 138 136 136 MET MET A . n A 1 139 ARG 139 137 137 ARG ARG A . n A 1 140 CYS 140 138 138 CYS CYS A . n A 1 141 SER 141 139 139 SER SER A . n A 1 142 ILE 142 140 140 ILE ILE A . n A 1 143 GLN 143 141 141 GLN GLN A . n A 1 144 SER 144 142 142 SER SER A . n A 1 145 THR 145 143 143 THR THR A . n A 1 146 GLU 146 144 144 GLU GLU A . n A 1 147 GLU 147 145 145 GLU GLU A . n A 1 148 LYS 148 146 146 LYS LYS A . n A 1 149 ARG 149 147 147 ARG ARG A . n A 1 150 VAL 150 148 148 VAL VAL A . n A 1 151 THR 151 149 149 THR THR A . n A 1 152 LYS 152 150 150 LYS LYS A . n A 1 153 VAL 153 151 151 VAL VAL A . n A 1 154 ASN 154 152 152 ASN ASN A . n A 1 155 TRP 155 153 153 TRP TRP A . n A 1 156 MET 156 154 154 MET MET A . n A 1 157 PHE 157 155 155 PHE PHE A . n A 1 158 SER 158 156 156 SER SER A . n A 1 159 SER 159 157 157 SER SER A . n A 1 160 GLY 160 158 158 GLY GLY A . n A 1 161 SER 161 159 159 SER SER A . n A 1 162 HIS 162 160 160 HIS HIS A . n A 1 163 THR 163 161 161 THR THR A . n A 1 164 GLU 164 162 162 GLU GLU A . n A 1 165 GLU 165 163 163 GLU GLU A . n A 1 166 GLU 166 164 164 GLU GLU A . n A 1 167 THR 167 165 165 THR THR A . n A 1 168 VAL 168 166 166 VAL VAL A . n A 1 169 LEU 169 167 167 LEU LEU A . n A 1 170 SER 170 168 168 SER SER A . n A 1 171 TYR 171 169 169 TYR TYR A . n A 1 172 ASP 172 170 170 ASP ASP A . n A 1 173 SER 173 171 171 SER SER A . n A 1 174 ASN 174 172 172 ASN ASN A . n A 1 175 MET 175 173 173 MET MET A . n A 1 176 ARG 176 174 174 ARG ARG A . n A 1 177 SER 177 175 175 SER SER A . n A 1 178 GLY 178 176 176 GLY GLY A . n A 1 179 LYS 179 177 177 LYS LYS A . n A 1 180 PHE 180 178 178 PHE PHE A . n A 1 181 GLN 181 179 179 GLN GLN A . n A 1 182 SER 182 180 180 SER SER A . n A 1 183 LEU 183 181 181 LEU LEU A . n A 1 184 GLY 184 182 182 GLY GLY A . n A 1 185 ARG 185 183 183 ARG ARG A . n A 1 186 PHE 186 184 184 PHE PHE A . n A 1 187 ARG 187 185 185 ARG ARG A . n A 1 188 ASN 188 186 186 ASN ASN A . n A 1 189 ARG 189 187 187 ARG ARG A . n A 1 190 VAL 190 188 188 VAL VAL A . n A 1 191 ASP 191 189 189 ASP ASP A . n A 1 192 LEU 192 190 190 LEU LEU A . n A 1 193 THR 193 191 191 THR THR A . n A 1 194 GLY 194 192 192 GLY GLY A . n A 1 195 ASP 195 193 193 ASP ASP A . n A 1 196 ILE 196 194 194 ILE ILE A . n A 1 197 SER 197 195 195 SER SER A . n A 1 198 ARG 198 196 196 ARG ARG A . n A 1 199 ASN 199 197 197 ASN ASN A . n A 1 200 ASP 200 198 198 ASP ASP A . n A 1 201 GLY 201 199 199 GLY GLY A . n A 1 202 SER 202 200 200 SER SER A . n A 1 203 ILE 203 201 201 ILE ILE A . n A 1 204 LYS 204 202 202 LYS LYS A . n A 1 205 LEU 205 203 203 LEU LEU A . n A 1 206 GLN 206 204 204 GLN GLN A . n A 1 207 THR 207 205 205 THR THR A . n A 1 208 VAL 208 206 206 VAL VAL A . n A 1 209 LYS 209 207 207 LYS LYS A . n A 1 210 GLU 210 208 208 GLU GLU A . n A 1 211 SER 211 209 209 SER SER A . n A 1 212 ASP 212 210 210 ASP ASP A . n A 1 213 GLN 213 211 211 GLN GLN A . n A 1 214 GLY 214 212 212 GLY GLY A . n A 1 215 ILE 215 213 213 ILE ILE A . n A 1 216 TYR 216 214 214 TYR TYR A . n A 1 217 THR 217 215 215 THR THR A . n A 1 218 CYS 218 216 216 CYS CYS A . n A 1 219 SER 219 217 217 SER SER A . n A 1 220 ILE 220 218 218 ILE ILE A . n A 1 221 TYR 221 219 219 TYR TYR A . n A 1 222 VAL 222 220 220 VAL VAL A . n A 1 223 GLY 223 221 221 GLY GLY A . n A 1 224 LYS 224 222 222 LYS LYS A . n A 1 225 LEU 225 223 223 LEU LEU A . n A 1 226 GLU 226 224 224 GLU GLU A . n A 1 227 SER 227 225 225 SER SER A . n A 1 228 ARG 228 226 226 ARG ARG A . n A 1 229 LYS 229 227 227 LYS LYS A . n A 1 230 THR 230 228 228 THR THR A . n A 1 231 ILE 231 229 229 ILE ILE A . n A 1 232 VAL 232 230 230 VAL VAL A . n A 1 233 LEU 233 231 231 LEU LEU A . n A 1 234 HIS 234 232 232 HIS HIS A . n A 1 235 VAL 235 233 233 VAL VAL A . n A 1 236 VAL 236 234 234 VAL VAL A . n A 1 237 GLN 237 235 235 GLN GLN A . n A 1 238 ASP 238 236 236 ASP ASP A . n A 1 239 GLU 239 237 ? ? ? A . n A 1 240 PHE 240 238 ? ? ? A . n A 1 241 GLN 241 239 ? ? ? A . n A 1 242 ARG 242 240 ? ? ? A . n A 1 243 THR 243 241 ? ? ? A . n A 1 244 ILE 244 242 ? ? ? A . n A 1 245 SER 245 243 ? ? ? A . n A 1 246 PRO 246 244 ? ? ? A . n A 1 247 THR 247 245 ? ? ? A . n A 1 248 PRO 248 246 ? ? ? A . n A 1 249 PRO 249 247 ? ? ? A . n A 1 250 THR 250 248 ? ? ? A . n A 1 251 ASP 251 249 ? ? ? A . n A 1 252 LYS 252 250 ? ? ? A . n A 1 253 GLY 253 251 ? ? ? A . n A 1 254 GLN 254 252 ? ? ? A . n A 1 255 GLN 255 253 ? ? ? A . n A 1 256 GLY 256 254 ? ? ? A . n A 1 257 ILE 257 255 ? ? ? A . n A 1 258 LEU 258 256 ? ? ? A . n A 1 259 ASN 259 257 ? ? ? A . n A 1 260 GLY 260 258 ? ? ? A . n A 1 261 ASN 261 259 ? ? ? A . n A 1 262 GLN 262 260 ? ? ? A . n A 1 263 HIS 263 261 ? ? ? A . n A 1 264 HIS 264 262 ? ? ? A . n A 1 265 HIS 265 263 ? ? ? A . n A 1 266 HIS 266 264 ? ? ? A . n A 1 267 HIS 267 265 ? ? ? A . n A 1 268 HIS 268 266 ? ? ? A . n B 2 1 SER 1 1 ? ? ? L . n B 2 2 TYR 2 2 2 TYR TYR L . n B 2 3 THR 3 3 3 THR THR L . n B 2 4 LEU 4 4 4 LEU LEU L . n B 2 5 THR 5 5 5 THR THR L . n B 2 6 GLN 6 6 6 GLN GLN L . n B 2 7 PRO 7 7 7 PRO PRO L . n B 2 8 PRO 8 8 8 PRO PRO L . n B 2 9 LEU 9 9 9 LEU LEU L . n B 2 10 VAL 10 11 11 VAL VAL L . n B 2 11 SER 11 12 12 SER SER L . n B 2 12 VAL 12 13 13 VAL VAL L . n B 2 13 ALA 13 14 14 ALA ALA L . n B 2 14 LEU 14 15 15 LEU LEU L . n B 2 15 GLY 15 16 16 GLY GLY L . n B 2 16 GLN 16 17 17 GLN GLN L . n B 2 17 LYS 17 18 18 LYS LYS L . n B 2 18 ALA 18 19 19 ALA ALA L . n B 2 19 THR 19 20 20 THR THR L . n B 2 20 ILE 20 21 21 ILE ILE L . n B 2 21 THR 21 22 22 THR THR L . n B 2 22 CYS 22 23 23 CYS CYS L . n B 2 23 SER 23 24 24 SER SER L . n B 2 24 GLY 24 25 25 GLY GLY L . n B 2 25 ASP 25 26 26 ASP ASP L . n B 2 26 LYS 26 27 27 LYS LYS L . n B 2 27 LEU 27 28 28 LEU LEU L . n B 2 28 SER 28 29 29 SER SER L . n B 2 29 ASP 29 30 30 ASP ASP L . n B 2 30 VAL 30 31 31 VAL VAL L . n B 2 31 TYR 31 32 32 TYR TYR L . n B 2 32 VAL 32 33 33 VAL VAL L . n B 2 33 HIS 33 34 34 HIS HIS L . n B 2 34 TRP 34 35 35 TRP TRP L . n B 2 35 TYR 35 36 36 TYR TYR L . n B 2 36 GLN 36 37 37 GLN GLN L . n B 2 37 GLN 37 38 38 GLN GLN L . n B 2 38 LYS 38 39 39 LYS LYS L . n B 2 39 ALA 39 40 40 ALA ALA L . n B 2 40 GLY 40 41 41 GLY GLY L . n B 2 41 GLN 41 42 42 GLN GLN L . n B 2 42 ALA 42 43 43 ALA ALA L . n B 2 43 PRO 43 44 44 PRO PRO L . n B 2 44 VAL 44 45 45 VAL VAL L . n B 2 45 LEU 45 46 46 LEU LEU L . n B 2 46 VAL 46 47 47 VAL VAL L . n B 2 47 ILE 47 48 48 ILE ILE L . n B 2 48 TYR 48 49 49 TYR TYR L . n B 2 49 GLU 49 50 50 GLU GLU L . n B 2 50 ASP 50 51 51 ASP ASP L . n B 2 51 ASN 51 52 52 ASN ASN L . n B 2 52 ARG 52 53 53 ARG ARG L . n B 2 53 ARG 53 54 54 ARG ARG L . n B 2 54 PRO 54 55 55 PRO PRO L . n B 2 55 SER 55 56 56 SER SER L . n B 2 56 GLY 56 57 57 GLY GLY L . n B 2 57 ILE 57 58 58 ILE ILE L . n B 2 58 PRO 58 59 59 PRO PRO L . n B 2 59 ASP 59 60 60 ASP ASP L . n B 2 60 HIS 60 61 61 HIS HIS L . n B 2 61 PHE 61 62 62 PHE PHE L . n B 2 62 SER 62 63 63 SER SER L . n B 2 63 GLY 63 64 64 GLY GLY L . n B 2 64 SER 64 65 65 SER SER L . n B 2 65 ASN 65 66 66 ASN ASN L . n B 2 66 SER 66 67 67 SER SER L . n B 2 67 GLY 67 68 68 GLY GLY L . n B 2 68 ASN 68 69 69 ASN ASN L . n B 2 69 MET 69 70 70 MET MET L . n B 2 70 ALA 70 71 71 ALA ALA L . n B 2 71 THR 71 72 72 THR THR L . n B 2 72 LEU 72 73 73 LEU LEU L . n B 2 73 THR 73 74 74 THR THR L . n B 2 74 ILE 74 75 75 ILE ILE L . n B 2 75 SER 75 76 76 SER SER L . n B 2 76 LYS 76 77 77 LYS LYS L . n B 2 77 ALA 77 78 78 ALA ALA L . n B 2 78 GLN 78 79 79 GLN GLN L . n B 2 79 ALA 79 80 80 ALA ALA L . n B 2 80 GLY 80 81 81 GLY GLY L . n B 2 81 ASP 81 82 82 ASP ASP L . n B 2 82 GLU 82 83 83 GLU GLU L . n B 2 83 ALA 83 84 84 ALA ALA L . n B 2 84 ASP 84 85 85 ASP ASP L . n B 2 85 TYR 85 86 86 TYR TYR L . n B 2 86 TYR 86 87 87 TYR TYR L . n B 2 87 CYS 87 88 88 CYS CYS L . n B 2 88 GLN 88 89 89 GLN GLN L . n B 2 89 SER 89 90 90 SER SER L . n B 2 90 TRP 90 91 91 TRP TRP L . n B 2 91 ASP 91 92 92 ASP ASP L . n B 2 92 GLY 92 93 93 GLY GLY L . n B 2 93 THR 93 94 94 THR THR L . n B 2 94 ASN 94 95 95 ASN ASN L . n B 2 95 SER 95 95 95 SER SER L A n B 2 96 ALA 96 95 95 ALA ALA L B n B 2 97 TRP 97 96 96 TRP TRP L . n B 2 98 VAL 98 97 97 VAL VAL L . n B 2 99 PHE 99 98 98 PHE PHE L . n B 2 100 GLY 100 99 99 GLY GLY L . n B 2 101 SER 101 100 100 SER SER L . n B 2 102 GLY 102 101 101 GLY GLY L . n B 2 103 THR 103 102 102 THR THR L . n B 2 104 LYS 104 103 103 LYS LYS L . n B 2 105 VAL 105 104 104 VAL VAL L . n B 2 106 THR 106 105 105 THR THR L . n B 2 107 VAL 107 106 106 VAL VAL L . n B 2 108 LEU 108 106 106 LEU LEU L A n B 2 109 GLY 109 107 107 GLY GLY L . n B 2 110 GLN 110 108 108 GLN GLN L . n B 2 111 PRO 111 109 109 PRO PRO L . n B 2 112 ASN 112 110 110 ASN ASN L . n B 2 113 ALA 113 111 111 ALA ALA L . n B 2 114 ALA 114 112 112 ALA ALA L . n B 2 115 PRO 115 113 113 PRO PRO L . n B 2 116 SER 116 114 114 SER SER L . n B 2 117 VAL 117 115 115 VAL VAL L . n B 2 118 THR 118 116 116 THR THR L . n B 2 119 LEU 119 117 117 LEU LEU L . n B 2 120 PHE 120 118 118 PHE PHE L . n B 2 121 PRO 121 119 119 PRO PRO L . n B 2 122 PRO 122 120 120 PRO PRO L . n B 2 123 SER 123 121 121 SER SER L . n B 2 124 SER 124 122 122 SER SER L . n B 2 125 GLU 125 123 123 GLU GLU L . n B 2 126 GLU 126 124 124 GLU GLU L . n B 2 127 LEU 127 125 125 LEU LEU L . n B 2 128 LYS 128 126 126 LYS LYS L . n B 2 129 THR 129 127 127 THR THR L . n B 2 130 ASN 130 128 128 ASN ASN L . n B 2 131 GLN 131 129 129 GLN GLN L . n B 2 132 ALA 132 130 130 ALA ALA L . n B 2 133 THR 133 131 131 THR THR L . n B 2 134 LEU 134 132 132 LEU LEU L . n B 2 135 VAL 135 133 133 VAL VAL L . n B 2 136 CYS 136 134 134 CYS CYS L . n B 2 137 MET 137 135 135 MET MET L . n B 2 138 ILE 138 136 136 ILE ILE L . n B 2 139 ASN 139 137 137 ASN ASN L . n B 2 140 GLY 140 138 138 GLY GLY L . n B 2 141 PHE 141 139 139 PHE PHE L . n B 2 142 TYR 142 140 140 TYR TYR L . n B 2 143 PRO 143 141 141 PRO PRO L . n B 2 144 ALA 144 142 142 ALA ALA L . n B 2 145 ASP 145 143 143 ASP ASP L . n B 2 146 VAL 146 144 144 VAL VAL L . n B 2 147 ALA 147 145 145 ALA ALA L . n B 2 148 VAL 148 146 146 VAL VAL L . n B 2 149 THR 149 147 147 THR THR L . n B 2 150 TRP 150 148 148 TRP TRP L . n B 2 151 GLU 151 149 149 GLU GLU L . n B 2 152 ALA 152 150 150 ALA ALA L . n B 2 153 ASP 153 151 151 ASP ASP L . n B 2 154 GLY 154 152 152 GLY GLY L . n B 2 155 THR 155 153 153 THR THR L . n B 2 156 PRO 156 154 154 PRO PRO L . n B 2 157 ILE 157 155 155 ILE ILE L . n B 2 158 THR 158 156 156 THR THR L . n B 2 159 GLN 159 157 157 GLN GLN L . n B 2 160 GLY 160 158 158 GLY GLY L . n B 2 161 VAL 161 159 159 VAL VAL L . n B 2 162 LYS 162 160 160 LYS LYS L . n B 2 163 THR 163 161 161 THR THR L . n B 2 164 THR 164 162 162 THR THR L . n B 2 165 GLN 165 163 163 GLN GLN L . n B 2 166 PRO 166 164 164 PRO PRO L . n B 2 167 SER 167 165 165 SER SER L . n B 2 168 LYS 168 166 166 LYS LYS L . n B 2 169 SER 169 168 168 SER SER L . n B 2 170 ASP 170 170 170 ASP ASP L . n B 2 171 SER 171 171 171 SER SER L . n B 2 172 LYS 172 172 172 LYS LYS L . n B 2 173 TYR 173 173 173 TYR TYR L . n B 2 174 MET 174 174 174 MET MET L . n B 2 175 ALA 175 175 175 ALA ALA L . n B 2 176 THR 176 176 176 THR THR L . n B 2 177 SER 177 177 177 SER SER L . n B 2 178 TYR 178 178 178 TYR TYR L . n B 2 179 LEU 179 179 179 LEU LEU L . n B 2 180 THR 180 180 180 THR THR L . n B 2 181 MET 181 181 181 MET MET L . n B 2 182 THR 182 182 182 THR THR L . n B 2 183 ALA 183 183 183 ALA ALA L . n B 2 184 ASP 184 184 184 ASP ASP L . n B 2 185 ALA 185 185 185 ALA ALA L . n B 2 186 TRP 186 186 186 TRP TRP L . n B 2 187 LYS 187 187 187 LYS LYS L . n B 2 188 SER 188 188 188 SER SER L . n B 2 189 ARG 189 189 189 ARG ARG L . n B 2 190 ASN 190 190 190 ASN ASN L . n B 2 191 THR 191 191 191 THR THR L . n B 2 192 PHE 192 192 192 PHE PHE L . n B 2 193 ILE 193 193 193 ILE ILE L . n B 2 194 CYS 194 194 194 CYS CYS L . n B 2 195 LYS 195 195 195 LYS LYS L . n B 2 196 VAL 196 196 196 VAL VAL L . n B 2 197 THR 197 197 197 THR THR L . n B 2 198 HIS 198 198 198 HIS HIS L . n B 2 199 GLY 199 199 199 GLY GLY L . n B 2 200 GLY 200 200 200 GLY GLY L . n B 2 201 ASN 201 203 203 ASN ASN L . n B 2 202 THR 202 204 204 THR THR L . n B 2 203 VAL 203 205 205 VAL VAL L . n B 2 204 GLU 204 206 206 GLU GLU L . n B 2 205 LYS 205 207 207 LYS LYS L . n B 2 206 SER 206 208 208 SER SER L . n B 2 207 LEU 207 209 209 LEU LEU L . n B 2 208 SER 208 210 210 SER SER L . n B 2 209 PRO 209 211 211 PRO PRO L . n B 2 210 SER 210 212 212 SER SER L . n B 2 211 ALA 211 213 ? ? ? L . n B 2 212 CYS 212 214 ? ? ? L . n B 2 213 SER 213 215 ? ? ? L . n C 3 1 GLN 1 1 1 GLN GLN H . n C 3 2 VAL 2 2 2 VAL VAL H . n C 3 3 GLN 3 3 3 GLN GLN H . n C 3 4 LEU 4 4 4 LEU LEU H . n C 3 5 LYS 5 5 5 LYS LYS H . n C 3 6 GLU 6 6 6 GLU GLU H . n C 3 7 SER 7 7 7 SER SER H . n C 3 8 GLY 8 8 8 GLY GLY H . n C 3 9 PRO 9 9 9 PRO PRO H . n C 3 10 GLY 10 10 10 GLY GLY H . n C 3 11 LEU 11 11 11 LEU LEU H . n C 3 12 LEU 12 12 12 LEU LEU H . n C 3 13 GLN 13 13 13 GLN GLN H . n C 3 14 PRO 14 14 14 PRO PRO H . n C 3 15 SER 15 15 15 SER SER H . n C 3 16 GLN 16 16 16 GLN GLN H . n C 3 17 THR 17 17 17 THR THR H . n C 3 18 LEU 18 18 18 LEU LEU H . n C 3 19 SER 19 19 19 SER SER H . n C 3 20 LEU 20 20 20 LEU LEU H . n C 3 21 THR 21 21 21 THR THR H . n C 3 22 CYS 22 22 22 CYS CYS H . n C 3 23 THR 23 23 23 THR THR H . n C 3 24 VAL 24 24 24 VAL VAL H . n C 3 25 SER 25 25 25 SER SER H . n C 3 26 GLY 26 26 26 GLY GLY H . n C 3 27 ILE 27 27 27 ILE ILE H . n C 3 28 SER 28 28 28 SER SER H . n C 3 29 LEU 29 29 29 LEU LEU H . n C 3 30 SER 30 30 30 SER SER H . n C 3 31 ASP 31 31 31 ASP ASP H . n C 3 32 TYR 32 32 32 TYR TYR H . n C 3 33 GLY 33 33 33 GLY GLY H . n C 3 34 VAL 34 34 34 VAL VAL H . n C 3 35 HIS 35 35 35 HIS HIS H . n C 3 36 TRP 36 36 36 TRP TRP H . n C 3 37 VAL 37 37 37 VAL VAL H . n C 3 38 ARG 38 38 38 ARG ARG H . n C 3 39 GLN 39 39 39 GLN GLN H . n C 3 40 ALA 40 40 40 ALA ALA H . n C 3 41 PRO 41 41 41 PRO PRO H . n C 3 42 GLY 42 42 42 GLY GLY H . n C 3 43 LYS 43 43 43 LYS LYS H . n C 3 44 GLY 44 44 44 GLY GLY H . n C 3 45 LEU 45 45 45 LEU LEU H . n C 3 46 GLU 46 46 46 GLU GLU H . n C 3 47 TRP 47 47 47 TRP TRP H . n C 3 48 MET 48 48 48 MET MET H . n C 3 49 GLY 49 49 49 GLY GLY H . n C 3 50 ILE 50 50 50 ILE ILE H . n C 3 51 ILE 51 51 51 ILE ILE H . n C 3 52 GLY 52 52 52 GLY GLY H . n C 3 53 HIS 53 53 53 HIS HIS H . n C 3 54 ALA 54 54 54 ALA ALA H . n C 3 55 GLY 55 55 55 GLY GLY H . n C 3 56 GLY 56 56 56 GLY GLY H . n C 3 57 THR 57 57 57 THR THR H . n C 3 58 ASP 58 58 58 ASP ASP H . n C 3 59 TYR 59 59 59 TYR TYR H . n C 3 60 ASN 60 60 60 ASN ASN H . n C 3 61 SER 61 61 61 SER SER H . n C 3 62 ASN 62 62 62 ASN ASN H . n C 3 63 LEU 63 63 63 LEU LEU H . n C 3 64 LYS 64 64 64 LYS LYS H . n C 3 65 SER 65 65 65 SER SER H . n C 3 66 ARG 66 66 66 ARG ARG H . n C 3 67 VAL 67 67 67 VAL VAL H . n C 3 68 SER 68 68 68 SER SER H . n C 3 69 ILE 69 69 69 ILE ILE H . n C 3 70 SER 70 70 70 SER SER H . n C 3 71 ARG 71 71 71 ARG ARG H . n C 3 72 ASP 72 72 72 ASP ASP H . n C 3 73 THR 73 73 73 THR THR H . n C 3 74 SER 74 74 74 SER SER H . n C 3 75 LYS 75 75 75 LYS LYS H . n C 3 76 SER 76 76 76 SER SER H . n C 3 77 GLN 77 77 77 GLN GLN H . n C 3 78 VAL 78 78 78 VAL VAL H . n C 3 79 PHE 79 79 79 PHE PHE H . n C 3 80 LEU 80 80 80 LEU LEU H . n C 3 81 LYS 81 81 81 LYS LYS H . n C 3 82 LEU 82 82 82 LEU LEU H . n C 3 83 ASN 83 82 82 ASN ASN H A n C 3 84 SER 84 82 82 SER SER H B n C 3 85 LEU 85 82 82 LEU LEU H C n C 3 86 GLN 86 83 83 GLN GLN H . n C 3 87 GLN 87 84 84 GLN GLN H . n C 3 88 GLU 88 85 85 GLU GLU H . n C 3 89 ASP 89 86 86 ASP ASP H . n C 3 90 THR 90 87 87 THR THR H . n C 3 91 ALA 91 88 88 ALA ALA H . n C 3 92 MET 92 89 89 MET MET H . n C 3 93 TYR 93 90 90 TYR TYR H . n C 3 94 PHE 94 91 91 PHE PHE H . n C 3 95 CYS 95 92 92 CYS CYS H . n C 3 96 ALA 96 93 93 ALA ALA H . n C 3 97 ARG 97 94 94 ARG ARG H . n C 3 98 HIS 98 95 95 HIS HIS H . n C 3 99 PHE 99 96 96 PHE PHE H . n C 3 100 TYR 100 97 97 TYR TYR H . n C 3 101 THR 101 98 98 THR THR H . n C 3 102 TYR 102 99 99 TYR TYR H . n C 3 103 PHE 103 100 100 PHE PHE H . n C 3 104 ASP 104 101 101 ASP ASP H . n C 3 105 VAL 105 102 102 VAL VAL H . n C 3 106 TRP 106 103 103 TRP TRP H . n C 3 107 GLY 107 104 104 GLY GLY H . n C 3 108 GLN 108 105 105 GLN GLN H . n C 3 109 GLY 109 106 106 GLY GLY H . n C 3 110 ILE 110 107 107 ILE ILE H . n C 3 111 GLN 111 108 108 GLN GLN H . n C 3 112 VAL 112 109 109 VAL VAL H . n C 3 113 THR 113 110 110 THR THR H . n C 3 114 VAL 114 111 111 VAL VAL H . n C 3 115 SER 115 112 112 SER SER H . n C 3 116 SER 116 113 113 SER SER H . n C 3 117 ALA 117 114 114 ALA ALA H . n C 3 118 THR 118 115 115 THR THR H . n C 3 119 THR 119 116 116 THR THR H . n C 3 120 THR 120 117 117 THR THR H . n C 3 121 ALA 121 118 118 ALA ALA H . n C 3 122 PRO 122 119 119 PRO PRO H . n C 3 123 SER 123 120 120 SER SER H . n C 3 124 VAL 124 121 121 VAL VAL H . n C 3 125 TYR 125 122 122 TYR TYR H . n C 3 126 PRO 126 123 123 PRO PRO H . n C 3 127 LEU 127 124 124 LEU LEU H . n C 3 128 ALA 128 125 125 ALA ALA H . n C 3 129 PRO 129 126 126 PRO PRO H . n C 3 130 ALA 130 127 127 ALA ALA H . n C 3 131 CYS 131 128 ? ? ? H . n C 3 132 ASP 132 129 ? ? ? H . n C 3 133 SER 133 130 ? ? ? H . n C 3 134 THR 134 131 ? ? ? H . n C 3 135 THR 135 132 ? ? ? H . n C 3 136 SER 136 133 ? ? ? H . n C 3 137 THR 137 134 ? ? ? H . n C 3 138 THR 138 135 ? ? ? H . n C 3 139 ASN 139 136 136 ASN ASN H . n C 3 140 THR 140 137 137 THR THR H . n C 3 141 VAL 141 138 138 VAL VAL H . n C 3 142 THR 142 139 139 THR THR H . n C 3 143 LEU 143 140 140 LEU LEU H . n C 3 144 GLY 144 141 141 GLY GLY H . n C 3 145 CYS 145 142 142 CYS CYS H . n C 3 146 LEU 146 143 143 LEU LEU H . n C 3 147 VAL 147 144 144 VAL VAL H . n C 3 148 LYS 148 145 145 LYS LYS H . n C 3 149 GLY 149 146 146 GLY GLY H . n C 3 150 TYR 150 147 147 TYR TYR H . n C 3 151 PHE 151 148 148 PHE PHE H . n C 3 152 PRO 152 149 149 PRO PRO H . n C 3 153 GLU 153 150 150 GLU GLU H . n C 3 154 PRO 154 151 151 PRO PRO H . n C 3 155 VAL 155 152 152 VAL VAL H . n C 3 156 THR 156 153 153 THR THR H . n C 3 157 VAL 157 154 154 VAL VAL H . n C 3 158 SER 158 156 156 SER SER H . n C 3 159 TRP 159 157 157 TRP TRP H . n C 3 160 ASN 160 162 162 ASN ASN H . n C 3 161 SER 161 163 163 SER SER H . n C 3 162 GLY 162 164 164 GLY GLY H . n C 3 163 ALA 163 165 165 ALA ALA H . n C 3 164 LEU 164 166 166 LEU LEU H . n C 3 165 THR 165 167 167 THR THR H . n C 3 166 SER 166 168 168 SER SER H . n C 3 167 GLY 167 169 169 GLY GLY H . n C 3 168 VAL 168 171 171 VAL VAL H . n C 3 169 HIS 169 172 172 HIS HIS H . n C 3 170 THR 170 173 173 THR THR H . n C 3 171 PHE 171 174 174 PHE PHE H . n C 3 172 PRO 172 175 175 PRO PRO H . n C 3 173 SER 173 176 176 SER SER H . n C 3 174 VAL 174 177 177 VAL VAL H . n C 3 175 LEU 175 178 178 LEU LEU H . n C 3 176 HIS 176 179 179 HIS HIS H . n C 3 177 SER 177 180 180 SER SER H . n C 3 178 GLY 178 183 183 GLY GLY H . n C 3 179 LEU 179 184 184 LEU LEU H . n C 3 180 TYR 180 185 185 TYR TYR H . n C 3 181 SER 181 186 186 SER SER H . n C 3 182 LEU 182 187 187 LEU LEU H . n C 3 183 SER 183 188 188 SER SER H . n C 3 184 SER 184 189 189 SER SER H . n C 3 185 SER 185 190 190 SER SER H . n C 3 186 VAL 186 191 191 VAL VAL H . n C 3 187 THR 187 192 192 THR THR H . n C 3 188 VAL 188 193 193 VAL VAL H . n C 3 189 PRO 189 194 194 PRO PRO H . n C 3 190 SER 190 195 195 SER SER H . n C 3 191 SER 191 196 196 SER SER H . n C 3 192 THR 192 197 197 THR THR H . n C 3 193 TRP 193 198 198 TRP TRP H . n C 3 194 PRO 194 200 200 PRO PRO H . n C 3 195 SER 195 202 202 SER SER H . n C 3 196 GLN 196 203 203 GLN GLN H . n C 3 197 THR 197 205 205 THR THR H . n C 3 198 VAL 198 206 206 VAL VAL H . n C 3 199 THR 199 207 207 THR THR H . n C 3 200 CYS 200 208 208 CYS CYS H . n C 3 201 ASN 201 209 209 ASN ASN H . n C 3 202 VAL 202 210 210 VAL VAL H . n C 3 203 ALA 203 211 211 ALA ALA H . n C 3 204 HIS 204 212 212 HIS HIS H . n C 3 205 PRO 205 213 213 PRO PRO H . n C 3 206 ALA 206 214 214 ALA ALA H . n C 3 207 SER 207 215 215 SER SER H . n C 3 208 SER 208 216 216 SER SER H . n C 3 209 THR 209 217 217 THR THR H . n C 3 210 LYS 210 218 218 LYS LYS H . n C 3 211 VAL 211 219 219 VAL VAL H . n C 3 212 ASP 212 220 220 ASP ASP H . n C 3 213 LYS 213 221 221 LYS LYS H . n C 3 214 LYS 214 222 222 LYS LYS H . n C 3 215 ILE 215 223 223 ILE ILE H . n C 3 216 VAL 216 226 226 VAL VAL H . n C 3 217 PRO 217 227 227 PRO PRO H . n C 3 218 GLY 218 228 228 GLY GLY H . n C 3 219 ASP 219 229 ? ? ? H . n C 3 220 GLY 220 230 ? ? ? H . n C 3 221 SER 221 231 ? ? ? H . n C 3 222 GLY 222 232 ? ? ? H . n C 3 223 CYS 223 233 ? ? ? H . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 61 A ASN 59 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 71 A ASN 69 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 107 A ASN 105 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K # 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)' 7600 ? 1 MORE -3 ? 1 'SSA (A^2)' 30250 ? # _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 2011-02-23 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _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 'Version format compliance' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -12.5149 -56.1071 -16.8211 -0.3665 -0.1701 -0.1724 0.0280 0.1070 0.1443 1.5050 2.4240 10.2021 0.5942 0.9868 1.1792 -0.0529 0.0418 0.1473 0.0031 -0.0079 0.1462 -0.1466 -0.2387 0.0608 'X-RAY DIFFRACTION' 2 ? refined -5.6331 -33.7413 0.5488 -0.0436 -0.2858 -0.0688 0.1246 0.3070 0.1071 2.6507 3.3178 9.8766 0.5765 -0.0901 1.6832 0.0128 -0.1190 0.6009 0.5917 0.2106 0.2432 -0.6346 -0.5688 -0.2234 'X-RAY DIFFRACTION' 3 ? refined 17.2230 -32.6237 -15.4424 -0.1259 -0.4429 -0.2979 -0.0557 0.0436 0.1665 9.8096 5.7129 4.1553 -0.6537 -0.5405 1.6498 0.3146 0.0910 0.2245 0.9550 -0.1948 -0.4588 -0.2309 0.2154 -0.1198 'X-RAY DIFFRACTION' 4 ? refined 37.3773 -44.5855 -46.8504 -0.0998 0.0049 0.2463 -0.2063 -0.0456 -0.2318 4.1748 3.1922 10.7383 -1.1067 0.9896 0.2780 -0.2815 0.3348 0.0557 0.0747 0.2846 -0.7796 0.0447 0.4010 -0.0031 'X-RAY DIFFRACTION' 5 ? refined 3.8831 -28.0776 -32.5630 -0.3827 -0.0704 -0.1319 0.0968 0.0882 0.1896 5.2108 2.7162 9.9330 0.4218 -2.2213 -2.1499 -0.1844 0.9078 0.3616 0.0830 0.4035 0.4913 -0.2921 -0.4859 -0.2191 'X-RAY DIFFRACTION' 6 ? refined 21.3906 -47.0282 -48.0561 -0.1260 0.3302 -0.2074 -0.2723 -0.0708 -0.0431 4.1028 10.0859 4.0864 -1.8901 0.5612 -0.2781 0.0692 0.1445 -0.5480 -0.1619 0.2135 -0.2191 0.3971 -0.2934 -0.2827 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 8 ? ? A 121 ? ? ? ? 'X-RAY DIFFRACTION' 2 1 A 301 ? ? A 506 ? ? ? ? 'X-RAY DIFFRACTION' 3 2 A 122 ? ? A 236 ? ? ? ? 'X-RAY DIFFRACTION' 4 3 L 2 ? ? L 108 ? ? ? ? 'X-RAY DIFFRACTION' 5 4 L 109 ? ? L 212 ? ? ? ? 'X-RAY DIFFRACTION' 6 5 H 1 ? ? H 113 ? ? ? ? 'X-RAY DIFFRACTION' 7 6 H 114 ? ? H 228 ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal PHASER phasing . ? 1 REFMAC refinement 5.4.0069 ? 2 HKL-2000 'data reduction' . ? 3 HKL-2000 'data scaling' . ? 4 # 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 SER A 9 ? ? -160.95 110.83 2 1 CYS A 25 ? ? -160.24 84.56 3 1 GLN A 28 ? ? -39.49 116.42 4 1 ASP A 45 ? ? -133.31 -156.39 5 1 GLU A 106 ? ? 83.08 -9.01 6 1 ARG A 124 ? ? 78.26 -4.62 7 1 LYS A 150 ? ? -170.90 140.18 8 1 SER A 156 ? ? -160.72 103.07 9 1 ASN A 186 ? ? 75.42 -14.95 10 1 VAL L 13 ? ? -176.76 130.57 11 1 ASP L 51 ? ? 66.29 -55.21 12 1 SER L 90 ? ? -164.89 -154.18 13 1 THR L 94 ? ? -97.83 -76.64 14 1 ALA L 142 ? ? -84.63 47.36 15 1 ALA L 150 ? ? -160.32 102.07 16 1 THR L 156 ? ? -106.92 -60.64 17 1 ASN L 190 ? ? -49.71 -78.18 18 1 ASP H 31 ? ? -140.64 13.69 19 1 SER H 65 ? ? 93.95 14.11 20 1 GLN H 83 ? ? -113.03 -161.05 21 1 TYR H 97 ? ? 43.55 -90.72 22 1 ALA H 214 ? ? -48.82 -71.96 23 1 SER H 216 ? ? 71.21 30.26 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 LYS L 166 ? ? SER L 168 ? ? 145.65 2 1 GLU H 85 ? ? ASP H 86 ? ? 148.67 # 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 ARG -1 ? A ARG 1 2 1 Y 1 A SER 0 ? A SER 2 3 1 Y 1 A GLN 1 ? A GLN 3 4 1 Y 1 A GLY 2 ? A GLY 4 5 1 Y 1 A LEU 3 ? A LEU 5 6 1 Y 1 A PRO 4 ? A PRO 6 7 1 Y 1 A GLY 5 ? A GLY 7 8 1 Y 1 A LEU 6 ? A LEU 8 9 1 Y 1 A THR 7 ? A THR 9 10 1 Y 1 A GLU 237 ? A GLU 239 11 1 Y 1 A PHE 238 ? A PHE 240 12 1 Y 1 A GLN 239 ? A GLN 241 13 1 Y 1 A ARG 240 ? A ARG 242 14 1 Y 1 A THR 241 ? A THR 243 15 1 Y 1 A ILE 242 ? A ILE 244 16 1 Y 1 A SER 243 ? A SER 245 17 1 Y 1 A PRO 244 ? A PRO 246 18 1 Y 1 A THR 245 ? A THR 247 19 1 Y 1 A PRO 246 ? A PRO 248 20 1 Y 1 A PRO 247 ? A PRO 249 21 1 Y 1 A THR 248 ? A THR 250 22 1 Y 1 A ASP 249 ? A ASP 251 23 1 Y 1 A LYS 250 ? A LYS 252 24 1 Y 1 A GLY 251 ? A GLY 253 25 1 Y 1 A GLN 252 ? A GLN 254 26 1 Y 1 A GLN 253 ? A GLN 255 27 1 Y 1 A GLY 254 ? A GLY 256 28 1 Y 1 A ILE 255 ? A ILE 257 29 1 Y 1 A LEU 256 ? A LEU 258 30 1 Y 1 A ASN 257 ? A ASN 259 31 1 Y 1 A GLY 258 ? A GLY 260 32 1 Y 1 A ASN 259 ? A ASN 261 33 1 Y 1 A GLN 260 ? A GLN 262 34 1 Y 1 A HIS 261 ? A HIS 263 35 1 Y 1 A HIS 262 ? A HIS 264 36 1 Y 1 A HIS 263 ? A HIS 265 37 1 Y 1 A HIS 264 ? A HIS 266 38 1 Y 1 A HIS 265 ? A HIS 267 39 1 Y 1 A HIS 266 ? A HIS 268 40 1 Y 1 L SER 1 ? B SER 1 41 1 Y 1 L ALA 213 ? B ALA 211 42 1 Y 1 L CYS 214 ? B CYS 212 43 1 Y 1 L SER 215 ? B SER 213 44 1 Y 1 H CYS 128 ? C CYS 131 45 1 Y 1 H ASP 129 ? C ASP 132 46 1 Y 1 H SER 130 ? C SER 133 47 1 Y 1 H THR 131 ? C THR 134 48 1 Y 1 H THR 132 ? C THR 135 49 1 Y 1 H SER 133 ? C SER 136 50 1 Y 1 H THR 134 ? C THR 137 51 1 Y 1 H THR 135 ? C THR 138 52 1 Y 1 H ASP 229 ? C ASP 219 53 1 Y 1 H GLY 230 ? C GLY 220 54 1 Y 1 H SER 231 ? C SER 221 55 1 Y 1 H GLY 232 ? C GLY 222 56 1 Y 1 H CYS 233 ? C CYS 223 # 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 ALPHA-L-FUCOSE FUC # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code D 4 NAG 1 301 301 NAG NAG A . E 4 NAG 1 401 401 NAG NAG A . F 4 NAG 1 501 501 NAG NAG A . G 4 NAG 2 502 502 NAG NAG A . H 5 BMA 3 503 503 BMA BMA A . I 6 MAN 4 504 504 MAN MAN A . J 6 MAN 5 505 505 MAN MAN A . K 7 FUC 6 506 506 FUC FUC A . #